*HEADER   NEUROTOXIN                              05-APR-93   1NOR    
*COMPND   NEUROTOXIN II (NMR, 19 STRUCTURES)                          
*SOURCE   SNAKE (NAJA NAJA OXIANA) VENOM                              
*AUTHOR   A.P.GOLOVANOV,Y.N.UTKIN,A.L.LOMIZE,V.I.TSETLIN,A.S.ARSENIEV 
*REVDAT  1   31-OCT-93 1NOR    0                                      

# EXPERIMENTAL DATA AND UPPER LIMIT DISTANCE AND DIHEDRAL ANGLE RESTRAINTS
# FOR NEUROTOXIN II FROM THE NAJA NAJA OXIANA SNAKE VENOM. 
# 
# PDB ENTRY *1NT2*                                        05-APR-1993
# 
# AUTH. A.P.GOLOVANOV, Y.N.UTKIN, A.L.LOMIZE, V.I.TSETLIN, A.S.ARSENIEV
# JRNL        AUTH   A.P.GOLOVANOV,A.L.LOMIZE,A.S.ARSENIEV,
# JRNL        AUTH 2 Y.N.UTKIN,V.I.TSETLIN
# JRNL        TITL   TWO-DIMENSONAL ==1==*H /NMR$ STUDY OF THE SPATIAL          
# JRNL        TITL 2 STRUCTURE OF NEUROTOXIN II FROM NAJA $NAJA $OXIANA
# JRNL        REF    EUR. J. BIOCHEM.              V. 000   000 1993           
#   
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I.	THIS SECTION CONTAINS EXPERIMENTAL DATA: INTENSITIES OF NOESY
	CROSS-PEAKS (MIXING TIME 100 ms) IN MARDIGRAS-INPUT-FILE FORMAT,
	DEUTERIUM EXCHANGE RATES OF AMIDE PROTONS AND MEASURED
	VICINAL HN-CAH COUPLING CONSTANTS
-------------------------------------------------------------------------
HEADER  Input cross-peak intensities for MARDIGRAS program
REMARK CORRELATION TIME: ISOTROPIC       4.000nsec 
MIXING TIME:  0.100 
REMARK This file contain experimental data                
ATOM1   ATOM2    INTENSITY 
HA    1 QB    1   0.0411075 
HA    1 MD1   1   0.0282024 
HA    1 MD2   1   0.0494595 
HA    1 HN    2   0.0665442 
HG    1 HB2  57   0.0714069 
MD2   1 HN    2   0.0313299 
MD1   1 HB1  17   0.0144837 
MD1   1 HN   22   0.0127062 
MD2   1 HA   22   0.0209106 
MD1   1 HA   22   0.0291150 
MD1   1 HN   23   0.0083025 
MD2   1 HA   55   0.0115191 
MD1   1 HA   55   0.0094482 
MD2   1 HA   56   0.0247518 
MD1   1 HA   56   0.0049113 
MD2   1 HN   57   0.0113292 
MD2   1 HA   57   0.0539145 
MD1   1 HA   57   0.0124560 
MD2   1 HN   58   0.0065520 
MD2   1 HN   59   0.0006390 
HN    2 QB    2   0.0083655 
HA    2 HG2   2   0.0099189 
HA    2 HG1   2   0.0225504 
HA    2 HN    3   0.1119708 
HA    2 HA   16   0.0956484 
HG1   2 HN    3   0.0077562 
HG1   2 HB   14   0.0076563 
HG2   2 HB   14   0.0141399 
HG1   2 HA   16   0.0132462 
HN    3 HA    3   0.0002016 
HN    3 HB1   3   0.0253539 
HN    3 MG2  14   0.0079461 
HA    3 HB1   3   0.0200394 
HA    3 HB2   3   0.0338454 
HA    3 HN    4   0.0350046 
HA    3 HD2   4   0.0036774 
HA    3 HN   58   0.0146385 
HA    3 HA   58   0.0326691 
HB2   3 HN    4   0.0143217 
HB2   3 HN22 60   0.0317025 
HB1   3 HN22 60   0.0126810 
HB2   3 HN21 60   0.0035334 
HN    4 HA    4   0.0055197 
HN    4 HB1   4   0.0255690 
HN    4 HD2   4   0.0068310 
HN    4 HN22 60   0.0154152 
HN    4 HN   60   0.0012681 
HA    4 HB1   4   0.0176292 
HA    4 HB2   4   0.0335925 
HA    4 HN    5   0.0385155 
HA    4 HN    6   0.0022329 
HA    4 HA   14   0.1261350 
HA    4 HB   14   0.0092583 
HB1   4 HN    5   0.0020295 
HB2   4 HN    5   0.0075231 
HB1   4 HN    6   0.0013752 
HB2   4 HN22 60   0.0033372 
HD2   4 HA    4   0.0042876 
HD2   4 HB1   4   0.0137016 
HD2   4 MG2  14   0.0056043 
HD2   4 HB1  58   0.0121428 
HD2   4 HB2  58   0.0045378 
HD2   4 HG1  58   0.0033831 
HD2   4 HD1  58   0.0026181 
HD2   4 HN   60   0.0182142 
HD2   4 HA   61   0.0218583 
HD2   4 HB1  61   0.0110070 
HD2   4 HB2  61   0.0078255 
HE1   4 QB   12   0.0332604 
HE1   4 MG2  14   0.0104769 
HE1   4 HG1  58   0.0043137 
HE1   4 HD2  58   0.0103824 
HE1   4 HD1  58   0.0051687 
HN21  5 HB2   5   0.0222300 
HN    5 HB1   5   0.0083799 
HN22  5 HB2   5   0.0065781 
HN    5 HB2   5   0.0049176 
HN21  5 HB1   5   0.0089883 
HN    5 HN    6   0.0532458 
HN    5 QG    6   0.0076734 
HN22  5 HB2  15   0.0096516 
HN21  5 HB2  15   0.0081693 
HA    5 HB2   5   0.0490455 
HA    5 HB1   5   0.0497610 
HN21  6 HN22  6   0.1982862 
HN    6 QB    6   0.0208548 
HN22  6 QB    6   0.0124533 
HN21  6 QB    6   0.0186309 
HN    6 QG    6   0.0223101 
HN22  6 QG    6   0.0083970 
HN21  6 QG    6   0.0209961 
HN21  6 HA   12   0.0052362 
HN22  6 HA   12   0.0141579 
HN    6 HN   13   0.0070155 
HN21  6 QD   38   0.0035037 
HN22  6 HD2  58   0.0052308 
HA    6 HN    7   0.0775152 
QB    6 HN    7   0.0410391 
QB    6 HN   10   0.0086085 
QB    6 HA   12   0.0132192 
QG    6 HA   12   0.0376200 
QG    6 HN   13   0.0265041 
HN    7 HB1   7   0.0285183 
HN    7 HB2   7   0.0136152 
HA    7 HB1   7   0.0280710 
HA    7 HA   37   0.0203193 
HB1   7 HN    8   0.0034344 
HN    8 HA    8   0.0436023 
HN    8 HB1   8   0.0091665 
HN    8 HB2   8   0.0041742 
HN    8 HN   36   0.0141723 
HN    8 HB   36   0.0245682 
HN    8 HG11 36   0.0027243 
HA    8 HN    9   0.0161874 
HA    8 HN   36   0.0131247 
HA    8 HB   36   0.0581958 
HA    8 HG11 36   0.0202923 
HA    8 MG2  36   0.0231786 
HA    8 MD1  36   0.0129330 
HB2   8 HA    8   0.0286866 
HB2   8 HN    9   0.0703107 
HN    9 HA    9   0.0203913 
HN    9 HN   10   0.0403569 
HN    9 HG2  10   0.0059085 
HA    9 HB1   9   0.0303363 
HA    9 HN   10   0.0103743 
HB1   9 HA    9   0.0105444 
HN   10 HA   10   0.0290484 
HN   10 HB1  10   0.0400527 
HN   10 HG1  10   0.0211545 
HN22 10 HG2  10   0.0031176 
HN22 10 HG1  10   0.0046629 
HA   10 HB2  10   0.0380295 
HA   10 HG2  10   0.0167742 
HA   10 HG1  10   0.0229797 
HA   10 HG2  11   0.0298125 
HA   10 HD2  11   0.0568782 
HA   10 HD1  11   0.0424944 
HB2  10 HD2  11   0.0287928 
HB2  10 HD1  11   0.0456822 
HG1  10 HD2  11   0.0064881 
HA   11 HB2  11   0.0312957 
HA   11 HB1  11   0.0056745 
HA   11 HG1  11   0.0066024 
HA   11 HD1  12   0.0456336 
HB2  11 HD1  12   0.0142857 
HD1  11 HB1  11   0.0140211 
HD1  11 HB2  11   0.0145512 
HD1  11 HG2  11   0.0227655 
HD1  11 HG1  11   0.0353295 
HD2  11 HG1  11   0.0226566 
HD2  11 HG2  11   0.0629793 
HA   12 HG2  12   0.0015822 
HA   12 HN   13   0.0881037 
QB   12 HN   13   0.0197901 
HD2  12 HG2  12   0.0560259 
HD1  12 HG2  12   0.0302553 
HN   13 MG2  13   0.0141651 
HA   13 MG2  13   0.0913320 
HB   13 HN   14   0.0286578 
HN   14 HB   14   0.0141696 
HN   14 MG2  14   0.0130275 
HA   14 HB   14   0.0396360 
HA   14 MG2  14   0.0519687 
HB   14 MG2  14   0.0538875 
HB   14 HN   15   0.0244107 
MG2  14 HN   15   0.0154584 
MG2  14 HNE  58   0.0032346 
HN   15 HA   15   0.0160209 
HA   15 HB2  15   0.0544806 
HA   15 QG   15   0.0169794 
HA   15 HN   16   0.0388512 
HB2  15 HN   16   0.0388341 
HN   16 HB   16   0.0437940 
HB   16 HN   17   0.0072288 
HN   17 HB1  17   0.0370800 
HN   17 HB2  17   0.0112977 
HA   17 HB2  17   0.0359649 
HA   17 HB1  17   0.0213759 
HA   17 HN   18   0.0065241 
HB2  17 HN   18   0.0099324 
HB1  17 HN   18   0.0050067 
HB2  17 HG2  20   0.0188730 
HN   18 HA   18   0.0085365 
HN   18 HB1  18   0.0160992 
HN   18 HB2  18   0.0095832 
HA   18 HB2  18   0.0319410 
HA   18 HB1  18   0.0297585 
HA   18 HN   19   0.0439839 
HN   19 HA2  19   0.0345222 
HN   19 HA1  19   0.0164241 
HN   19 HN   20   0.0161784 
HA2  19 HN   20   0.0081684 
HA   20 HG1  20   0.0470367 
QB   20 HN   41   0.0042147 
HG1  20 HN   21   0.0095697 
HG2  20 HN   41   0.0093915 
HG1  20 HN   41   0.0102420 
HG2  20 HA1  41   0.0206712 
HN   21 MG2  21   0.0297801 
HB   21 HN21 22   0.0046620 
HN21 22 HA   22   0.0063792 
HN   22 HA   22   0.0055503 
HN22 22 HA   22   0.0117774 
HN21 22 HB1  22   0.0181827 
HN21 22 HB2  22   0.0040365 
HN22 22 HB1  22   0.0065178 
HN   22 HB2  22   0.0068130 
HN21 22 HB1  42   0.0030249 
HN22 22 HB1  42   0.0035514 
HA   22 HB1  22   0.0206127 
HA   22 HB2  22   0.0514710 
HA   22 HN   23   0.0732600 
HA   22 HN   54   0.0018126 
HA   22 HA   55   0.0650781 
HA   22 HB2  55   0.0028674 
HA   22 HG2  55   0.0108828 
HA   22 HG1  55   0.0043002 
HB1  22 HN   23   0.0069111 
HB2  22 HN   23   0.0310581 
HB1  22 HN   42   0.0021168 
HB2  22 HB2  53   0.0252792 
HB2  22 HN   54   0.0058518 
HN   23 HA   23   0.0131454 
HN   23 HA   53   0.0014715 
HN   23 HA   55   0.0064080 
HA   23 HB1  23   0.0166437 
HA   23 HB2  23   0.0374913 
HA   23 HN   24   0.0616419 
HA   23 HA   40   0.0408114 
HA   23 HB2  40   0.0046899 
HA   23 HN   41   0.0248769 
HB2  23 HN   24   0.0215064 
HB2  23 HN22 60   0.0123741 
HB2  23 HN21 60   0.0106425 
HB1  23 HN22 60   0.0129096 
HN   24 HA   24   0.0292545 
HN   24 HG1  38   0.0009423 
HN   24 HA   40   0.0032166 
HA   24 HB2  24   0.0650574 
HA   24 HB1  24   0.0498888 
HA   24 QB   25   0.0098856 
HA   24 HN   52   0.0028413 
HA   24 HN   53   0.0106317 
HA   24 HA   53   0.0553383 
HA   24 HN   54   0.0072963 
HB1  24 HN   25   0.0256131 
HB2  24 HN   25   0.0111951 
HB2  24 HA   42   0.0329364 
HB2  24 HD1  43   0.0143973 
HB2  24 HA   53   0.0106047 
HB1  24 HA   53   0.0076752 
RD   24 HB2  24   0.0517572 
RD   24 HB1  24   0.0503802 
RD   24 HA   25   0.0134244 
RD   24 HN   26   0.0212949 
RD   24 QB   26   0.0423801 
RD   24 HB2  37   0.0087687 
RD   24 HB1  37   0.0091845 
RD   24 HN   41   0.0072252 
RD   24 HA2  41   0.0037017 
RD   24 HG1  43   0.0119376 
RD   24 HD1  43   0.0317232 
HN   25 QB   52   0.0095265 
HN   25 HA   53   0.0084348 
HN   25 HN   54   0.0047628 
HA   25 HG1  25   0.0389412 
HA   25 HA   38   0.0571275 
HA   25 HN   39   0.0110790 
HG1  25 HN   26   0.0094176 
HG1  25 HZ3  27   0.0109944 
HG2  25 HZ3  27   0.0039159 
HG2  25 HNE  38   0.0044478 
QE   25 HG1  25   0.0423405 
QE   25 HZ3  27   0.0039699 
QE   25 HN   61   0.0381744 
HN   26 HA   26   0.0127548 
HN   26 MG2  36   0.0063063 
HN   26 HN   37   0.0154530 
HN   26 HG1  38   0.0017019 
HA   26 HA   51   0.0548073 
HA   26 HB1  51   0.0069669 
HA   26 HN   52   0.0141444 
QB   26 HE3  28   0.0062361 
QG   26 HH2  28   0.0036999 
QG   26 HA   38   0.0219204 
HN   27 HB1  27   0.0045441 
HNE1 27 HD1  27   0.0522963 
HNE1 27 HZ2  27   0.0260658 
HN   27 HN   50   0.0113463 
HNE1 27 HN22 50   0.0057951 
HN   27 HB1  50   0.0112113 
HNE1 27 HB2  50   0.0025380 
HN   27 HB2  50   0.0112779 
HNE1 27 HB1  50   0.0021789 
HA   27 HB1  27   0.0567918 
HA   27 HB2  27   0.0493614 
HA   27 HN   28   0.0718569 
HA   27 HE3  28   0.0264699 
HA   27 HA   36   0.0416223 
HA   27 HN   37   0.0104085 
HB2  27 HN   28   0.0245610 
HB2  27 MG2  34   0.0295110 
HB1  27 HA   36   0.0222534 
HD1  27 HB1  27   0.0203094 
HD1  27 HB2  27   0.0095265 
HD1  27 HA   28   0.0018837 
HD1  27 HB   34   0.0016470 
HD1  27 MG2  34   0.0260946 
HD1  27 HN22 50   0.0149364 
HD1  27 HB1  50   0.0025047 
HD1  27 HB2  50   0.0037800 
HE3  27 HB2  27   0.0245700 
HZ3  27 HA   51   0.0078444 
HZ3  27 HN   52   0.0248517 
HZ3  27 HA   52   0.0056556 
HZ2  27 QB   52   0.0075510 
HZ3  27 QB   52   0.0328635 
HNE1 28 HN   28   0.0020772 
HN   28 HB2  28   0.0041760 
HNE1 28 HD1  28   0.0534996 
HN   28 HE3  28   0.0169839 
HNE1 28 HZ2  28   0.0298800 
HNE1 28 HB1  30   0.0056655 
HNE1 28 HB2  30   0.0035424 
HNE1 28 HG11 35   0.0104445 
HNE1 28 MG2  35   0.0040275 
HNE1 28 MD1  35   0.0026343 
HN   28 HN   37   0.0030456 
HA   28 HB1  28   0.0873090 
HA   28 HB2  28   0.0432315 
HA   28 MG1  49   0.0040635 
HA   28 HN21 50   0.0037125 
HB2  28 HA   49   0.0178029 
HB1  28 HA   49   0.0097866 
HB1  28 MG2  49   0.0188955 
HB2  28 MG2  49   0.0228186 
HB1  28 MG1  49   0.0108963 
HB2  28 MG1  49   0.0270297 
HB2  28 HN   50   0.0054063 
HD1  28 HA   28   0.0043218 
HD1  28 HB1  28   0.0272367 
HD1  28 HB2  28   0.0137952 
HD1  28 HB1  30   0.0068427 
HD1  28 MG2  35   0.0075744 
HE3  28 HB1  28   0.0105228 
HE3  28 HB2  28   0.0216576 
HE3  28 MG2  49   0.0110556 
HZ2  28 HB   35   0.0068355 
HZ2  28 MG2  35   0.0205551 
HZ2  28 HG11 35   0.0125874 
HH2  28 MG2  35   0.0248454 
HH2  28 HB1  37   0.0067122 
HA   29 HB2  29   0.0331884 
HA   29 HB1  29   0.0243612 
HA   29 HA   34   0.0980874 
HB1  29 HN   30   0.0012384 
HN   30 HN   33   0.0142650 
HA   30 HB1  30   0.0552240 
HA   30 HB2  30   0.0409815 
HA   30 HN   31   0.0066564 
HB2  30 HN   31   0.0313488 
HB1  30 HN   31   0.0134055 
HN   31 HA   31   0.0331434 
HN   31 QB   31   0.0068373 
HN   31 HN   32   0.0183708 
HA   31 QB   31   0.0383886 
HA   31 HN   32   0.0097236 
HA   31 HN   33   0.0038574 
QB   31 HN   32   0.1881207 
HD2  31 QB   31   0.0042858 
HN   32 HA   32   0.0278487 
HNE  32 HB1  32   0.0111888 
HN   32 HB1  32   0.0245286 
HNE  32 HB2  32   0.0024066 
HN   32 HB2  32   0.0099000 
HN   32 HG1  32   0.0164043 
HNE  32 HG1  32   0.0091530 
HNE  32 HG2  32   0.0032913 
HN   32 HG2  32   0.0087408 
HNE  32 QD   32   0.0117603 
HN   32 HN   33   0.0384759 
HA   32 HB1  32   0.0229464 
HA   32 HG2  32   0.0184806 
HA   32 HG1  32   0.0098109 
HA   32 HN   33   0.0193104 
HB2  32 HN   33   0.0127197 
HN   33 HA1  33   0.0264681 
HN   33 HA2  33   0.0244251 
HA2  33 HN   34   0.0419409 
HA1  33 HN   34   0.0345591 
HN   34 HA   34   0.0062892 
HN   34 HB   34   0.0336591 
HA   34 HB   34   0.0235647 
HB   34 MG2  34   0.0677799 
HN   35 MG2  35   0.0099711 
HA   35 HB   35   0.0172458 
HA   35 HG12 35   0.0161892 
HA   35 HG11 35   0.0201492 
HA   35 MG2  35   0.0462240 
HA   35 HN   36   0.0999720 
HB   35 HN   36   0.0025605 
MG2  35 HB   35   0.0260208 
MG2  35 HN   36   0.0289683 
MD1  35 MG2  35   0.0306009 
HN   36 HA   36   0.0155655 
HN   36 HB   36   0.0136917 
HN   36 MD1  36   0.0112662 
MG2  36 HA   37   0.0076275 
HN   37 HA   37   0.0086967 
HN   37 HB2  37   0.0165888 
HA   37 HB2  37   0.0360000 
HA   37 HG1  37   0.0230400 
HA   37 HN   38   0.0402993 
HB2  37 HN   38   0.0126495 
HG1  37 HN   38   0.0069435 
HN   38 HG1  38   0.0191646 
HNE  38 QD   38   0.1467711 
HNE  38 HA   61   0.0302373 
HA   38 HN   39   0.0563886 
QB   38 HN22 60   0.0061947 
QB   38 HN21 60   0.0025776 
HG1  38 HN   61   0.0172926 
HN   39 HN22 60   0.0202698 
HN   39 HN21 60   0.0273258 
HN   40 HA   40   0.0159480 
HN   40 HB1  40   0.0512541 
HA   40 HN   41   0.0723816 
HB2  40 HN   41   0.0198504 
HB1  40 HN   41   0.0048951 
HN   41 HA2  41   0.0192780 
HN   41 HA1  41   0.0303822 
HN   41 HN   42   0.0032904 
HA2  41 HN   42   0.0428328 
HA1  41 HN   42   0.0275265 
HN   42 HA   42   0.0118656 
HN   42 HB1  42   0.0041220 
HN   42 HB2  42   0.0127863 
HN   42 HD2  43   0.0074934 
HN   42 HD1  43   0.0074313 
HA   42 HB1  42   0.0345690 
HA   42 HD1  43   0.0431658 
HA   42 HD2  43   0.0861264 
HB2  42 HB2  53   0.0056412 
HB1  42 HB2  53   0.0281781 
HA   43 HB1  43   0.0645111 
HA   43 HB2  43   0.0456372 
HA   43 HG2  43   0.0032895 
HA   43 HD2  43   0.0114831 
HA   43 HD1  43   0.0108990 
HA   43 HN   44   0.0869499 
HB2  43 HG2  43   0.0442035 
HB1  43 HG2  43   0.0098037 
HB1  43 HG1  43   0.0388764 
HB1  43 HN   44   0.0131418 
HD2  43 HG2  43   0.0465876 
HD2  43 HG1  43   0.0279144 
HD1  43 HG2  43   0.0284535 
HD1  43 HG1  43   0.0496206 
HN   44 HA   44   0.0225117 
HN   44 HG1  44   0.0073782 
HN   44 HG2  44   0.0071298 
HA   44 HG1  44   0.0158211 
HA   44 HG2  44   0.0100755 
HA   44 HN   45   0.1379106 
HG1  44 HN   45   0.0043047 
HN   45 HA   45   0.0169749 
HA   45 HN   46   0.0901809 
HN   46 HA   46   0.0143172 
HN   46 QB   46   0.0344646 
HN   46 HG2  46   0.0107811 
HN   46 HG1  46   0.0181206 
HN   46 MG2  49   0.0105993 
HN   46 MG1  49   0.0046539 
HA   46 QB   46   0.0366678 
HA   46 HG1  46   0.0203031 
HA   46 HG2  46   0.0365778 
QB   46 HD1  47   0.0259002 
HG2  46 HD1  47   0.0399519 
HG2  46 HD2  47   0.0175068 
HA   47 HB1  47   0.0301077 
HA   47 HN   48   0.0902844 
HA   47 HN   49   0.0137619 
HB1  47 HN   48   0.0027387 
HB2  47 HN   48   0.0042777 
HD2  47 HB1  47   0.0033462 
HD1  47 HB1  47   0.0162099 
HD2  47 HG2  47   0.0177426 
HD1  47 HG2  47   0.0413361 
HN   48 HA1  48   0.0479772 
HN   48 HN   49   0.0330543 
HA2  48 HN   49   0.0172188 
HA1  48 HN   49   0.0173070 
HN   49 HA   49   0.0321642 
HN   49 HB   49   0.0610353 
HN   49 MG1  49   0.0177426 
HN   49 MG2  49   0.0406557 
HA   49 HB   49   0.0235233 
HA   49 MG1  49   0.0464472 
HA   49 MG2  49   0.0663372 
HA   49 HN   50   0.0846189 
MG1  49 HN   50   0.0420786 
MG2  49 HN   50   0.0131472 
HN   50 HN22 50   0.0159201 
HN21 50 HN22 50   0.2127942 
HN   50 HA   50   0.0200754 
HN   50 HB1  50   0.0319851 
HN21 50 HB1  50   0.0097110 
HN21 50 HB2  50   0.0035019 
HA   50 HB1  50   0.0260766 
HA   50 HB2  50   0.0482355 
HA   50 HN   51   0.1028592 
HB1  50 HN   51   0.0039933 
HB2  50 HN   51   0.0211698 
HN   51 HA   51   0.0139194 
HN   51 HB1  51   0.0210834 
HN   51 HB2  51   0.0131553 
HN   51 HN   52   0.0029754 
HA   51 HB1  51   0.0388143 
HA   51 HB2  51   0.0249354 
HA   51 HG   51   0.0162657 
HA   51 HN   52   0.0794439 
HN21 52 HA   52   0.0050904 
HN   52 HA   52   0.0231003 
HN21 52 QB   52   0.0033543 
HN   52 QB   52   0.0290403 
HA   52 HN   53   0.1052946 
QB   52 HN   53   0.0108414 
HN   53 HA   53   0.0110934 
HN   53 HB1  53   0.0253017 
HN   53 HB2  53   0.0087201 
HA   53 HB2  53   0.0483768 
HA   53 HB1  53   0.0262260 
HA   53 HN   54   0.0649377 
HB2  53 HN   54   0.0168786 
HB1  53 HN   54   0.0080325 
HN   54 HA   54   0.0250326 
HA   54 HB1  54   0.0469161 
HA   54 HB2  54   0.0582039 
HA   54 HN   55   0.0794565 
HA   54 HG2  55   0.0078615 
HB2  54 HN   55   0.0217827 
HB1  54 HN   55   0.0330768 
HB1  54 HN   56   0.0052389 
HN   55 HA   55   0.0111933 
HN   55 HB1  55   0.0282816 
HN   55 HB2  55   0.0168201 
HNE  55 HG2  55   0.0110313 
HN   55 HG1  55   0.0143019 
HN   55 HG2  55   0.0337923 
HNE  55 HG1  55   0.0029142 
HNE  55 QD   55   0.0221715 
HN   55 HN   56   0.0313461 
HA   55 HB2  55   0.0477693 
HA   55 HG2  55   0.0312336 
HA   55 HG1  55   0.0130419 
HA   55 HN   56   0.0160677 
QD   55 HB2  55   0.0156096 
QD   55 HG2  55   0.0260640 
QD   55 HG1  55   0.0282753 
HN   56 HA   56   0.0149139 
HN   56 HB   56   0.0031824 
HN   56 MG2  56   0.0308538 
HN   56 HB1  59   0.0061344 
HN   56 HB2  59   0.0229050 
HA   56 HB   56   0.0740619 
HA   56 MG2  56   0.0755172 
HA   56 HN   57   0.0155250 
HB   56 MG2  56   0.0934443 
HB   56 HN   57   0.0370872 
MG2  56 HN   57   0.0092619 
HN   57 HB2  57   0.0098064 
HN   57 HB1  57   0.0334125 
HN   57 HN   58   0.0051642 
HA   57 HB1  57   0.0309087 
HA   57 HN   58   0.0500319 
HB1  57 HN   58   0.0046521 
HN   58 HA   58   0.0728937 
HN   58 HB2  58   0.0046107 
HN   58 HB1  58   0.0074790 
HNE  58 HB1  58   0.0064962 
HNE  58 HB2  58   0.0062658 
HNE  58 HG2  58   0.0034488 
HNE  58 HG1  58   0.0043272 
HN   58 HG1  58   0.0095463 
HNE  58 HD2  58   0.0067374 
HNE  58 HD1  58   0.0209160 
HN   58 HN   59   0.0124191 
HA   58 HB2  58   0.0246924 
HA   58 HG1  58   0.0258561 
HA   58 HN   59   0.0161262 
HB2  58 HN   59   0.0016101 
HB1  58 HN   59   0.0015264 
HD1  58 HG1  58   0.0218475 
HD2  58 HG2  58   0.0220302 
HD2  58 HG1  58   0.0355095 
HN   59 HA   59   0.0278829 
HN   59 HB1  59   0.0137106 
HN   59 HB2  59   0.0293247 
HN   59 HN   60   0.0185490 
HA   59 HB1  59   0.0466668 
HA   59 HB2  59   0.0603099 
HA   59 HN   60   0.0065763 
HA   59 HN   61   0.0018315 
HN21 60 HN22 60   0.1276344 
HN22 60 HB2  60   0.0042885 
HN21 60 HB1  60   0.0350514 
HN21 60 HB2  60   0.0115920 
HN   60 HN   61   0.0131679 
HA   60 HB1  60   0.0325620 
HA   60 HB2  60   0.0532431 
HN   61 HA   61   0.0276480 
HN22 61 HB1  61   0.0086274 
HN22 61 HB2  61   0.0093663 
HN21 61 HB1  61   0.0242280 
HN   61 HB2  61   0.0214686 
HA   61 HB1  61   0.0267453 
HA   61 HB2  61   0.0443718 
UNRESOLVED 
HN   26 QB   26   HN   26 QB   25                     0.01964430 
HN    8 QG    7   HN    8 HG2  37                     0.01593270 
HN   20 QB   20   HN   22 QB   20                     0.01194300 
HN   44 QB   44   HN   44 QD   44                     0.04903830 
HA   44 QB   44   HA   44 QD   44                     0.03300300 
HN   37 HA   36   HN   37 HA   25                     0.07915140 
HN   27 HA   26   HN   25 HA   26                     0.08676630 
HN   25 HA   25   HN   27 HA   25                     0.01018530 
HN    4 HB2   4   HN    4 HB2  59                     0.00767340 
HN    4 QD   38   HN    4 HA   58                     0.01144980 
HN    6 HA    6   HN    6 HB   13                     0.01512990 
HN   17 HA   16   HN   17 HA   21                     0.08953920 
HN   20 HA1  41   HN   20 HA1  19   HN   22 HA1  41   0.00748800 
HN   20 HA   20   HN   22 HA   20                     0.00742320 
HN   20 HA   21   HN   20 HB   21   HN   22 HA   21                      
HN   22 HB   21                                       0.00986580 
HA   26 QB   26   HA   26 QB   25                     0.03702150 
HN   39 QA   39   HN   39 HB2  24                     0.03829410 
HN   54 HB2  54   HN   54 HB2  23                     0.00670230 
HN   24 HB1  23   HN   24 HB1  60                     0.01059480 
HN   23 HB1  23   HN   23 HB1  60                     0.01624680 
HN   23 HB2  23   HN   23 HB2  54                     0.00318240 
HN   27 HB2  27   HN   25 HB2  23   HN   60 HB2  54                      
HN   60 HB2  23                                       0.00988830 
HN   25 HB1  23   HN   25 HB1  60   HN   60 HB1  23                      
HN   60 HB1  60                                       0.01995840 
HN   40 HB2  40   HN   17 HB2  40   HN   24 HB2  40   0.02054520 
HN   28 HB1  30   HN   30 HB1  30                     0.00984870 
HN   54 HB1  23   HN   54 HB1  60                     0.00547110 
HN   52 HN   25   HN   52 HN   27   HN   58 HN   60   0.02159730 
HN   21 HA   21   HN   21 HB   21   HN    2 HA   16                      
HN    2 HA   21                                       0.01665720 
HN   16 HA   16   HN    2 HA   16   HN    2 HA   21   0.01054170 
HN   20 HG1  20   HN   22 HG1  20                     0.02443410 
HN   46 MG1  45   HN   46 MG2  45                     0.02437470 
HN   49 MG1  45   HN   49 MG2  45                     0.00928260 
HN   52 HB1  51   HN   52 HG1  25   HN   58 HG2  58   0.01911150 
HN   14 MG2  13   HN   14 QG   15                     0.01280610 
HN   37 HB1  37   HN   37 HB2   7                     0.01598670 
HN   37 QG    7   HN   37 HG2  37                     0.00359550 
HN   37 QB   26   HN   37 QB   25                     0.00665730 
HN    8 HB1  37   HN    8 HB2   7                     0.00847350 
HE3  28 MG1  49   HE3  28 HG12 36                     0.03237840 
HN   17 HA   17   HN   40 HA   17   HN   15 HA   14   0.01803060 
HN   29 HA   29   HN   35 HA   29                     0.00929070 
HN   28 HA   29   HN   30 HA   29                     0.09556920 
HN   28 HA   28   HN    2 HA    3                     0.01224000 
HN   29 HA   28   HN   35 HA   28                     0.05050890 
HN   48 HA2  48   HN   35 HA2  33                     0.03231720 
HN    8 MG2  36   HN    8 HG12 36                     0.01005570 
HN   37 MG2  36   HN   37 HG12 36                     0.03615570 
HN   52 MD1  51   HN   52 MD2  51                     0.02819790 
HZ2  27 HB2  50   HZ2  28 HG12 35                     0.00942480 
HN   52 HG   51   HN   52 QD   25                     0.01827360 
HN   25 MD1  51   HN   25 MD2  51                     0.01497600 
HN   37 QG   26   HN   37 QD   26                     0.01120410 
HN   26 QG   26   HN   26 QD   26   HN   26 HG2  25   0.01332090 
HN   29 HB   35   HN   35 HB   35                     0.03650130 
HN   25 HB2  60   HN   60 HB2  60                     0.01675530 
HN   34 MG2  34   HN   34 MD1  35                     0.00777600 
HN    9 HB1   7   HN21 60 QB   25                     0.00028620 
HN   45 MG1  45   HN   45 MG2  45                     0.07321590 
HN   51 MD1  51   HN   51 MD2  51                     0.00758520 
HN   45 HB   45   HN   45 HB   49                     0.01885410 
HN   29 MG2  34   HN   29 MD1  35   HN   35 MG2  34                      
HN   35 MD1  35   HN   28 MG2  34   HN   28 MD1  35   0.05500440 
HN    2 MD1   1   HN   30 HG11 35   HN   28 HG11 35   0.01123560 
HN   16 MG2  16   HN   16 QG   15   HN   38 HG1  25   0.02035890 
HN   21 HG2  20   HN    2 HB2  57                     0.00782910 
HN   38 QG    7   HN   38 HG2  37                     0.00576540 
HN22 60 QD   25   HN22 60 HG1  38                     0.01476360 
HN   46 HB   45   HN   46 HB   49                     0.05689530 
HN    7 QG    6   HN    7 HG2  10                     0.02427210 
HN   10 HB2  10   HN   42 HG1  20                     0.01768050 
HN   10 QG    6   HN   10 HG2  10   HN   42 HB1  42   0.03120120 
HN   27 HA   51   HN   25 HA   51                     0.00610200 
HN21 61 HB2  61   HN22  7 HG1  37                     0.01454040 
HE3  28 QG   26   HE3  28 QD   26                     0.02389950 
HE3  27 QB   26   HE3  27 QB   25   HH2  27 QB   25   0.01372590 
HN   27 HE3  27   HN   27 HH2  27   HN   25 HE3  27                      
HN   25 HH2  27                                       0.02505510 
HN   29 HD1  28   HN   35 HD1  28                     0.00784170 
HN   24 RD   24   HN   40 RD   24                     0.02662740 
HN   10 HB1   8   HN   10 HB2   9                     0.00421290 
HN   36 MG2  36   HN   36 HG12 36                     0.00558720 
RD   24 QG   26   RD   24 QD   26   RD   24 HG2  25   0.05880690 
RD   24 MD1  51   RD   24 MD2  51                     0.02862990 
HNE  38 QD   25   HNE  38 HG1  38                     0.01261170 
HE3  27 HG1  25   HH2  27 HG1  25                     0.04495860 
HN   25 QB   26   HN   25 QB   25   HN   27 QB   26                      
HN   27 QB   25   HN   60 QB   25                     0.02219310 
HN   27 QB   26   HN   27 QB   25                     0.00580050 
HN   52 QB   26   HN   52 QB   25                     0.00732060 
HB2   8 HB   36   HA    1 HG    1                     0.03059910 
HB   16 MG2  16   HB   16 QG   15                     0.08062200 
HA   16 MG2  16   HA   16 QG   15                     0.05040180 
HA    6 MG2  13   HB   13 MG2  13   HB   13 QG   15   0.09556559 
HA   45 MG1  45   HA   45 MG2  45                     0.06986340 
HB2  17 HG1  20   HD1  47 HB2  47                     0.01092960 
HB2  17 QB   20   HD1  47 HG1  47                     0.05123700 
HA1  19 HG1  20   HD2  47 HB2  47                     0.00717120 
HA1  41 QB   20   HA1  19 QB   20   HD2  47 HG1  47   0.04264290 
HA2  41 QB   20   HA   47 HG1  47   HA   32 HB2  32   0.06339510 
HA2  41 HG1  20   HA   47 HB2  47                     0.05930370 
HD2  11 HB1  11   HD2  12 HB1  11                     0.01200690 
HA   45 HB   45   HA   45 HB   49                     0.06311970 
HB   45 MG1  45   HB   45 MG2  45   HB   49 MG1  45                      
HB   49 MG2  45                                       0.20526479 
HN   25 HA   24   HN   60 HA   24                     0.08986320 
HA   26 QG   26   HA   26 QD   26   HA   26 HG2  25   0.02823030 
HA   26 MD1  51   HA   26 MD2  51                     0.01962720 
HA   27 MG2  36   HA   27 HG12 36                     0.01887300 
HA   24 MD1  51   HA   24 MD2  51                     0.01333350 
HN   39 QD   25   HN   39 HG1  38                     0.01969380 
HD2  12 HG1  12   HD2  12 QB   12                     0.06889860 
HD1  12 HG1  12   HD1  12 QB   12                     0.02949390 
HA   40 HB2  40   HA   52 QB   52                     0.07898939 
HA   36 HB2  27   HA   25 HB2  27                     0.01702980 
HN   15 HB2  15   HN   15 QB    2                     0.01953630 
HN    3 HB2  15   HN    3 QB    2                     0.02084940 
HN   15 HG2  58   HN   15 QG   15   HN   40 QG   15                      
HN   17 MG2  16   HN   17 QG   15   HN   24 HG1  25   0.02895840 
HN   29 HB1  28   HN   35 HB1  28                     0.03213810 
HN   60 QD   38   HN   60 HA   58   HN    6 QD   38   0.01170270 
HN   53 MD1  51   HN   53 MD2  51                     0.04845960 
HN   28 MG1  49   HN   28 HG12 36   HN   38 MG2  36   0.00390510 
HN   48 HD2  47   HN   29 HB1  29   HN   35 HB1  29                      
HN   21 HA1  41                                       0.04213260 
HN    9 HB1   8   HN    9 HB2   9                     0.04648320 
HN   45 QB   44   HN   45 HB2  43   HN   45 QD   44   0.02765790 
HN   20 HG2  20   HN   22 HG2  20                     0.02151810 
HE3  27 QB   52   HH2  27 QB   52                     0.02189160 
HE3  27 QE   25   HH2  27 QE   25                     0.00883620 
HH2  28 QG    7   HH2  28 HG2  37                     0.00556920 
HE3  27 HB2  50   HH2  27 HB2  50                     0.01641420 
HE3  27 MG2  36   HE3  27 HG12 36                     0.01023930 
HN   26 HA   36   HN   26 HA   25                     0.06041250 
HB2  27 MG2  36   HB2  27 HG12 36                     0.06086340 
HB1  27 MG2  36   HB1  27 HG12 36                     0.04864950 
HB2  30 MD1  35   HB1  27 MG2  34                     0.03625740 
HB1  27 HG11 36   HB1  27 HB1  50   HD2  58 MG2  14   0.01894140 
QD   38 HG1  25   HA   58 HG2  58                     0.03524400 
HA    2 HG2  58   HA    2 MG2  16   HA    2 QG   15   0.00441990 
HA   11 HD2  11   HA   11 HD2  12                     0.08090550 
HB2   8 HB1   8   HB2   8 HB2   9                     0.16077870 
HA   16 HB2  17   HA   46 HD1  47                     0.04164660 
HB1   8 HA    9   HB2   9 HA    9                     0.02854800 
HA   44 MG1  45   HA   44 MG2  45                     0.03248100 
HA   21 MG2  21   HB   21 MG2  21                     0.10991250 
HA   16 MD2   1   HA   21 MD2   1   HB   21 MD2   1   0.00574920 
HD2  43 MD1  51   HD2  43 MD2  51                     0.04594410 
HD1  43 MD1  51   HD1  43 MD2  51                     0.02387430 
QE   25 MG2  36   QE   25 HG12 36                     0.03896640 
HA   51 QB   26   HA   51 QB   25                     0.00856170 
HA   42 MD1  51   HA   42 MD2  51                     0.07805250 
MG2  34 HB   35   MD1  35 HB   35                     0.03152250 
HA   21 MD1   1   HB   21 MD1   1                     0.03419010 
HD2   4 HB2   4   HD2   4 HB2  59                     0.00645030 
HE3  27 HB1  50   HH2  27 HB1  50                     0.00704700 
HN   21 HA   20   HN   29 HA   34   HN   35 HA   34   0.02896560 
HN   21 HN   20   HN   21 HN   22                     0.05829480 
HN   28 HB1  27   HN   30 HB2  30                     0.02951730 
HN   29 HB2  28   HN   35 HB2  28                     0.01918440 
HN   60 HB2   4   HN   60 HB2  59   HN    6 HB2   4   0.00926010 
HN   27 QD   26   HN   27 HG2  25   HN   25 HG2  25                      
HN   60 HG2  25                                       0.02956320 
HN   25 QD   25   HN   25 HG1  38   HN   60 QD   25                      
HN   60 HG1  38   HN    6 HG1  38                     0.00995580 
HN   27 HG1  25   HN   25 HG1  25                     0.00944370 
HN   15 QD   15   HN   15 HB1  15   HN   40 QD   15                      
HN   40 HB1  15   HN   17 QD   15   HN   17 HB1  15   0.01067760 
HN21 60 QD   25   HN21 60 HG1  38                     0.02010510 
HN   51 HG   51   HN   45 HG   51   HN   45 HG2  44   0.00944730 
HN   52 HE3  27   HN   52 HH2  27                     0.00639360 
HE3  27 HA   26   HH2  27 HA   26                     0.02121480 
HN   52 QE   25   HN   58 HB2  57                     0.01287360 
HN   50 HB   49   HN   50 HB   45                     0.00796410 
HN21  6 HG1  12   HN21  6 QB   12                     0.01341540 
HN    2 HG1   2   HN   28 HB1  37                     0.01818630 
HE3  27 HA   51   HH2  27 HA   51                     0.01086480 
HN21  7 QG    7   HN21  7 HG2  37   HN21 10 QG    7   0.00699300 
HN22  7 QG    7   HN22  7 HG2  37                     0.00684000 
HN21  7 HG1  10   HN21 10 HG1  10                     0.00297450 
HN   20 HB2  17   HN   22 HB2  17                     0.00302400 
HN   61 QD   38   HN   61 HA   58                     0.00171630 
HN22 60 QD   38   HN22 60 HA   58                     0.00204210 
HN   56 HB1  55   HN21 61 QB   12                     0.00520740 
HN22  6 HG1  12   HN22  6 QB   12                     0.01797660 
HZ3  27 QB   26   HZ3  27 QB   25                     0.00787590 
HD2   4 QD   38   HD2   4 HA   58                     0.01225260 
HNE  38 MG2  36   HD1  28 MG1  49                     0.01298340 
QG    7 MG2  35   HG2  37 MG2  35                     0.01696860 
HA   35 MG2  34   HA   35 MD1  35                     0.01710720 
HB2  23 HB2  60   HB2  54 HB2  55                     0.02134800 
HA   26 MD1  51   HA   26 MD2  51                     0.01731780 
HA   40 HB1  40   HA   52 HB1  53                     0.02416140 
HA    5 QA   39   HA   38 QA   39   HA   38 HB2  24   0.01715670 
HA    7 HG2  37   HA    7 QG    7                     0.02006190 
HA    6 QG    6   HB   13 QG    6   HA   11 QG    6   0.06051420 
HA   20 HG2  20   HA   57 HB2  57                     0.07460100 
HA   37 QG    7   HA   37 HG2  37                     0.02929950 
HA    9 HB1   8   HA    9 HB2   9                     0.04553460 
HA    7 HB1  37   HA    7 HB2   7                     0.07482690 
HA   37 HB1  37   HA   37 HB2   7                     0.03130110 
HA   25 QB   26   HA   25 QB   25                     0.02389590 
HA    2 HB2  15   HA    2 QB    2                     0.05441400 
HA   25 QD   26   HA   25 HG2  25                     0.04810140 
HA   54 HG1  55   HA   51 QG   26   HA   51 QD   26   0.02180880 
HA   36 MG2  36   HA   36 HG12 36                     0.11118060 
HA   20 QB   20   HA   57 HB2  58                     0.03567600 
HA   34 MG2  34   HA   34 MD1  35                     0.05654700 
HA   38 QD   25   HA   38 HG1  38                     0.07020359 
HA   29 MG2  34   HA   29 MD1  35                     0.00989100 
HA   51 MD1  51   HA   51 MD2  51                     0.07409160 
HA    5 QB   38   HA   38 QB   38                     0.06044310 
HA   15 QD   15   HA   15 HB1  15                     0.04683960 
HA    6 QB    6   HA   11 QB    6                     0.06317910 
HA   11 HG2  11   HA    6 HG2  11                     0.03191310 
HA   21 HG1  20   HA   46 HB2  47                     0.00891360 
-----------------------------------------------------------------------

------------------------------------------------------------------------
#  
#  
#  DEUTERIUM EXCHANGE RATES OF HN-PROTONS. To measure the deuterium-exchange 
#  rates of amide protons, the sample was dissolved in D2O and TOCSY spectra
#  were acquired after 0.5, 2 and 45 hours.

PROTON            EXCHANGE TIME

 HN   Glu2            2      
 HN   Cys3           45     
 HN   His4           45     
 HN   Asn5           45     
 HN   Gln6           45      
 HN   Gln7           0.5     
 HN   Ser8           0.5     
 HN   Gln10          45      
 HN   Thr13          2       
 HN   Lys15          2       
 HN   Cys17          45      
 HN   Cys23          45      
 HN   Tyr24          45      
 HN   Lys25          45      
 HN   Lys26          45      
 HN   Trp27          45      
 HN   Trp28          45      
 HN   Ser29          2       
 HN   Asp30          45      
 HN   Ile35          2       
 HN   Ile36          45      
 HN   Glu37          45      
 HE   Arg38          0.5     
 HN   Gly39          45      
 HN   Gly41          45     
 HN   Val45          2      
 HN   Lys46          2      
 HN   Val49          45     
 HN   Asn50          2      
 HN   Leu51          2      
 HN   Asn52          45     
 HN   Cys53          0.5    
 HN   Cys54          45     
 HN   Thr56          45     
 HN   Arg58          45     
 HN   Cys59          45     
 HN   Asn60          45     
 HN   Asn61          2      
------------------------------------------------------------------------

------------------------------------------------------------------------
# 
#
#  Experimental vicinal HN-CAH spin-spin coupling constants used 
#  to define PHI dihedral angle constraints for DIANA calculations.

DIH ANG       J(HN_CAH)     ACCURACY
		    Hz        Hz
 PHI  2             9.0      0.5
 PHI  3             8.4      0.5
 PHI  4             5.5      0.5
 PHI  5            11.0      1.2
 PHI  7             7.9      0.5  
 PHI  8             7.8      1.5  
 PHI  9             8.9      0.5
 PHI 10             4.5      0.5
 PHI 13             8.0      0.8	
 PHI 14            10.0      0.5
 PHI 15             8.0      0.5
 PHI 16             7.8      1.0
 PHI 17             7.8      0.5
 PHI 20             7.9      0.5
 PHI 21             8.8      1.0
 PHI 22             9.0      1.0
 PHI 23             8.1      0.5
 PHI 24            11.0      1.2 
 PHI 25             8.2      0.5
 PHI 26             8.0      0.5
 PHI 27             7.5      0.6
 PHI 28             7.3      0.7
 PHI 29             8.0      0.5
 PHI 30             7.8      0.5
 PHI 31             4.0      0.6
 PHI 32             7.9      0.6
 PHI 34             9.2      0.5
 PHI 35            10.2      0.8
 PHI 36             9.0      0.5
 PHI 37             8.0      0.5
 PHI 38            11.0      1.2
 PHI 40             8.0      0.5
 PHI 42             7.5      0.8
 PHI 44             7.8      0.8
 PHI 45            11.0      1.2
 PHI 46             6.0      0.5
 PHI 49            11.0      1.2
 PHI 50             7.8      0.5
 PHI 51             7.9      0.5
 PHI 52             8.0      0.5
 PHI 53             8.0      0.5
 PHI 54             7.5      1.0
 PHI 55             8.3      1.0
 PHI 56            11.0      1.2
 PHI 58             5.9      1.0
 PHI 59             7.6      1.0
 PHI 60             6.7      0.7
 PHI 61             7.8      0.5
-----------------------------------------------------------------------

-----------------------------------------------------------------------
II.	THIS SECTION CONTAINS INPUT DATA FOR DIANA
-----------------------------------------------------------------------
#   
#  This data include all upper limit interproton distance and torsion 
#  angle restraints in DIANA format. Inerproton distance restraints have 
#  FORMAT(I3,1X,2A5,I4,1X,2A5,F7.2) and the correspondent records contain 
#  residue number, residue name and atom name of the first and second atom, 
#  respectively, and the distance limit in Angstroms. Torsion angle restraints 
#  have FORMAT(I4,1X,A5,1X,A5,2F8.1) and the correspondent records contain the 
#  residue number, the residue name, the dihedral angle name, and lower and 
#  upper bounds of the allowed interval in degrees.
#
#     
#-----------------------------------------------------------------------
#   Upper proton-proton distance limits for DIANA derived from MARDIGRAS  
  1 LEU  QB      1 LEU  HA      3.16 
  1 LEU  QD1     1 LEU  HA      4.03 
  1 LEU  QD2     1 LEU  HA      3.27 
  2 GLU  HN      1 LEU  HA      2.48 
  2 GLU  HN      1 LEU  QD2     4.20 
  2 GLU  QB      2 GLU  HN      6.31 
  2 GLU  HG2     2 GLU  HA      3.05 
  3 CYS  HN      2 GLU  HA      2.23 
  3 CYS  HN      2 GLU  HG2     4.45 
  3 CYS  HB2     3 CYS  HN      3.02 
  3 CYS  HB2     3 CYS  HA      3.57 
  3 CYS  HB3     3 CYS  HA      2.84 
  4 HIS  HN      3 CYS  HA      2.86 
  4 HIS  HN      3 CYS  HB3     3.52 
  4 HIS  HA      4 HIS  HN      4.99 
  4 HIS  HB2     4 HIS  HN      2.91 
  4 HIS  HB2     4 HIS  HA      3.62 
  4 HIS  HB3     4 HIS  HA      2.73 
  4 HIS  HD2     3 CYS  HA      6.38 
  4 HIS  HD2     4 HIS  HN      4.64 
  4 HIS  HD2     4 HIS  HA      5.61 
  4 HIS  HD2     4 HIS  HB2     3.55 
  5 ASN  HN      4 HIS  HA      2.83 
  5 ASN  HN      4 HIS  HB3     4.62 
  5 ASN  HB2     5 ASN  HN      4.26 
  5 ASN  HB2     5 ASN  HA      2.69 
  5 ASN  HB3     5 ASN  HN      5.89 
  5 ASN  HB3     5 ASN  HA      2.77 
  5 ASN  HD21    5 ASN  HB3     2.77 
  6 GLN  HN      5 ASN  HN      2.62 
  6 GLN  QB      6 GLN  HN      4.14 
  6 GLN  QG      5 ASN  HN      6.17 
  6 GLN  QG      6 GLN  HN      4.41 
  6 GLN  HE21    6 GLN  QB      3.94 
  6 GLN  HE21    6 GLN  QG      4.04 
  6 GLN  HE22    6 GLN  QB      4.59 
  6 GLN  HE22    6 GLN  QG      6.08 
  7 GLN  HN      6 GLN  HA      2.30 
  7 GLN  HN      6 GLN  QB      3.09 
  7 GLN  HB2     7 GLN  HN      2.82 
  7 GLN  HB2     7 GLN  HA      3.03 
  8 SER  HA      8 SER  HN      2.73 
  8 SER  HB2     8 SER  HN      4.00 
  8 SER  HB3     8 SER  HA      3.02 
  9 SER  HN      8 SER  HA      3.57 
  9 SER  HN      8 SER  HB3     2.69 
  9 SER  HA      9 SER  HN      3.34 
  9 SER  HB2     9 SER  HA      3.65 
 10 GLN  HN      6 GLN  QB      5.66 
 10 GLN  HN      9 SER  HN      2.80 
 10 GLN  HN      9 SER  HA      4.08 
 10 GLN  HA     10 GLN  HN      3.04 
 10 GLN  HB2    10 GLN  HN      2.66 
 10 GLN  HB3    10 GLN  HA      2.75 
 10 GLN  HG2    10 GLN  HN      3.21 
 10 GLN  HG2    10 GLN  HA      3.14 
 10 GLN  HG3     9 SER  HN      4.82 
 10 GLN  HG3    10 GLN  HA      3.87 
 10 GLN  HE22   10 GLN  HG3     4.06 
 11 PRO  HD2    10 GLN  HA      2.89 
 11 PRO  HD2    10 GLN  HB3     2.51 
 11 PRO  HD3    10 GLN  HA      2.42 
 11 PRO  HB2    11 PRO  HD2     3.49 
 11 PRO  HB3    11 PRO  HD2     3.66 
 11 PRO  HB3    11 PRO  HA      2.93 
 11 PRO  HG2    11 PRO  HD2     2.62 
 11 PRO  HG2    11 PRO  HA      5.07 
 11 PRO  HG3    11 PRO  HD3     2.14 
 12 PRO  HD2    11 PRO  HA      2.72 
 12 PRO  HA      6 GLN  QB      4.45 
 12 PRO  HA      6 GLN  QG      3.53 
 12 PRO  HA      6 GLN  HE22    3.41 
 12 PRO  QB      4 HIS  HE1     3.37 
 12 PRO  HG3    12 PRO  HD3     2.45 
 13 THR  HN      6 GLN  HN      4.55 
 13 THR  HN      6 GLN  QG      3.74 
 13 THR  HN     12 PRO  HA      2.32 
 13 THR  HN     12 PRO  QB      4.39 
 13 THR  QG2    13 THR  HN      5.32 
 13 THR  QG2    13 THR  HA      2.83 
 14 THR  HN     13 THR  HB      3.06 
 14 THR  HA      4 HIS  HA      2.17 
 14 THR  HB      2 GLU  HG2     4.57 
 14 THR  HB      2 GLU  HG3     3.55 
 14 THR  HB      4 HIS  HA      4.55 
 14 THR  HB     14 THR  HN      3.64 
 14 THR  HB     14 THR  HA      2.78 
 14 THR  QG2     4 HIS  HE1     6.13 
 14 THR  QG2    14 THR  HN      5.18 
 14 THR  QG2    14 THR  HA      3.19 
 15 LYS+ HN     14 THR  HB      3.17 
 15 LYS+ HN     14 THR  QG2     5.36 
 15 LYS+ HA     15 LYS  HN      3.53 
 15 LYS+ HB3     5 ASN  HD21    3.33 
 15 LYS+ HB3    15 LYS  HA      2.63 
 15 LYS+ QG     15 LYS  HA      4.65 
 16 THR  HN     15 LYS+ HA      2.90 
 16 THR  HN     15 LYS+ HB3     2.69 
 16 THR  HA      2 GLU  HA      2.20 
 16 THR  HB     16 THR  HN      2.80 
 17 CYS  HN     16 THR  HB      4.84 
 17 CYS  HB2     1 LEU  QD1     5.01 
 17 CYS  HB2    17 CYS  HN      2.74 
 17 CYS  HB2    17 CYS  HA      3.56 
 17 CYS  HB3    17 CYS  HA      2.83 
 18 SER  HN     17 CYS  HA      4.84 
 18 SER  HN     17 CYS  HB2     5.76 
 18 SER  HN     17 CYS  HB3     3.98 
 18 SER  HA     18 SER  HN      4.41 
 18 SER  HB2    18 SER  HN      3.54 
 18 SER  HB2    18 SER  HA      3.12 
 18 SER  HB3    18 SER  HN      4.48 
 18 SER  HB3    18 SER  HA      3.05 
 19 GLY  HN     18 SER  HA      2.86 
 19 GLY  HA1    19 GLY  HN      4.11 
 19 GLY  HA2    19 GLY  HN      2.90 
 20 GLU  HN     19 GLY  HN      3.56 
 20 GLU  HG2    20 GLU  HA      2.59 
 21 THR  QG2    21 THR  HN      4.01 
 22 ASN  HN      1 LEU  QD1     5.62 
 22 ASN  HA      1 LEU  QD1     4.10 
 22 ASN  HA      1 LEU  QD2     4.58 
 22 ASN  HA     22 ASN  HN      4.96 
 22 ASN  HB2    22 ASN  HA      4.08 
 22 ASN  HB3    22 ASN  HN      4.92 
 22 ASN  HB3    22 ASN  HA      2.53 
 22 ASN  HD21   21 THR  HB      4.94 
 22 ASN  HD21   22 ASN  HA      4.32 
 22 ASN  HD21   22 ASN  HB2     2.75 
 22 ASN  HD22   22 ASN  HA      4.00 
 23 CYS  HN      1 LEU  QD1     6.92 
 23 CYS  HN     22 ASN  HA      2.48 
 23 CYS  HN     22 ASN  HB3     2.84 
 23 CYS  HA     23 CYS  HN      3.71 
 23 CYS  HB2    23 CYS  HA      4.07 
 23 CYS  HB3    23 CYS  HA      2.76 
 24 TYR  HN     23 CYS  HA      2.52 
 24 TYR  HN     23 CYS  HB3     3.09 
 24 TYR  HA     24 TYR  HN      2.91 
 24 TYR  HB2    24 TYR  HA      2.73 
 24 TYR  HB3    24 TYR  HA      2.42 
 24 TYR  QR     24 TYR  HB2     5.88 
 24 TYR  QR     24 TYR  HB3     5.45 
 25 LYS+ HN     24 TYR  HB2     3.00 
 25 LYS+ HA     24 TYR  QR      6.48 
 25 LYS+ QB     24 TYR  HA      5.69 
 25 LYS+ HG2    25 LYS  HA      2.62 
 25 LYS+ QE     25 LYS  HG2     2.85 
 26 LYS+ HN     25 LYS  HG2     4.04 
 26 LYS+ HA     26 LYS  HN      3.66 
 26 LYS+ QB     24 TYR  QR      6.35 
 27 TRP  HB2    27 TRP  HA      2.50 
 27 TRP  HB3    27 TRP  HA      2.71 
 27 TRP  HD1    27 TRP  HB2     3.16 
 27 TRP  HD1    27 TRP  HB3     4.57 
 27 TRP  HE3    27 TRP  HB3     2.99 
 27 TRP  HE1    27 TRP  HD1     2.75 
 27 TRP  HZ3    25 LYS+ HG2     3.63 
 27 TRP  HZ2    27 TRP  HE1     3.20 
 28 TRP  HN     27 TRP  HA      2.48 
 28 TRP  HB2    28 TRP  HA      2.31 
 28 TRP  HB3    28 TRP  HN      5.97 
 28 TRP  HB3    28 TRP  HA      3.13 
 28 TRP  HD1    28 TRP  HA      6.60 
 28 TRP  HD1    28 TRP  HB2     3.02 
 28 TRP  HD1    28 TRP  HB3     4.08 
 28 TRP  HE3    26 LYS+ QB      6.92 
 28 TRP  HE3    27 TRP  HA      3.08 
 28 TRP  HE3    28 TRP  HN      3.50 
 28 TRP  HE3    28 TRP  HB2     4.31 
 28 TRP  HE3    28 TRP  HB3     3.18 
 28 TRP  HE1    28 TRP  HD1     2.74 
 28 TRP  HZ2    28 TRP  HE1     3.09 
 29 SER  HB2    29 SER  HA      3.24 
 29 SER  HB3    29 SER  HA      2.87 
 30 ASP  HB2    28 TRP  HD1     4.47 
 30 ASP  HB2    28 TRP  HE1     5.01 
 30 ASP  HB2    30 ASP  HA      2.60 
 30 ASP  HB3    28 TRP  HE1     6.36 
 30 ASP  HB3    30 ASP  HA      2.92 
 31 HIS  HN     30 ASP  HA      4.88 
 31 HIS  HN     30 ASP  HB2     4.17 
 31 HIS  HN     30 ASP  HB3     2.93 
 31 HIS  HA     31 HIS  HN      3.05 
 31 HIS  QB     31 HIS  HN      6.86 
 31 HIS  QB     31 HIS  HA      3.41 
 32 ARG+ HN     31 HIS  HN      3.42 
 32 ARG+ HN     31 HIS  HA      4.27 
 32 ARG+ HN     31 HIS  QB      2.57 
 32 ARG+ HA     32 ARG  HN      3.08 
 32 ARG+ HB2    32 ARG  HN      3.02 
 32 ARG+ HB2    32 ARG  HA      3.37 
 32 ARG+ HB3    32 ARG  HN      4.95 
 32 ARG+ HG2    32 ARG  HN      3.37 
 32 ARG+ HG2    32 ARG  HA      4.67 
 32 ARG+ HG3    32 ARG  HN      4.97 
 32 ARG+ HG3    32 ARG  HA      3.36 
 32 ARG+ HE     32 ARG  HB2     3.57 
 32 ARG+ HE     32 ARG  HG2     3.89 
 32 ARG+ HE     32 ARG  QD      4.63 
 33 GLY  HN     30 ASP  HN      3.65 
 33 GLY  HN     31 HIS  HA      6.05 
 33 GLY  HN     32 ARG+ HN      2.83 
 33 GLY  HN     32 ARG+ HA      3.40 
 33 GLY  HN     32 ARG+ HB3     3.60 
 33 GLY  HA1    33 GLY  HN      3.13 
 33 GLY  HA2    33 GLY  HN      3.23 
 34 THR  HN     33 GLY  HA1     3.06 
 34 THR  HN     33 GLY  HA2     2.85 
 34 THR  HA     29 SER  HA      2.28 
 34 THR  HA     34 THR  HN      4.86 
 34 THR  HB     34 THR  HN      2.97 
 34 THR  HB     34 THR  HA      3.11 
 34 THR  QG2    27 TRP  HD1     4.05 
 35 ILE  HB     28 TRP  HZ2     4.81 
 35 ILE  HB     35 ILE  HA      3.43 
 35 ILE  QG2    28 TRP  HZ2     4.84 
 35 ILE  QG2    28 TRP  HH2     4.29 
 35 ILE  QG2    35 ILE  HN      5.76 
 35 ILE  QG2    35 ILE  HA      3.33 
 35 ILE  HG12   28 TRP  HE1     4.05 
 35 ILE  HG12   28 TRP  HZ2     3.97 
 35 ILE  HG12   35 ILE  HA      3.24 
 35 ILE  HG13   35 ILE  HA      3.67 
 35 ILE  QD1    35 ILE  QG2     6.27 
 36 ILE  HN      8 SER  HN      3.60 
 36 ILE  HN      8 SER  HA      3.77 
 36 ILE  HN     35 ILE  HA      2.31 
 36 ILE  HN     35 ILE  QG2     4.09 
 36 ILE  HA     27 TRP  HA      2.70 
 36 ILE  HA     36 ILE  HN      3.44 
 36 ILE  HB      8 SER  HN      3.10 
 36 ILE  HB      8 SER  HA      2.57 
 36 ILE  HB     36 ILE  HN      3.65 
 36 ILE  QG2     8 SER  HA      4.32 
 36 ILE  HG12    8 SER  HA      3.17 
 36 ILE  QD1     8 SER  HA      6.03 
 36 ILE  QD1    36 ILE  HN      5.99 
 37 GLU  HN     26 LYS+ HN      3.44 
 37 GLU  HN     27 TRP  HA      4.61 
 37 GLU  HN     28 TRP  HN      7.00 
 37 GLU  HA      7 GLN  HA      3.27 
 37 GLU  HA     37 GLU  HN      4.28 
 37 GLU  HB2    28 TRP  HH2     4.94 
 37 GLU  HB3    37 GLU  HN      3.82 
 37 GLU  HB3    37 GLU  HA      2.84 
 37 GLU  HG2    37 GLU  HA      3.18 
 38 ARG+ HN     37 GLU  HA      2.81 
 38 ARG+ HN     37 GLU  HB3     3.63 
 38 ARG+ HN     37 GLU  HG2     4.50 
 38 ARG+ HA     25 LYS+ HA      2.51 
 38 ARG+ HA     26 LYS+ QG      3.59 
 39 GLY  HN     25 LYS+ HA      3.97 
 39 GLY  HN     38 ARG+ HA      2.56 
 40 CYS  HA     23 CYS  HA      2.81 
 40 CYS  HA     40 CYS  HN      3.55 
 40 CYS  HB2    40 CYS  HN      2.60 
 40 CYS  HB3    23 CYS  HA      5.56 
 41 GLY  HN     20 GLU  HG2     3.92 
 41 GLY  HN     20 GLU  HG3     4.31 
 41 GLY  HN     23 CYS  HA      3.17 
 41 GLY  HN     40 CYS  HA      2.50 
 41 GLY  HN     40 CYS  HB3     3.25 
 41 GLY  HA1    20 GLU  HG3     3.01 
 41 GLY  HA1    41 GLY  HN      2.96 
 41 GLY  HA2    41 GLY  HN      3.57 
 42 CYS  HN     41 GLY  HN      6.62 
 42 CYS  HN     41 GLY  HA1     3.29 
 42 CYS  HN     41 GLY  HA2     2.80 
 42 CYS  HA     24 TYR  HB3     2.89 
 42 CYS  HA     42 CYS  HN      3.88 
 42 CYS  HB2    22 ASN  HD21    6.17 
 42 CYS  HB2    22 ASN  HD22    5.81 
 42 CYS  HB2    42 CYS  HA      2.87 
 42 CYS  HB3    42 CYS  HN      3.71 
 43 PRO  HD2    24 TYR  HB3     3.64 
 43 PRO  HD2    24 TYR  QR      5.18 
 43 PRO  HD2    42 CYS  HN      4.54 
 43 PRO  HD2    42 CYS  HA      3.08 
 43 PRO  HD3    42 CYS  HN      4.50 
 43 PRO  HD3    42 CYS  HA      2.30 
 43 PRO  HA     43 PRO  HD2     3.99 
 43 PRO  HA     43 PRO  HD3     3.84 
 43 PRO  HB2    43 PRO  HA      2.52 
 43 PRO  HB3    43 PRO  HA      2.88 
 43 PRO  HG2    24 TYR  QR      6.52 
 43 PRO  HG2    43 PRO  HD2     2.53 
 43 PRO  HG2    43 PRO  HB2     3.07 
 43 PRO  HG3    43 PRO  HD3     2.51 
 43 PRO  HG3    43 PRO  HB3     2.86 
 44 LYS+ HN     43 PRO  HA      2.42 
 44 LYS+ HN     43 PRO  HB2     3.96 
 44 LYS+ HA     44 LYS  HN      3.20 
 44 LYS+ HG2    44 LYS  HN      4.94 
 44 LYS+ HG2    44 LYS  HA      3.59 
 45 VAL  HN     44 LYS+ HA      2.09 
 45 VAL  HN     44 LYS+ HG2     6.39 
 45 VAL  HA     45 VAL  HN      3.38 
 46 LYS+ HN     45 VAL  HA      2.38 
 46 LYS+ HA     46 LYS  HN      3.59 
 46 LYS+ QB     46 LYS  HN      3.65 
 46 LYS+ QB     46 LYS  HA      3.43 
 46 LYS+ HG2    46 LYS  HN      3.26 
 46 LYS+ HG2    46 LYS  HA      3.55 
 46 LYS+ HG3    46 LYS  HN      4.22 
 46 LYS+ HG3    46 LYS  HA      2.81 
 47 PRO  HD2    46 LYS+ HG3     2.50 
 47 PRO  HB2    47 PRO  HD2     3.39 
 47 PRO  HB2    47 PRO  HA      4.41 
 47 PRO  HG3    47 PRO  HD2     2.82 
 48 GLY  HN     47 PRO  HA      2.43 
 48 GLY  HN     47 PRO  HB2     6.14 
 48 GLY  HA1    48 GLY  HN      2.75 
 49 VAL  HN     47 PRO  HA      3.76 
 49 VAL  HN     48 GLY  HN      2.99 
 49 VAL  HN     48 GLY  HA1     3.54 
 49 VAL  HN     48 GLY  HA2     3.54 
 49 VAL  HA     28 TRP  HB2     4.37 
 49 VAL  HA     28 TRP  HB3     3.35 
 49 VAL  HA     49 VAL  HN      2.98 
 49 VAL  HB     49 VAL  HN      2.58 
 49 VAL  HB     49 VAL  HA      3.21 
 49 VAL  QG1    28 TRP  HB2     6.77 
 49 VAL  QG1    28 TRP  HB3     4.16 
 49 VAL  QG1    49 VAL  HN      4.85 
 49 VAL  QG1    49 VAL  HA      3.35 
 49 VAL  QG2    28 TRP  HB2     4.89 
 49 VAL  QG2    28 TRP  HB3     4.62 
 49 VAL  QG2    28 TRP  HE3     5.95 
 49 VAL  QG2    46 LYS+ HN      6.08 
 49 VAL  QG2    49 VAL  HN      3.67 
 49 VAL  QG2    49 VAL  HA      3.06 
 50 ASN  HN     27 TRP  HN      3.82 
 50 ASN  HN     28 TRP  HB3     5.25 
 50 ASN  HN     49 VAL  HA      2.40 
 50 ASN  HN     49 VAL  QG1     3.60 
 50 ASN  HN     49 VAL  QG2     5.71 
 50 ASN  HA     50 ASN  HN      3.33 
 50 ASN  HB2    27 TRP  HN      3.87 
 50 ASN  HB2    50 ASN  HN      2.88 
 50 ASN  HB2    50 ASN  HA      3.34 
 50 ASN  HB3    27 TRP  HN      3.88 
 50 ASN  HB3    27 TRP  HD1     5.75 
 50 ASN  HB3    50 ASN  HA      2.68 
 50 ASN  HD21   50 ASN  HB3     4.80 
 50 ASN  HD22   27 TRP  HD1     3.65 
 50 ASN  HD22   27 TRP  HE1     5.21 
 51 LEU  HN     50 ASN  HA      2.38 
 51 LEU  HN     50 ASN  HB3     3.24 
 51 LEU  HA     26 LYS+ HA      2.54 
 51 LEU  HA     27 TRP  HZ3     4.44 
 51 LEU  HA     51 LEU  HN      3.67 
 51 LEU  HB2    26 LYS+ HA      4.52 
 51 LEU  HB2    51 LEU  HN      3.09 
 51 LEU  HB2    51 LEU  HA      2.62 
 51 LEU  HB3    51 LEU  HN      3.96 
 51 LEU  HB3    51 LEU  HA      3.30 
 51 LEU  HG     51 LEU  HA      3.54 
 52 ASN  HN     26 LYS+ HA      3.64 
 52 ASN  HN     27 TRP  HZ3     3.06 
 52 ASN  HN     51 LEU  HN      7.00 
 52 ASN  HN     51 LEU  HA      2.38 
 52 ASN  HA     27 TRP  HZ3     5.04 
 52 ASN  HA     52 ASN  HN      3.17 
 52 ASN  QB     25 LYS+ HN      5.38 
 52 ASN  QB     27 TRP  HZ3     3.98 
 52 ASN  QB     27 TRP  HZ2     6.54 
 52 ASN  QB     52 ASN  HN      3.61 
 52 ASN  HD21   52 ASN  HA      4.80 
 53 CYS  HN     52 ASN  HA      2.37 
 53 CYS  HN     52 ASN  QB      5.35 
 53 CYS  HA     24 TYR  HA      2.60 
 53 CYS  HA     24 TYR  HB2     4.73 
 53 CYS  HA     24 TYR  HB3     4.05 
 53 CYS  HA     25 LYS+ HN      4.88 
 53 CYS  HA     53 CYS  HN      3.98 
 53 CYS  HB2    53 CYS  HN      3.08 
 53 CYS  HB2    53 CYS  HA      3.46 
 53 CYS  HB3    42 CYS  HB2     2.85 
 53 CYS  HB3    53 CYS  HA      2.65 
 54 CYS  HN     22 ASN  HB3     4.91 
 54 CYS  HN     24 TYR  HA      4.78 
 54 CYS  HN     25 LYS+ HN      5.35 
 54 CYS  HN     53 CYS  HA      2.58 
 54 CYS  HN     53 CYS  HB2     5.02 
 54 CYS  HN     53 CYS  HB3     3.46 
 54 CYS  HA     54 CYS  HN      3.17 
 54 CYS  HB2    54 CYS  HA      2.81 
 54 CYS  HB3    54 CYS  HA      2.64 
 55 ARG+ HN     54 CYS  HA      2.46 
 55 ARG+ HN     54 CYS  HB2     2.89 
 55 ARG+ HN     54 CYS  HB3     3.62 
 55 ARG+ HA      1 LEU  QD1     6.45 
 55 ARG+ HA      1 LEU  QD2     5.79 
 55 ARG+ HA     22 ASN  HA      2.53 
 55 ARG+ HA     23 CYS  HN      5.42 
 55 ARG+ HA     55 ARG  HN      4.01 
 55 ARG+ HB2    55 ARG  HN      2.98 
 55 ARG+ HB3    55 ARG  HN      3.70 
 55 ARG+ HB3    55 ARG  HA      2.64 
 55 ARG+ HG2    55 ARG  HN      4.22 
 55 ARG+ HG3    22 ASN  HA      3.74 
 55 ARG+ HG3    54 CYS  HA      4.47 
 55 ARG+ HG3    55 ARG  HN      2.77 
 55 ARG+ HG3    55 ARG  HA      2.83 
 55 ARG+ QD     55 ARG  HG2     3.52 
 55 ARG+ QD     55 ARG  HG3     4.41 
 55 ARG+ HE     55 ARG  HG3     3.80 
 55 ARG+ HE     55 ARG  QD      3.95 
 56 THR  HN     55 ARG+ HN      2.97 
 56 THR  HN     55 ARG+ HA      3.50 
 56 THR  HA      1 LEU  QD2     4.43 
 56 THR  HA     56 THR  HN      3.60 
 56 THR  HB     56 THR  HA      2.49 
 56 THR  QG2    56 THR  HN      3.89 
 56 THR  QG2    56 THR  HA      3.02 
 57 ASP  HN      1 LEU  QD2     6.06 
 57 ASP  HN     56 THR  HA      3.66 
 57 ASP  HN     56 THR  HB      2.88 
 57 ASP  HN     56 THR  QG2     6.70 
 57 ASP  HA      1 LEU  QD1     5.64 
 57 ASP  HA      1 LEU  QD2     3.26 
 57 ASP  HB2    57 ASP  HN      2.90 
 57 ASP  HB2    57 ASP  HA      3.58 
 58 ARG+ HN      3 CYS  HA      3.67 
 58 ARG+ HN     57 ASP  HN      5.25 
 58 ARG+ HN     57 ASP  HA      2.67 
 58 ARG+ HA      3 CYS  HA      2.94 
 58 ARG+ HA     58 ARG  HN      2.47 
 58 ARG+ HB2     4 HIS  HD2     3.71 
 58 ARG+ HB2    58 ARG  HN      4.57 
 58 ARG+ HB3    58 ARG  HN      6.22 
 58 ARG+ HB3    58 ARG  HA      3.10 
 58 ARG+ HG2     4 HIS  HD2     6.32 
 58 ARG+ HG2     4 HIS  HE1     5.58 
 58 ARG+ HG2    58 ARG  HN      4.60 
 58 ARG+ HG2    58 ARG  HA      2.98 
 58 ARG+ HD2     4 HIS  HD2     6.67 
 58 ARG+ HD2     4 HIS  HE1     5.71 
 58 ARG+ HD3     4 HIS  HE1     3.99 
 58 ARG+ HD3     6 GLN  HE22    4.53 
 58 ARG+ HD3    58 ARG  HG2     2.56 
 58 ARG+ HE     58 ARG  HB2     4.73 
 58 ARG+ HE     58 ARG  HB3     4.95 
 58 ARG+ HE     58 ARG  HG2     5.13 
 58 ARG+ HE     58 ARG  HG3     6.55 
 58 ARG+ HE     58 ARG  HD2     3.18 
 59 CYS  HN     58 ARG+ HN      3.85 
 59 CYS  HN     58 ARG+ HA      3.53 
 59 CYS  HA     59 CYS  HN      3.16 
 59 CYS  HB2    59 CYS  HN      4.19 
 59 CYS  HB2    59 CYS  HA      2.85 
 59 CYS  HB3    56 THR  HN      3.10 
 59 CYS  HB3    59 CYS  HN      2.98 
 59 CYS  HB3    59 CYS  HA      2.60 
 60 ASN  HN      4 HIS  HD2     3.43 
 60 ASN  HN     59 CYS  HN      3.45 
 60 ASN  HN     59 CYS  HA      4.92 
 60 ASN  HB2    60 ASN  HA      3.07 
 60 ASN  HB3    60 ASN  HA      2.41 
 60 ASN  HD21   23 CYS  HB3     3.74 
 60 ASN  HD21   39 GLY  HN      2.88 
 60 ASN  HD21   60 ASN  HB2     2.51 
 60 ASN  HD22    3 CYS  HB3     2.62 
 60 ASN  HD22   23 CYS  HB2     3.53 
 60 ASN  HD22   23 CYS  HB3     3.83 
 60 ASN  HD22   38 ARG+ QB      5.49 
 60 ASN  HD22   39 GLY  HN      3.23 
 60 ASN  HD22   60 ASN  HB3     4.49 
 61 ASN  HN     25 LYS+ QE      3.49 
 61 ASN  HN     38 ARG+ HG2     3.17 
 61 ASN  HN     60 ASN  HN      3.76 
 61 ASN  HA      4 HIS  HD2     3.29 
 61 ASN  HA     38 ARG+ HE      2.93 
 61 ASN  HA     61 ASN  HN      3.11 
 61 ASN  HB2     4 HIS  HD2     3.91 
 61 ASN  HB2    61 ASN  HA      3.34 
 61 ASN  HB3     4 HIS  HD2     4.66 
 61 ASN  HB3    61 ASN  HN      3.35 
 61 ASN  HB3    61 ASN  HA      2.75 
 61 ASN  HD21   61 ASN  HB2     3.11 
 61 ASN  HD22   61 ASN  HB2     4.97

#
#  Distance constraints for hydrogen bonds
#
 23 CYSS HN     54 CYSS O       2.00
 23 CYSS N      54 CYSS O       3.00
 54 CYSS HN     23 CYSS O       2.00
 54 CYSS N      23 CYSS O       3.00
 25 LYS+ HN     52 ASN  O       2.00
 25 LYS+ N      52 ASN  O       3.00
 52 ASN  HN     25 LYS+ O       2.00
 52 ASN  N      25 LYS+ O       3.00
 27 TRP  HN     50 ASN  O       2.00
 27 TRP  N      50 ASN  O       3.00
 50 ASN  HN     27 TRP  O       2.00
 50 ASN  N      27 TRP  O       3.00
 24 TYR  HN     39 GLY  O       2.00
 24 TYR  N      39 GLY  O       3.00
 39 GLY  HN     24 TYR  O       2.00
 39 GLY  N      24 TYR  O       3.00
 26 LYS+ HN     37 GLU  O       2.00
 26 LYS+ N      37 GLU  O       3.00
 37 GLU  HN     26 LYS+ O       2.00
 37 GLU  N      26 LYS+ O       3.00
 41 GLY  HN     22 ASN  O       2.00
 41 GLY  N      22 ASN  O       3.00
 28 TRP  HN     35 ILE  O       2.00
 28 TRP  N      35 ILE  O       3.00
 35 ILE  HN     28 TRP  O       2.00
 35 ILE  N      28 TRP  O       3.00
 10 GLN  HN      7 GLN  O       2.00
 10 GLN  N       7 GLN  O       3.00
 17 CYSS HN      1 LEU  O       2.00
 17 CYSS N       1 LEU  O       3.00
 49 VAL  HN     46 LYS+ O       3.00
 49 VAL  N      46 LYS+ O       4.00
 49 VAL  HN     47 PRO  O       3.00
 49 VAL  N      47 PRO  O       4.00
 58 ARG+ HN      2 GLU  O       2.00
 58 ARG+ N       2 GLU  O       3.00
 59 CYSS HN     56 THR  O       2.00
 59 CYSS N      56 THR  O       3.00
 61 ASN  HN     59 CYSS O       2.50
 61 ASN  N      59 CYSS O       3.50
  3 CYSS HN     15 LYS+ O       2.00
  3 CYSS N      15 LYS+ O       3.00
  5 ASN  HN     13 THR  O       2.00
  5 ASN  N      13 THR  O       3.00
 15 LYS+ HN      3 CYSS O       2.00
 15 GLN  N       3 CYSS O       3.00
 30 ASP  HN     33 GLY  O       2.00
 30 ASP  N      33 GLY  O       3.00
  2 GLU  HN     57 ASP  OD1     2.50  
  2 GLU  N      57 ASP  OD1     3.50  
  4 HIS  HN     60 ASN  OD1     2.00  
  4 HIS  N      60 ASN  OD1     3.00  
  7 GLN  HN     10 GLN  OE1     2.50  
  7 GLN  N      10 GLN  OE1     3.50  
 36 ILE  HN      8 SER  OG      2.50  
 53 CYSS HN     52 ASN  OD1     3.00  
 56 THR  HN     56 THR  OG1     2.00  
 60 ASN  HN     60 ASN  OD1     2.00  
#---------------------------------------------------------------------
# Upper limit distance constraints for SS-bonds  
#
  3 CYSS
         CB     23 CYSS CB      4.00
         CB     23 CYSS SG      3.05
         SG     23 CYSS CB      3.05
         SG     23 CYSS SG      2.04
 17 CYSS
         CB     40 CYSS CB      4.00
         CB     40 CYSS SG      3.05
         SG     40 CYSS CB      3.05
         SG     40 CYSS SG      2.04
 42 CYSS
         CB     53 CYSS CB      4.00
         CB     53 CYSS SG      3.05
         SG     53 CYSS CB      3.05
         SG     53 CYSS SG      2.04
 54 CYSS
         CB     59 CYSS CB      4.00
         CB     59 CYSS SG      3.05
         SG     59 CYSS CB      3.05
         SG     59 CYSS SG      2.04
#---------------------------------------------------------------------

#----------------------------------------------------------------------
#  Dihedral angle constraints for DIANA
   1 LEU   PSI      60.0   140.0
   1 LEU   CHI1    150.0   210.0  
   2 GLU   PHI    -150.0   -90.0
   2 GLU   PSI      60.0   200.0
   3 CYSS  PHI    -148.0   -91.0   
   3 CYSS  PSI      60.0   200.0
   3 CYSS  CHI1    150.0   330.0
   4 HIS   PHI    -167.0   -70.0
   4 HIS   PSI      60.0   200.0
   4 HIS   CHI1    150.0   330.0
   5 ASN   PHI    -140.0  -100.0
   5 ASN   PSI     -90.0   100.0
   6 GLN   PHI    -200.0   -30.0  
   6 GLN   PSI     100.0   200.0
   7 GLN   PHI    -152.0    76.0
   7 GLN   PSI     -90.0   200.0
   8 SER   PHI    -160.0    80.0    
   8 SER   PSI     -90.0   200.0
   8 SER   CHI1    -90.0   -30.0
   9 SER   PHI    -150.0   -80.0
   9 SER   PSI     -90.0    60.0
  10 GLN   PHI    -175.0   -64.0
  10 GLN   PSI      80.0   180.0
  10 GLN   CHI1    150.0   330.0
  11 PRO   PSI      60.0   200.0
  12 PRO   PSI      60.0   200.0
  13 THR   PHI    -160.0   -80.0   
  13 THR   PSI     -90.0   200.0
  14 THR   PHI    -140.0  -100.0
  14 THR   PSI     -90.0   200.0
  14 THR   CHI1    -90.0   -30.0
  15 LYS+  PHI    -170.0   -80.0    
  15 LYS+  PSI     100.0   200.0
  16 THR   PHI    -170.0   -60.0    
  16 THR   PSI      40.0   180.0
  16 THR   CHI1    -90.0   -30.0
  17 CYSS  PHI    -170.0   -70.0   
  17 CYSS  PSI     -60.0   200.0
  17 CYSS  CHI1    150.0   330.0
  18 SER   PHI    -200.0   -30.0    
  18 SER   PSI      40.0   220.0
  20 GLU   PHI    -160.0   -80.0   
  20 GLU   PSI     -90.0   200.0
  21 THR   PHI    -150.0   -90.0    
  21 THR   PSI     -90.0   200.0
  21 THR   CHI1     30.0   210.0
  22 ASN   PHI    -150.0   -90.0
  22 ASN   PSI      80.0   200.0
  22 ASN   CHI1    -90.0   -30.0   
  23 CYSS  PHI    -160.0   -80.0    
  23 CYSS  PSI     120.0   200.0
  23 CYSS  CHI1    -90.0   -30.0
  24 TYR   PHI    -140.0  -100.0
  24 TYR   PSI     -90.0   200.0
  25 LYS+  PHI    -160.0   -80.0   
  25 LYS+  PSI      60.0   200.0
  25 LYS+  CHI1    -90.0    90.0
  26 LYS+  PHI    -151.0   -88.0   
  26 LYS+  PSI      60.0   170.0
  27 TRP   PHI    -160.0   -80.0    
  27 TRP   PSI      80.0   200.0
  27 TRP   CHI1     30.0    90.0   
  28 TRP   PHI    -160.0   -80.0   
  28 TRP   PSI     -90.0   200.0
  28 TRP   CHI1     30.0    90.0   
  29 SER   PHI    -160.0   -80.0  
  29 SER   PSI      60.0   160.0
  30 ASP   PHI    -160.0   -80.0  
  30 ASP   PSI     -90.0   200.0
  31 HIS   PHI    -180.0   -50.0
  31 HIS   PSI     -90.0    40.0
  32 ARG+  PHI    -152.0   -80.0   
  32 ARG+  PSI     -90.0    80.0
  32 ARG+  CHI1    150.0   330.0
  33 GLY   PSI      60.0   300.0
  34 THR   PHI    -160.0   -80.0
  34 THR   PSI     -90.0   200.0
  34 THR   CHI1    -90.0   -30.0
  35 ILE   PHI    -150.0   -90.0
  35 ILE   PSI      60.0   160.0
  35 ILE   CHI1    -90.0   -30.0
  36 ILE   PHI    -160.0   -80.0
  36 ILE   PSI      60.0   200.0
  36 ILE   CHI1    -90.0   -30.0
  37 GLU   PHI    -160.0   -80.0    
  37 GLU   PSI      80.0   200.0
  37 GLU   CHI1    150.0   330.0
  38 ARG+  PHI    -150.0   -90.0
  38 ARG+  PSI     -90.0   200.0
  38 ARG+  CHI1    -90.0    90.0
  40 CYSS  PHI    -160.0   -80.0    
  40 CYSS  PSI      20.0   200.0
  40 CYSS  CHI1    150.0   330.0
  41 GLY   PSI      40.0   300.0
  42 CYSS  PHI    -160.0   -80.0  
  42 CYSS  PSI     -90.0   200.0
  42 CYSS  CHI1    150.0   330.0
  43 PRO   PSI      20.0   180.0 
  44 LYS+  PHI    -154.0   -85.0   
  44 LYS+  PSI      80.0   200.0
  45 VAL   PHI    -160.0   -80.0 
  45 VAL   PSI      80.0   200.0
  45 VAL   CHI1    -90.0    90.0
  46 LYS+  PHI    -180.0   -60.0   
  46 LYS+  PSI     -90.0   200.0
  47 PRO   PSI      40.0   160.0
  48 GLY   PSI     -80.0    80.0
  49 VAL   PHI    -160.0   -80.0
  49 VAL   PSI      60.0   180.0
  49 VAL   CHI1    150.0   210.0
  50 ASN   PHI    -170.0   -70.0   
  50 ASN   PSI      80.0   180.0
  50 ASN   CHI1    -90.0   -30.0   
  51 LEU   PHI    -160.0   -80.0    
  51 LEU   PSI      80.0   200.0
  51 LEU   CHI1    150.0   210.0   
  52 ASN   PHI    -160.0   -80.0    
  52 ASN   PSI      60.0   160.0
  53 CYSS  PHI    -160.0   -80.0  
  53 CYSS  PSI      80.0   180.0
  53 CYSS  CHI1    150.0   330.0
  54 CYSS  PHI    -170.0   -70.0    
  54 CYSS  PSI     100.0   200.0
  55 ARG+  PHI    -160.0   -80.0    
  55 ARG+  PSI     -90.0    80.0 
  55 ARG+  CHI1    -90.0   -30.0 
  55 ARG+  CHI2    150.0   210.0     
  56 THR   PHI    -170.0   -70.0
  56 THR   PSI     140.0   200.0
  56 THR   CHI1     30.0    90.0
  57 ASP   PHI    -200.0   -30.0    
  57 ASP   PSI      80.0   200.0
  58 ARG+  PHI      40.0    80.0   
  58 ARG+  PSI     -20.0   100.0
  58 ARG+  CHI1    150.0   330.0
  59 CYSS  PHI    -170.0   -70.0    
  59 CYSS  PSI     -90.0    40.0
  60 ASN   PHI    -160.0    80.0
  60 ASN   PSI     -90.0   200.0   
  61 ASN   PHI    -160.0   -80.0   


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 456 H/Q atoms
  Start of MODEL    1
    1   1H    LEU   1          1H        LEU   1 -12.827   3.058   6.167
    2   2H    LEU   1          2H        LEU   1 -13.686   4.162   5.651
    3   3H    LEU   1          3H        LEU   1 -14.076   2.742   5.417
    4    HA   LEU   1           HA       LEU   1 -13.224   3.632   3.344
    5   1HB   LEU   1          1HB       LEU   1 -11.803   5.177   4.859
    6   2HB   LEU   1          2HB       LEU   1 -10.578   3.927   4.582
    7    HG   LEU   1           HG       LEU   1 -11.895   4.782   2.122
    8   1HD1  LEU   1          1HD1      LEU   1 -10.457   6.895   3.684
    9   2HD1  LEU   1          2HD1      LEU   1 -10.917   6.987   1.976
   10   3HD1  LEU   1          3HD1      LEU   1 -12.168   6.874   3.226
   11   1HD2  LEU   1          3HD2      LEU   1  -9.001   4.774   3.052
   12   2HD2  LEU   1          1HD2      LEU   1  -9.817   3.450   2.204
   13   3HD2  LEU   1          2HD2      LEU   1  -9.551   4.996   1.382
   14    H    GLU   2           H        GLU   2 -13.014   1.880   2.157
   15    HA   GLU   2           HA       GLU   2 -11.667  -0.485   3.214
   16   1HB   GLU   2          1HB       GLU   2 -14.040  -0.694   2.395
   17   2HB   GLU   2          2HB       GLU   2 -13.456  -0.283   0.773
   18   1HG   GLU   2          1HG       GLU   2 -12.467  -2.318   0.467
   19   2HG   GLU   2          2HG       GLU   2 -12.003  -2.466   2.171
   20    H    CYS   3           H        CYS   3  -9.722  -0.879   2.646
   21    HA   CYS   3           HA       CYS   3  -8.768  -0.120  -0.024
   22   1HB   CYS   3          1HB       CYS   3  -7.351   0.341   2.566
   23   2HB   CYS   3          2HB       CYS   3  -6.554   0.344   0.983
   24    H    HIS   4           H        HIS   4  -6.754  -1.377  -0.525
   25    HA   HIS   4           HA       HIS   4  -7.212  -4.162  -0.121
   26   1HB   HIS   4          1HB       HIS   4  -5.011  -2.638  -1.531
   27   2HB   HIS   4          2HB       HIS   4  -5.088  -4.407  -1.458
   28    HD2  HIS   4           HD2      HIS   4  -6.439  -1.524  -3.586
   29    HE1  HIS   4           HE1      HIS   4  -8.628  -4.982  -4.711
   30    H    ASN   5           H        ASN   5  -5.561  -5.633   0.603
   31    HA   ASN   5           HA       ASN   5  -3.983  -4.568   2.835
   32   1HB   ASN   5          1HB       ASN   5  -6.216  -6.405   2.951
   33   2HB   ASN   5          2HB       ASN   5  -4.732  -7.221   3.474
   34   1HD2  ASN   5          2HD2      ASN   5  -5.727  -5.986   6.575
   35   2HD2  ASN   5          1HD2      ASN   5  -5.819  -7.261   5.539
   36    H    GLN   6           H        GLN   6  -4.519  -7.136   0.503
   37    HA   GLN   6           HA       GLN   6  -2.499  -8.885   0.859
   38   1HB   GLN   6          1HB       GLN   6  -2.344  -8.992  -1.682
   39   2HB   GLN   6          2HB       GLN   6  -3.883  -9.389  -0.900
   40   1HG   GLN   6          1HG       GLN   6  -4.931  -7.503  -1.689
   41   2HG   GLN   6          2HG       GLN   6  -3.441  -6.544  -1.687
   42   1HE2  GLN   6          2HE2      GLN   6  -4.655  -7.349  -5.125
   43   2HE2  GLN   6          1HE2      GLN   6  -5.384  -6.760  -3.772
   44    H    GLN   7           H        GLN   7  -0.362  -9.034   0.087
   45    HA   GLN   7           HA       GLN   7   1.001  -6.547  -0.618
   46   1HB   GLN   7          1HB       GLN   7   2.710  -6.819   0.986
   47   2HB   GLN   7          2HB       GLN   7   1.151  -6.862   1.828
   48   1HG   GLN   7          1HG       GLN   7   1.291  -9.158   2.243
   49   2HG   GLN   7          2HG       GLN   7   2.448  -9.425   0.928
   50   1HE2  GLN   7          2HE2      GLN   7   4.013  -9.593   4.314
   51   2HE2  GLN   7          1HE2      GLN   7   2.660 -10.259   3.655
   52    H    SER   8           H        SER   8   3.044  -6.891  -1.609
   53    HA   SER   8           HA       SER   8   4.548  -7.875  -3.029
   54   1HB   SER   8          1HB       SER   8   3.708 -10.123  -1.291
   55   2HB   SER   8          2HB       SER   8   4.524 -10.515  -2.814
   56    HG   SER   8           HG       SER   8   6.050 -10.332  -1.013
   57    H    SER   9           H        SER   9   2.553 -10.696  -3.112
   58    HA   SER   9           HA       SER   9   1.199  -9.868  -5.550
   59   1HB   SER   9          1HB       SER   9   1.808 -12.108  -6.575
   60   2HB   SER   9          2HB       SER   9   3.120 -10.921  -6.484
   61    HG   SER   9           HG       SER   9   3.845 -13.091  -5.873
   62    H    GLN  10           H        GLN  10   0.257 -10.232  -2.925
   63    HA   GLN  10           HA       GLN  10  -1.022 -12.749  -2.612
   64   1HB   GLN  10          1HB       GLN  10  -0.743 -10.362  -1.061
   65   2HB   GLN  10          2HB       GLN  10  -2.435 -10.886  -1.098
   66   1HG   GLN  10          1HG       GLN  10  -1.982 -12.565   0.313
   67   2HG   GLN  10          2HG       GLN  10  -0.737 -13.187  -0.784
   68   1HE2  GLN  10          2HE2      GLN  10   0.403 -12.020   2.679
   69   2HE2  GLN  10          1HE2      GLN  10  -0.997 -12.747   2.214
   70    HA   PRO  11           HA       PRO  11  -4.741 -12.108  -4.757
   71   1HB   PRO  11          1HB       PRO  11  -6.737 -12.795  -2.951
   72   2HB   PRO  11          2HB       PRO  11  -5.745 -13.947  -3.862
   73   1HG   PRO  11          1HG       PRO  11  -5.629 -13.229  -1.007
   74   2HG   PRO  11          2HG       PRO  11  -4.965 -14.647  -1.836
   75   1HD   PRO  11          2HD       PRO  11  -3.538 -12.341  -0.928
   76   2HD   PRO  11          1HD       PRO  11  -2.896 -13.705  -1.859
   77    HA   PRO  12           HA       PRO  12  -6.618  -8.247  -3.983
   78   1HB   PRO  12          1HB       PRO  12  -9.164  -8.578  -5.041
   79   2HB   PRO  12          2HB       PRO  12  -7.708  -8.292  -6.009
   80   1HG   PRO  12          1HG       PRO  12  -9.267 -10.767  -5.666
   81   2HG   PRO  12          2HG       PRO  12  -8.097 -10.342  -6.927
   82   1HD   PRO  12          2HD       PRO  12  -7.688 -12.075  -4.690
   83   2HD   PRO  12          1HD       PRO  12  -6.486 -11.559  -5.885
   84    H    THR  13           H        THR  13  -6.547  -8.478  -1.735
   85    HA   THR  13           HA       THR  13  -9.116  -9.046  -0.444
   86    HB   THR  13           HB       THR  13  -7.642  -9.246   1.619
   87    HG1  THR  13           HG1      THR  13  -5.335  -9.886   0.878
   88   1HG2  THR  13          3HG2      THR  13  -8.632 -11.207   0.497
   89   2HG2  THR  13          1HG2      THR  13  -7.270 -11.247  -0.635
   90   3HG2  THR  13          2HG2      THR  13  -6.999 -11.561   1.087
   91    H    THR  14           H        THR  14 -10.042  -7.524   0.814
   92    HA   THR  14           HA       THR  14  -8.715  -4.927   1.149
   93    HB   THR  14           HB       THR  14 -11.649  -4.928   0.756
   94    HG1  THR  14           HG1      THR  14 -11.207  -5.119  -1.705
   95   1HG2  THR  14          3HG2      THR  14 -10.354  -2.834   0.904
   96   2HG2  THR  14          1HG2      THR  14  -9.415  -3.314  -0.520
   97   3HG2  THR  14          2HG2      THR  14 -11.150  -2.987  -0.672
   98    H    LYS  15           H        LYS  15  -9.919  -3.571   2.740
   99    HA   LYS  15           HA       LYS  15 -11.343  -4.880   4.841
  100   1HB   LYS  15          1HB       LYS  15  -8.459  -4.815   4.979
  101   2HB   LYS  15          2HB       LYS  15  -9.264  -4.108   6.390
  102   1HG   LYS  15          1HG       LYS  15  -9.721  -6.171   7.136
  103   2HG   LYS  15          2HG       LYS  15 -10.714  -6.452   5.696
  104   1HD   LYS  15          1HD       LYS  15  -8.178  -6.789   4.700
  105   2HD   LYS  15          2HD       LYS  15  -8.006  -7.423   6.346
  106   1HE   LYS  15          1HE       LYS  15 -10.478  -8.369   5.198
  107   2HE   LYS  15          2HE       LYS  15  -9.135  -8.725   4.097
  108   1HZ   LYS  15          1HZ       LYS  15  -9.184  -9.507   6.918
  109   2HZ   LYS  15          2HZ       LYS  15  -9.380 -10.459   5.787
  110   3HZ   LYS  15          3HZ       LYS  15  -8.055  -9.807   5.992
  111    H    THR  16           H        THR  16 -12.082  -3.386   6.378
  112    HA   THR  16           HA       THR  16 -12.064  -0.605   5.490
  113    HB   THR  16           HB       THR  16 -13.873  -2.222   7.341
  114    HG1  THR  16           HG1      THR  16 -15.401  -1.700   5.559
  115   1HG2  THR  16          1HG2      THR  16 -14.154   0.684   6.360
  116   2HG2  THR  16          2HG2      THR  16 -15.317  -0.182   7.377
  117   3HG2  THR  16          3HG2      THR  16 -13.732   0.267   8.029
  118    H    CYS  17           H        CYS  17 -11.170   0.970   6.512
  119    HA   CYS  17           HA       CYS  17  -9.689   0.378   8.959
  120   1HB   CYS  17          1HB       CYS  17  -9.367   2.663   7.002
  121   2HB   CYS  17          2HB       CYS  17  -8.397   2.413   8.463
  122    H    SER  18           H        SER  18  -9.765   1.823  10.683
  123    HA   SER  18           HA       SER  18 -12.251   3.375  10.848
  124   1HB   SER  18          1HB       SER  18 -11.023   1.448  12.694
  125   2HB   SER  18          2HB       SER  18 -11.631   2.939  13.435
  126    HG   SER  18           HG       SER  18 -13.269   1.229  13.412
  127    H    GLY  19           H        GLY  19 -12.065   5.455  11.315
  128   1HA   GLY  19          1HA       GLY  19 -11.261   7.451  12.158
  129   2HA   GLY  19          2HA       GLY  19  -9.862   6.562  12.786
  130    H    GLU  20           H        GLU  20  -8.804   5.436  10.602
  131    HA   GLU  20           HA       GLU  20  -7.633   7.672   9.220
  132   1HB   GLU  20          1HB       GLU  20  -6.269   5.720  10.039
  133   2HB   GLU  20          2HB       GLU  20  -7.076   4.718   8.820
  134   1HG   GLU  20          1HG       GLU  20  -4.802   5.683   8.168
  135   2HG   GLU  20          2HG       GLU  20  -6.129   5.957   7.026
  136    H    THR  21           H        THR  21  -8.260   8.457   7.411
  137    HA   THR  21           HA       THR  21 -10.007   6.876   5.662
  138    HB   THR  21           HB       THR  21 -11.200   8.707   6.696
  139    HG1  THR  21           HG1      THR  21 -11.831   9.736   4.616
  140   1HG2  THR  21          1HG2      THR  21  -9.188  10.486   5.189
  141   2HG2  THR  21          2HG2      THR  21 -10.577  11.060   6.128
  142   3HG2  THR  21          3HG2      THR  21  -9.195  10.319   6.952
  143    H    ASN  22           H        ASN  22  -7.207   6.702   5.532
  144    HA   ASN  22           HA       ASN  22  -6.752   7.580   2.802
  145   1HB   ASN  22          1HB       ASN  22  -4.813   8.162   5.069
  146   2HB   ASN  22          2HB       ASN  22  -4.488   8.413   3.345
  147   1HD2  ASN  22          2HD2      ASN  22  -7.158  10.781   5.361
  148   2HD2  ASN  22          1HD2      ASN  22  -6.857   9.234   5.835
  149    H    CYS  23           H        CYS  23  -5.015   6.415   1.821
  150    HA   CYS  23           HA       CYS  23  -3.858   4.163   3.219
  151   1HB   CYS  23          1HB       CYS  23  -5.115   3.503   0.606
  152   2HB   CYS  23          2HB       CYS  23  -4.801   2.472   2.013
  153    OH   TYR  24           OH       TYR  24   2.204   1.520   5.740
  154    H    TYR  24           H        TYR  24  -2.085   3.291   2.141
  155    HA   TYR  24           HA       TYR  24  -1.072   4.749  -0.174
  156   1HB   TYR  24          1HB       TYR  24   1.021   5.176   1.006
  157   2HB   TYR  24          2HB       TYR  24  -0.288   5.708   2.075
  158    HD1  TYR  24           HD2      TYR  24  -0.811   4.479   4.115
  159    HD2  TYR  24           HD1      TYR  24   2.377   3.244   1.559
  160    HE1  TYR  24           HE2      TYR  24   0.096   2.988   5.955
  161    HE2  TYR  24           HE1      TYR  24   3.276   1.758   3.408
  162    HH   TYR  24           HH       TYR  24   1.569   1.603   6.616
  163    H    LYS  25           H        LYS  25   0.741   3.682  -1.177
  164    HA   LYS  25           HA       LYS  25   0.970   0.813  -0.609
  165   1HB   LYS  25          1HB       LYS  25   1.090   0.520  -3.129
  166   2HB   LYS  25          2HB       LYS  25  -0.482   0.699  -2.332
  167   1HG   LYS  25          1HG       LYS  25  -0.318   3.188  -2.864
  168   2HG   LYS  25          2HG       LYS  25   1.056   2.779  -3.905
  169   1HD   LYS  25          1HD       LYS  25  -1.085   0.980  -4.507
  170   2HD   LYS  25          2HD       LYS  25  -1.733   2.629  -4.507
  171   1HE   LYS  25          1HE       LYS  25   0.495   1.478  -6.190
  172   2HE   LYS  25          2HE       LYS  25  -0.983   2.300  -6.720
  173   1HZ   LYS  25          1HZ       LYS  25   1.228   3.641  -5.348
  174   2HZ   LYS  25          2HZ       LYS  25   0.939   3.790  -6.804
  175   3HZ   LYS  25          3HZ       LYS  25  -0.015   4.333  -5.795
  176    H    LYS  26           H        LYS  26   2.998   0.068  -0.676
  177    HA   LYS  26           HA       LYS  26   5.144   1.755  -1.749
  178   1HB   LYS  26          1HB       LYS  26   6.470   0.798   0.277
  179   2HB   LYS  26          2HB       LYS  26   5.517   2.290   0.369
  180   1HG   LYS  26          1HG       LYS  26   3.771   1.246   1.546
  181   2HG   LYS  26          2HG       LYS  26   4.287  -0.377   1.055
  182   1HD   LYS  26          1HD       LYS  26   4.853  -0.044   3.392
  183   2HD   LYS  26          2HD       LYS  26   6.346  -0.090   2.440
  184   1HE   LYS  26          1HE       LYS  26   6.766   2.168   2.732
  185   2HE   LYS  26          2HE       LYS  26   5.053   2.567   2.947
  186   1HZ   LYS  26          3HZ       LYS  26   5.234   1.535   5.144
  187   2HZ   LYS  26          1HZ       LYS  26   6.675   1.200   4.963
  188   3HZ   LYS  26          2HZ       LYS  26   6.249   2.625   5.065
  189    CH2  TRP  27           CH2      TRP  27   3.987   2.985  -5.987
  190    H    TRP  27           H        TRP  27   6.701   0.654  -2.808
  191    HA   TRP  27           HA       TRP  27   6.921  -2.235  -2.668
  192   1HB   TRP  27          1HB       TRP  27   6.642  -2.599  -5.013
  193   2HB   TRP  27          2HB       TRP  27   5.164  -1.977  -4.259
  194    HD1  TRP  27           HD1      TRP  27   7.496  -1.272  -7.111
  195    HE1  TRP  27           HE1      TRP  27   6.819   0.894  -8.288
  196    HE3  TRP  27           HE3      TRP  27   4.187   0.437  -3.663
  197    HZ2  TRP  27           HZ2      TRP  27   5.099   3.100  -7.855
  198    HZ3  TRP  27           HZ3      TRP  27   3.052   2.607  -4.118
  199    HH2  TRP  27           HH2      TRP  27   3.461   3.923  -6.130
  200    CH2  TRP  28           CH2      TRP  28   9.817  -4.110   1.577
  201    H    TRP  28           H        TRP  28   8.862  -2.941  -3.743
  202    HA   TRP  28           HA       TRP  28  10.769  -1.081  -4.799
  203   1HB   TRP  28          1HB       TRP  28  12.352  -1.030  -3.153
  204   2HB   TRP  28          2HB       TRP  28  10.821  -0.706  -2.323
  205    HD1  TRP  28           HD1      TRP  28  13.505  -3.462  -2.627
  206    HE1  TRP  28           HE1      TRP  28  13.259  -5.057  -0.645
  207    HE3  TRP  28           HE3      TRP  28   9.228  -1.554  -0.671
  208    HZ2  TRP  28           HZ2      TRP  28  11.490  -5.501   1.520
  209    HZ3  TRP  28           HZ3      TRP  28   8.308  -2.628   1.378
  210    HH2  TRP  28           HH2      TRP  28   9.369  -4.536   2.469
  211    H    SER  29           H        SER  29  12.110  -2.181  -6.091
  212    HA   SER  29           HA       SER  29  11.812  -5.046  -6.336
  213   1HB   SER  29          1HB       SER  29  13.680  -3.438  -8.045
  214   2HB   SER  29          2HB       SER  29  12.713  -4.862  -8.465
  215    HG   SER  29           HG       SER  29  11.903  -2.900  -9.514
  216    H    ASP  30           H        ASP  30  13.474  -6.502  -6.232
  217    HA   ASP  30           HA       ASP  30  15.851  -5.627  -4.743
  218   1HB   ASP  30          1HB       ASP  30  15.924  -7.890  -3.787
  219   2HB   ASP  30          2HB       ASP  30  14.421  -7.048  -3.371
  220    H    HIS  31           H        HIS  31  17.177  -8.065  -4.937
  221    HA   HIS  31           HA       HIS  31  18.715  -7.876  -7.175
  222   1HB   HIS  31          1HB       HIS  31  18.286  -9.933  -5.169
  223   2HB   HIS  31          2HB       HIS  31  18.907 -10.507  -6.726
  224    HD2  HIS  31           HD2      HIS  31  19.976  -7.286  -4.639
  225    HE1  HIS  31           HE1      HIS  31  23.426  -9.565  -5.608
  226    NH1  ARG  32           NH2      ARG  32  15.742 -15.492 -12.421
  227    NH2  ARG  32           NH1      ARG  32  17.713 -16.478 -11.705
  228    H    ARG  32           H        ARG  32  16.370 -10.496  -6.759
  229    HA   ARG  32           HA       ARG  32  15.511 -10.177  -9.536
  230   1HB   ARG  32          1HB       ARG  32  16.723 -12.577  -8.246
  231   2HB   ARG  32          2HB       ARG  32  15.341 -12.848  -9.321
  232   1HG   ARG  32          1HG       ARG  32  17.029 -10.999 -10.643
  233   2HG   ARG  32          2HG       ARG  32  18.087 -12.267  -9.998
  234   1HD   ARG  32          1HD       ARG  32  15.577 -13.170 -11.326
  235   2HD   ARG  32          2HD       ARG  32  16.828 -12.482 -12.375
  236    HE   ARG  32           HE       ARG  32  18.253 -14.211 -10.933
  237   1HH1  ARG  32          1HH2      ARG  32  15.199 -14.717 -12.504
  238   2HH1  ARG  32          2HH2      ARG  32  15.435 -16.326 -12.757
  239   1HH2  ARG  32          1HH1      ARG  32  18.562 -16.411 -11.285
  240   2HH2  ARG  32          2HH1      ARG  32  17.413 -17.316 -12.038
  241    H    GLY  33           H        GLY  33  13.982  -9.089  -7.791
  242   1HA   GLY  33          1HA       GLY  33  11.535 -10.468  -7.925
  243   2HA   GLY  33          2HA       GLY  33  12.179 -10.524  -6.274
  244    H    THR  34           H        THR  34   9.954  -9.320  -6.260
  245    HA   THR  34           HA       THR  34  10.533  -6.509  -5.857
  246    HB   THR  34           HB       THR  34   8.477  -7.581  -7.837
  247    HG1  THR  34           HG1      THR  34   9.679  -6.018  -9.215
  248   1HG2  THR  34          3HG2      THR  34   7.506  -5.663  -6.402
  249   2HG2  THR  34          1HG2      THR  34   8.918  -4.695  -6.859
  250   3HG2  THR  34          2HG2      THR  34   7.755  -5.203  -8.095
  251    H    ILE  35           H        ILE  35   9.913  -5.995  -3.973
  252    HA   ILE  35           HA       ILE  35   7.891  -7.564  -2.584
  253    HB   ILE  35           HB       ILE  35   9.929  -5.645  -1.541
  254   1HG1  ILE  35          1HG1      ILE  35  10.170  -8.128  -0.328
  255   2HG1  ILE  35          2HG1      ILE  35   9.795  -8.537  -2.011
  256   1HG2  ILE  35          3HG2      ILE  35   7.938  -5.356  -0.268
  257   2HG2  ILE  35          1HG2      ILE  35   7.787  -7.107  -0.042
  258   3HG2  ILE  35          2HG2      ILE  35   9.156  -6.237   0.670
  259   1HD1  ILE  35          3HD1      ILE  35  11.648  -7.092  -2.775
  260   2HD1  ILE  35          1HD1      ILE  35  12.023  -6.683  -1.093
  261   3HD1  ILE  35          2HD1      ILE  35  12.232  -8.345  -1.668
  262    H    ILE  36           H        ILE  36   5.946  -6.763  -2.144
  263    HA   ILE  36           HA       ILE  36   5.410  -3.903  -2.428
  264    HB   ILE  36           HB       ILE  36   3.711  -6.133  -3.597
  265   1HG1  ILE  36          1HG1      ILE  36   4.477  -4.419  -5.623
  266   2HG1  ILE  36          2HG1      ILE  36   5.947  -4.746  -4.689
  267   1HG2  ILE  36          3HG2      ILE  36   2.366  -4.234  -2.767
  268   2HG2  ILE  36          1HG2      ILE  36   3.373  -3.113  -3.697
  269   3HG2  ILE  36          2HG2      ILE  36   2.357  -4.296  -4.537
  270   1HD1  ILE  36          1HD1      ILE  36   4.037  -6.845  -5.782
  271   2HD1  ILE  36          2HD1      ILE  36   5.624  -6.438  -6.457
  272   3HD1  ILE  36          3HD1      ILE  36   5.507  -7.172  -4.849
  273    H    GLU  37           H        GLU  37   3.891  -3.059  -1.146
  274    HA   GLU  37           HA       GLU  37   2.410  -4.672   0.715
  275   1HB   GLU  37          1HB       GLU  37   4.541  -4.716   1.809
  276   2HB   GLU  37          2HB       GLU  37   4.652  -2.949   1.734
  277   1HG   GLU  37          1HG       GLU  37   3.893  -3.759   3.957
  278   2HG   GLU  37          2HG       GLU  37   2.687  -2.731   3.164
  279    NH1  ARG  38           NH2      ARG  38   2.210  -1.382  -2.564
  280    NH2  ARG  38           NH1      ARG  38   1.754  -1.626  -4.824
  281    H    ARG  38           H        ARG  38   0.665  -3.605   1.433
  282    HA   ARG  38           HA       ARG  38   0.465  -0.714   1.017
  283   1HB   ARG  38          1HB       ARG  38  -1.533  -2.847   0.224
  284   2HB   ARG  38          2HB       ARG  38  -1.974  -1.141   0.413
  285   1HG   ARG  38          1HG       ARG  38  -1.466  -1.106  -1.819
  286   2HG   ARG  38          2HG       ARG  38   0.166  -0.837  -1.181
  287   1HD   ARG  38          1HD       ARG  38   0.631  -3.254  -1.344
  288   2HD   ARG  38          2HD       ARG  38  -1.004  -3.528  -1.971
  289    HE   ARG  38           HE       ARG  38  -0.231  -2.827  -4.019
  290   1HH1  ARG  38          1HH2      ARG  38   1.967  -1.540  -1.659
  291   2HH1  ARG  38          2HH2      ARG  38   3.005  -0.903  -2.766
  292   1HH2  ARG  38          1HH1      ARG  38   1.197  -1.951  -5.522
  293   2HH2  ARG  38          2HH1      ARG  38   2.548  -1.148  -5.034
  294    H    GLY  39           H        GLY  39  -1.435   0.182   2.195
  295   1HA   GLY  39          1HA       GLY  39  -2.718  -1.073   4.317
  296   2HA   GLY  39          2HA       GLY  39  -1.233  -0.330   4.934
  297    H    CYS  40           H        CYS  40  -3.139   0.762   6.115
  298    HA   CYS  40           HA       CYS  40  -4.307   2.994   4.651
  299   1HB   CYS  40          1HB       CYS  40  -4.987   1.579   7.115
  300   2HB   CYS  40          2HB       CYS  40  -5.225   3.335   7.131
  301    H    GLY  41           H        GLY  41  -4.055   5.130   5.522
  302   1HA   GLY  41          1HA       GLY  41  -3.029   6.772   6.892
  303   2HA   GLY  41          2HA       GLY  41  -1.753   5.596   7.251
  304    H    CYS  42           H        CYS  42  -0.294   7.316   6.679
  305    HA   CYS  42           HA       CYS  42   0.611   7.140   3.984
  306   1HB   CYS  42          1HB       CYS  42  -1.094   8.884   3.716
  307   2HB   CYS  42          2HB       CYS  42  -0.336   9.823   5.014
  308    HA   PRO  43           HA       PRO  43   3.940   7.569   6.935
  309   1HB   PRO  43          1HB       PRO  43   5.608   5.795   5.601
  310   2HB   PRO  43          2HB       PRO  43   4.461   5.327   6.868
  311   1HG   PRO  43          1HG       PRO  43   4.316   4.885   3.960
  312   2HG   PRO  43          2HG       PRO  43   3.432   4.074   5.265
  313   1HD   PRO  43          2HD       PRO  43   2.446   6.087   3.490
  314   2HD   PRO  43          1HD       PRO  43   1.603   5.362   4.869
  315    H    LYS  44           H        LYS  44   6.386   7.837   6.385
  316    HA   LYS  44           HA       LYS  44   6.535  10.140   4.661
  317   1HB   LYS  44          1HB       LYS  44   7.862   9.309   6.990
  318   2HB   LYS  44          2HB       LYS  44   9.064   9.543   5.709
  319   1HG   LYS  44          1HG       LYS  44   7.483  11.714   5.294
  320   2HG   LYS  44          2HG       LYS  44   7.297  11.516   7.045
  321   1HD   LYS  44          1HD       LYS  44   9.324  12.405   7.391
  322   2HD   LYS  44          2HD       LYS  44  10.067  11.179   6.350
  323   1HE   LYS  44          1HE       LYS  44  10.637  13.011   5.111
  324   2HE   LYS  44          2HE       LYS  44   9.006  12.788   4.457
  325   1HZ   LYS  44          1HZ       LYS  44   9.652  14.634   6.634
  326   2HZ   LYS  44          2HZ       LYS  44   9.342  15.066   5.240
  327   3HZ   LYS  44          3HZ       LYS  44   8.279  14.446   6.083
  328    H    VAL  45           H        VAL  45   7.471  10.186   2.715
  329    HA   VAL  45           HA       VAL  45   8.159   7.718   1.402
  330    HB   VAL  45           HB       VAL  45   6.822   9.372   0.191
  331   1HG1  VAL  45          3HG1      VAL  45   7.516  11.367   1.334
  332   2HG1  VAL  45          1HG1      VAL  45   9.121  11.269   0.589
  333   3HG1  VAL  45          2HG1      VAL  45   7.692  11.556  -0.419
  334   1HG2  VAL  45          1HG2      VAL  45   8.378   7.991  -1.141
  335   2HG2  VAL  45          2HG2      VAL  45   8.190   9.603  -1.850
  336   3HG2  VAL  45          3HG2      VAL  45   9.646   9.207  -0.922
  337    H    LYS  46           H        LYS  46  10.007   6.846   1.656
  338    HA   LYS  46           HA       LYS  46  12.373   8.467   2.203
  339   1HB   LYS  46          1HB       LYS  46  12.832   7.005   3.715
  340   2HB   LYS  46          2HB       LYS  46  11.444   6.013   3.238
  341   1HG   LYS  46          1HG       LYS  46  12.854   5.009   1.429
  342   2HG   LYS  46          2HG       LYS  46  14.239   5.915   2.061
  343   1HD   LYS  46          1HD       LYS  46  13.416   4.732   4.340
  344   2HD   LYS  46          2HD       LYS  46  12.856   3.524   3.170
  345   1HE   LYS  46          1HE       LYS  46  15.558   4.455   2.571
  346   2HE   LYS  46          2HE       LYS  46  15.440   3.760   4.196
  347   1HZ   LYS  46          1HZ       LYS  46  14.590   2.373   1.763
  348   2HZ   LYS  46          2HZ       LYS  46  15.829   2.038   2.522
  349   3HZ   LYS  46          3HZ       LYS  46  14.491   1.787   3.131
  350    HA   PRO  47           HA       PRO  47  13.885   7.737  -1.808
  351   1HB   PRO  47          1HB       PRO  47  16.607   8.037  -1.339
  352   2HB   PRO  47          2HB       PRO  47  15.457   9.367  -1.562
  353   1HG   PRO  47          1HG       PRO  47  16.764   8.421   0.903
  354   2HG   PRO  47          2HG       PRO  47  15.971   9.972   0.576
  355   1HD   PRO  47          2HD       PRO  47  14.929   7.770   2.075
  356   2HD   PRO  47          1HD       PRO  47  14.093   9.274   1.649
  357    H    GLY  48           H        GLY  48  14.383   6.013  -2.990
  358   1HA   GLY  48          1HA       GLY  48  15.674   4.087  -3.557
  359   2HA   GLY  48          2HA       GLY  48  15.899   3.805  -1.822
  360    H    VAL  49           H        VAL  49  13.035   4.432  -1.361
  361    HA   VAL  49           HA       VAL  49  11.887   1.875  -2.237
  362    HB   VAL  49           HB       VAL  49  11.396   3.394   0.304
  363   1HG1  VAL  49          1HG1      VAL  49  10.226   0.775  -0.705
  364   2HG1  VAL  49          2HG1      VAL  49   9.986   1.462   0.910
  365   3HG1  VAL  49          3HG1      VAL  49   9.339   2.296  -0.512
  366   1HG2  VAL  49          1HG2      VAL  49  13.537   2.305   0.291
  367   2HG2  VAL  49          2HG2      VAL  49  12.414   1.466   1.375
  368   3HG2  VAL  49          3HG2      VAL  49  12.790   0.781  -0.215
  369    H    ASN  50           H        ASN  50   9.896   1.903  -3.145
  370    HA   ASN  50           HA       ASN  50   8.880   4.435  -4.098
  371   1HB   ASN  50          1HB       ASN  50   7.671   1.724  -4.663
  372   2HB   ASN  50          2HB       ASN  50   7.578   3.201  -5.637
  373   1HD2  ASN  50          2HD2      ASN  50   9.864   1.171  -7.456
  374   2HD2  ASN  50          1HD2      ASN  50   8.257   1.324  -7.137
  375    H    LEU  51           H        LEU  51   7.055   5.343  -3.356
  376    HA   LEU  51           HA       LEU  51   5.106   3.865  -1.798
  377   1HB   LEU  51          1HB       LEU  51   6.414   4.331  -0.027
  378   2HB   LEU  51          2HB       LEU  51   6.861   5.937  -0.628
  379    HG   LEU  51           HG       LEU  51   4.332   6.476  -0.259
  380   1HD1  LEU  51          3HD1      LEU  51   3.640   4.167   0.277
  381   2HD1  LEU  51          1HD1      LEU  51   4.757   4.151   1.652
  382   3HD1  LEU  51          2HD1      LEU  51   3.368   5.250   1.652
  383   1HD2  LEU  51          1HD2      LEU  51   6.115   7.609   0.839
  384   2HD2  LEU  51          2HD2      LEU  51   4.807   7.252   1.979
  385   3HD2  LEU  51          3HD2      LEU  51   6.290   6.283   1.999
  386    H    ASN  52           H        ASN  52   3.108   4.767  -1.933
  387    HA   ASN  52           HA       ASN  52   2.768   7.368  -3.211
  388   1HB   ASN  52          1HB       ASN  52   2.594   5.481  -4.918
  389   2HB   ASN  52          2HB       ASN  52   1.150   4.946  -4.039
  390   1HD2  ASN  52          2HD2      ASN  52   0.683   7.471  -6.903
  391   2HD2  ASN  52          1HD2      ASN  52   1.801   6.275  -6.735
  392    H    CYS  53           H        CYS  53   1.210   8.496  -2.229
  393    HA   CYS  53           HA       CYS  53  -0.545   7.167  -0.288
  394   1HB   CYS  53          1HB       CYS  53   0.654   9.891  -0.306
  395   2HB   CYS  53          2HB       CYS  53  -0.799   9.510   0.635
  396    H    CYS  54           H        CYS  54  -2.713   7.573  -0.402
  397    HA   CYS  54           HA       CYS  54  -3.866   9.491  -2.187
  398   1HB   CYS  54          1HB       CYS  54  -5.258   7.578  -3.272
  399   2HB   CYS  54          2HB       CYS  54  -3.656   7.977  -3.917
  400    NH1  ARG  55           NH2      ARG  55  -6.718  14.048   3.834
  401    NH2  ARG  55           NH1      ARG  55  -4.862  15.014   2.836
  402    H    ARG  55           H        ARG  55  -6.229   9.427  -2.036
  403    HA   ARG  55           HA       ARG  55  -7.103   8.477   0.600
  404   1HB   ARG  55          1HB       ARG  55  -8.085  10.945  -0.839
  405   2HB   ARG  55          2HB       ARG  55  -8.544  10.396   0.782
  406   1HG   ARG  55          1HG       ARG  55  -5.935  10.504   1.208
  407   2HG   ARG  55          2HG       ARG  55  -5.975  11.630  -0.160
  408   1HD   ARG  55          1HD       ARG  55  -7.920  12.772   1.159
  409   2HD   ARG  55          2HD       ARG  55  -7.269  11.888   2.550
  410    HE   ARG  55           HE       ARG  55  -5.341  13.424   1.027
  411   1HH1  ARG  55          1HH2      ARG  55  -7.425  13.414   3.805
  412   2HH1  ARG  55          2HH2      ARG  55  -6.623  14.620   4.587
  413   1HH2  ARG  55          1HH1      ARG  55  -4.253  15.070   2.109
  414   2HH2  ARG  55          2HH1      ARG  55  -4.761  15.589   3.586
  415    H    THR  56           H        THR  56  -7.285   7.345  -2.195
  416    HA   THR  56           HA       THR  56 -10.195   7.184  -2.519
  417    HB   THR  56           HB       THR  56  -9.217   5.951  -4.726
  418    HG1  THR  56           HG1      THR  56  -7.137   7.031  -5.263
  419   1HG2  THR  56          1HG2      THR  56  -8.917   8.989  -4.324
  420   2HG2  THR  56          2HG2      THR  56  -9.125   8.166  -5.878
  421   3HG2  THR  56          3HG2      THR  56 -10.461   8.216  -4.717
  422    H    ASP  57           H        ASP  57 -11.251   5.284  -2.613
  423    HA   ASP  57           HA       ASP  57 -10.492   3.326  -0.774
  424   1HB   ASP  57          1HB       ASP  57 -12.716   3.761  -2.628
  425   2HB   ASP  57          2HB       ASP  57 -12.301   2.050  -2.425
  426    NH1  ARG  58           NH2      ARG  58 -12.131  -5.065  -3.885
  427    NH2  ARG  58           NH1      ARG  58 -13.960  -3.667  -3.610
  428    H    ARG  58           H        ARG  58  -9.473   1.412  -1.057
  429    HA   ARG  58           HA       ARG  58  -7.971  -0.079  -1.944
  430   1HB   ARG  58          1HB       ARG  58 -10.330  -0.004  -3.774
  431   2HB   ARG  58          2HB       ARG  58  -8.874  -0.833  -4.351
  432   1HG   ARG  58          1HG       ARG  58  -8.882  -2.095  -2.132
  433   2HG   ARG  58          2HG       ARG  58 -10.507  -1.438  -1.875
  434   1HD   ARG  58          1HD       ARG  58 -10.018  -2.725  -4.511
  435   2HD   ARG  58          2HD       ARG  58 -10.041  -3.805  -3.106
  436    HE   ARG  58           HE       ARG  58 -12.249  -1.933  -3.304
  437   1HH1  ARG  58          1HH2      ARG  58 -11.189  -5.182  -3.915
  438   2HH1  ARG  58          2HH2      ARG  58 -12.707  -5.809  -4.018
  439   1HH2  ARG  58          1HH1      ARG  58 -14.319  -2.803  -3.447
  440   2HH2  ARG  58          2HH1      ARG  58 -14.542  -4.406  -3.742
  441    H    CYS  59           H        CYS  59  -7.504   2.737  -2.453
  442    HA   CYS  59           HA       CYS  59  -6.515   3.057  -5.117
  443   1HB   CYS  59          1HB       CYS  59  -5.809   5.167  -4.541
  444   2HB   CYS  59          2HB       CYS  59  -7.339   4.918  -3.683
  445    H    ASN  60           H        ASN  60  -5.430   1.687  -2.193
  446    HA   ASN  60           HA       ASN  60  -2.615   1.743  -2.956
  447   1HB   ASN  60          1HB       ASN  60  -2.227   0.707  -0.731
  448   2HB   ASN  60          2HB       ASN  60  -3.081   2.256  -0.607
  449   1HD2  ASN  60          2HD2      ASN  60  -4.762   0.058   1.683
  450   2HD2  ASN  60          1HD2      ASN  60  -3.318   0.830   1.517
  451    H    ASN  61           H        ASN  61  -3.052   0.322  -4.763
  452    HA   ASN  61           HA       ASN  61  -3.162  -2.504  -3.986
  453   1HB   ASN  61          1HB       ASN  61  -5.280  -2.094  -5.045
  454   2HB   ASN  61          2HB       ASN  61  -4.517  -1.155  -6.340
  455   1HD2  ASN  61          2HD2      ASN  61  -4.795  -3.980  -8.268
  456   2HD2  ASN  61          1HD2      ASN  61  -5.319  -2.455  -7.945
   
  Start of MODEL           2
 Raw file had 456 H/Q atoms
  Start of MODEL    2
    1   1H    LEU   1          2H        LEU   1 -13.872   3.213   5.516
    2   2H    LEU   1          3H        LEU   1 -12.648   3.777   6.156
    3   3H    LEU   1          1H        LEU   1 -13.622   4.683   5.481
    4    HA   LEU   1           HA       LEU   1 -13.153   3.793   3.294
    5   1HB   LEU   1          1HB       LEU   1 -11.711   5.649   4.533
    6   2HB   LEU   1          2HB       LEU   1 -10.472   4.385   4.462
    7    HG   LEU   1           HG       LEU   1 -11.756   4.798   1.885
    8   1HD1  LEU   1          3HD1      LEU   1 -12.151   7.026   2.624
    9   2HD1  LEU   1          1HD1      LEU   1 -10.454   7.206   3.102
   10   3HD1  LEU   1          2HD1      LEU   1 -10.876   6.994   1.394
   11   1HD2  LEU   1          3HD2      LEU   1  -8.888   5.083   2.853
   12   2HD2  LEU   1          1HD2      LEU   1  -9.622   3.600   2.221
   13   3HD2  LEU   1          2HD2      LEU   1  -9.405   5.003   1.161
   14    H    GLU   2           H        GLU   2 -12.777   2.069   2.247
   15    HA   GLU   2           HA       GLU   2 -11.415  -0.146   3.592
   16   1HB   GLU   2          1HB       GLU   2 -13.909  -0.126   2.442
   17   2HB   GLU   2          2HB       GLU   2 -12.905  -0.734   1.114
   18   1HG   GLU   2          1HG       GLU   2 -11.949  -2.427   2.701
   19   2HG   GLU   2          2HG       GLU   2 -13.114  -1.877   3.918
   20    H    CYS   3           H        CYS   3  -9.567  -0.819   2.922
   21    HA   CYS   3           HA       CYS   3  -8.639  -0.141   0.219
   22   1HB   CYS   3          1HB       CYS   3  -7.091   0.137   2.763
   23   2HB   CYS   3          2HB       CYS   3  -6.370   0.126   1.145
   24    H    HIS   4           H        HIS   4  -6.644  -1.543  -0.239
   25    HA   HIS   4           HA       HIS   4  -7.376  -4.295   0.082
   26   1HB   HIS   4          1HB       HIS   4  -5.161  -2.988  -1.428
   27   2HB   HIS   4          2HB       HIS   4  -5.411  -4.740  -1.332
   28    HD2  HIS   4           HD2      HIS   4  -6.909  -1.619  -3.122
   29    HE1  HIS   4           HE1      HIS   4  -9.038  -5.037  -4.468
   30    H    ASN   5           H        ASN   5  -5.844  -5.887   0.844
   31    HA   ASN   5           HA       ASN   5  -4.045  -4.914   2.953
   32   1HB   ASN   5          1HB       ASN   5  -4.653  -7.386   3.840
   33   2HB   ASN   5          2HB       ASN   5  -5.574  -5.947   4.311
   34   1HD2  ASN   5          2HD2      ASN   5  -8.399  -7.655   3.407
   35   2HD2  ASN   5          1HD2      ASN   5  -7.477  -7.000   4.603
   36    H    GLN   6           H        GLN   6  -4.727  -7.264   0.469
   37    HA   GLN   6           HA       GLN   6  -2.879  -9.189   0.614
   38   1HB   GLN   6          1HB       GLN   6  -2.568  -8.776  -1.958
   39   2HB   GLN   6          2HB       GLN   6  -4.071  -9.423  -1.278
   40   1HG   GLN   6          1HG       GLN   6  -5.249  -7.501  -1.689
   41   2HG   GLN   6          2HG       GLN   6  -3.836  -6.457  -1.451
   42   1HE2  GLN   6          2HE2      GLN   6  -5.053  -6.791  -5.029
   43   2HE2  GLN   6          1HE2      GLN   6  -5.875  -6.663  -3.607
   44    H    GLN   7           H        GLN   7  -0.720  -9.431   0.206
   45    HA   GLN   7           HA       GLN   7   0.898  -6.989   0.016
   46   1HB   GLN   7          1HB       GLN   7   0.874  -8.921   2.074
   47   2HB   GLN   7          2HB       GLN   7   2.416  -9.053   1.212
   48   1HG   GLN   7          1HG       GLN   7   1.889  -6.286   1.467
   49   2HG   GLN   7          2HG       GLN   7   1.525  -7.008   3.045
   50   1HE2  GLN   7          2HE2      GLN   7   4.747  -7.665   3.950
   51   2HE2  GLN   7          1HE2      GLN   7   3.138  -7.749   4.284
   52    H    SER   8           H        SER   8   2.718  -7.080  -1.256
   53    HA   SER   8           HA       SER   8   4.073  -7.667  -3.006
   54   1HB   SER   8          1HB       SER   8   3.494 -10.253  -1.686
   55   2HB   SER   8          2HB       SER   8   4.166 -10.291  -3.326
   56    HG   SER   8           HG       SER   8   5.857 -10.383  -1.673
   57    H    SER   9           H        SER   9   2.290 -10.548  -3.547
   58    HA   SER   9           HA       SER   9   0.695  -9.315  -5.664
   59   1HB   SER   9          1HB       SER   9   2.137 -11.951  -6.013
   60   2HB   SER   9          2HB       SER   9   1.277 -11.007  -7.241
   61    HG   SER   9           HG       SER   9   3.626 -10.828  -7.472
   62    H    GLN  10           H        GLN  10  -0.073 -10.072  -3.062
   63    HA   GLN  10           HA       GLN  10  -1.325 -12.586  -2.938
   64   1HB   GLN  10          1HB       GLN  10  -1.137 -10.270  -1.258
   65   2HB   GLN  10          2HB       GLN  10  -2.796 -10.892  -1.301
   66   1HG   GLN  10          1HG       GLN  10  -2.157 -13.005  -0.498
   67   2HG   GLN  10          2HG       GLN  10  -0.457 -12.760  -0.937
   68   1HE2  GLN  10          2HE2      GLN  10   0.157 -12.180   2.380
   69   2HE2  GLN  10          1HE2      GLN  10   0.349 -13.150   1.065
   70    HA   PRO  11           HA       PRO  11  -5.130 -11.920  -4.982
   71   1HB   PRO  11          1HB       PRO  11  -7.068 -12.705  -3.154
   72   2HB   PRO  11          2HB       PRO  11  -6.074 -13.826  -4.102
   73   1HG   PRO  11          1HG       PRO  11  -5.925 -13.162  -1.236
   74   2HG   PRO  11          2HG       PRO  11  -5.256 -14.556  -2.103
   75   1HD   PRO  11          2HD       PRO  11  -3.846 -12.250  -1.169
   76   2HD   PRO  11          1HD       PRO  11  -3.201 -13.587  -2.137
   77    HA   PRO  12           HA       PRO  12  -7.020  -8.137  -4.098
   78   1HB   PRO  12          1HB       PRO  12  -9.577  -8.478  -5.130
   79   2HB   PRO  12          2HB       PRO  12  -8.138  -8.154  -6.111
   80   1HG   PRO  12          1HG       PRO  12  -9.660 -10.655  -5.796
   81   2HG   PRO  12          2HG       PRO  12  -8.513 -10.191  -7.064
   82   1HD   PRO  12          2HD       PRO  12  -8.051 -11.963  -4.868
   83   2HD   PRO  12          1HD       PRO  12  -6.872 -11.406  -6.068
   84    H    THR  13           H        THR  13  -6.913  -8.421  -1.857
   85    HA   THR  13           HA       THR  13  -9.499  -8.932  -0.552
   86    HB   THR  13           HB       THR  13  -7.877  -9.277   1.499
   87    HG1  THR  13           HG1      THR  13  -5.693  -9.932   0.734
   88   1HG2  THR  13          1HG2      THR  13  -7.598 -11.207  -0.884
   89   2HG2  THR  13          2HG2      THR  13  -7.349 -11.624   0.819
   90   3HG2  THR  13          3HG2      THR  13  -8.976 -11.243   0.230
   91    H    THR  14           H        THR  14 -10.374  -7.494   0.719
   92    HA   THR  14           HA       THR  14  -8.984  -4.937   1.125
   93    HB   THR  14           HB       THR  14 -11.970  -5.020   0.726
   94    HG1  THR  14           HG1      THR  14 -11.564  -4.994  -1.644
   95   1HG2  THR  14          1HG2      THR  14  -9.740  -3.240  -0.429
   96   2HG2  THR  14          2HG2      THR  14 -11.478  -2.910  -0.517
   97   3HG2  THR  14          3HG2      THR  14 -10.639  -2.827   1.041
   98    H    LYS  15           H        LYS  15 -10.117  -3.616   2.800
   99    HA   LYS  15           HA       LYS  15 -11.560  -4.855   4.881
  100   1HB   LYS  15          1HB       LYS  15  -8.861  -5.533   4.891
  101   2HB   LYS  15          2HB       LYS  15  -8.952  -4.179   6.030
  102   1HG   LYS  15          1HG       LYS  15 -10.420  -5.309   7.456
  103   2HG   LYS  15          2HG       LYS  15 -10.955  -6.420   6.184
  104   1HD   LYS  15          1HD       LYS  15  -9.291  -7.884   6.611
  105   2HD   LYS  15          2HD       LYS  15  -8.079  -6.598   6.742
  106   1HE   LYS  15          1HE       LYS  15  -9.571  -6.211   9.022
  107   2HE   LYS  15          2HE       LYS  15  -9.606  -7.975   8.852
  108   1HZ   LYS  15          1HZ       LYS  15  -7.146  -6.391   8.917
  109   2HZ   LYS  15          2HZ       LYS  15  -7.621  -7.239  10.048
  110   3HZ   LYS  15          3HZ       LYS  15  -7.177  -7.875   8.774
  111    H    THR  16           H        THR  16 -11.948  -3.472   6.642
  112    HA   THR  16           HA       THR  16 -12.014  -0.695   5.786
  113    HB   THR  16           HB       THR  16 -13.608  -2.322   7.748
  114    HG1  THR  16           HG1      THR  16 -15.294  -1.518   6.233
  115   1HG2  THR  16          1HG2      THR  16 -13.803   0.687   7.123
  116   2HG2  THR  16          2HG2      THR  16 -14.897  -0.225   8.177
  117   3HG2  THR  16          3HG2      THR  16 -13.221   0.060   8.674
  118    H    CYS  17           H        CYS  17 -10.874   0.844   6.750
  119    HA   CYS  17           HA       CYS  17  -9.031   0.138   8.879
  120   1HB   CYS  17          1HB       CYS  17  -9.226   2.613   7.148
  121   2HB   CYS  17          2HB       CYS  17  -8.028   2.372   8.432
  122    H    SER  18           H        SER  18  -8.822   1.471  10.724
  123    HA   SER  18           HA       SER  18 -11.403   2.420  11.689
  124   1HB   SER  18          1HB       SER  18  -8.886   2.014  13.319
  125   2HB   SER  18          2HB       SER  18 -10.554   2.156  13.902
  126    HG   SER  18           HG       SER  18  -9.775  -0.079  13.983
  127    H    GLY  19           H        GLY  19 -11.815   4.454  12.031
  128   1HA   GLY  19          1HA       GLY  19 -11.607   6.736  11.715
  129   2HA   GLY  19          2HA       GLY  19 -10.417   6.506  13.008
  130    H    GLU  20           H        GLU  20 -10.437   5.594   9.589
  131    HA   GLU  20           HA       GLU  20  -8.263   7.414   8.991
  132   1HB   GLU  20          1HB       GLU  20  -7.135   5.424   9.847
  133   2HB   GLU  20          2HB       GLU  20  -7.914   4.456   8.584
  134   1HG   GLU  20          1HG       GLU  20  -5.551   5.244   8.069
  135   2HG   GLU  20          2HG       GLU  20  -6.774   5.636   6.848
  136    H    THR  21           H        THR  21  -8.569   8.234   7.049
  137    HA   THR  21           HA       THR  21 -10.202   6.791   5.082
  138    HB   THR  21           HB       THR  21 -11.539   8.546   6.022
  139    HG1  THR  21           HG1      THR  21 -11.853   9.752   3.965
  140   1HG2  THR  21          1HG2      THR  21  -9.334  10.434   4.996
  141   2HG2  THR  21          2HG2      THR  21 -10.853  10.934   5.758
  142   3HG2  THR  21          3HG2      THR  21  -9.608  10.117   6.718
  143    H    ASN  22           H        ASN  22  -7.319   6.820   5.406
  144    HA   ASN  22           HA       ASN  22  -6.577   7.761   2.747
  145   1HB   ASN  22          1HB       ASN  22  -5.066   8.355   5.310
  146   2HB   ASN  22          2HB       ASN  22  -4.359   8.511   3.693
  147   1HD2  ASN  22          2HD2      ASN  22  -7.269  11.061   5.029
  148   2HD2  ASN  22          1HD2      ASN  22  -7.075   9.560   5.675
  149    H    CYS  23           H        CYS  23  -4.801   6.624   1.888
  150    HA   CYS  23           HA       CYS  23  -3.645   4.409   3.328
  151   1HB   CYS  23          1HB       CYS  23  -5.333   3.995   0.852
  152   2HB   CYS  23          2HB       CYS  23  -4.241   2.784   1.544
  153    OH   TYR  24           OH       TYR  24   2.627   1.518   5.604
  154    H    TYR  24           H        TYR  24  -1.862   3.502   2.211
  155    HA   TYR  24           HA       TYR  24  -0.811   5.041  -0.031
  156   1HB   TYR  24          1HB       TYR  24   1.234   5.483   1.187
  157   2HB   TYR  24          2HB       TYR  24  -0.078   5.879   2.310
  158    HD1  TYR  24           HD2      TYR  24  -0.578   4.396   4.212
  159    HD2  TYR  24           HD1      TYR  24   2.727   3.651   1.613
  160    HE1  TYR  24           HE2      TYR  24   0.414   2.801   5.918
  161    HE2  TYR  24           HE1      TYR  24   3.707   2.059   3.328
  162    HH   TYR  24           HH       TYR  24   1.976   1.469   6.471
  163    H    LYS  25           H        LYS  25   1.008   4.005  -1.050
  164    HA   LYS  25           HA       LYS  25   1.032   1.086  -0.717
  165   1HB   LYS  25          1HB       LYS  25   1.474   2.497  -3.308
  166   2HB   LYS  25          2HB       LYS  25   1.250   0.765  -3.004
  167   1HG   LYS  25          1HG       LYS  25  -1.026   0.990  -2.603
  168   2HG   LYS  25          2HG       LYS  25  -0.880   2.691  -2.123
  169   1HD   LYS  25          1HD       LYS  25  -1.902   2.812  -4.231
  170   2HD   LYS  25          2HD       LYS  25  -0.191   3.099  -4.592
  171   1HE   LYS  25          1HE       LYS  25  -0.246   1.377  -6.029
  172   2HE   LYS  25          2HE       LYS  25  -0.572   0.289  -4.668
  173   1HZ   LYS  25          1HZ       LYS  25  -2.658   1.650  -6.206
  174   2HZ   LYS  25          2HZ       LYS  25  -2.351   0.196  -6.323
  175   3HZ   LYS  25          3HZ       LYS  25  -2.933   0.735  -5.060
  176    H    LYS  26           H        LYS  26   2.977   0.127  -0.556
  177    HA   LYS  26           HA       LYS  26   5.423   1.689  -0.932
  178   1HB   LYS  26          1HB       LYS  26   6.279   0.556   1.179
  179   2HB   LYS  26          2HB       LYS  26   5.247   1.992   1.295
  180   1HG   LYS  26          1HG       LYS  26   3.358   0.721   1.932
  181   2HG   LYS  26          2HG       LYS  26   4.090  -0.798   1.386
  182   1HD   LYS  26          1HD       LYS  26   5.269   0.840   3.639
  183   2HD   LYS  26          2HD       LYS  26   4.023  -0.388   3.917
  184   1HE   LYS  26          1HE       LYS  26   5.464  -2.106   2.928
  185   2HE   LYS  26          2HE       LYS  26   6.700  -0.887   2.571
  186   1HZ   LYS  26          1HZ       LYS  26   5.851  -1.605   5.278
  187   2HZ   LYS  26          2HZ       LYS  26   7.153  -2.016   4.677
  188   3HZ   LYS  26          3HZ       LYS  26   6.891  -0.578   4.977
  189    CH2  TRP  27           CH2      TRP  27   4.468   3.070  -5.468
  190    H    TRP  27           H        TRP  27   6.873   0.597  -2.062
  191    HA   TRP  27           HA       TRP  27   7.105  -2.272  -1.970
  192   1HB   TRP  27          1HB       TRP  27   6.844  -2.607  -4.357
  193   2HB   TRP  27          2HB       TRP  27   5.358  -1.916  -3.683
  194    HD1  TRP  27           HD1      TRP  27   7.940  -1.273  -6.346
  195    HE1  TRP  27           HE1      TRP  27   7.425   0.923  -7.548
  196    HE3  TRP  27           HE3      TRP  27   4.401   0.494  -3.168
  197    HZ2  TRP  27           HZ2      TRP  27   5.735   3.171  -7.236
  198    HZ3  TRP  27           HZ3      TRP  27   3.369   2.699  -3.689
  199    HH2  TRP  27           HH2      TRP  27   3.983   4.025  -5.643
  200    CH2  TRP  28           CH2      TRP  28   9.620  -4.686   2.057
  201    H    TRP  28           H        TRP  28   9.004  -2.986  -3.133
  202    HA   TRP  28           HA       TRP  28  10.995  -1.067  -3.915
  203   1HB   TRP  28          1HB       TRP  28  12.538  -1.318  -2.232
  204   2HB   TRP  28          2HB       TRP  28  10.995  -0.980  -1.429
  205    HD1  TRP  28           HD1      TRP  28  13.499  -3.873  -1.942
  206    HE1  TRP  28           HE1      TRP  28  13.070  -5.645  -0.149
  207    HE3  TRP  28           HE3      TRP  28   9.295  -1.875   0.077
  208    HZ2  TRP  28           HZ2      TRP  28  11.195  -6.183   1.901
  209    HZ3  TRP  28           HZ3      TRP  28   8.226  -3.086   1.972
  210    HH2  TRP  28           HH2      TRP  28   9.110  -5.168   2.885
  211    H    SER  29           H        SER  29  12.393  -2.045  -5.260
  212    HA   SER  29           HA       SER  29  11.952  -4.780  -6.022
  213   1HB   SER  29          1HB       SER  29  14.102  -3.036  -7.161
  214   2HB   SER  29          2HB       SER  29  13.215  -4.372  -7.915
  215    HG   SER  29           HG       SER  29  12.537  -2.267  -8.762
  216    H    ASP  30           H        ASP  30  13.426  -6.421  -5.856
  217    HA   ASP  30           HA       ASP  30  15.617  -6.033  -3.953
  218   1HB   ASP  30          1HB       ASP  30  15.438  -8.341  -3.380
  219   2HB   ASP  30          2HB       ASP  30  13.810  -7.644  -3.318
  220    H    HIS  31           H        HIS  31  16.926  -8.418  -4.494
  221    HA   HIS  31           HA       HIS  31  18.750  -7.819  -6.447
  222   1HB   HIS  31          1HB       HIS  31  18.097 -10.213  -4.921
  223   2HB   HIS  31          2HB       HIS  31  18.959 -10.471  -6.448
  224    HD2  HIS  31           HD2      HIS  31  20.554  -7.367  -5.702
  225    HE1  HIS  31           HE1      HIS  31  22.532  -9.982  -3.006
  226    NH1  ARG  32           NH2      ARG  32  16.651 -10.719 -14.537
  227    NH2  ARG  32           NH1      ARG  32  18.774 -11.579 -14.896
  228    H    ARG  32           H        ARG  32  16.280 -10.345  -6.744
  229    HA   ARG  32           HA       ARG  32  15.835  -9.594  -9.530
  230   1HB   ARG  32          1HB       ARG  32  16.842 -12.194  -8.494
  231   2HB   ARG  32          2HB       ARG  32  15.569 -12.275  -9.723
  232   1HG   ARG  32          1HG       ARG  32  17.761 -10.361 -10.284
  233   2HG   ARG  32          2HG       ARG  32  18.221 -12.073 -10.296
  234   1HD   ARG  32          1HD       ARG  32  16.112 -12.386 -11.796
  235   2HD   ARG  32          2HD       ARG  32  16.221 -10.634 -12.039
  236    HE   ARG  32           HE       ARG  32  18.643 -12.173 -12.516
  237   1HH1  ARG  32          1HH2      ARG  32  15.926 -10.554 -13.946
  238   2HH1  ARG  32          2HH2      ARG  32  16.597 -10.444 -15.445
  239   1HH2  ARG  32          1HH1      ARG  32  19.550 -12.019 -14.570
  240   2HH2  ARG  32          2HH1      ARG  32  18.728 -11.307 -15.806
  241    H    GLY  33           H        GLY  33  14.154  -8.770  -7.697
  242   1HA   GLY  33          1HA       GLY  33  11.701 -10.030  -8.386
  243   2HA   GLY  33          2HA       GLY  33  12.130 -10.281  -6.685
  244    H    THR  34           H        THR  34  10.010  -9.054  -6.597
  245    HA   THR  34           HA       THR  34  10.559  -6.298  -5.933
  246    HB   THR  34           HB       THR  34   8.672  -7.157  -8.164
  247    HG1  THR  34           HG1      THR  34   9.946  -5.433  -9.256
  248   1HG2  THR  34          3HG2      THR  34   7.544  -5.422  -6.614
  249   2HG2  THR  34          1HG2      THR  34   8.966  -4.391  -6.842
  250   3HG2  THR  34          2HG2      THR  34   7.920  -4.774  -8.219
  251    H    ILE  35           H        ILE  35   9.811  -5.959  -4.057
  252    HA   ILE  35           HA       ILE  35   7.580  -7.556  -3.048
  253    HB   ILE  35           HB       ILE  35   9.670  -5.910  -1.586
  254   1HG1  ILE  35          1HG1      ILE  35   9.214  -8.901  -1.491
  255   2HG1  ILE  35          2HG1      ILE  35  10.359  -8.144  -2.612
  256   1HG2  ILE  35          3HG2      ILE  35   7.601  -5.721  -0.422
  257   2HG2  ILE  35          1HG2      ILE  35   7.394  -7.480  -0.433
  258   3HG2  ILE  35          2HG2      ILE  35   8.729  -6.752   0.475
  259   1HD1  ILE  35          1HD1      ILE  35  10.424  -7.905   0.418
  260   2HD1  ILE  35          2HD1      ILE  35  11.501  -8.914  -0.564
  261   3HD1  ILE  35          3HD1      ILE  35  11.569  -7.149  -0.702
  262    H    ILE  36           H        ILE  36   5.725  -6.769  -2.517
  263    HA   ILE  36           HA       ILE  36   5.318  -3.870  -2.627
  264    HB   ILE  36           HB       ILE  36   3.375  -5.895  -3.771
  265   1HG1  ILE  36          1HG1      ILE  36   4.231  -4.639  -5.967
  266   2HG1  ILE  36          2HG1      ILE  36   5.722  -4.522  -5.014
  267   1HG2  ILE  36          1HG2      ILE  36   3.461  -2.906  -3.966
  268   2HG2  ILE  36          2HG2      ILE  36   2.318  -3.977  -4.793
  269   3HG2  ILE  36          3HG2      ILE  36   2.328  -3.890  -3.024
  270   1HD1  ILE  36          3HD1      ILE  36   5.704  -6.970  -4.686
  271   2HD1  ILE  36          1HD1      ILE  36   4.216  -7.088  -5.638
  272   3HD1  ILE  36          2HD1      ILE  36   5.719  -6.557  -6.409
  273    H    GLU  37           H        GLU  37   3.699  -3.044  -1.384
  274    HA   GLU  37           HA       GLU  37   2.198  -4.652   0.432
  275   1HB   GLU  37          1HB       GLU  37   4.205  -4.816   1.696
  276   2HB   GLU  37          2HB       GLU  37   4.620  -3.119   1.398
  277   1HG   GLU  37          1HG       GLU  37   3.796  -3.343   3.671
  278   2HG   GLU  37          2HG       GLU  37   2.607  -2.444   2.713
  279    NH1  ARG  38           NH2      ARG  38   1.208  -1.396  -3.930
  280    NH2  ARG  38           NH1      ARG  38   0.069  -2.268  -5.752
  281    H    ARG  38           H        ARG  38   0.437  -3.676   1.013
  282    HA   ARG  38           HA       ARG  38   0.235  -0.769   0.675
  283   1HB   ARG  38          1HB       ARG  38  -1.786  -2.910  -0.049
  284   2HB   ARG  38          2HB       ARG  38  -2.179  -1.186   0.058
  285   1HG   ARG  38          1HG       ARG  38  -1.692  -1.325  -2.188
  286   2HG   ARG  38          2HG       ARG  38  -0.074  -0.974  -1.558
  287   1HD   ARG  38          1HD       ARG  38   0.677  -3.143  -1.894
  288   2HD   ARG  38          2HD       ARG  38  -0.949  -3.837  -1.769
  289    HE   ARG  38           HE       ARG  38  -1.142  -3.547  -4.041
  290   1HH1  ARG  38          1HH2      ARG  38   1.344  -1.362  -2.991
  291   2HH1  ARG  38          2HH2      ARG  38   1.736  -0.855  -4.506
  292   1HH2  ARG  38          1HH1      ARG  38  -0.595  -2.845  -6.108
  293   2HH2  ARG  38          2HH1      ARG  38   0.593  -1.731  -6.334
  294    H    GLY  39           H        GLY  39  -1.229   0.284   2.039
  295   1HA   GLY  39          1HA       GLY  39  -2.650  -0.992   4.128
  296   2HA   GLY  39          2HA       GLY  39  -1.124  -0.304   4.708
  297    H    CYS  40           H        CYS  40  -3.015   0.821   5.929
  298    HA   CYS  40           HA       CYS  40  -4.140   3.098   4.512
  299   1HB   CYS  40          1HB       CYS  40  -4.804   1.668   6.951
  300   2HB   CYS  40          2HB       CYS  40  -4.903   3.434   7.079
  301    H    GLY  41           H        GLY  41  -3.833   5.228   5.445
  302   1HA   GLY  41          1HA       GLY  41  -2.691   6.818   6.789
  303   2HA   GLY  41          2HA       GLY  41  -1.407   5.619   7.019
  304    H    CYS  42           H        CYS  42  -0.219   7.677   6.404
  305    HA   CYS  42           HA       CYS  42   0.579   7.490   3.629
  306   1HB   CYS  42          1HB       CYS  42  -1.170   9.102   3.468
  307   2HB   CYS  42          2HB       CYS  42  -0.427  10.076   4.749
  308    HA   PRO  43           HA       PRO  43   4.002   8.061   6.532
  309   1HB   PRO  43          1HB       PRO  43   5.680   6.231   5.281
  310   2HB   PRO  43          2HB       PRO  43   4.583   5.859   6.623
  311   1HG   PRO  43          1HG       PRO  43   4.345   5.172   3.768
  312   2HG   PRO  43          2HG       PRO  43   3.517   4.465   5.166
  313   1HD   PRO  43          2HD       PRO  43   2.445   6.311   3.264
  314   2HD   PRO  43          1HD       PRO  43   1.658   5.695   4.727
  315    H    LYS  44           H        LYS  44   6.416   8.439   5.932
  316    HA   LYS  44           HA       LYS  44   6.472  10.518   3.938
  317   1HB   LYS  44          1HB       LYS  44   7.790  10.068   6.368
  318   2HB   LYS  44          2HB       LYS  44   9.012  10.171   5.088
  319   1HG   LYS  44          1HG       LYS  44   7.426  12.207   4.325
  320   2HG   LYS  44          2HG       LYS  44   7.092  12.230   6.065
  321   1HD   LYS  44          1HD       LYS  44   9.950  11.980   5.326
  322   2HD   LYS  44          2HD       LYS  44   9.187  13.521   4.897
  323   1HE   LYS  44          1HE       LYS  44   8.437  13.811   7.221
  324   2HE   LYS  44          2HE       LYS  44   9.163  12.254   7.658
  325   1HZ   LYS  44          3HZ       LYS  44  11.306  13.247   7.071
  326   2HZ   LYS  44          1HZ       LYS  44  10.696  14.558   6.703
  327   3HZ   LYS  44          2HZ       LYS  44  10.680  14.099   8.122
  328    H    VAL  45           H        VAL  45   7.542  10.417   2.046
  329    HA   VAL  45           HA       VAL  45   8.286   7.838   1.007
  330    HB   VAL  45           HB       VAL  45   6.989   9.511  -0.338
  331   1HG1  VAL  45          1HG1      VAL  45   9.529  11.118  -0.267
  332   2HG1  VAL  45          2HG1      VAL  45   8.113  11.447  -1.279
  333   3HG1  VAL  45          3HG1      VAL  45   7.981  11.538   0.485
  334   1HG2  VAL  45          1HG2      VAL  45   8.300   7.756  -1.481
  335   2HG2  VAL  45          2HG2      VAL  45   8.297   9.261  -2.416
  336   3HG2  VAL  45          3HG2      VAL  45   9.724   8.809  -1.468
  337    H    LYS  46           H        LYS  46  10.122   6.993   1.381
  338    HA   LYS  46           HA       LYS  46  12.469   8.674   1.839
  339   1HB   LYS  46          1HB       LYS  46  12.886   7.249   3.518
  340   2HB   LYS  46          2HB       LYS  46  11.486   6.261   3.062
  341   1HG   LYS  46          1HG       LYS  46  12.945   5.181   1.302
  342   2HG   LYS  46          2HG       LYS  46  14.323   6.035   2.017
  343   1HD   LYS  46          1HD       LYS  46  12.987   4.812   4.175
  344   2HD   LYS  46          2HD       LYS  46  13.026   3.595   2.887
  345   1HE   LYS  46          1HE       LYS  46  15.580   4.738   2.845
  346   2HE   LYS  46          2HE       LYS  46  15.193   4.587   4.567
  347   1HZ   LYS  46          3HZ       LYS  46  14.738   2.239   4.114
  348   2HZ   LYS  46          1HZ       LYS  46  15.065   2.366   2.665
  349   3HZ   LYS  46          2HZ       LYS  46  16.138   2.525   3.688
  350    HA   PRO  47           HA       PRO  47  14.191   7.709  -1.963
  351   1HB   PRO  47          1HB       PRO  47  16.880   8.013  -1.345
  352   2HB   PRO  47          2HB       PRO  47  15.771   9.356  -1.670
  353   1HG   PRO  47          1HG       PRO  47  16.928   8.464   0.888
  354   2HG   PRO  47          2HG       PRO  47  16.185  10.018   0.472
  355   1HD   PRO  47          2HD       PRO  47  15.023   7.885   1.982
  356   2HD   PRO  47          1HD       PRO  47  14.240   9.390   1.468
  357    H    GLY  48           H        GLY  48  14.699   5.976  -3.047
  358   1HA   GLY  48          1HA       GLY  48  15.904   3.994  -3.523
  359   2HA   GLY  48          2HA       GLY  48  16.176   3.804  -1.782
  360    H    VAL  49           H        VAL  49  13.310   4.496  -1.315
  361    HA   VAL  49           HA       VAL  49  12.130   1.898  -2.012
  362    HB   VAL  49           HB       VAL  49  11.643   3.545   0.452
  363   1HG1  VAL  49          3HG1      VAL  49   9.634   2.420  -0.240
  364   2HG1  VAL  49          1HG1      VAL  49  10.508   0.887  -0.381
  365   3HG1  VAL  49          2HG1      VAL  49  10.317   1.653   1.204
  366   1HG2  VAL  49          3HG2      VAL  49  13.083   0.900   0.036
  367   2HG2  VAL  49          1HG2      VAL  49  13.854   2.442   0.445
  368   3HG2  VAL  49          2HG2      VAL  49  12.757   1.666   1.600
  369    H    ASN  50           H        ASN  50  10.075   1.894  -2.802
  370    HA   ASN  50           HA       ASN  50   9.070   4.369  -3.902
  371   1HB   ASN  50          1HB       ASN  50   7.948   1.565  -4.194
  372   2HB   ASN  50          2HB       ASN  50   7.522   2.987  -5.161
  373   1HD2  ASN  50          2HD2      ASN  50  10.431   0.581  -6.270
  374   2HD2  ASN  50          1HD2      ASN  50   9.239   0.242  -5.186
  375    H    LEU  51           H        LEU  51   7.394   5.427  -3.056
  376    HA   LEU  51           HA       LEU  51   5.468   4.114  -1.313
  377   1HB   LEU  51          1HB       LEU  51   6.923   4.707   0.315
  378   2HB   LEU  51          2HB       LEU  51   7.293   6.271  -0.431
  379    HG   LEU  51           HG       LEU  51   5.106   7.121   0.194
  380   1HD1  LEU  51          3HD1      LEU  51   3.822   5.013   0.055
  381   2HD1  LEU  51          1HD1      LEU  51   4.677   4.398   1.479
  382   3HD1  LEU  51          2HD1      LEU  51   3.598   5.793   1.629
  383   1HD2  LEU  51          1HD2      LEU  51   6.907   7.471   1.709
  384   2HD2  LEU  51          2HD2      LEU  51   5.390   7.222   2.590
  385   3HD2  LEU  51          3HD2      LEU  51   6.588   5.920   2.503
  386    H    ASN  52           H        ASN  52   3.490   4.841  -1.720
  387    HA   ASN  52           HA       ASN  52   3.106   7.418  -3.053
  388   1HB   ASN  52          1HB       ASN  52   2.938   5.353  -4.605
  389   2HB   ASN  52          2HB       ASN  52   1.435   4.999  -3.737
  390   1HD2  ASN  52          2HD2      ASN  52   0.608   6.898  -6.735
  391   2HD2  ASN  52          1HD2      ASN  52   1.316   5.456  -6.372
  392    H    CYS  53           H        CYS  53   1.156   8.419  -2.537
  393    HA   CYS  53           HA       CYS  53  -0.401   7.256  -0.331
  394   1HB   CYS  53          1HB       CYS  53   0.519  10.071  -0.692
  395   2HB   CYS  53          2HB       CYS  53  -0.832   9.620   0.361
  396    H    CYS  54           H        CYS  54  -2.609   7.609  -0.431
  397    HA   CYS  54           HA       CYS  54  -3.850   9.134  -2.510
  398   1HB   CYS  54          1HB       CYS  54  -5.145   7.123  -3.349
  399   2HB   CYS  54          2HB       CYS  54  -3.461   7.260  -3.885
  400    NH1  ARG  55           NH2      ARG  55  -6.925  14.953   2.163
  401    NH2  ARG  55           NH1      ARG  55  -4.646  15.168   1.802
  402    H    ARG  55           H        ARG  55  -6.216   8.977  -2.326
  403    HA   ARG  55           HA       ARG  55  -7.085   8.334   0.400
  404   1HB   ARG  55          1HB       ARG  55  -7.829  10.813  -1.163
  405   2HB   ARG  55          2HB       ARG  55  -8.471  10.347   0.422
  406   1HG   ARG  55          1HG       ARG  55  -6.017  10.312   1.204
  407   2HG   ARG  55          2HG       ARG  55  -5.658  11.187  -0.295
  408   1HD   ARG  55          1HD       ARG  55  -7.610  12.767   0.504
  409   2HD   ARG  55          2HD       ARG  55  -7.248  12.080   2.097
  410    HE   ARG  55           HE       ARG  55  -4.837  12.875   0.946
  411   1HH1  ARG  55          1HH2      ARG  55  -7.715  14.428   2.111
  412   2HH1  ARG  55          2HH2      ARG  55  -6.963  15.835   2.514
  413   1HH2  ARG  55          1HH1      ARG  55  -3.822  14.804   1.500
  414   2HH2  ARG  55          2HH1      ARG  55  -4.676  16.051   2.152
  415    H    THR  56           H        THR  56  -7.346   7.057  -2.306
  416    HA   THR  56           HA       THR  56 -10.256   7.075  -2.625
  417    HB   THR  56           HB       THR  56  -9.412   5.779  -4.819
  418    HG1  THR  56           HG1      THR  56  -7.331   6.814  -5.435
  419   1HG2  THR  56          1HG2      THR  56  -9.025   8.807  -4.415
  420   2HG2  THR  56          2HG2      THR  56  -9.313   7.998  -5.965
  421   3HG2  THR  56          3HG2      THR  56 -10.602   8.073  -4.751
  422    H    ASP  57           H        ASP  57 -11.374   5.148  -2.629
  423    HA   ASP  57           HA       ASP  57 -10.582   3.151  -0.836
  424   1HB   ASP  57          1HB       ASP  57 -12.962   3.831  -1.831
  425   2HB   ASP  57          2HB       ASP  57 -12.582   2.514  -2.955
  426    NH1  ARG  58           NH2      ARG  58 -12.964  -3.611  -5.488
  427    NH2  ARG  58           NH1      ARG  58 -14.603  -2.958  -3.986
  428    H    ARG  58           H        ARG  58  -9.643   1.216  -1.160
  429    HA   ARG  58           HA       ARG  58  -8.229  -0.323  -2.102
  430   1HB   ARG  58          1HB       ARG  58 -10.567  -0.092  -3.965
  431   2HB   ARG  58          2HB       ARG  58  -9.163  -1.046  -4.472
  432   1HG   ARG  58          1HG       ARG  58  -9.336  -2.301  -2.292
  433   2HG   ARG  58          2HG       ARG  58 -10.862  -1.451  -1.993
  434   1HD   ARG  58          1HD       ARG  58 -10.716  -2.690  -4.656
  435   2HD   ARG  58          2HD       ARG  58 -10.607  -3.857  -3.328
  436    HE   ARG  58           HE       ARG  58 -12.690  -2.394  -2.555
  437   1HH1  ARG  58          1HH2      ARG  58 -12.043  -3.714  -5.700
  438   2HH1  ARG  58          2HH2      ARG  58 -13.628  -3.863  -6.119
  439   1HH2  ARG  58          1HH1      ARG  58 -14.852  -2.602  -3.141
  440   2HH2  ARG  58          2HH1      ARG  58 -15.273  -3.208  -4.611
  441    H    CYS  59           H        CYS  59  -7.684   2.501  -2.573
  442    HA   CYS  59           HA       CYS  59  -6.755   2.908  -5.224
  443   1HB   CYS  59          1HB       CYS  59  -5.738   4.879  -4.482
  444   2HB   CYS  59          2HB       CYS  59  -7.340   4.746  -3.735
  445    H    ASN  60           H        ASN  60  -5.484   1.549  -2.289
  446    HA   ASN  60           HA       ASN  60  -2.812   1.234  -3.413
  447   1HB   ASN  60          1HB       ASN  60  -2.236   0.340  -1.157
  448   2HB   ASN  60          2HB       ASN  60  -2.870   1.993  -1.100
  449   1HD2  ASN  60          2HD2      ASN  60  -4.528   0.412   1.617
  450   2HD2  ASN  60          1HD2      ASN  60  -3.067   1.037   1.188
  451    H    ASN  61           H        ASN  61  -3.621  -0.289  -4.995
  452    HA   ASN  61           HA       ASN  61  -4.051  -2.989  -3.917
  453   1HB   ASN  61          1HB       ASN  61  -6.052  -2.211  -5.117
  454   2HB   ASN  61          2HB       ASN  61  -5.061  -1.816  -6.532
  455   1HD2  ASN  61          2HD2      ASN  61  -6.645  -5.012  -7.178
  456   2HD2  ASN  61          1HD2      ASN  61  -7.098  -3.449  -6.933
   
  Start of MODEL           3
 Raw file had 456 H/Q atoms
  Start of MODEL    3
    1   1H    LEU   1          3H        LEU   1 -14.521   2.993   5.001
    2   2H    LEU   1          1H        LEU   1 -13.502   3.464   5.983
    3   3H    LEU   1          2H        LEU   1 -14.251   4.452   5.154
    4    HA   LEU   1           HA       LEU   1 -13.226   3.713   3.099
    5   1HB   LEU   1          1HB       LEU   1 -12.268   5.491   4.723
    6   2HB   LEU   1          2HB       LEU   1 -10.967   4.298   4.879
    7    HG   LEU   1           HG       LEU   1 -11.754   4.912   2.108
    8   1HD1  LEU   1          1HD1      LEU   1 -10.542   7.085   3.776
    9   2HD1  LEU   1          2HD1      LEU   1 -10.658   7.062   2.008
   10   3HD1  LEU   1          3HD1      LEU   1 -12.131   7.089   2.992
   11   1HD2  LEU   1          1HD2      LEU   1  -9.799   3.517   2.687
   12   2HD2  LEU   1          2HD2      LEU   1  -9.303   4.986   1.831
   13   3HD2  LEU   1          3HD2      LEU   1  -9.098   4.872   3.587
   14    H    GLU   2           H        GLU   2 -12.655   1.872   2.201
   15    HA   GLU   2           HA       GLU   2 -11.430  -0.244   3.812
   16   1HB   GLU   2          1HB       GLU   2 -12.566  -1.811   2.594
   17   2HB   GLU   2          2HB       GLU   2 -13.693  -0.463   2.372
   18   1HG   GLU   2          1HG       GLU   2 -12.363   0.116   0.270
   19   2HG   GLU   2          2HG       GLU   2 -11.575  -1.460   0.455
   20    H    CYS   3           H        CYS   3  -9.441  -0.740   3.521
   21    HA   CYS   3           HA       CYS   3  -8.055   0.129   1.079
   22   1HB   CYS   3          1HB       CYS   3  -6.863  -0.214   3.801
   23   2HB   CYS   3          2HB       CYS   3  -6.028   0.290   2.322
   24    H    HIS   4           H        HIS   4  -6.264  -1.303   0.483
   25    HA   HIS   4           HA       HIS   4  -7.064  -4.052   0.458
   26   1HB   HIS   4          1HB       HIS   4  -5.024  -2.460  -0.949
   27   2HB   HIS   4          2HB       HIS   4  -4.812  -4.215  -0.826
   28    HD2  HIS   4           HD2      HIS   4  -6.660  -1.685  -2.989
   29    HE1  HIS   4           HE1      HIS   4  -8.490  -5.440  -3.751
   30    H    ASN   5           H        ASN   5  -5.657  -5.771   1.113
   31    HA   ASN   5           HA       ASN   5  -3.889  -5.107   3.361
   32   1HB   ASN   5          1HB       ASN   5  -4.552  -7.639   3.939
   33   2HB   ASN   5          2HB       ASN   5  -5.521  -6.264   4.500
   34   1HD2  ASN   5          2HD2      ASN   5  -8.256  -7.900   3.244
   35   2HD2  ASN   5          1HD2      ASN   5  -7.419  -7.375   4.560
   36    H    GLN   6           H        GLN   6  -4.583  -7.321   0.718
   37    HA   GLN   6           HA       GLN   6  -2.475  -9.068   0.837
   38   1HB   GLN   6          1HB       GLN   6  -2.607  -9.004  -1.751
   39   2HB   GLN   6          2HB       GLN   6  -4.038  -9.536  -0.852
   40   1HG   GLN   6          1HG       GLN   6  -5.263  -7.741  -1.499
   41   2HG   GLN   6          2HG       GLN   6  -3.900  -6.624  -1.318
   42   1HE2  GLN   6          2HE2      GLN   6  -4.071  -6.275  -4.737
   43   2HE2  GLN   6          1HE2      GLN   6  -4.386  -5.624  -3.258
   44    H    GLN   7           H        GLN   7  -0.453  -9.146  -0.087
   45    HA   GLN   7           HA       GLN   7   0.791  -6.612  -0.829
   46   1HB   GLN   7          1HB       GLN   7   2.602  -6.840   0.663
   47   2HB   GLN   7          2HB       GLN   7   1.105  -6.961   1.604
   48   1HG   GLN   7          1HG       GLN   7   2.151  -9.537   0.598
   49   2HG   GLN   7          2HG       GLN   7   3.191  -8.723   1.780
   50   1HE2  GLN   7          2HE2      GLN   7   1.379  -9.682   4.471
   51   2HE2  GLN   7          1HE2      GLN   7   2.794  -9.195   3.788
   52    H    SER   8           H        SER   8   2.870  -6.923  -1.850
   53    HA   SER   8           HA       SER   8   4.317  -7.858  -3.359
   54   1HB   SER   8          1HB       SER   8   3.492 -10.177  -1.708
   55   2HB   SER   8          2HB       SER   8   4.279 -10.497  -3.263
   56    HG   SER   8           HG       SER   8   5.837 -10.414  -1.483
   57    H    SER   9           H        SER   9   2.311 -10.659  -3.523
   58    HA   SER   9           HA       SER   9   0.873  -9.709  -5.866
   59   1HB   SER   9          1HB       SER   9   3.149 -11.461  -5.986
   60   2HB   SER   9          2HB       SER   9   1.695 -12.364  -6.447
   61    HG   SER   9           HG       SER   9   2.755 -11.375  -8.318
   62    H    GLN  10           H        GLN  10   0.126 -10.314  -3.163
   63    HA   GLN  10           HA       GLN  10  -1.158 -12.818  -2.967
   64   1HB   GLN  10          1HB       GLN  10  -0.805 -10.549  -1.290
   65   2HB   GLN  10          2HB       GLN  10  -2.518 -11.000  -1.320
   66   1HG   GLN  10          1HG       GLN  10  -1.933 -12.535   0.234
   67   2HG   GLN  10          2HG       GLN  10  -1.297 -13.453  -1.142
   68   1HE2  GLN  10          2HE2      GLN  10   1.685 -13.641   0.517
   69   2HE2  GLN  10          1HE2      GLN  10   0.360 -14.406  -0.091
   70    HA   PRO  11           HA       PRO  11  -4.972 -12.077  -4.965
   71   1HB   PRO  11          1HB       PRO  11  -6.864 -12.993  -3.150
   72   2HB   PRO  11          2HB       PRO  11  -5.873 -14.044  -4.177
   73   1HG   PRO  11          1HG       PRO  11  -5.680 -13.540  -1.283
   74   2HG   PRO  11          2HG       PRO  11  -5.009 -14.873  -2.239
   75   1HD   PRO  11          2HD       PRO  11  -3.609 -12.606  -1.201
   76   2HD   PRO  11          1HD       PRO  11  -2.966 -13.877  -2.255
   77    HA   PRO  12           HA       PRO  12  -6.923  -8.392  -3.831
   78   1HB   PRO  12          1HB       PRO  12  -9.519  -8.745  -4.750
   79   2HB   PRO  12          2HB       PRO  12  -8.136  -8.352  -5.786
   80   1HG   PRO  12          1HG       PRO  12  -9.594 -10.895  -5.504
   81   2HG   PRO  12          2HG       PRO  12  -8.521 -10.355  -6.806
   82   1HD   PRO  12          2HD       PRO  12  -7.915 -12.205  -4.711
   83   2HD   PRO  12          1HD       PRO  12  -6.808 -11.575  -5.943
   84    H    THR  13           H        THR  13  -7.093  -7.990  -1.786
   85    HA   THR  13           HA       THR  13  -9.493  -8.798  -0.344
   86    HB   THR  13           HB       THR  13  -7.934  -9.283   1.645
   87    HG1  THR  13           HG1      THR  13  -5.704 -10.020   0.770
   88   1HG2  THR  13          3HG2      THR  13  -9.090 -11.110   0.457
   89   2HG2  THR  13          1HG2      THR  13  -7.778 -11.166  -0.733
   90   3HG2  THR  13          2HG2      THR  13  -7.462 -11.598   0.956
   91    H    THR  14           H        THR  14 -10.256  -7.382   1.038
   92    HA   THR  14           HA       THR  14  -8.737  -4.984   1.697
   93    HB   THR  14           HB       THR  14 -11.549  -4.589   0.711
   94    HG1  THR  14           HG1      THR  14 -10.698  -4.589  -1.538
   95   1HG2  THR  14          1HG2      THR  14  -8.886  -3.181   0.079
   96   2HG2  THR  14          2HG2      THR  14 -10.501  -2.569  -0.315
   97   3HG2  THR  14          3HG2      THR  14  -9.974  -2.653   1.374
   98    H    LYS  15           H        LYS  15  -9.953  -3.609   3.223
   99    HA   LYS  15           HA       LYS  15 -11.992  -4.669   4.852
  100   1HB   LYS  15          1HB       LYS  15  -9.525  -5.853   5.335
  101   2HB   LYS  15          2HB       LYS  15  -9.611  -4.570   6.555
  102   1HG   LYS  15          1HG       LYS  15 -10.959  -5.875   7.779
  103   2HG   LYS  15          2HG       LYS  15 -12.168  -5.791   6.486
  104   1HD   LYS  15          1HD       LYS  15 -11.433  -7.800   5.504
  105   2HD   LYS  15          2HD       LYS  15  -9.876  -7.750   6.350
  106   1HE   LYS  15          1HE       LYS  15 -10.743  -8.622   8.287
  107   2HE   LYS  15          2HE       LYS  15 -12.332  -7.873   8.039
  108   1HZ   LYS  15          3HZ       LYS  15 -12.727  -9.600   6.370
  109   2HZ   LYS  15          1HZ       LYS  15 -11.391 -10.229   6.579
  110   3HZ   LYS  15          2HZ       LYS  15 -12.414 -10.275   7.663
  111    H    THR  16           H        THR  16 -12.507  -3.337   6.617
  112    HA   THR  16           HA       THR  16 -12.188  -0.574   5.961
  113    HB   THR  16           HB       THR  16 -13.756  -2.040   8.086
  114    HG1  THR  16           HG1      THR  16 -15.499  -1.295   6.606
  115   1HG2  THR  16          3HG2      THR  16 -13.212   0.394   8.767
  116   2HG2  THR  16          1HG2      THR  16 -13.867   0.909   7.204
  117   3HG2  THR  16          2HG2      THR  16 -14.927   0.145   8.400
  118    H    CYS  17           H        CYS  17 -10.814   0.810   6.832
  119    HA   CYS  17           HA       CYS  17  -8.948  -0.088   8.866
  120   1HB   CYS  17          1HB       CYS  17  -8.963   2.125   6.856
  121   2HB   CYS  17          2HB       CYS  17  -7.993   2.311   8.328
  122    H    SER  18           H        SER  18  -8.350   1.599  10.503
  123    HA   SER  18           HA       SER  18 -10.631   2.166  12.085
  124   1HB   SER  18          1HB       SER  18  -7.838   3.261  12.501
  125   2HB   SER  18          2HB       SER  18  -9.112   3.046  13.715
  126    HG   SER  18           HG       SER  18  -7.433   1.383  13.887
  127    H    GLY  19           H        GLY  19  -9.571   4.705  13.086
  128   1HA   GLY  19          1HA       GLY  19 -11.206   6.458  11.614
  129   2HA   GLY  19          2HA       GLY  19 -10.085   6.926  12.904
  130    H    GLU  20           H        GLU  20  -9.782   5.563   9.644
  131    HA   GLU  20           HA       GLU  20  -7.943   7.730   8.938
  132   1HB   GLU  20          1HB       GLU  20  -7.208   5.042   9.267
  133   2HB   GLU  20          2HB       GLU  20  -7.363   5.263   7.516
  134   1HG   GLU  20          1HG       GLU  20  -5.711   6.996   9.383
  135   2HG   GLU  20          2HG       GLU  20  -5.073   5.761   8.284
  136    H    THR  21           H        THR  21  -8.096   8.551   6.961
  137    HA   THR  21           HA       THR  21 -10.195   7.509   5.198
  138    HB   THR  21           HB       THR  21 -10.805   9.890   4.730
  139    HG1  THR  21           HG1      THR  21  -9.916  11.471   6.309
  140   1HG2  THR  21          1HG2      THR  21 -10.775   9.208   7.733
  141   2HG2  THR  21          2HG2      THR  21 -11.895  10.326   6.936
  142   3HG2  THR  21          3HG2      THR  21 -12.001   8.588   6.614
  143    H    ASN  22           H        ASN  22  -7.312   7.122   5.151
  144    HA   ASN  22           HA       ASN  22  -6.810   7.962   2.421
  145   1HB   ASN  22          1HB       ASN  22  -4.841   8.499   4.672
  146   2HB   ASN  22          2HB       ASN  22  -4.544   8.761   2.945
  147   1HD2  ASN  22          2HD2      ASN  22  -7.131  11.160   5.031
  148   2HD2  ASN  22          1HD2      ASN  22  -6.858   9.601   5.480
  149    H    CYS  23           H        CYS  23  -5.191   6.691   1.432
  150    HA   CYS  23           HA       CYS  23  -4.057   4.450   2.873
  151   1HB   CYS  23          1HB       CYS  23  -5.671   3.986   0.365
  152   2HB   CYS  23          2HB       CYS  23  -4.906   2.772   1.405
  153    OH   TYR  24           OH       TYR  24   2.708   2.115   5.191
  154    H    TYR  24           H        TYR  24  -2.194   3.751   2.021
  155    HA   TYR  24           HA       TYR  24  -1.240   4.971  -0.462
  156   1HB   TYR  24          1HB       TYR  24   0.750   5.687   0.653
  157   2HB   TYR  24          2HB       TYR  24  -0.528   6.043   1.829
  158    HD1  TYR  24           HD2      TYR  24  -0.780   4.670   3.846
  159    HD2  TYR  24           HD1      TYR  24   2.394   3.977   1.077
  160    HE1  TYR  24           HE2      TYR  24   0.434   3.266   5.577
  161    HE2  TYR  24           HE1      TYR  24   3.597   2.574   2.815
  162    HH   TYR  24           HH       TYR  24   2.120   2.081   6.101
  163    H    LYS  25           H        LYS  25   0.589   3.865  -1.379
  164    HA   LYS  25           HA       LYS  25   0.889   1.067  -0.565
  165   1HB   LYS  25          1HB       LYS  25   1.247   0.894  -3.243
  166   2HB   LYS  25          2HB       LYS  25  -0.313   0.615  -2.451
  167   1HG   LYS  25          1HG       LYS  25  -1.071   2.818  -2.956
  168   2HG   LYS  25          2HG       LYS  25   0.554   3.346  -3.428
  169   1HD   LYS  25          1HD       LYS  25   0.488   2.154  -5.450
  170   2HD   LYS  25          2HD       LYS  25  -0.825   1.101  -4.895
  171   1HE   LYS  25          1HE       LYS  25  -2.164   2.472  -6.101
  172   2HE   LYS  25          2HE       LYS  25  -1.991   3.585  -4.732
  173   1HZ   LYS  25          1HZ       LYS  25  -0.296   3.655  -7.118
  174   2HZ   LYS  25          2HZ       LYS  25  -1.367   4.652  -6.827
  175   3HZ   LYS  25          3HZ       LYS  25  -0.151   4.592  -5.967
  176    H    LYS  26           H        LYS  26   2.832   0.089  -1.053
  177    HA   LYS  26           HA       LYS  26   5.068   1.820  -1.754
  178   1HB   LYS  26          1HB       LYS  26   6.288   0.816   0.275
  179   2HB   LYS  26          2HB       LYS  26   5.260   2.250   0.431
  180   1HG   LYS  26          1HG       LYS  26   3.434   0.925   1.297
  181   2HG   LYS  26          2HG       LYS  26   4.311  -0.581   0.968
  182   1HD   LYS  26          1HD       LYS  26   5.375   1.551   2.836
  183   2HD   LYS  26          2HD       LYS  26   4.330   0.232   3.389
  184   1HE   LYS  26          1HE       LYS  26   6.053  -1.324   2.217
  185   2HE   LYS  26          2HE       LYS  26   7.124   0.087   2.260
  186   1HZ   LYS  26          1HZ       LYS  26   5.910  -1.114   4.638
  187   2HZ   LYS  26          2HZ       LYS  26   7.349  -1.259   4.273
  188   3HZ   LYS  26          3HZ       LYS  26   6.813   0.074   4.674
  189    CH2  TRP  27           CH2      TRP  27   4.758   3.474  -5.946
  190    H    TRP  27           H        TRP  27   6.765   0.702  -2.633
  191    HA   TRP  27           HA       TRP  27   6.855  -2.179  -2.651
  192   1HB   TRP  27          1HB       TRP  27   6.823  -2.374  -5.079
  193   2HB   TRP  27          2HB       TRP  27   5.297  -1.687  -4.491
  194    HD1  TRP  27           HD1      TRP  27   8.043  -0.990  -6.942
  195    HE1  TRP  27           HE1      TRP  27   7.703   1.305  -8.020
  196    HE3  TRP  27           HE3      TRP  27   4.440   0.763  -3.827
  197    HZ2  TRP  27           HZ2      TRP  27   6.118   3.618  -7.640
  198    HZ3  TRP  27           HZ3      TRP  27   3.551   3.051  -4.249
  199    HH2  TRP  27           HH2      TRP  27   4.330   4.462  -6.080
  200    CH2  TRP  28           CH2      TRP  28   8.818  -4.675   1.605
  201    H    TRP  28           H        TRP  28   8.821  -2.950  -3.604
  202    HA   TRP  28           HA       TRP  28  10.965  -1.125  -4.168
  203   1HB   TRP  28          1HB       TRP  28  12.328  -1.460  -2.347
  204   2HB   TRP  28          2HB       TRP  28  10.735  -1.037  -1.698
  205    HD1  TRP  28           HD1      TRP  28  13.127  -4.054  -1.964
  206    HE1  TRP  28           HE1      TRP  28  12.427  -5.802  -0.234
  207    HE3  TRP  28           HE3      TRP  28   8.838  -1.851  -0.384
  208    HZ2  TRP  28           HZ2      TRP  28  10.324  -6.245   1.608
  209    HZ3  TRP  28           HZ3      TRP  28   7.521  -3.008   1.385
  210    HH2  TRP  28           HH2      TRP  28   8.202  -5.131   2.372
  211    H    SER  29           H        SER  29  12.383  -2.154  -5.436
  212    HA   SER  29           HA       SER  29  11.952  -4.938  -6.089
  213   1HB   SER  29          1HB       SER  29  13.561  -4.533  -7.918
  214   2HB   SER  29          2HB       SER  29  12.224  -3.371  -7.944
  215    HG   SER  29           HG       SER  29  14.308  -2.333  -8.371
  216    H    ASP  30           H        ASP  30  13.515  -6.507  -6.000
  217    HA   ASP  30           HA       ASP  30  15.653  -6.024  -4.056
  218   1HB   ASP  30          1HB       ASP  30  15.051  -8.817  -4.625
  219   2HB   ASP  30          2HB       ASP  30  15.179  -7.974  -3.071
  220    H    HIS  31           H        HIS  31  17.016  -8.403  -4.556
  221    HA   HIS  31           HA       HIS  31  18.855  -7.772  -6.492
  222   1HB   HIS  31          1HB       HIS  31  18.256 -10.149  -4.926
  223   2HB   HIS  31          2HB       HIS  31  19.116 -10.429  -6.449
  224    HD2  HIS  31           HD2      HIS  31  21.749 -10.577  -5.808
  225    HE1  HIS  31           HE1      HIS  31  21.894  -7.383  -3.015
  226    NH1  ARG  32           NH2      ARG  32  20.420 -14.144 -12.144
  227    NH2  ARG  32           NH1      ARG  32  22.077 -12.716 -11.379
  228    H    ARG  32           H        ARG  32  16.407 -10.326  -6.772
  229    HA   ARG  32           HA       ARG  32  15.996  -9.638  -9.576
  230   1HB   ARG  32          1HB       ARG  32  16.993 -12.233  -8.484
  231   2HB   ARG  32          2HB       ARG  32  15.800 -12.300  -9.792
  232   1HG   ARG  32          1HG       ARG  32  17.212 -10.997 -11.245
  233   2HG   ARG  32          2HG       ARG  32  18.343 -10.652  -9.924
  234   1HD   ARG  32          1HD       ARG  32  18.262 -13.414  -9.932
  235   2HD   ARG  32          2HD       ARG  32  18.139 -13.022 -11.655
  236    HE   ARG  32           HE       ARG  32  20.214 -11.609 -10.223
  237   1HH1  ARG  32          1HH2      ARG  32  19.504 -14.397 -12.166
  238   2HH1  ARG  32          2HH2      ARG  32  21.063 -14.646 -12.631
  239   1HH2  ARG  32          1HH1      ARG  32  22.343 -11.962 -10.865
  240   2HH2  ARG  32          2HH1      ARG  32  22.726 -13.213 -11.864
  241    H    GLY  33           H        GLY  33  14.270  -8.820  -7.793
  242   1HA   GLY  33          1HA       GLY  33  11.857 -10.147  -8.485
  243   2HA   GLY  33          2HA       GLY  33  12.271 -10.369  -6.776
  244    H    THR  34           H        THR  34  10.115  -9.185  -6.748
  245    HA   THR  34           HA       THR  34  10.602  -6.400  -6.127
  246    HB   THR  34           HB       THR  34   8.719  -7.362  -8.320
  247    HG1  THR  34           HG1      THR  34   9.943  -5.641  -9.470
  248   1HG2  THR  34          1HG2      THR  34   8.962  -4.557  -7.074
  249   2HG2  THR  34          2HG2      THR  34   7.913  -5.000  -8.431
  250   3HG2  THR  34          3HG2      THR  34   7.566  -5.614  -6.806
  251    H    ILE  35           H        ILE  35   9.789  -5.960  -4.294
  252    HA   ILE  35           HA       ILE  35   7.646  -7.629  -3.208
  253    HB   ILE  35           HB       ILE  35   9.670  -5.844  -1.818
  254   1HG1  ILE  35          1HG1      ILE  35  10.578  -7.989  -2.675
  255   2HG1  ILE  35          2HG1      ILE  35  10.554  -7.927  -0.904
  256   1HG2  ILE  35          1HG2      ILE  35   7.454  -7.446  -0.597
  257   2HG2  ILE  35          2HG2      ILE  35   8.762  -6.632   0.277
  258   3HG2  ILE  35          3HG2      ILE  35   7.597  -5.681  -0.660
  259   1HD1  ILE  35          1HD1      ILE  35   8.486  -9.304  -2.656
  260   2HD1  ILE  35          2HD1      ILE  35   9.757 -10.113  -1.725
  261   3HD1  ILE  35          3HD1      ILE  35   8.463  -9.242  -0.885
  262    H    ILE  36           H        ILE  36   5.796  -6.856  -2.519
  263    HA   ILE  36           HA       ILE  36   5.256  -4.002  -2.877
  264    HB   ILE  36           HB       ILE  36   3.237  -6.107  -3.649
  265   1HG1  ILE  36          1HG1      ILE  36   5.432  -6.357  -4.957
  266   2HG1  ILE  36          2HG1      ILE  36   3.956  -6.107  -5.905
  267   1HG2  ILE  36          1HG2      ILE  36   3.516  -3.214  -4.377
  268   2HG2  ILE  36          2HG2      ILE  36   2.265  -4.325  -4.959
  269   3HG2  ILE  36          3HG2      ILE  36   2.365  -3.930  -3.235
  270   1HD1  ILE  36          1HD1      ILE  36   5.964  -3.952  -5.150
  271   2HD1  ILE  36          2HD1      ILE  36   5.799  -4.698  -6.747
  272   3HD1  ILE  36          3HD1      ILE  36   4.488  -3.702  -6.098
  273    H    GLU  37           H        GLU  37   3.709  -3.116  -1.600
  274    HA   GLU  37           HA       GLU  37   2.377  -4.607   0.440
  275   1HB   GLU  37          1HB       GLU  37   4.565  -4.546   1.487
  276   2HB   GLU  37          2HB       GLU  37   4.709  -2.809   1.171
  277   1HG   GLU  37          1HG       GLU  37   4.075  -3.250   3.514
  278   2HG   GLU  37          2HG       GLU  37   2.803  -2.366   2.655
  279    NH1  ARG  38           NH2      ARG  38   1.360  -1.709  -3.658
  280    NH2  ARG  38           NH1      ARG  38   0.373  -2.668  -5.523
  281    H    ARG  38           H        ARG  38   0.704  -3.572   1.260
  282    HA   ARG  38           HA       ARG  38   0.340  -0.740   0.614
  283   1HB   ARG  38          1HB       ARG  38  -1.662  -2.985   0.226
  284   2HB   ARG  38          2HB       ARG  38  -2.088  -1.264   0.198
  285   1HG   ARG  38          1HG       ARG  38  -1.756  -1.637  -2.056
  286   2HG   ARG  38          2HG       ARG  38  -0.120  -1.153  -1.578
  287   1HD   ARG  38          1HD       ARG  38   0.667  -3.385  -1.592
  288   2HD   ARG  38          2HD       ARG  38  -0.974  -4.053  -1.569
  289    HE   ARG  38           HE       ARG  38  -0.972  -3.874  -3.859
  290   1HH1  ARG  38          1HH2      ARG  38   1.419  -1.632  -2.713
  291   2HH1  ARG  38          2HH2      ARG  38   1.932  -1.193  -4.213
  292   1HH2  ARG  38          1HH1      ARG  38  -0.261  -3.263  -5.905
  293   2HH2  ARG  38          2HH1      ARG  38   0.941  -2.154  -6.084
  294    H    GLY  39           H        GLY  39  -1.199   0.332   1.949
  295   1HA   GLY  39          1HA       GLY  39  -2.328  -0.830   4.268
  296   2HA   GLY  39          2HA       GLY  39  -0.840   0.055   4.650
  297    H    CYS  40           H        CYS  40  -2.822   1.082   5.880
  298    HA   CYS  40           HA       CYS  40  -4.129   3.163   4.306
  299   1HB   CYS  40          1HB       CYS  40  -4.625   2.111   7.049
  300   2HB   CYS  40          2HB       CYS  40  -5.298   3.648   6.480
  301    H    GLY  41           H        GLY  41  -4.214   5.304   5.555
  302   1HA   GLY  41          1HA       GLY  41  -3.224   7.073   6.678
  303   2HA   GLY  41          2HA       GLY  41  -1.907   5.980   7.136
  304    H    CYS  42           H        CYS  42  -0.461   7.672   6.551
  305    HA   CYS  42           HA       CYS  42   0.464   7.510   3.838
  306   1HB   CYS  42          1HB       CYS  42  -1.223   9.188   3.555
  307   2HB   CYS  42          2HB       CYS  42  -0.501  10.156   4.851
  308    HA   PRO  43           HA       PRO  43   3.651   8.026   7.030
  309   1HB   PRO  43          1HB       PRO  43   5.297   6.009   6.059
  310   2HB   PRO  43          2HB       PRO  43   4.069   5.805   7.319
  311   1HG   PRO  43          1HG       PRO  43   4.022   4.926   4.509
  312   2HG   PRO  43          2HG       PRO  43   3.034   4.377   5.874
  313   1HD   PRO  43          2HD       PRO  43   2.256   6.142   3.762
  314   2HD   PRO  43          1HD       PRO  43   1.309   5.685   5.188
  315    H    LYS  44           H        LYS  44   6.131   8.190   6.613
  316    HA   LYS  44           HA       LYS  44   6.495  10.118   4.500
  317   1HB   LYS  44          1HB       LYS  44   8.575  10.649   5.506
  318   2HB   LYS  44          2HB       LYS  44   7.279  10.630   6.714
  319   1HG   LYS  44          1HG       LYS  44   7.978   8.405   7.462
  320   2HG   LYS  44          2HG       LYS  44   9.236   8.363   6.215
  321   1HD   LYS  44          1HD       LYS  44  10.600   9.214   7.797
  322   2HD   LYS  44          2HD       LYS  44   9.752  10.745   7.520
  323   1HE   LYS  44          1HE       LYS  44   8.875  10.692   9.585
  324   2HE   LYS  44          2HE       LYS  44   8.218   9.070   9.311
  325   1HZ   LYS  44          3HZ       LYS  44  10.401   8.227   9.982
  326   2HZ   LYS  44          1HZ       LYS  44  10.953   9.592  10.212
  327   3HZ   LYS  44          2HZ       LYS  44   9.872   9.067  11.095
  328    H    VAL  45           H        VAL  45   7.235   9.578   2.581
  329    HA   VAL  45           HA       VAL  45   8.247   6.941   2.011
  330    HB   VAL  45           HB       VAL  45   6.694   7.920   0.421
  331   1HG1  VAL  45          1HG1      VAL  45   8.600  10.234   0.199
  332   2HG1  VAL  45          2HG1      VAL  45   7.157   9.970  -0.794
  333   3HG1  VAL  45          3HG1      VAL  45   6.994  10.243   0.948
  334   1HG2  VAL  45          1HG2      VAL  45   8.496   6.528  -0.539
  335   2HG2  VAL  45          2HG2      VAL  45   8.026   7.822  -1.655
  336   3HG2  VAL  45          3HG2      VAL  45   9.517   7.966  -0.708
  337    H    LYS  46           H        LYS  46  10.200   6.439   2.427
  338    HA   LYS  46           HA       LYS  46  12.305   8.426   2.519
  339   1HB   LYS  46          1HB       LYS  46  11.963   5.618   3.477
  340   2HB   LYS  46          2HB       LYS  46  13.605   6.148   3.076
  341   1HG   LYS  46          1HG       LYS  46  12.882   8.265   4.529
  342   2HG   LYS  46          2HG       LYS  46  11.771   7.086   5.247
  343   1HD   LYS  46          1HD       LYS  46  14.087   5.649   5.221
  344   2HD   LYS  46          2HD       LYS  46  14.719   7.289   5.449
  345   1HE   LYS  46          1HE       LYS  46  12.395   6.810   7.135
  346   2HE   LYS  46          2HE       LYS  46  13.660   5.606   7.428
  347   1HZ   LYS  46          3HZ       LYS  46  15.166   7.482   7.793
  348   2HZ   LYS  46          1HZ       LYS  46  14.101   8.496   7.547
  349   3HZ   LYS  46          2HZ       LYS  46  14.028   7.615   8.748
  350    HA   PRO  47           HA       PRO  47  13.986   7.679  -1.350
  351   1HB   PRO  47          1HB       PRO  47  16.702   7.948  -0.842
  352   2HB   PRO  47          2HB       PRO  47  15.578   9.308  -1.013
  353   1HG   PRO  47          1HG       PRO  47  16.859   8.235   1.414
  354   2HG   PRO  47          2HG       PRO  47  16.095   9.813   1.150
  355   1HD   PRO  47          2HD       PRO  47  15.010   7.569   2.552
  356   2HD   PRO  47          1HD       PRO  47  14.202   9.105   2.189
  357    H    GLY  48           H        GLY  48  14.437   6.032  -2.580
  358   1HA   GLY  48          1HA       GLY  48  15.725   4.113  -3.211
  359   2HA   GLY  48          2HA       GLY  48  15.889   3.741  -1.486
  360    H    VAL  49           H        VAL  49  13.094   4.315  -0.943
  361    HA   VAL  49           HA       VAL  49  11.877   1.896  -2.074
  362    HB   VAL  49           HB       VAL  49  11.346   3.310   0.562
  363   1HG1  VAL  49          3HG1      VAL  49   9.290   2.435  -0.317
  364   2HG1  VAL  49          1HG1      VAL  49  10.040   0.849  -0.567
  365   3HG1  VAL  49          2HG1      VAL  49   9.833   1.482   1.074
  366   1HG2  VAL  49          1HG2      VAL  49  13.455   2.025   0.547
  367   2HG2  VAL  49          2HG2      VAL  49  12.241   1.246   1.574
  368   3HG2  VAL  49          3HG2      VAL  49  12.582   0.599  -0.040
  369    H    ASN  50           H        ASN  50   9.946   1.949  -2.983
  370    HA   ASN  50           HA       ASN  50   8.996   4.535  -3.872
  371   1HB   ASN  50          1HB       ASN  50   7.927   1.798  -4.620
  372   2HB   ASN  50          2HB       ASN  50   7.652   3.331  -5.465
  373   1HD2  ASN  50          2HD2      ASN  50  10.860   1.023  -6.155
  374   2HD2  ASN  50          1HD2      ASN  50   9.651   0.627  -5.112
  375    H    LEU  51           H        LEU  51   7.107   5.397  -3.219
  376    HA   LEU  51           HA       LEU  51   5.003   3.920  -1.970
  377   1HB   LEU  51          1HB       LEU  51   6.790   4.354  -0.174
  378   2HB   LEU  51          2HB       LEU  51   6.318   6.058  -0.306
  379    HG   LEU  51           HG       LEU  51   4.214   4.004   0.244
  380   1HD1  LEU  51          1HD1      LEU  51   6.071   5.202   2.332
  381   2HD1  LEU  51          2HD1      LEU  51   4.614   4.250   2.666
  382   3HD1  LEU  51          3HD1      LEU  51   6.004   3.493   1.869
  383   1HD2  LEU  51          3HD2      LEU  51   4.519   6.886   1.003
  384   2HD2  LEU  51          1HD2      LEU  51   3.495   6.215  -0.277
  385   3HD2  LEU  51          2HD2      LEU  51   3.157   5.833   1.419
  386    H    ASN  52           H        ASN  52   3.117   4.848  -2.143
  387    HA   ASN  52           HA       ASN  52   2.982   7.607  -3.097
  388   1HB   ASN  52          1HB       ASN  52   2.769   5.704  -4.918
  389   2HB   ASN  52          2HB       ASN  52   1.131   5.550  -4.257
  390   1HD2  ASN  52          2HD2      ASN  52   1.815   8.186  -7.019
  391   2HD2  ASN  52          1HD2      ASN  52   2.616   6.777  -6.732
  392    H    CYS  53           H        CYS  53   1.294   8.708  -2.253
  393    HA   CYS  53           HA       CYS  53  -0.479   7.332  -0.370
  394   1HB   CYS  53          1HB       CYS  53   0.481  10.153  -0.475
  395   2HB   CYS  53          2HB       CYS  53  -0.919   9.647   0.487
  396    H    CYS  54           H        CYS  54  -2.667   7.587  -0.572
  397    HA   CYS  54           HA       CYS  54  -3.826   9.300  -2.581
  398   1HB   CYS  54          1HB       CYS  54  -5.202   7.210  -3.353
  399   2HB   CYS  54          2HB       CYS  54  -3.623   7.567  -4.077
  400    NH1  ARG  55           NH2      ARG  55  -8.050  14.601   2.521
  401    NH2  ARG  55           NH1      ARG  55  -8.603  12.952   4.054
  402    H    ARG  55           H        ARG  55  -6.191   9.235  -2.443
  403    HA   ARG  55           HA       ARG  55  -7.102   8.624   0.280
  404   1HB   ARG  55          1HB       ARG  55  -7.947  10.979  -1.421
  405   2HB   ARG  55          2HB       ARG  55  -8.523  10.591   0.211
  406   1HG   ARG  55          1HG       ARG  55  -6.025  10.688   0.890
  407   2HG   ARG  55          2HG       ARG  55  -5.785  11.522  -0.655
  408   1HD   ARG  55          1HD       ARG  55  -6.114  13.273   0.891
  409   2HD   ARG  55          2HD       ARG  55  -7.699  13.083   0.119
  410    HE   ARG  55           HE       ARG  55  -7.617  11.444   2.385
  411   1HH1  ARG  55          1HH2      ARG  55  -7.672  14.846   1.685
  412   2HH1  ARG  55          2HH2      ARG  55  -8.407  15.268   3.095
  413   1HH2  ARG  55          1HH1      ARG  55  -8.621  12.037   4.311
  414   2HH2  ARG  55          2HH1      ARG  55  -8.962  13.615   4.633
  415    H    THR  56           H        THR  56  -7.290   7.200  -2.364
  416    HA   THR  56           HA       THR  56 -10.197   7.097  -2.696
  417    HB   THR  56           HB       THR  56  -9.331   5.766  -4.841
  418    HG1  THR  56           HG1      THR  56  -7.248   6.780  -5.488
  419   1HG2  THR  56          1HG2      THR  56  -8.943   8.806  -4.539
  420   2HG2  THR  56          2HG2      THR  56  -9.230   7.945  -6.060
  421   3HG2  THR  56          3HG2      THR  56 -10.519   8.060  -4.851
  422    H    ASP  57           H        ASP  57 -11.245   5.147  -2.576
  423    HA   ASP  57           HA       ASP  57 -10.326   3.240  -0.735
  424   1HB   ASP  57          1HB       ASP  57 -12.733   3.729  -2.250
  425   2HB   ASP  57          2HB       ASP  57 -12.296   2.015  -2.344
  426    NH1  ARG  58           NH2      ARG  58 -12.039  -5.336  -3.723
  427    NH2  ARG  58           NH1      ARG  58 -13.946  -4.020  -3.791
  428    H    ARG  58           H        ARG  58  -9.401   1.288  -1.040
  429    HA   ARG  58           HA       ARG  58  -8.015  -0.268  -1.991
  430   1HB   ARG  58          1HB       ARG  58 -10.403  -0.076  -3.791
  431   2HB   ARG  58          2HB       ARG  58  -9.008  -1.025  -4.331
  432   1HG   ARG  58          1HG       ARG  58  -9.152  -2.097  -1.946
  433   2HG   ARG  58          2HG       ARG  58 -10.809  -1.471  -1.962
  434   1HD   ARG  58          1HD       ARG  58  -9.978  -2.915  -4.414
  435   2HD   ARG  58          2HD       ARG  58 -10.092  -3.909  -2.952
  436    HE   ARG  58           HE       ARG  58 -12.352  -2.170  -3.531
  437   1HH1  ARG  58          1HH2      ARG  58 -11.094  -5.404  -3.649
  438   2HH1  ARG  58          2HH2      ARG  58 -12.566  -6.121  -3.820
  439   1HH2  ARG  58          1HH1      ARG  58 -14.357  -3.164  -3.767
  440   2HH2  ARG  58          2HH1      ARG  58 -14.480  -4.800  -3.889
  441    H    CYS  59           H        CYS  59  -7.491   2.547  -2.523
  442    HA   CYS  59           HA       CYS  59  -6.641   2.938  -5.195
  443   1HB   CYS  59          1HB       CYS  59  -5.581   4.896  -4.500
  444   2HB   CYS  59          2HB       CYS  59  -7.136   4.776  -3.659
  445    H    ASN  60           H        ASN  60  -5.274   1.552  -2.316
  446    HA   ASN  60           HA       ASN  60  -2.644   1.224  -3.520
  447   1HB   ASN  60          1HB       ASN  60  -2.108   0.153  -1.277
  448   2HB   ASN  60          2HB       ASN  60  -2.530   1.872  -1.217
  449   1HD2  ASN  60          2HD2      ASN  60  -4.436   0.783   1.495
  450   2HD2  ASN  60          1HD2      ASN  60  -2.965   1.355   1.031
  451    H    ASN  61           H        ASN  61  -3.332  -0.261  -5.126
  452    HA   ASN  61           HA       ASN  61  -3.777  -2.989  -4.140
  453   1HB   ASN  61          1HB       ASN  61  -5.235  -3.475  -5.960
  454   2HB   ASN  61          2HB       ASN  61  -5.808  -1.936  -5.296
  455   1HD2  ASN  61          2HD2      ASN  61  -4.888  -2.282  -9.105
  456   2HD2  ASN  61          1HD2      ASN  61  -5.192  -3.513  -8.057
   
  Start of MODEL           4
 Raw file had 456 H/Q atoms
  Start of MODEL    4
    1   1H    LEU   1          1H        LEU   1 -12.811   3.778   5.976
    2   2H    LEU   1          2H        LEU   1 -13.668   4.791   5.294
    3   3H    LEU   1          3H        LEU   1 -14.062   3.353   5.283
    4    HA   LEU   1           HA       LEU   1 -13.207   3.908   3.097
    5   1HB   LEU   1          1HB       LEU   1 -11.790   5.670   4.339
    6   2HB   LEU   1          2HB       LEU   1 -10.566   4.390   4.291
    7    HG   LEU   1           HG       LEU   1 -11.906   4.926   1.722
    8   1HD1  LEU   1          1HD1      LEU   1 -10.195   7.064   2.940
    9   2HD1  LEU   1          2HD1      LEU   1 -10.704   6.968   1.246
   10   3HD1  LEU   1          3HD1      LEU   1 -11.914   7.168   2.524
   11   1HD2  LEU   1          3HD2      LEU   1  -8.998   4.730   2.586
   12   2HD2  LEU   1          1HD2      LEU   1  -9.979   3.398   1.951
   13   3HD2  LEU   1          2HD2      LEU   1  -9.579   4.777   0.913
   14    H    GLU   2           H        GLU   2 -12.454   2.198   1.966
   15    HA   GLU   2           HA       GLU   2 -11.595  -0.157   3.464
   16   1HB   GLU   2          1HB       GLU   2 -13.576   0.105   1.598
   17   2HB   GLU   2          2HB       GLU   2 -12.239  -0.592   0.668
   18   1HG   GLU   2          1HG       GLU   2 -12.173  -2.524   1.949
   19   2HG   GLU   2          2HG       GLU   2 -12.869  -1.730   3.372
   20    H    CYS   3           H        CYS   3  -9.517  -0.578   3.439
   21    HA   CYS   3           HA       CYS   3  -7.843   0.285   1.186
   22   1HB   CYS   3          1HB       CYS   3  -7.039  -0.198   4.028
   23   2HB   CYS   3          2HB       CYS   3  -5.949   0.195   2.686
   24    H    HIS   4           H        HIS   4  -6.214  -1.212   0.532
   25    HA   HIS   4           HA       HIS   4  -7.103  -3.896   0.330
   26   1HB   HIS   4          1HB       HIS   4  -4.927  -2.261  -0.774
   27   2HB   HIS   4          2HB       HIS   4  -4.477  -3.949  -0.479
   28    HD2  HIS   4           HD2      HIS   4  -6.136  -1.879  -3.179
   29    HE1  HIS   4           HE1      HIS   4  -7.351  -5.885  -3.896
   30    H    ASN   5           H        ASN   5  -5.738  -5.738   0.866
   31    HA   ASN   5           HA       ASN   5  -4.470  -5.423   3.494
   32   1HB   ASN   5          1HB       ASN   5  -6.797  -7.000   2.767
   33   2HB   ASN   5          2HB       ASN   5  -5.485  -8.044   3.340
   34   1HD2  ASN   5          2HD2      ASN   5  -7.293  -7.287   6.312
   35   2HD2  ASN   5          1HD2      ASN   5  -7.390  -8.211   4.953
   36    H    GLN   6           H        GLN   6  -4.803  -7.359   0.573
   37    HA   GLN   6           HA       GLN   6  -2.829  -9.239   0.913
   38   1HB   GLN   6          1HB       GLN   6  -2.530  -8.921  -1.680
   39   2HB   GLN   6          2HB       GLN   6  -4.047  -9.576  -1.037
   40   1HG   GLN   6          1HG       GLN   6  -5.243  -7.735  -1.630
   41   2HG   GLN   6          2HG       GLN   6  -3.923  -6.623  -1.231
   42   1HE2  GLN   6          2HE2      GLN   6  -4.746  -6.995  -4.925
   43   2HE2  GLN   6          1HE2      GLN   6  -5.722  -6.954  -3.601
   44    H    GLN   7           H        GLN   7  -0.690  -9.370   0.341
   45    HA   GLN   7           HA       GLN   7   0.754  -6.822   0.155
   46   1HB   GLN   7          1HB       GLN   7   0.856  -7.649   2.446
   47   2HB   GLN   7          2HB       GLN   7   1.585  -9.154   1.862
   48   1HG   GLN   7          1HG       GLN   7   2.841  -6.564   1.044
   49   2HG   GLN   7          2HG       GLN   7   3.082  -7.123   2.708
   50   1HE2  GLN   7          2HE2      GLN   7   5.862  -8.371   0.753
   51   2HE2  GLN   7          1HE2      GLN   7   5.250  -6.920   1.231
   52    H    SER   8           H        SER   8   2.751  -6.935  -0.914
   53    HA   SER   8           HA       SER   8   4.170  -7.512  -2.607
   54   1HB   SER   8          1HB       SER   8   3.620 -10.079  -1.183
   55   2HB   SER   8          2HB       SER   8   4.383 -10.169  -2.780
   56    HG   SER   8           HG       SER   8   5.981 -10.141  -1.033
   57    H    SER   9           H        SER   9   2.536 -10.486  -3.103
   58    HA   SER   9           HA       SER   9   1.022  -9.391  -5.349
   59   1HB   SER   9          1HB       SER   9   3.149 -11.493  -5.417
   60   2HB   SER   9          2HB       SER   9   1.730 -11.705  -6.456
   61    HG   SER   9           HG       SER   9   3.505 -10.623  -7.591
   62    H    GLN  10           H        GLN  10   0.031 -10.016  -2.863
   63    HA   GLN  10           HA       GLN  10  -1.097 -12.625  -2.757
   64   1HB   GLN  10          1HB       GLN  10  -1.010 -10.330  -1.039
   65   2HB   GLN  10          2HB       GLN  10  -2.655 -10.983  -1.146
   66   1HG   GLN  10          1HG       GLN  10  -2.105 -12.828   0.024
   67   2HG   GLN  10          2HG       GLN  10  -0.629 -13.082  -0.924
   68   1HE2  GLN  10          2HE2      GLN  10  -0.546 -11.601   2.771
   69   2HE2  GLN  10          1HE2      GLN  10  -1.881 -12.221   2.036
   70    HA   PRO  11           HA       PRO  11  -4.834 -12.003  -4.934
   71   1HB   PRO  11          1HB       PRO  11  -6.811 -12.906  -3.205
   72   2HB   PRO  11          2HB       PRO  11  -5.750 -13.965  -4.151
   73   1HG   PRO  11          1HG       PRO  11  -5.724 -13.390  -1.262
   74   2HG   PRO  11          2HG       PRO  11  -4.981 -14.733  -2.147
   75   1HD   PRO  11          2HD       PRO  11  -3.677 -12.418  -1.090
   76   2HD   PRO  11          1HD       PRO  11  -2.956 -13.703  -2.074
   77    HA   PRO  12           HA       PRO  12  -6.921  -8.335  -4.004
   78   1HB   PRO  12          1HB       PRO  12  -9.475  -8.776  -5.002
   79   2HB   PRO  12          2HB       PRO  12  -8.064  -8.387  -6.002
   80   1HG   PRO  12          1HG       PRO  12  -9.477 -10.951  -5.682
   81   2HG   PRO  12          2HG       PRO  12  -8.370 -10.432  -6.963
   82   1HD   PRO  12          2HD       PRO  12  -7.802 -12.196  -4.787
   83   2HD   PRO  12          1HD       PRO  12  -6.665 -11.582  -6.000
   84    H    THR  13           H        THR  13  -7.112  -7.948  -1.945
   85    HA   THR  13           HA       THR  13  -9.573  -8.714  -0.576
   86    HB   THR  13           HB       THR  13  -7.957  -9.106   1.487
   87    HG1  THR  13           HG1      THR  13  -5.817  -9.879   0.711
   88   1HG2  THR  13          3HG2      THR  13  -9.168 -11.024   0.248
   89   2HG2  THR  13          1HG2      THR  13  -7.801 -11.070  -0.878
   90   3HG2  THR  13          2HG2      THR  13  -7.559 -11.483   0.827
   91    H    THR  14           H        THR  14 -10.412  -7.249   0.688
   92    HA   THR  14           HA       THR  14  -8.913  -4.799   1.267
   93    HB   THR  14           HB       THR  14 -11.796  -4.580   0.431
   94    HG1  THR  14           HG1      THR  14 -11.055  -4.583  -1.857
   95   1HG2  THR  14          3HG2      THR  14 -10.306  -2.539   0.974
   96   2HG2  THR  14          1HG2      THR  14  -9.253  -3.035  -0.360
   97   3HG2  THR  14          2HG2      THR  14 -10.916  -2.526  -0.689
   98    H    LYS  15           H        LYS  15 -10.064  -3.432   2.832
   99    HA   LYS  15           HA       LYS  15 -11.949  -4.547   4.623
  100   1HB   LYS  15          1HB       LYS  15  -9.499  -5.642   5.014
  101   2HB   LYS  15          2HB       LYS  15  -9.354  -4.193   6.026
  102   1HG   LYS  15          1HG       LYS  15 -10.584  -5.168   7.624
  103   2HG   LYS  15          2HG       LYS  15 -11.928  -5.367   6.486
  104   1HD   LYS  15          1HD       LYS  15 -11.382  -7.548   6.007
  105   2HD   LYS  15          2HD       LYS  15  -9.651  -7.289   6.283
  106   1HE   LYS  15          1HE       LYS  15 -10.113  -8.503   8.172
  107   2HE   LYS  15          2HE       LYS  15 -10.527  -6.896   8.791
  108   1HZ   LYS  15          1HZ       LYS  15 -12.488  -8.784   7.716
  109   2HZ   LYS  15          2HZ       LYS  15 -12.333  -8.482   9.168
  110   3HZ   LYS  15          3HZ       LYS  15 -12.836  -7.431   8.237
  111    H    THR  16           H        THR  16 -12.427  -3.171   6.382
  112    HA   THR  16           HA       THR  16 -12.048  -0.371   5.643
  113    HB   THR  16           HB       THR  16 -14.097  -1.919   7.263
  114    HG1  THR  16           HG1      THR  16 -15.485  -0.788   5.659
  115   1HG2  THR  16          1HG2      THR  16 -13.879   1.133   6.929
  116   2HG2  THR  16          2HG2      THR  16 -15.188   0.274   7.757
  117   3HG2  THR  16          3HG2      THR  16 -13.564   0.306   8.463
  118    H    CYS  17           H        CYS  17 -10.839   0.946   6.671
  119    HA   CYS  17           HA       CYS  17  -9.408   0.048   9.027
  120   1HB   CYS  17          1HB       CYS  17  -8.950   2.072   6.924
  121   2HB   CYS  17          2HB       CYS  17  -8.439   2.539   8.555
  122    H    SER  18           H        SER  18  -9.183   1.505  10.837
  123    HA   SER  18           HA       SER  18 -11.740   2.758  11.493
  124   1HB   SER  18          1HB       SER  18 -11.050   2.546  13.836
  125   2HB   SER  18          2HB       SER  18 -11.155   0.990  12.994
  126    HG   SER  18           HG       SER  18  -9.246   1.115  14.390
  127    H    GLY  19           H        GLY  19 -11.789   4.802  12.380
  128   1HA   GLY  19          1HA       GLY  19 -11.250   7.051  12.226
  129   2HA   GLY  19          2HA       GLY  19  -9.996   6.503  13.350
  130    H    GLU  20           H        GLU  20 -10.495   5.994   9.884
  131    HA   GLU  20           HA       GLU  20  -8.302   7.638   9.098
  132   1HB   GLU  20          1HB       GLU  20  -7.623   5.048   9.892
  133   2HB   GLU  20          2HB       GLU  20  -7.734   4.944   8.126
  134   1HG   GLU  20          1HG       GLU  20  -6.381   7.340   8.571
  135   2HG   GLU  20          2HG       GLU  20  -5.718   6.242   9.794
  136    H    THR  21           H        THR  21  -8.304   8.112   6.994
  137    HA   THR  21           HA       THR  21 -10.181   6.754   5.222
  138    HB   THR  21           HB       THR  21 -11.549   8.467   6.111
  139    HG1  THR  21           HG1      THR  21 -11.815   9.776   4.112
  140   1HG2  THR  21          3HG2      THR  21  -9.655  10.015   6.946
  141   2HG2  THR  21          1HG2      THR  21  -9.333  10.426   5.253
  142   3HG2  THR  21          2HG2      THR  21 -10.879  10.871   5.995
  143    H    ASN  22           H        ASN  22  -7.443   6.508   5.191
  144    HA   ASN  22           HA       ASN  22  -6.789   7.571   2.576
  145   1HB   ASN  22          1HB       ASN  22  -5.010   7.984   5.005
  146   2HB   ASN  22          2HB       ASN  22  -4.535   8.296   3.325
  147   1HD2  ASN  22          2HD2      ASN  22  -7.273  10.669   5.238
  148   2HD2  ASN  22          1HD2      ASN  22  -7.038   9.101   5.682
  149    H    CYS  23           H        CYS  23  -5.178   6.358   1.555
  150    HA   CYS  23           HA       CYS  23  -4.126   3.985   2.888
  151   1HB   CYS  23          1HB       CYS  23  -5.401   3.665   0.222
  152   2HB   CYS  23          2HB       CYS  23  -4.900   2.440   1.400
  153    OH   TYR  24           OH       TYR  24   2.420   1.287   5.331
  154    H    TYR  24           H        TYR  24  -2.178   3.365   2.052
  155    HA   TYR  24           HA       TYR  24  -1.085   4.831  -0.233
  156   1HB   TYR  24          1HB       TYR  24   0.872   5.350   1.054
  157   2HB   TYR  24          2HB       TYR  24  -0.466   5.638   2.179
  158    HD1  TYR  24           HD2      TYR  24  -0.884   4.100   4.039
  159    HD2  TYR  24           HD1      TYR  24   2.426   3.537   1.402
  160    HE1  TYR  24           HE2      TYR  24   0.168   2.488   5.693
  161    HE2  TYR  24           HE1      TYR  24   3.470   1.930   3.066
  162    HH   TYR  24           HH       TYR  24   1.776   1.192   6.200
  163    H    LYS  25           H        LYS  25   0.778   3.799  -1.176
  164    HA   LYS  25           HA       LYS  25   1.003   0.924  -0.665
  165   1HB   LYS  25          1HB       LYS  25   1.409   0.891  -3.282
  166   2HB   LYS  25          2HB       LYS  25  -0.232   0.813  -2.619
  167   1HG   LYS  25          1HG       LYS  25  -0.743   2.968  -3.258
  168   2HG   LYS  25          2HG       LYS  25   0.941   3.511  -3.161
  169   1HD   LYS  25          1HD       LYS  25   0.588   3.478  -5.460
  170   2HD   LYS  25          2HD       LYS  25   1.297   1.878  -5.183
  171   1HE   LYS  25          1HE       LYS  25  -1.693   2.286  -5.125
  172   2HE   LYS  25          2HE       LYS  25  -0.833   2.037  -6.654
  173   1HZ   LYS  25          1HZ       LYS  25  -0.776   0.143  -4.424
  174   2HZ   LYS  25          2HZ       LYS  25  -1.543  -0.078  -5.683
  175   3HZ   LYS  25          3HZ       LYS  25  -0.052  -0.067  -5.711
  176    H    LYS  26           H        LYS  26   2.944   0.003  -0.952
  177    HA   LYS  26           HA       LYS  26   5.233   1.720  -1.526
  178   1HB   LYS  26          1HB       LYS  26   6.362   0.692   0.514
  179   2HB   LYS  26          2HB       LYS  26   5.269   2.075   0.697
  180   1HG   LYS  26          1HG       LYS  26   3.511   0.710   1.524
  181   2HG   LYS  26          2HG       LYS  26   4.310  -0.779   0.988
  182   1HD   LYS  26          1HD       LYS  26   5.506   1.061   3.075
  183   2HD   LYS  26          2HD       LYS  26   4.422  -0.278   3.487
  184   1HE   LYS  26          1HE       LYS  26   5.950  -1.886   2.501
  185   2HE   LYS  26          2HE       LYS  26   6.996  -0.585   1.909
  186   1HZ   LYS  26          1HZ       LYS  26   6.544  -1.152   4.745
  187   2HZ   LYS  26          2HZ       LYS  26   7.806  -1.480   4.021
  188   3HZ   LYS  26          3HZ       LYS  26   7.424  -0.056   4.247
  189    CH2  TRP  27           CH2      TRP  27   4.351   3.217  -5.767
  190    H    TRP  27           H        TRP  27   6.827   0.652  -2.547
  191    HA   TRP  27           HA       TRP  27   6.982  -2.244  -2.579
  192   1HB   TRP  27          1HB       TRP  27   6.893  -2.443  -4.964
  193   2HB   TRP  27          2HB       TRP  27   5.365  -1.854  -4.286
  194    HD1  TRP  27           HD1      TRP  27   7.938  -0.977  -6.878
  195    HE1  TRP  27           HE1      TRP  27   7.368   1.270  -7.955
  196    HE3  TRP  27           HE3      TRP  27   4.344   0.512  -3.619
  197    HZ2  TRP  27           HZ2      TRP  27   5.620   3.453  -7.520
  198    HZ3  TRP  27           HZ3      TRP  27   3.254   2.716  -4.018
  199    HH2  TRP  27           HH2      TRP  27   3.841   4.167  -5.890
  200    CH2  TRP  28           CH2      TRP  28   9.503  -4.665   1.620
  201    H    TRP  28           H        TRP  28   8.983  -2.920  -3.588
  202    HA   TRP  28           HA       TRP  28  11.005  -1.013  -4.310
  203   1HB   TRP  28          1HB       TRP  28  12.468  -1.207  -2.563
  204   2HB   TRP  28          2HB       TRP  28  10.890  -0.913  -1.813
  205    HD1  TRP  28           HD1      TRP  28  13.492  -3.734  -2.241
  206    HE1  TRP  28           HE1      TRP  28  13.053  -5.519  -0.464
  207    HE3  TRP  28           HE3      TRP  28   9.164  -1.860  -0.367
  208    HZ2  TRP  28           HZ2      TRP  28  11.124  -6.116   1.518
  209    HZ3  TRP  28           HZ3      TRP  28   8.067  -3.106   1.490
  210    HH2  TRP  28           HH2      TRP  28   8.979  -5.164   2.429
  211    H    SER  29           H        SER  29  12.264  -2.001  -5.736
  212    HA   SER  29           HA       SER  29  11.960  -4.810  -6.282
  213   1HB   SER  29          1HB       SER  29  13.947  -3.042  -7.683
  214   2HB   SER  29          2HB       SER  29  13.030  -4.421  -8.315
  215    HG   SER  29           HG       SER  29  12.261  -2.365  -9.203
  216    H    ASP  30           H        ASP  30  13.435  -6.360  -6.024
  217    HA   ASP  30           HA       ASP  30  15.746  -5.740  -4.333
  218   1HB   ASP  30          1HB       ASP  30  15.734  -8.135  -3.764
  219   2HB   ASP  30          2HB       ASP  30  14.208  -7.340  -3.341
  220    H    HIS  31           H        HIS  31  17.160  -8.049  -4.767
  221    HA   HIS  31           HA       HIS  31  18.832  -7.519  -6.858
  222   1HB   HIS  31          1HB       HIS  31  18.489  -9.671  -5.014
  223   2HB   HIS  31          2HB       HIS  31  18.979 -10.253  -6.613
  224    HD2  HIS  31           HD2      HIS  31  20.503  -8.531  -3.530
  225    HE1  HIS  31           HE1      HIS  31  23.449  -8.416  -6.585
  226    NH1  ARG  32           NH2      ARG  32  15.764 -13.401 -13.275
  227    NH2  ARG  32           NH1      ARG  32  17.747 -14.560 -13.585
  228    H    ARG  32           H        ARG  32  16.383 -10.088  -6.830
  229    HA   ARG  32           HA       ARG  32  15.787  -9.573  -9.635
  230   1HB   ARG  32          1HB       ARG  32  16.785 -12.163  -8.466
  231   2HB   ARG  32          2HB       ARG  32  15.672 -12.179  -9.845
  232   1HG   ARG  32          1HG       ARG  32  17.960 -10.312 -10.082
  233   2HG   ARG  32          2HG       ARG  32  18.382 -12.033 -10.075
  234   1HD   ARG  32          1HD       ARG  32  16.072 -11.520 -11.772
  235   2HD   ARG  32          2HD       ARG  32  17.462 -10.540 -12.265
  236    HE   ARG  32           HE       ARG  32  18.704 -12.749 -12.232
  237   1HH1  ARG  32          1HH2      ARG  32  15.299 -12.659 -12.904
  238   2HH1  ARG  32          2HH2      ARG  32  15.293 -14.048 -13.786
  239   1HH2  ARG  32          1HH1      ARG  32  18.682 -14.646 -13.440
  240   2HH2  ARG  32          2HH1      ARG  32  17.283 -15.212 -14.098
  241    H    GLY  33           H        GLY  33  14.145  -8.684  -7.844
  242   1HA   GLY  33          1HA       GLY  33  11.735 -10.109  -8.276
  243   2HA   GLY  33          2HA       GLY  33  12.263 -10.220  -6.589
  244    H    THR  34           H        THR  34  10.071  -9.086  -6.515
  245    HA   THR  34           HA       THR  34  10.524  -6.267  -6.051
  246    HB   THR  34           HB       THR  34   8.520  -7.343  -8.086
  247    HG1  THR  34           HG1      THR  34   9.732  -5.765  -9.436
  248   1HG2  THR  34          1HG2      THR  34   8.942  -4.466  -7.075
  249   2HG2  THR  34          2HG2      THR  34   7.795  -4.965  -8.329
  250   3HG2  THR  34          3HG2      THR  34   7.528  -5.443  -6.644
  251    H    ILE  35           H        ILE  35   9.779  -5.763  -4.206
  252    HA   ILE  35           HA       ILE  35   7.776  -7.453  -2.915
  253    HB   ILE  35           HB       ILE  35   9.728  -5.538  -1.705
  254   1HG1  ILE  35          1HG1      ILE  35  10.217  -7.988  -0.653
  255   2HG1  ILE  35          2HG1      ILE  35   9.679  -8.453  -2.276
  256   1HG2  ILE  35          3HG2      ILE  35   7.697  -5.465  -0.465
  257   2HG2  ILE  35          1HG2      ILE  35   7.641  -7.233  -0.382
  258   3HG2  ILE  35          2HG2      ILE  35   8.943  -6.349   0.432
  259   1HD1  ILE  35          3HD1      ILE  35  11.361  -6.941  -3.268
  260   2HD1  ILE  35          1HD1      ILE  35  11.899  -6.475  -1.646
  261   3HD1  ILE  35          2HD1      ILE  35  12.126  -8.138  -2.210
  262    H    ILE  36           H        ILE  36   5.863  -6.633  -2.275
  263    HA   ILE  36           HA       ILE  36   5.300  -3.786  -2.602
  264    HB   ILE  36           HB       ILE  36   3.444  -5.972  -3.583
  265   1HG1  ILE  36          1HG1      ILE  36   4.279  -4.445  -5.771
  266   2HG1  ILE  36          2HG1      ILE  36   5.769  -4.769  -4.867
  267   1HG2  ILE  36          1HG2      ILE  36   3.300  -2.994  -3.875
  268   2HG2  ILE  36          2HG2      ILE  36   2.210  -4.173  -4.624
  269   3HG2  ILE  36          3HG2      ILE  36   2.279  -4.025  -2.860
  270   1HD1  ILE  36          3HD1      ILE  36   5.249  -7.184  -4.879
  271   2HD1  ILE  36          1HD1      ILE  36   3.761  -6.859  -5.781
  272   3HD1  ILE  36          2HD1      ILE  36   5.335  -6.542  -6.527
  273    H    GLU  37           H        GLU  37   3.683  -2.966  -1.349
  274    HA   GLU  37           HA       GLU  37   2.365  -4.563   0.632
  275   1HB   GLU  37          1HB       GLU  37   4.869  -4.009   1.335
  276   2HB   GLU  37          2HB       GLU  37   4.073  -2.537   1.914
  277   1HG   GLU  37          1HG       GLU  37   2.756  -5.148   2.522
  278   2HG   GLU  37          2HG       GLU  37   4.236  -4.752   3.412
  279    NH1  ARG  38           NH2      ARG  38   1.362  -1.399  -3.716
  280    NH2  ARG  38           NH1      ARG  38   0.469  -2.543  -5.524
  281    H    ARG  38           H        ARG  38   0.536  -3.596   1.188
  282    HA   ARG  38           HA       ARG  38   0.218  -0.713   0.761
  283   1HB   ARG  38          1HB       ARG  38  -1.754  -2.922   0.100
  284   2HB   ARG  38          2HB       ARG  38  -2.157  -1.196   0.117
  285   1HG   ARG  38          1HG       ARG  38  -1.677  -1.591  -2.138
  286   2HG   ARG  38          2HG       ARG  38  -0.143  -0.954  -1.517
  287   1HD   ARG  38          1HD       ARG  38   0.899  -3.038  -1.576
  288   2HD   ARG  38          2HD       ARG  38  -0.634  -3.921  -1.494
  289    HE   ARG  38           HE       ARG  38  -0.700  -3.830  -3.789
  290   1HH1  ARG  38          1HH2      ARG  38   1.425  -1.278  -2.777
  291   2HH1  ARG  38          2HH2      ARG  38   1.860  -0.842  -4.302
  292   1HH2  ARG  38          1HH1      ARG  38  -0.094  -3.226  -5.871
  293   2HH2  ARG  38          2HH1      ARG  38   0.964  -1.990  -6.117
  294    H    GLY  39           H        GLY  39  -1.335   0.295   2.085
  295   1HA   GLY  39          1HA       GLY  39  -2.701  -0.991   4.196
  296   2HA   GLY  39          2HA       GLY  39  -1.203  -0.241   4.773
  297    H    CYS  40           H        CYS  40  -3.089   0.861   5.982
  298    HA   CYS  40           HA       CYS  40  -4.324   3.056   4.527
  299   1HB   CYS  40          1HB       CYS  40  -4.648   2.244   7.390
  300   2HB   CYS  40          2HB       CYS  40  -5.512   3.548   6.558
  301    H    GLY  41           H        GLY  41  -4.223   5.184   5.782
  302   1HA   GLY  41          1HA       GLY  41  -3.087   6.897   6.843
  303   2HA   GLY  41          2HA       GLY  41  -1.814   5.734   7.250
  304    H    CYS  42           H        CYS  42  -0.406   7.505   6.596
  305    HA   CYS  42           HA       CYS  42   0.451   7.214   3.870
  306   1HB   CYS  42          1HB       CYS  42  -1.171   9.037   3.656
  307   2HB   CYS  42          2HB       CYS  42  -0.343   9.930   4.945
  308    HA   PRO  43           HA       PRO  43   3.878   7.426   6.689
  309   1HB   PRO  43          1HB       PRO  43   5.457   5.665   5.229
  310   2HB   PRO  43          2HB       PRO  43   4.344   5.200   6.527
  311   1HG   PRO  43          1HG       PRO  43   4.069   4.850   3.616
  312   2HG   PRO  43          2HG       PRO  43   3.207   4.034   4.933
  313   1HD   PRO  43          2HD       PRO  43   2.230   6.134   3.256
  314   2HD   PRO  43          1HD       PRO  43   1.413   5.398   4.646
  315    H    LYS  44           H        LYS  44   6.289   7.782   6.147
  316    HA   LYS  44           HA       LYS  44   6.447  10.035   4.354
  317   1HB   LYS  44          1HB       LYS  44   7.379   9.943   6.707
  318   2HB   LYS  44          2HB       LYS  44   8.727   9.051   5.980
  319   1HG   LYS  44          1HG       LYS  44   9.311  10.860   4.571
  320   2HG   LYS  44          2HG       LYS  44   7.760  11.675   4.834
  321   1HD   LYS  44          1HD       LYS  44   9.442  11.171   7.242
  322   2HD   LYS  44          2HD       LYS  44  10.018  12.402   6.105
  323   1HE   LYS  44          1HE       LYS  44   7.155  12.645   6.639
  324   2HE   LYS  44          2HE       LYS  44   8.126  12.774   8.115
  325   1HZ   LYS  44          3HZ       LYS  44   9.372  14.526   6.976
  326   2HZ   LYS  44          1HZ       LYS  44   8.555  14.417   5.733
  327   3HZ   LYS  44          2HZ       LYS  44   7.934  14.922   6.991
  328    H    VAL  45           H        VAL  45   7.438  10.024   2.437
  329    HA   VAL  45           HA       VAL  45   8.227   7.520   1.250
  330    HB   VAL  45           HB       VAL  45   8.460   8.865  -0.818
  331   1HG1  VAL  45          3HG1      VAL  45   6.227   7.996  -0.213
  332   2HG1  VAL  45          1HG1      VAL  45   5.907   9.467   0.719
  333   3HG1  VAL  45          2HG1      VAL  45   6.101   9.558  -1.039
  334   1HG2  VAL  45          3HG2      VAL  45   7.820  11.233   0.918
  335   2HG2  VAL  45          1HG2      VAL  45   9.358  10.888   0.112
  336   3HG2  VAL  45          2HG2      VAL  45   7.912  11.229  -0.851
  337    H    LYS  46           H        LYS  46  10.089   6.716   1.602
  338    HA   LYS  46           HA       LYS  46  12.390   8.418   2.166
  339   1HB   LYS  46          1HB       LYS  46  11.768   5.587   2.785
  340   2HB   LYS  46          2HB       LYS  46  13.441   6.168   2.750
  341   1HG   LYS  46          1HG       LYS  46  12.555   8.103   4.250
  342   2HG   LYS  46          2HG       LYS  46  11.172   7.034   4.537
  343   1HD   LYS  46          1HD       LYS  46  12.435   5.481   5.694
  344   2HD   LYS  46          2HD       LYS  46  13.932   5.910   4.847
  345   1HE   LYS  46          1HE       LYS  46  14.512   7.251   6.549
  346   2HE   LYS  46          2HE       LYS  46  13.045   8.211   6.296
  347   1HZ   LYS  46          1HZ       LYS  46  13.163   5.828   7.990
  348   2HZ   LYS  46          2HZ       LYS  46  13.085   7.221   8.516
  349   3HZ   LYS  46          3HZ       LYS  46  11.928   6.636   7.777
  350    HA   PRO  47           HA       PRO  47  14.127   7.654  -1.741
  351   1HB   PRO  47          1HB       PRO  47  16.835   7.788  -1.133
  352   2HB   PRO  47          2HB       PRO  47  15.773   9.186  -1.374
  353   1HG   PRO  47          1HG       PRO  47  16.902   8.103   1.123
  354   2HG   PRO  47          2HG       PRO  47  16.214   9.704   0.803
  355   1HD   PRO  47          2HD       PRO  47  14.978   7.529   2.187
  356   2HD   PRO  47          1HD       PRO  47  14.250   9.088   1.764
  357    H    GLY  48           H        GLY  48  14.852   6.013  -3.001
  358   1HA   GLY  48          1HA       GLY  48  15.907   4.008  -3.578
  359   2HA   GLY  48          2HA       GLY  48  16.169   3.701  -1.853
  360    H    VAL  49           H        VAL  49  13.368   4.353  -1.246
  361    HA   VAL  49           HA       VAL  49  12.130   1.841  -2.119
  362    HB   VAL  49           HB       VAL  49  11.742   3.397   0.417
  363   1HG1  VAL  49          1HG1      VAL  49  10.417   0.837  -0.550
  364   2HG1  VAL  49          2HG1      VAL  49  10.247   1.542   1.065
  365   3HG1  VAL  49          3HG1      VAL  49   9.613   2.402  -0.348
  366   1HG2  VAL  49          3HG2      VAL  49  12.988   0.714  -0.115
  367   2HG2  VAL  49          1HG2      VAL  49  13.823   2.200   0.365
  368   3HG2  VAL  49          2HG2      VAL  49  12.683   1.426   1.478
  369    H    ASN  50           H        ASN  50  10.125   1.901  -2.994
  370    HA   ASN  50           HA       ASN  50   9.153   4.440  -3.972
  371   1HB   ASN  50          1HB       ASN  50   8.001   1.678  -4.461
  372   2HB   ASN  50          2HB       ASN  50   7.671   3.158  -5.379
  373   1HD2  ASN  50          2HD2      ASN  50  10.494   0.718  -6.541
  374   2HD2  ASN  50          1HD2      ASN  50   9.204   0.366  -5.582
  375    H    LEU  51           H        LEU  51   7.446   5.447  -3.117
  376    HA   LEU  51           HA       LEU  51   5.460   4.039  -1.527
  377   1HB   LEU  51          1HB       LEU  51   6.964   4.518   0.144
  378   2HB   LEU  51          2HB       LEU  51   7.199   6.180  -0.426
  379    HG   LEU  51           HG       LEU  51   4.837   6.667   0.202
  380   1HD1  LEU  51          1HD1      LEU  51   5.001   3.927   1.510
  381   2HD1  LEU  51          2HD1      LEU  51   3.692   5.100   1.728
  382   3HD1  LEU  51          3HD1      LEU  51   3.960   4.357   0.143
  383   1HD2  LEU  51          3HD2      LEU  51   6.654   5.787   2.414
  384   2HD2  LEU  51          1HD2      LEU  51   6.632   7.361   1.602
  385   3HD2  LEU  51          2HD2      LEU  51   5.244   6.847   2.577
  386    H    ASN  52           H        ASN  52   3.494   4.874  -1.839
  387    HA   ASN  52           HA       ASN  52   3.170   7.544  -2.973
  388   1HB   ASN  52          1HB       ASN  52   3.115   5.665  -4.756
  389   2HB   ASN  52          2HB       ASN  52   1.566   5.214  -4.026
  390   1HD2  ASN  52          2HD2      ASN  52   0.546   7.322  -6.680
  391   2HD2  ASN  52          1HD2      ASN  52   1.056   5.791  -6.360
  392    H    CYS  53           H        CYS  53   1.333   8.541  -2.275
  393    HA   CYS  53           HA       CYS  53  -0.395   7.099  -0.384
  394   1HB   CYS  53          1HB       CYS  53   0.575   9.920  -0.324
  395   2HB   CYS  53          2HB       CYS  53  -0.846   9.369   0.580
  396    H    CYS  54           H        CYS  54  -2.589   7.474  -0.560
  397    HA   CYS  54           HA       CYS  54  -3.691   9.261  -2.521
  398   1HB   CYS  54          1HB       CYS  54  -5.052   7.260  -3.472
  399   2HB   CYS  54          2HB       CYS  54  -3.428   7.594  -4.098
  400    NH1  ARG  55           NH2      ARG  55  -8.763  14.050   2.524
  401    NH2  ARG  55           NH1      ARG  55  -7.865  13.095   4.436
  402    H    ARG  55           H        ARG  55  -6.019   9.309  -2.393
  403    HA   ARG  55           HA       ARG  55  -6.996   8.539   0.266
  404   1HB   ARG  55          1HB       ARG  55  -7.706  10.977  -1.374
  405   2HB   ARG  55          2HB       ARG  55  -8.491  10.502   0.142
  406   1HG   ARG  55          1HG       ARG  55  -6.169  10.549   1.199
  407   2HG   ARG  55          2HG       ARG  55  -5.615  11.345  -0.284
  408   1HD   ARG  55          1HD       ARG  55  -6.272  13.304   0.601
  409   2HD   ARG  55          2HD       ARG  55  -7.945  12.731   0.505
  410    HE   ARG  55           HE       ARG  55  -6.430  11.900   2.841
  411   1HH1  ARG  55          1HH2      ARG  55  -8.775  14.128   1.577
  412   2HH1  ARG  55          2HH2      ARG  55  -9.366  14.562   3.051
  413   1HH2  ARG  55          1HH1      ARG  55  -7.247  12.503   4.848
  414   2HH2  ARG  55          2HH1      ARG  55  -8.464  13.603   4.970
  415    H    THR  56           H        THR  56  -7.132   7.264  -2.485
  416    HA   THR  56           HA       THR  56 -10.038   7.132  -2.855
  417    HB   THR  56           HB       THR  56  -9.043   5.781  -4.982
  418    HG1  THR  56           HG1      THR  56  -6.937   6.803  -5.533
  419   1HG2  THR  56          1HG2      THR  56  -8.703   8.830  -4.721
  420   2HG2  THR  56          2HG2      THR  56  -8.896   7.935  -6.238
  421   3HG2  THR  56          3HG2      THR  56 -10.252   8.061  -5.106
  422    H    ASP  57           H        ASP  57 -11.143   5.284  -2.793
  423    HA   ASP  57           HA       ASP  57 -10.389   3.382  -0.891
  424   1HB   ASP  57          1HB       ASP  57 -12.744   4.040  -2.069
  425   2HB   ASP  57          2HB       ASP  57 -12.365   2.532  -2.920
  426    NH1  ARG  58           NH2      ARG  58 -12.070  -4.409  -4.751
  427    NH2  ARG  58           NH1      ARG  58 -11.121  -5.986  -3.342
  428    H    ARG  58           H        ARG  58  -9.419   1.440  -1.123
  429    HA   ARG  58           HA       ARG  58  -8.035  -0.169  -1.996
  430   1HB   ARG  58          1HB       ARG  58 -10.394  -0.771  -2.833
  431   2HB   ARG  58          2HB       ARG  58  -9.841  -0.147  -4.397
  432   1HG   ARG  58          1HG       ARG  58  -7.883  -1.715  -4.252
  433   2HG   ARG  58          2HG       ARG  58  -8.608  -2.408  -2.791
  434   1HD   ARG  58          1HD       ARG  58 -10.644  -2.349  -4.775
  435   2HD   ARG  58          2HD       ARG  58  -9.189  -3.003  -5.547
  436    HE   ARG  58           HE       ARG  58  -9.197  -4.461  -3.372
  437   1HH1  ARG  58          1HH2      ARG  58 -12.002  -3.587  -5.222
  438   2HH1  ARG  58          2HH2      ARG  58 -12.865  -4.925  -4.809
  439   1HH2  ARG  58          1HH1      ARG  58 -10.390  -6.285  -2.815
  440   2HH2  ARG  58          2HH1      ARG  58 -11.913  -6.508  -3.395
  441    H    CYS  59           H        CYS  59  -7.457   2.620  -2.632
  442    HA   CYS  59           HA       CYS  59  -6.611   2.892  -5.327
  443   1HB   CYS  59          1HB       CYS  59  -5.573   4.888  -4.727
  444   2HB   CYS  59          2HB       CYS  59  -7.124   4.798  -3.873
  445    H    ASN  60           H        ASN  60  -5.319   1.536  -2.427
  446    HA   ASN  60           HA       ASN  60  -2.635   1.250  -3.516
  447   1HB   ASN  60          1HB       ASN  60  -2.153   0.172  -1.295
  448   2HB   ASN  60          2HB       ASN  60  -2.703   1.851  -1.174
  449   1HD2  ASN  60          2HD2      ASN  60  -4.548   0.295   1.412
  450   2HD2  ASN  60          1HD2      ASN  60  -3.058   0.896   1.056
  451    H    ASN  61           H        ASN  61  -3.243  -0.194  -5.194
  452    HA   ASN  61           HA       ASN  61  -3.524  -2.962  -4.313
  453   1HB   ASN  61          1HB       ASN  61  -5.750  -2.441  -5.028
  454   2HB   ASN  61          2HB       ASN  61  -5.157  -1.593  -6.468
  455   1HD2  ASN  61          2HD2      ASN  61  -6.185  -4.582  -7.968
  456   2HD2  ASN  61          1HD2      ASN  61  -6.680  -3.087  -7.498
   
  Start of MODEL           5
 Raw file had 456 H/Q atoms
  Start of MODEL    5
    1   1H    LEU   1          2H        LEU   1 -14.947   2.918   4.390
    2   2H    LEU   1          3H        LEU   1 -14.133   3.623   5.422
    3   3H    LEU   1          1H        LEU   1 -14.871   4.407   4.388
    4    HA   LEU   1           HA       LEU   1 -13.502   3.586   2.585
    5   1HB   LEU   1          1HB       LEU   1 -12.860   5.589   4.229
    6   2HB   LEU   1          2HB       LEU   1 -11.535   4.484   4.634
    7    HG   LEU   1           HG       LEU   1 -11.992   5.002   1.751
    8   1HD1  LEU   1          3HD1      LEU   1 -12.419   7.194   2.576
    9   2HD1  LEU   1          1HD1      LEU   1 -10.928   7.162   3.534
   10   3HD1  LEU   1          2HD1      LEU   1 -10.846   7.129   1.764
   11   1HD2  LEU   1          1HD2      LEU   1 -10.145   3.572   2.555
   12   2HD2  LEU   1          2HD2      LEU   1  -9.525   5.024   1.753
   13   3HD2  LEU   1          3HD2      LEU   1  -9.521   4.920   3.520
   14    H    GLU   2           H        GLU   2 -12.860   1.779   1.902
   15    HA   GLU   2           HA       GLU   2 -11.636  -0.143   3.742
   16   1HB   GLU   2          1HB       GLU   2 -12.462  -1.894   2.501
   17   2HB   GLU   2          2HB       GLU   2 -13.788  -0.720   2.517
   18   1HG   GLU   2          1HG       GLU   2 -12.942   0.117   0.285
   19   2HG   GLU   2          2HG       GLU   2 -11.829  -1.261   0.268
   20    H    CYS   3           H        CYS   3  -9.551  -0.478   3.525
   21    HA   CYS   3           HA       CYS   3  -8.192   0.271   1.042
   22   1HB   CYS   3          1HB       CYS   3  -7.036  -0.063   3.819
   23   2HB   CYS   3          2HB       CYS   3  -6.136   0.404   2.367
   24    H    HIS   4           H        HIS   4  -6.315  -1.099   0.521
   25    HA   HIS   4           HA       HIS   4  -7.140  -3.809   0.283
   26   1HB   HIS   4          1HB       HIS   4  -4.982  -2.113  -0.774
   27   2HB   HIS   4          2HB       HIS   4  -4.505  -3.795  -0.483
   28    HD2  HIS   4           HD2      HIS   4  -5.599  -1.935  -3.407
   29    HE1  HIS   4           HE1      HIS   4  -7.691  -5.608  -3.810
   30    H    ASN   5           H        ASN   5  -5.672  -5.598   0.823
   31    HA   ASN   5           HA       ASN   5  -4.443  -5.241   3.462
   32   1HB   ASN   5          1HB       ASN   5  -6.494  -7.269   2.579
   33   2HB   ASN   5          2HB       ASN   5  -5.325  -7.671   3.849
   34   1HD2  ASN   5          2HD2      ASN   5  -7.439  -6.423   6.199
   35   2HD2  ASN   5          1HD2      ASN   5  -6.540  -7.669   5.610
   36    H    GLN   6           H        GLN   6  -4.795  -7.258   0.595
   37    HA   GLN   6           HA       GLN   6  -2.793  -9.105   0.961
   38   1HB   GLN   6          1HB       GLN   6  -2.538  -8.869  -1.642
   39   2HB   GLN   6          2HB       GLN   6  -4.043  -9.509  -0.960
   40   1HG   GLN   6          1HG       GLN   6  -5.255  -7.697  -1.604
   41   2HG   GLN   6          2HG       GLN   6  -3.942  -6.564  -1.242
   42   1HE2  GLN   6          2HE2      GLN   6  -3.779  -6.049  -4.637
   43   2HE2  GLN   6          1HE2      GLN   6  -4.238  -5.475  -3.165
   44    H    GLN   7           H        GLN   7  -0.662  -9.229   0.386
   45    HA   GLN   7           HA       GLN   7   0.749  -6.673   0.105
   46   1HB   GLN   7          1HB       GLN   7   0.853  -7.544   2.422
   47   2HB   GLN   7          2HB       GLN   7   1.727  -8.953   1.797
   48   1HG   GLN   7          1HG       GLN   7   2.873  -6.483   0.785
   49   2HG   GLN   7          2HG       GLN   7   2.823  -6.480   2.557
   50   1HE2  GLN   7          2HE2      GLN   7   5.190  -8.912   3.055
   51   2HE2  GLN   7          1HE2      GLN   7   3.994  -7.975   3.688
   52    H    SER   8           H        SER   8   2.672  -6.756  -1.054
   53    HA   SER   8           HA       SER   8   4.136  -7.393  -2.696
   54   1HB   SER   8          1HB       SER   8   3.556  -9.925  -1.278
   55   2HB   SER   8          2HB       SER   8   4.293 -10.032  -2.886
   56    HG   SER   8           HG       SER   8   5.921 -10.002  -1.165
   57    H    SER   9           H        SER   9   2.425 -10.334  -3.172
   58    HA   SER   9           HA       SER   9   0.884  -9.245  -5.398
   59   1HB   SER   9          1HB       SER   9   3.241 -10.577  -5.843
   60   2HB   SER   9          2HB       SER   9   2.064 -11.900  -5.898
   61    HG   SER   9           HG       SER   9   2.460 -10.976  -8.042
   62    H    GLN  10           H        GLN  10   0.009  -9.936  -2.843
   63    HA   GLN  10           HA       GLN  10  -1.129 -12.530  -2.748
   64   1HB   GLN  10          1HB       GLN  10  -1.004 -10.252  -1.012
   65   2HB   GLN  10          2HB       GLN  10  -2.649 -10.908  -1.084
   66   1HG   GLN  10          1HG       GLN  10  -2.062 -12.744   0.078
   67   2HG   GLN  10          2HG       GLN  10  -0.639 -13.020  -0.941
   68   1HE2  GLN  10          2HE2      GLN  10  -0.317 -11.635   2.759
   69   2HE2  GLN  10          1HE2      GLN  10  -1.678 -12.278   2.095
   70    HA   PRO  11           HA       PRO  11  -4.901 -11.943  -4.814
   71   1HB   PRO  11          1HB       PRO  11  -6.851 -12.836  -3.047
   72   2HB   PRO  11          2HB       PRO  11  -5.810 -13.880  -4.029
   73   1HG   PRO  11          1HG       PRO  11  -5.709 -13.331  -1.137
   74   2HG   PRO  11          2HG       PRO  11  -4.985 -14.664  -2.053
   75   1HD   PRO  11          2HD       PRO  11  -3.662 -12.352  -1.011
   76   2HD   PRO  11          1HD       PRO  11  -2.964 -13.624  -2.026
   77    HA   PRO  12           HA       PRO  12  -7.009  -8.260  -3.798
   78   1HB   PRO  12          1HB       PRO  12  -9.592  -8.711  -4.713
   79   2HB   PRO  12          2HB       PRO  12  -8.218  -8.307  -5.756
   80   1HG   PRO  12          1HG       PRO  12  -9.605 -10.882  -5.407
   81   2HG   PRO  12          2HG       PRO  12  -8.542 -10.347  -6.720
   82   1HD   PRO  12          2HD       PRO  12  -7.894 -12.122  -4.574
   83   2HD   PRO  12          1HD       PRO  12  -6.800 -11.496  -5.821
   84    H    THR  13           H        THR  13  -7.149  -7.867  -1.739
   85    HA   THR  13           HA       THR  13  -9.533  -8.722  -0.293
   86    HB   THR  13           HB       THR  13  -7.862  -9.062   1.711
   87    HG1  THR  13           HG1      THR  13  -5.778  -9.881   0.836
   88   1HG2  THR  13          1HG2      THR  13  -7.859 -11.028  -0.659
   89   2HG2  THR  13          2HG2      THR  13  -7.546 -11.446   1.034
   90   3HG2  THR  13          3HG2      THR  13  -9.170 -10.951   0.529
   91    H    THR  14           H        THR  14 -10.312  -7.216   1.081
   92    HA   THR  14           HA       THR  14  -8.785  -4.775   1.609
   93    HB   THR  14           HB       THR  14 -11.699  -4.517   0.909
   94    HG1  THR  14           HG1      THR  14 -11.073  -4.519  -1.414
   95   1HG2  THR  14          3HG2      THR  14 -10.151  -2.500   1.383
   96   2HG2  THR  14          1HG2      THR  14  -9.175  -3.007  -0.005
   97   3HG2  THR  14          2HG2      THR  14 -10.845  -2.470  -0.245
   98    H    LYS  15           H        LYS  15 -10.028  -3.387   3.182
   99    HA   LYS  15           HA       LYS  15 -11.727  -4.655   5.079
  100   1HB   LYS  15          1HB       LYS  15 -10.385  -5.179   6.803
  101   2HB   LYS  15          2HB       LYS  15  -9.425  -5.705   5.410
  102   1HG   LYS  15          1HG       LYS  15  -7.748  -4.438   6.197
  103   2HG   LYS  15          2HG       LYS  15  -8.726  -3.016   5.795
  104   1HD   LYS  15          1HD       LYS  15  -9.682  -2.970   8.015
  105   2HD   LYS  15          2HD       LYS  15  -8.914  -4.514   8.426
  106   1HE   LYS  15          1HE       LYS  15  -7.476  -2.968   9.423
  107   2HE   LYS  15          2HE       LYS  15  -6.687  -3.256   7.863
  108   1HZ   LYS  15          3HZ       LYS  15  -7.750  -1.203   7.105
  109   2HZ   LYS  15          1HZ       LYS  15  -8.414  -0.960   8.419
  110   3HZ   LYS  15          2HZ       LYS  15  -6.929  -0.877   8.307
  111    H    THR  16           H        THR  16 -12.555  -3.166   6.498
  112    HA   THR  16           HA       THR  16 -12.411  -0.426   5.783
  113    HB   THR  16           HB       THR  16 -13.872  -1.923   7.959
  114    HG1  THR  16           HG1      THR  16 -15.656  -1.400   6.432
  115   1HG2  THR  16          3HG2      THR  16 -13.549   0.579   8.530
  116   2HG2  THR  16          1HG2      THR  16 -14.226   0.961   6.938
  117   3HG2  THR  16          2HG2      THR  16 -15.232   0.165   8.159
  118    H    CYS  17           H        CYS  17 -11.184   1.116   6.610
  119    HA   CYS  17           HA       CYS  17  -9.298   0.474   8.730
  120   1HB   CYS  17          1HB       CYS  17  -9.414   2.669   6.669
  121   2HB   CYS  17          2HB       CYS  17  -8.338   2.761   8.074
  122    H    SER  18           H        SER  18  -8.969   1.970  10.442
  123    HA   SER  18           HA       SER  18 -11.382   2.718  11.721
  124   1HB   SER  18          1HB       SER  18 -10.077   3.396  13.562
  125   2HB   SER  18          2HB       SER  18  -9.345   1.922  12.906
  126    HG   SER  18           HG       SER  18  -7.714   3.533  13.497
  127    H    GLY  19           H        GLY  19 -10.222   5.129  12.920
  128   1HA   GLY  19          1HA       GLY  19 -11.511   7.137  11.623
  129   2HA   GLY  19          2HA       GLY  19 -10.099   7.405  12.659
  130    H    GLU  20           H        GLU  20  -8.600   5.605  10.720
  131    HA   GLU  20           HA       GLU  20  -7.584   7.699   9.048
  132   1HB   GLU  20          1HB       GLU  20  -6.421   5.496  10.171
  133   2HB   GLU  20          2HB       GLU  20  -6.698   4.929   8.514
  134   1HG   GLU  20          1HG       GLU  20  -5.277   7.506   9.265
  135   2HG   GLU  20          2HG       GLU  20  -4.472   5.999   8.794
  136    H    THR  21           H        THR  21  -8.372   8.260   7.223
  137    HA   THR  21           HA       THR  21  -9.866   6.320   5.607
  138    HB   THR  21           HB       THR  21 -11.122   8.308   4.756
  139    HG1  THR  21           HG1      THR  21 -10.785  10.318   6.032
  140   1HG2  THR  21          1HG2      THR  21 -11.002   8.173   7.830
  141   2HG2  THR  21          2HG2      THR  21 -12.369   8.768   6.873
  142   3HG2  THR  21          3HG2      THR  21 -11.955   7.045   6.853
  143    H    ASN  22           H        ASN  22  -7.165   6.327   5.357
  144    HA   ASN  22           HA       ASN  22  -6.792   7.331   2.654
  145   1HB   ASN  22          1HB       ASN  22  -4.768   7.743   4.878
  146   2HB   ASN  22          2HB       ASN  22  -4.532   8.143   3.169
  147   1HD2  ASN  22          2HD2      ASN  22  -7.166  10.286   5.469
  148   2HD2  ASN  22          1HD2      ASN  22  -6.863   8.698   5.771
  149    H    CYS  23           H        CYS  23  -5.209   6.145   1.513
  150    HA   CYS  23           HA       CYS  23  -4.072   3.763   2.771
  151   1HB   CYS  23          1HB       CYS  23  -5.261   3.366   0.110
  152   2HB   CYS  23          2HB       CYS  23  -4.992   2.233   1.445
  153    OH   TYR  24           OH       TYR  24   2.213   1.512   5.462
  154    H    TYR  24           H        TYR  24  -2.146   3.176   1.863
  155    HA   TYR  24           HA       TYR  24  -1.141   4.652  -0.449
  156   1HB   TYR  24          1HB       TYR  24   0.876   5.195   0.790
  157   2HB   TYR  24          2HB       TYR  24  -0.481   5.618   1.848
  158    HD1  TYR  24           HD1      TYR  24   1.848   2.777   1.131
  159    HD2  TYR  24           HD2      TYR  24  -0.460   4.878   4.044
  160    HE1  TYR  24           HE1      TYR  24   2.812   1.310   2.963
  161    HE2  TYR  24           HE2      TYR  24   0.508   3.401   5.866
  162    HH   TYR  24           HH       TYR  24   1.797   1.804   6.420
  163    H    LYS  25           H        LYS  25   0.689   3.654  -1.445
  164    HA   LYS  25           HA       LYS  25   1.024   0.799  -0.862
  165   1HB   LYS  25          1HB       LYS  25   1.445   0.739  -3.474
  166   2HB   LYS  25          2HB       LYS  25  -0.200   0.641  -2.822
  167   1HG   LYS  25          1HG       LYS  25  -0.730   2.803  -3.463
  168   2HG   LYS  25          2HG       LYS  25   0.957   3.342  -3.423
  169   1HD   LYS  25          1HD       LYS  25   0.924   3.136  -5.667
  170   2HD   LYS  25          2HD       LYS  25   0.962   1.387  -5.392
  171   1HE   LYS  25          1HE       LYS  25  -0.947   1.411  -6.627
  172   2HE   LYS  25          2HE       LYS  25  -1.699   1.877  -5.092
  173   1HZ   LYS  25          3HZ       LYS  25  -1.461   4.181  -5.837
  174   2HZ   LYS  25          1HZ       LYS  25  -0.830   3.788  -7.129
  175   3HZ   LYS  25          2HZ       LYS  25  -2.256   3.446  -6.863
  176    H    LYS  26           H        LYS  26   3.002  -0.112  -1.458
  177    HA   LYS  26           HA       LYS  26   5.238   1.684  -1.904
  178   1HB   LYS  26          1HB       LYS  26   6.403   0.584   0.100
  179   2HB   LYS  26          2HB       LYS  26   5.335   1.982   0.311
  180   1HG   LYS  26          1HG       LYS  26   3.625   0.703   1.248
  181   2HG   LYS  26          2HG       LYS  26   4.208  -0.799   0.508
  182   1HD   LYS  26          1HD       LYS  26   5.660   0.706   2.707
  183   2HD   LYS  26          2HD       LYS  26   4.594  -0.683   2.980
  184   1HE   LYS  26          1HE       LYS  26   6.351  -1.532   0.973
  185   2HE   LYS  26          2HE       LYS  26   7.371  -0.624   2.103
  186   1HZ   LYS  26          3HZ       LYS  26   6.486  -2.073   3.846
  187   2HZ   LYS  26          1HZ       LYS  26   5.627  -2.838   2.896
  188   3HZ   LYS  26          2HZ       LYS  26   7.113  -2.938   2.806
  189    CH2  TRP  27           CH2      TRP  27   4.376   3.333  -6.058
  190    H    TRP  27           H        TRP  27   6.868   0.676  -2.943
  191    HA   TRP  27           HA       TRP  27   7.121  -2.192  -3.036
  192   1HB   TRP  27          1HB       TRP  27   6.993  -2.322  -5.475
  193   2HB   TRP  27          2HB       TRP  27   5.454  -1.783  -4.784
  194    HD1  TRP  27           HD1      TRP  27   8.019  -0.769  -7.328
  195    HE1  TRP  27           HE1      TRP  27   7.424   1.515  -8.314
  196    HE3  TRP  27           HE3      TRP  27   4.400   0.544  -4.019
  197    HZ2  TRP  27           HZ2      TRP  27   5.643   3.654  -7.798
  198    HZ3  TRP  27           HZ3      TRP  27   3.283   2.748  -4.334
  199    HH2  TRP  27           HH2      TRP  27   3.855   4.280  -6.144
  200    CH2  TRP  28           CH2      TRP  28   9.451  -4.500   1.175
  201    H    TRP  28           H        TRP  28   9.084  -2.834  -4.055
  202    HA   TRP  28           HA       TRP  28  11.085  -0.892  -4.735
  203   1HB   TRP  28          1HB       TRP  28  12.540  -1.097  -2.968
  204   2HB   TRP  28          2HB       TRP  28  10.951  -0.781  -2.250
  205    HD1  TRP  28           HD1      TRP  28  13.543  -3.621  -2.592
  206    HE1  TRP  28           HE1      TRP  28  13.050  -5.390  -0.813
  207    HE3  TRP  28           HE3      TRP  28   9.177  -1.711  -0.844
  208    HZ2  TRP  28           HZ2      TRP  28  11.067  -5.958   1.125
  209    HZ3  TRP  28           HZ3      TRP  28   8.026  -2.937   0.994
  210    HH2  TRP  28           HH2      TRP  28   8.906  -4.989   1.975
  211    H    SER  29           H        SER  29  12.456  -1.855  -6.087
  212    HA   SER  29           HA       SER  29  12.164  -4.651  -6.706
  213   1HB   SER  29          1HB       SER  29  14.224  -2.856  -7.964
  214   2HB   SER  29          2HB       SER  29  13.356  -4.230  -8.668
  215    HG   SER  29           HG       SER  29  12.621  -2.164  -9.565
  216    H    ASP  30           H        ASP  30  13.572  -6.221  -6.332
  217    HA   ASP  30           HA       ASP  30  15.862  -5.623  -4.602
  218   1HB   ASP  30          1HB       ASP  30  15.593  -8.301  -4.412
  219   2HB   ASP  30          2HB       ASP  30  14.793  -7.155  -3.324
  220    H    HIS  31           H        HIS  31  17.254  -7.917  -4.871
  221    HA   HIS  31           HA       HIS  31  18.942  -7.594  -6.973
  222   1HB   HIS  31          1HB       HIS  31  18.450  -9.701  -5.064
  223   2HB   HIS  31          2HB       HIS  31  19.097 -10.273  -6.612
  224    HD2  HIS  31           HD2      HIS  31  20.637  -6.917  -6.211
  225    HE1  HIS  31           HE1      HIS  31  23.261  -9.522  -4.124
  226    NH1  ARG  32           NH2      ARG  32  17.273 -13.954 -13.976
  227    NH2  ARG  32           NH1      ARG  32  16.758 -11.843 -14.784
  228    H    ARG  32           H        ARG  32  16.506 -10.168  -6.843
  229    HA   ARG  32           HA       ARG  32  15.923  -9.775  -9.675
  230   1HB   ARG  32          1HB       ARG  32  17.485 -11.612  -9.690
  231   2HB   ARG  32          2HB       ARG  32  16.640 -12.407  -8.350
  232   1HG   ARG  32          1HG       ARG  32  15.067 -13.297  -9.713
  233   2HG   ARG  32          2HG       ARG  32  14.921 -11.811 -10.668
  234   1HD   ARG  32          1HD       ARG  32  17.471 -13.278 -11.014
  235   2HD   ARG  32          2HD       ARG  32  16.029 -14.129 -11.597
  236    HE   ARG  32           HE       ARG  32  16.111 -11.405 -12.456
  237   1HH1  ARG  32          1HH2      ARG  32  17.314 -14.563 -13.248
  238   2HH1  ARG  32          2HH2      ARG  32  17.550 -14.229 -14.842
  239   1HH2  ARG  32          1HH1      ARG  32  16.437 -10.961 -14.637
  240   2HH2  ARG  32          2HH1      ARG  32  17.033 -12.111 -15.652
  241    H    GLY  33           H        GLY  33  14.233  -8.727  -8.109
  242   1HA   GLY  33          1HA       GLY  33  11.802 -10.027  -8.502
  243   2HA   GLY  33          2HA       GLY  33  12.297 -10.259  -6.817
  244    H    THR  34           H        THR  34  10.113  -8.994  -6.856
  245    HA   THR  34           HA       THR  34  10.724  -6.239  -6.178
  246    HB   THR  34           HB       THR  34   8.797  -7.121  -8.364
  247    HG1  THR  34           HG1      THR  34  10.044  -5.400  -9.489
  248   1HG2  THR  34          3HG2      THR  34   7.681  -5.381  -6.812
  249   2HG2  THR  34          1HG2      THR  34   9.093  -4.343  -7.069
  250   3HG2  THR  34          2HG2      THR  34   8.028  -4.744  -8.428
  251    H    ILE  35           H        ILE  35   9.959  -5.791  -4.328
  252    HA   ILE  35           HA       ILE  35   7.875  -7.455  -3.147
  253    HB   ILE  35           HB       ILE  35   9.766  -5.563  -1.809
  254   1HG1  ILE  35          1HG1      ILE  35  10.913  -7.523  -2.710
  255   2HG1  ILE  35          2HG1      ILE  35  10.764  -7.665  -0.950
  256   1HG2  ILE  35          3HG2      ILE  35   7.701  -5.633  -0.628
  257   2HG2  ILE  35          1HG2      ILE  35   7.712  -7.404  -0.644
  258   3HG2  ILE  35          2HG2      ILE  35   8.956  -6.520   0.255
  259   1HD1  ILE  35          1HD1      ILE  35   8.953  -9.002  -2.996
  260   2HD1  ILE  35          2HD1      ILE  35  10.227  -9.803  -2.061
  261   3HD1  ILE  35          3HD1      ILE  35   8.804  -9.144  -1.236
  262    H    ILE  36           H        ILE  36   5.950  -6.629  -2.557
  263    HA   ILE  36           HA       ILE  36   5.429  -3.767  -2.839
  264    HB   ILE  36           HB       ILE  36   3.543  -5.894  -3.888
  265   1HG1  ILE  36          1HG1      ILE  36   4.472  -4.713  -6.122
  266   2HG1  ILE  36          2HG1      ILE  36   5.941  -4.846  -5.139
  267   1HG2  ILE  36          3HG2      ILE  36   2.527  -3.719  -3.305
  268   2HG2  ILE  36          1HG2      ILE  36   3.708  -2.891  -4.333
  269   3HG2  ILE  36          2HG2      ILE  36   2.514  -3.980  -5.057
  270   1HD1  ILE  36          3HD1      ILE  36   5.482  -7.247  -4.781
  271   2HD1  ILE  36          1HD1      ILE  36   4.015  -7.114  -5.764
  272   3HD1  ILE  36          2HD1      ILE  36   5.603  -6.872  -6.509
  273    H    GLU  37           H        GLU  37   3.796  -2.951  -1.609
  274    HA   GLU  37           HA       GLU  37   2.452  -4.593   0.334
  275   1HB   GLU  37          1HB       GLU  37   4.428  -4.495   1.544
  276   2HB   GLU  37          2HB       GLU  37   4.703  -2.791   1.141
  277   1HG   GLU  37          1HG       GLU  37   3.917  -2.953   3.435
  278   2HG   GLU  37          2HG       GLU  37   2.660  -2.197   2.441
  279    NH1  ARG  38           NH2      ARG  38   1.594  -1.561  -3.570
  280    NH2  ARG  38           NH1      ARG  38   0.660  -2.332  -5.546
  281    H    ARG  38           H        ARG  38   0.776  -3.509   1.337
  282    HA   ARG  38           HA       ARG  38   0.298  -0.707   0.699
  283   1HB   ARG  38          1HB       ARG  38  -1.612  -2.982   0.080
  284   2HB   ARG  38          2HB       ARG  38  -2.084  -1.274   0.112
  285   1HG   ARG  38          1HG       ARG  38  -1.597  -1.447  -2.120
  286   2HG   ARG  38          2HG       ARG  38   0.033  -1.079  -1.527
  287   1HD   ARG  38          1HD       ARG  38   0.716  -3.338  -1.670
  288   2HD   ARG  38          2HD       ARG  38  -0.952  -3.927  -1.775
  289    HE   ARG  38           HE       ARG  38  -0.825  -3.582  -4.042
  290   1HH1  ARG  38          1HH2      ARG  38   1.608  -1.555  -2.619
  291   2HH1  ARG  38          2HH2      ARG  38   2.218  -1.036  -4.057
  292   1HH2  ARG  38          1HH1      ARG  38   0.018  -2.865  -6.000
  293   2HH2  ARG  38          2HH1      ARG  38   1.281  -1.810  -6.041
  294    H    GLY  39           H        GLY  39  -1.209   0.292   2.054
  295   1HA   GLY  39          1HA       GLY  39  -2.522  -1.011   4.200
  296   2HA   GLY  39          2HA       GLY  39  -1.036  -0.209   4.738
  297    H    CYS  40           H        CYS  40  -2.852   0.898   5.986
  298    HA   CYS  40           HA       CYS  40  -4.142   3.058   4.504
  299   1HB   CYS  40          1HB       CYS  40  -4.805   1.595   6.911
  300   2HB   CYS  40          2HB       CYS  40  -4.954   3.353   7.076
  301    H    GLY  41           H        GLY  41  -4.078   5.185   5.672
  302   1HA   GLY  41          1HA       GLY  41  -3.022   6.863   6.907
  303   2HA   GLY  41          2HA       GLY  41  -1.713   5.721   7.254
  304    H    CYS  42           H        CYS  42  -0.315   7.498   6.677
  305    HA   CYS  42           HA       CYS  42   0.554   7.378   3.947
  306   1HB   CYS  42          1HB       CYS  42  -1.192   9.009   3.710
  307   2HB   CYS  42          2HB       CYS  42  -0.455   9.999   4.982
  308    HA   PRO  43           HA       PRO  43   3.800   7.968   7.055
  309   1HB   PRO  43          1HB       PRO  43   5.507   6.053   5.985
  310   2HB   PRO  43          2HB       PRO  43   4.322   5.759   7.268
  311   1HG   PRO  43          1HG       PRO  43   4.244   4.962   4.434
  312   2HG   PRO  43          2HG       PRO  43   3.314   4.330   5.805
  313   1HD   PRO  43          2HD       PRO  43   2.406   6.119   3.768
  314   2HD   PRO  43          1HD       PRO  43   1.515   5.580   5.202
  315    H    LYS  44           H        LYS  44   6.292   8.179   6.540
  316    HA   LYS  44           HA       LYS  44   6.503  10.177   4.455
  317   1HB   LYS  44          1HB       LYS  44   7.450  10.755   6.617
  318   2HB   LYS  44          2HB       LYS  44   8.434   9.281   6.620
  319   1HG   LYS  44          1HG       LYS  44  10.055  10.588   5.745
  320   2HG   LYS  44          2HG       LYS  44   9.148  10.448   4.230
  321   1HD   LYS  44          1HD       LYS  44   8.168  12.555   4.471
  322   2HD   LYS  44          2HD       LYS  44   8.433  12.589   6.222
  323   1HE   LYS  44          1HE       LYS  44  10.233  13.873   5.787
  324   2HE   LYS  44          2HE       LYS  44  11.005  12.399   5.178
  325   1HZ   LYS  44          3HZ       LYS  44  10.156  13.030   2.985
  326   2HZ   LYS  44          1HZ       LYS  44   9.507  14.270   3.498
  327   3HZ   LYS  44          2HZ       LYS  44  10.994  14.153   3.494
  328    H    VAL  45           H        VAL  45   7.547  10.041   2.645
  329    HA   VAL  45           HA       VAL  45   8.159   7.437   1.615
  330    HB   VAL  45           HB       VAL  45   8.443   8.499  -0.495
  331   1HG1  VAL  45          3HG1      VAL  45   6.205   7.988   0.204
  332   2HG1  VAL  45          1HG1      VAL  45   6.061   9.567   0.994
  333   3HG1  VAL  45          2HG1      VAL  45   6.235   9.471  -0.766
  334   1HG2  VAL  45          1HG2      VAL  45   9.637  10.536   0.233
  335   2HG2  VAL  45          2HG2      VAL  45   8.221  10.944  -0.749
  336   3HG2  VAL  45          3HG2      VAL  45   8.159  11.125   1.012
  337    H    LYS  46           H        LYS  46  10.041   6.534   2.030
  338    HA   LYS  46           HA       LYS  46  12.401   8.107   2.659
  339   1HB   LYS  46          1HB       LYS  46  11.566   5.346   3.213
  340   2HB   LYS  46          2HB       LYS  46  13.297   5.682   3.044
  341   1HG   LYS  46          1HG       LYS  46  13.032   7.554   4.689
  342   2HG   LYS  46          2HG       LYS  46  11.351   7.046   4.931
  343   1HD   LYS  46          1HD       LYS  46  13.045   4.745   5.180
  344   2HD   LYS  46          2HD       LYS  46  13.698   6.039   6.200
  345   1HE   LYS  46          1HE       LYS  46  11.980   5.905   7.661
  346   2HE   LYS  46          2HE       LYS  46  10.775   5.789   6.366
  347   1HZ   LYS  46          3HZ       LYS  46  11.359   3.430   6.224
  348   2HZ   LYS  46          1HZ       LYS  46  12.373   3.527   7.314
  349   3HZ   LYS  46          2HZ       LYS  46  10.926   3.712   7.624
  350    HA   PRO  47           HA       PRO  47  14.192   7.452  -1.277
  351   1HB   PRO  47          1HB       PRO  47  16.882   7.512  -0.595
  352   2HB   PRO  47          2HB       PRO  47  15.867   8.952  -0.783
  353   1HG   PRO  47          1HG       PRO  47  16.915   7.714   1.674
  354   2HG   PRO  47          2HG       PRO  47  16.281   9.349   1.422
  355   1HD   PRO  47          2HD       PRO  47  14.956   7.146   2.674
  356   2HD   PRO  47          1HD       PRO  47  14.282   8.745   2.318
  357    H    GLY  48           H        GLY  48  14.733   5.853  -2.563
  358   1HA   GLY  48          1HA       GLY  48  15.779   3.854  -3.229
  359   2HA   GLY  48          2HA       GLY  48  16.006   3.458  -1.517
  360    H    VAL  49           H        VAL  49  13.233   4.172  -0.897
  361    HA   VAL  49           HA       VAL  49  11.920   1.743  -1.883
  362    HB   VAL  49           HB       VAL  49  11.475   3.251   0.673
  363   1HG1  VAL  49          1HG1      VAL  49  10.095   0.800  -0.381
  364   2HG1  VAL  49          2HG1      VAL  49   9.939   1.464   1.254
  365   3HG1  VAL  49          3HG1      VAL  49   9.383   2.404  -0.140
  366   1HG2  VAL  49          3HG2      VAL  49  12.645   0.506   0.091
  367   2HG2  VAL  49          1HG2      VAL  49  13.559   1.924   0.632
  368   3HG2  VAL  49          2HG2      VAL  49  12.354   1.186   1.700
  369    H    ASN  50           H        ASN  50  10.011   1.912  -2.899
  370    HA   ASN  50           HA       ASN  50   9.093   4.536  -3.707
  371   1HB   ASN  50          1HB       ASN  50   7.914   1.888  -4.566
  372   2HB   ASN  50          2HB       ASN  50   7.840   3.450  -5.401
  373   1HD2  ASN  50          2HD2      ASN  50  10.275   2.119  -7.451
  374   2HD2  ASN  50          1HD2      ASN  50   8.681   2.481  -7.257
  375    H    LEU  51           H        LEU  51   7.220   5.396  -3.014
  376    HA   LEU  51           HA       LEU  51   5.183   3.820  -1.685
  377   1HB   LEU  51          1HB       LEU  51   6.721   4.264   0.078
  378   2HB   LEU  51          2HB       LEU  51   6.593   6.004  -0.228
  379    HG   LEU  51           HG       LEU  51   3.960   5.112   0.161
  380   1HD1  LEU  51          1HD1      LEU  51   5.759   3.833   2.186
  381   2HD1  LEU  51          2HD1      LEU  51   3.999   3.993   2.302
  382   3HD1  LEU  51          3HD1      LEU  51   4.715   3.019   1.008
  383   1HD2  LEU  51          3HD2      LEU  51   5.873   6.476   2.091
  384   2HD2  LEU  51          1HD2      LEU  51   4.900   7.290   0.854
  385   3HD2  LEU  51          2HD2      LEU  51   4.105   6.476   2.213
  386    H    ASN  52           H        ASN  52   3.208   4.706  -1.948
  387    HA   ASN  52           HA       ASN  52   2.966   7.411  -3.032
  388   1HB   ASN  52          1HB       ASN  52   2.763   5.364  -4.724
  389   2HB   ASN  52          2HB       ASN  52   1.126   5.280  -4.048
  390   1HD2  ASN  52          2HD2      ASN  52   1.197   7.426  -7.047
  391   2HD2  ASN  52          1HD2      ASN  52   1.654   5.885  -6.699
  392    H    CYS  53           H        CYS  53   1.287   8.508  -2.178
  393    HA   CYS  53           HA       CYS  53  -0.467   7.147  -0.258
  394   1HB   CYS  53          1HB       CYS  53   0.588   9.930  -0.330
  395   2HB   CYS  53          2HB       CYS  53  -0.858   9.492   0.596
  396    H    CYS  54           H        CYS  54  -2.647   7.437  -0.444
  397    HA   CYS  54           HA       CYS  54  -3.822   9.226  -2.362
  398   1HB   CYS  54          1HB       CYS  54  -5.152   7.206  -3.316
  399   2HB   CYS  54          2HB       CYS  54  -3.549   7.590  -3.965
  400    NH1  ARG  55           NH2      ARG  55  -7.024  14.343   3.165
  401    NH2  ARG  55           NH1      ARG  55  -8.051  12.844   4.605
  402    H    ARG  55           H        ARG  55  -6.161   9.179  -2.214
  403    HA   ARG  55           HA       ARG  55  -7.088   8.313   0.432
  404   1HB   ARG  55          1HB       ARG  55  -7.914  10.806  -1.090
  405   2HB   ARG  55          2HB       ARG  55  -8.551  10.288   0.479
  406   1HG   ARG  55          1HG       ARG  55  -6.165  10.389   1.348
  407   2HG   ARG  55          2HG       ARG  55  -5.731  11.182  -0.175
  408   1HD   ARG  55          1HD       ARG  55  -6.152  13.035   1.144
  409   2HD   ARG  55          2HD       ARG  55  -7.766  12.766   0.464
  410    HE   ARG  55           HE       ARG  55  -7.910  11.319   2.686
  411   1HH1  ARG  55          1HH2      ARG  55  -6.657  14.535   2.311
  412   2HH1  ARG  55          2HH2      ARG  55  -7.028  15.011   3.841
  413   1HH2  ARG  55          1HH1      ARG  55  -8.411  11.982   4.777
  414   2HH2  ARG  55          2HH1      ARG  55  -8.058  13.507   5.286
  415    H    THR  56           H        THR  56  -7.243   7.105  -2.296
  416    HA   THR  56           HA       THR  56 -10.153   6.977  -2.648
  417    HB   THR  56           HB       THR  56  -9.313   5.760  -4.821
  418    HG1  THR  56           HG1      THR  56  -7.088   6.770  -5.378
  419   1HG2  THR  56          1HG2      THR  56  -8.868   8.746  -4.479
  420   2HG2  THR  56          2HG2      THR  56  -9.071   7.896  -6.020
  421   3HG2  THR  56          3HG2      THR  56 -10.412   7.968  -4.865
  422    H    ASP  57           H        ASP  57 -11.220   5.083  -2.712
  423    HA   ASP  57           HA       ASP  57 -10.467   3.137  -0.844
  424   1HB   ASP  57          1HB       ASP  57 -12.694   3.571  -2.705
  425   2HB   ASP  57          2HB       ASP  57 -12.290   1.860  -2.478
  426    NH1  ARG  58           NH2      ARG  58 -12.421  -3.756  -5.233
  427    NH2  ARG  58           NH1      ARG  58 -13.820  -3.226  -3.463
  428    H    ARG  58           H        ARG  58  -9.454   1.236  -1.087
  429    HA   ARG  58           HA       ARG  58  -7.968  -0.289  -1.949
  430   1HB   ARG  58          1HB       ARG  58 -10.446  -0.425  -3.386
  431   2HB   ARG  58          2HB       ARG  58  -9.101  -0.770  -4.487
  432   1HG   ARG  58          1HG       ARG  58  -8.238  -2.451  -2.892
  433   2HG   ARG  58          2HG       ARG  58  -9.602  -2.117  -1.811
  434   1HD   ARG  58          1HD       ARG  58 -10.074  -2.937  -4.677
  435   2HD   ARG  58          2HD       ARG  58  -9.766  -4.154  -3.426
  436    HE   ARG  58           HE       ARG  58 -11.715  -2.770  -2.284
  437   1HH1  ARG  58          1HH2      ARG  58 -11.543  -3.840  -5.584
  438   2HH1  ARG  58          2HH2      ARG  58 -13.172  -3.960  -5.779
  439   1HH2  ARG  58          1HH1      ARG  58 -13.941  -2.937  -2.566
  440   2HH2  ARG  58          2HH1      ARG  58 -14.576  -3.428  -4.003
  441    H    CYS  59           H        CYS  59  -7.485   2.528  -2.530
  442    HA   CYS  59           HA       CYS  59  -6.576   2.820  -5.205
  443   1HB   CYS  59          1HB       CYS  59  -5.654   4.901  -4.548
  444   2HB   CYS  59          2HB       CYS  59  -7.191   4.734  -3.685
  445    H    ASN  60           H        ASN  60  -5.307   1.496  -2.314
  446    HA   ASN  60           HA       ASN  60  -2.608   1.305  -3.389
  447   1HB   ASN  60          1HB       ASN  60  -2.101   0.234  -1.171
  448   2HB   ASN  60          2HB       ASN  60  -2.704   1.896  -1.044
  449   1HD2  ASN  60          2HD2      ASN  60  -4.440   0.098   1.523
  450   2HD2  ASN  60          1HD2      ASN  60  -2.932   0.659   1.172
  451    H    ASN  61           H        ASN  61  -3.232  -0.139  -5.083
  452    HA   ASN  61           HA       ASN  61  -3.601  -2.916  -4.206
  453   1HB   ASN  61          1HB       ASN  61  -4.966  -3.387  -6.098
  454   2HB   ASN  61          2HB       ASN  61  -5.617  -1.890  -5.410
  455   1HD2  ASN  61          2HD2      ASN  61  -5.371  -0.154  -8.302
  456   2HD2  ASN  61          1HD2      ASN  61  -6.100  -0.449  -6.856
   
  Start of MODEL           6
 Raw file had 456 H/Q atoms
  Start of MODEL    6
    1   1H    LEU   1          2H        LEU   1 -14.065   2.913   5.278
    2   2H    LEU   1          3H        LEU   1 -12.893   3.412   6.053
    3   3H    LEU   1          1H        LEU   1 -13.824   4.379   5.404
    4    HA   LEU   1           HA       LEU   1 -13.198   3.706   3.178
    5   1HB   LEU   1          1HB       LEU   1 -11.850   5.421   4.713
    6   2HB   LEU   1          2HB       LEU   1 -10.599   4.175   4.557
    7    HG   LEU   1           HG       LEU   1 -11.799   4.955   2.001
    8   1HD1  LEU   1          3HD1      LEU   1 -12.061   7.085   3.035
    9   2HD1  LEU   1          1HD1      LEU   1 -10.370   7.074   3.563
   10   3HD1  LEU   1          2HD1      LEU   1 -10.758   7.130   1.836
   11   1HD2  LEU   1          3HD2      LEU   1  -8.947   4.902   3.052
   12   2HD2  LEU   1          1HD2      LEU   1  -9.762   3.574   2.208
   13   3HD2  LEU   1          2HD2      LEU   1  -9.421   5.089   1.355
   14    H    GLU   2           H        GLU   2 -13.001   1.971   2.132
   15    HA   GLU   2           HA       GLU   2 -11.693  -0.345   3.312
   16   1HB   GLU   2          1HB       GLU   2 -14.052  -0.180   2.028
   17   2HB   GLU   2          2HB       GLU   2 -12.980  -0.664   0.702
   18   1HG   GLU   2          1HG       GLU   2 -12.143  -2.541   2.078
   19   2HG   GLU   2          2HG       GLU   2 -13.240  -2.063   3.385
   20    H    CYS   3           H        CYS   3  -9.701  -0.825   2.762
   21    HA   CYS   3           HA       CYS   3  -8.673  -0.105   0.121
   22   1HB   CYS   3          1HB       CYS   3  -7.283   0.264   2.779
   23   2HB   CYS   3          2HB       CYS   3  -6.443   0.285   1.219
   24    H    HIS   4           H        HIS   4  -6.684  -1.377  -0.361
   25    HA   HIS   4           HA       HIS   4  -7.275  -4.145  -0.133
   26   1HB   HIS   4          1HB       HIS   4  -5.026  -2.675  -1.415
   27   2HB   HIS   4          2HB       HIS   4  -5.132  -4.443  -1.357
   28    HD2  HIS   4           HD2      HIS   4  -6.406  -1.526  -3.476
   29    HE1  HIS   4           HE1      HIS   4  -8.685  -4.921  -4.617
   30    H    ASN   5           H        ASN   5  -5.829  -5.722   0.751
   31    HA   ASN   5           HA       ASN   5  -4.202  -4.775   3.007
   32   1HB   ASN   5          1HB       ASN   5  -4.857  -7.221   3.864
   33   2HB   ASN   5          2HB       ASN   5  -5.889  -5.817   4.189
   34   1HD2  ASN   5          2HD2      ASN   5  -8.517  -7.658   3.003
   35   2HD2  ASN   5          1HD2      ASN   5  -7.773  -6.931   4.278
   36    H    GLN   6           H        GLN   6  -4.730  -7.208   0.537
   37    HA   GLN   6           HA       GLN   6  -2.782  -9.035   0.864
   38   1HB   GLN   6          1HB       GLN   6  -2.462  -8.877  -1.712
   39   2HB   GLN   6          2HB       GLN   6  -4.052  -9.339  -1.079
   40   1HG   GLN   6          1HG       GLN   6  -5.040  -7.441  -1.832
   41   2HG   GLN   6          2HG       GLN   6  -3.654  -6.430  -1.390
   42   1HE2  GLN   6          2HE2      GLN   6  -4.299  -6.866  -5.114
   43   2HE2  GLN   6          1HE2      GLN   6  -5.342  -6.704  -3.852
   44    H    GLN   7           H        GLN   7  -0.649  -9.257   0.468
   45    HA   GLN   7           HA       GLN   7   0.899  -6.783   0.150
   46   1HB   GLN   7          1HB       GLN   7   0.788  -7.812   2.504
   47   2HB   GLN   7          2HB       GLN   7   1.905  -9.021   1.846
   48   1HG   GLN   7          1HG       GLN   7   2.827  -6.461   1.003
   49   2HG   GLN   7          2HG       GLN   7   2.472  -6.352   2.736
   50   1HE2  GLN   7          2HE2      GLN   7   5.952  -7.479   2.079
   51   2HE2  GLN   7          1HE2      GLN   7   5.030  -6.229   1.538
   52    H    SER   8           H        SER   8   2.884  -7.005  -0.901
   53    HA   SER   8           HA       SER   8   4.386  -7.767  -2.452
   54   1HB   SER   8          1HB       SER   8   3.556 -10.231  -1.042
   55   2HB   SER   8          2HB       SER   8   4.357 -10.415  -2.612
   56    HG   SER   8           HG       SER   8   5.901 -10.480  -0.818
   57    H    SER   9           H        SER   9   2.481 -10.579  -2.987
   58    HA   SER   9           HA       SER   9   1.147  -9.410  -5.304
   59   1HB   SER   9          1HB       SER   9   2.743 -11.990  -5.345
   60   2HB   SER   9          2HB       SER   9   1.751 -11.366  -6.675
   61    HG   SER   9           HG       SER   9   4.053 -10.923  -7.006
   62    H    GLN  10           H        GLN  10   0.187 -10.104  -2.717
   63    HA   GLN  10           HA       GLN  10  -1.151 -12.573  -2.656
   64   1HB   GLN  10          1HB       GLN  10  -1.012 -10.240  -0.993
   65   2HB   GLN  10          2HB       GLN  10  -2.681 -10.814  -1.145
   66   1HG   GLN  10          1HG       GLN  10  -2.264 -12.613   0.135
   67   2HG   GLN  10          2HG       GLN  10  -0.824 -13.030  -0.811
   68   1HE2  GLN  10          2HE2      GLN  10  -0.432 -11.780   2.858
   69   2HE2  GLN  10          1HE2      GLN  10  -1.747 -12.493   2.174
   70    HA   PRO  11           HA       PRO  11  -4.759 -11.827  -5.004
   71   1HB   PRO  11          1HB       PRO  11  -6.835 -12.640  -3.350
   72   2HB   PRO  11          2HB       PRO  11  -5.778 -13.746  -4.244
   73   1HG   PRO  11          1HG       PRO  11  -5.846 -13.148  -1.361
   74   2HG   PRO  11          2HG       PRO  11  -5.118 -14.526  -2.206
   75   1HD   PRO  11          2HD       PRO  11  -3.774 -12.252  -1.113
   76   2HD   PRO  11          1HD       PRO  11  -3.063 -13.572  -2.057
   77    HA   PRO  12           HA       PRO  12  -6.709  -8.060  -4.180
   78   1HB   PRO  12          1HB       PRO  12  -9.203  -8.379  -5.362
   79   2HB   PRO  12          2HB       PRO  12  -7.709  -8.046  -6.255
   80   1HG   PRO  12          1HG       PRO  12  -9.252 -10.548  -6.063
   81   2HG   PRO  12          2HG       PRO  12  -8.033 -10.069  -7.257
   82   1HD   PRO  12          2HD       PRO  12  -7.702 -11.872  -5.061
   83   2HD   PRO  12          1HD       PRO  12  -6.454 -11.302  -6.185
   84    H    THR  13           H        THR  13  -6.755  -8.286  -1.955
   85    HA   THR  13           HA       THR  13  -9.409  -8.826  -0.808
   86    HB   THR  13           HB       THR  13  -8.013  -9.256   1.310
   87    HG1  THR  13           HG1      THR  13  -5.703  -9.954   0.634
   88   1HG2  THR  13          3HG2      THR  13  -9.028 -11.117   0.050
   89   2HG2  THR  13          1HG2      THR  13  -7.620 -11.157  -1.024
   90   3HG2  THR  13          2HG2      THR  13  -7.438 -11.566   0.690
   91    H    THR  14           H        THR  14 -10.308  -7.420   0.510
   92    HA   THR  14           HA       THR  14  -8.909  -4.903   1.068
   93    HB   THR  14           HB       THR  14 -11.833  -4.913   0.299
   94    HG1  THR  14           HG1      THR  14 -11.099  -4.718  -1.981
   95   1HG2  THR  14          1HG2      THR  14  -9.474  -3.063  -0.402
   96   2HG2  THR  14          2HG2      THR  14 -11.185  -2.721  -0.711
   97   3HG2  THR  14          3HG2      THR  14 -10.573  -2.752   0.952
   98    H    LYS  15           H        LYS  15 -10.118  -3.591   2.664
   99    HA   LYS  15           HA       LYS  15 -11.856  -4.796   4.527
  100   1HB   LYS  15          1HB       LYS  15  -9.483  -5.912   4.867
  101   2HB   LYS  15          2HB       LYS  15  -9.121  -4.388   5.696
  102   1HG   LYS  15          1HG       LYS  15 -11.704  -5.452   6.513
  103   2HG   LYS  15          2HG       LYS  15 -10.406  -6.627   6.785
  104   1HD   LYS  15          1HD       LYS  15  -9.506  -4.013   7.591
  105   2HD   LYS  15          2HD       LYS  15 -11.065  -4.357   8.359
  106   1HE   LYS  15          1HE       LYS  15  -9.620  -6.750   8.577
  107   2HE   LYS  15          2HE       LYS  15  -8.439  -5.476   8.926
  108   1HZ   LYS  15          3HZ       LYS  15 -10.011  -4.673  10.600
  109   2HZ   LYS  15          1HZ       LYS  15 -11.005  -5.745  10.307
  110   3HZ   LYS  15          2HZ       LYS  15  -9.690  -6.094  10.918
  111    H    THR  16           H        THR  16 -12.243  -3.453   6.373
  112    HA   THR  16           HA       THR  16 -12.304  -0.690   5.563
  113    HB   THR  16           HB       THR  16 -13.653  -2.297   7.716
  114    HG1  THR  16           HG1      THR  16 -15.505  -1.516   6.398
  115   1HG2  THR  16          3HG2      THR  16 -13.173   0.094   8.568
  116   2HG2  THR  16          1HG2      THR  16 -13.933   0.704   7.089
  117   3HG2  THR  16          2HG2      THR  16 -14.893  -0.201   8.270
  118    H    CYS  17           H        CYS  17 -11.335   0.975   6.626
  119    HA   CYS  17           HA       CYS  17  -9.131   0.292   8.411
  120   1HB   CYS  17          1HB       CYS  17  -9.667   2.629   6.599
  121   2HB   CYS  17          2HB       CYS  17  -8.517   2.766   7.940
  122    H    SER  18           H        SER  18  -8.704   2.321   9.910
  123    HA   SER  18           HA       SER  18 -11.102   2.551  11.550
  124   1HB   SER  18          1HB       SER  18  -8.324   3.395  12.375
  125   2HB   SER  18          2HB       SER  18  -9.701   2.957  13.402
  126    HG   SER  18           HG       SER  18  -8.039   1.270  13.381
  127    H    GLY  19           H        GLY  19  -9.913   4.832  12.946
  128   1HA   GLY  19          1HA       GLY  19 -11.329   6.915  11.888
  129   2HA   GLY  19          2HA       GLY  19  -9.916   7.122  12.938
  130    H    GLU  20           H        GLU  20  -8.397   5.579  10.785
  131    HA   GLU  20           HA       GLU  20  -7.408   7.864   9.380
  132   1HB   GLU  20          1HB       GLU  20  -6.291   5.487  10.171
  133   2HB   GLU  20          2HB       GLU  20  -6.429   5.315   8.413
  134   1HG   GLU  20          1HG       GLU  20  -5.310   7.820   9.681
  135   2HG   GLU  20          2HG       GLU  20  -4.288   6.414   9.337
  136    H    THR  21           H        THR  21  -8.144   8.568   7.518
  137    HA   THR  21           HA       THR  21  -9.767   6.819   5.813
  138    HB   THR  21           HB       THR  21 -11.104   8.586   6.681
  139    HG1  THR  21           HG1      THR  21 -11.605   9.648   4.582
  140   1HG2  THR  21          1HG2      THR  21  -9.050  10.484   5.390
  141   2HG2  THR  21          2HG2      THR  21 -10.533  10.977   6.226
  142   3HG2  THR  21          3HG2      THR  21  -9.195  10.267   7.143
  143    H    ASN  22           H        ASN  22  -6.953   6.781   5.714
  144    HA   ASN  22           HA       ASN  22  -6.519   7.634   2.965
  145   1HB   ASN  22          1HB       ASN  22  -4.636   8.223   5.270
  146   2HB   ASN  22          2HB       ASN  22  -4.206   8.381   3.558
  147   1HD2  ASN  22          2HD2      ASN  22  -6.939  10.901   5.285
  148   2HD2  ASN  22          1HD2      ASN  22  -6.714   9.369   5.844
  149    H    CYS  23           H        CYS  23  -4.853   6.417   1.947
  150    HA   CYS  23           HA       CYS  23  -3.609   4.208   3.321
  151   1HB   CYS  23          1HB       CYS  23  -5.086   3.462   0.844
  152   2HB   CYS  23          2HB       CYS  23  -4.618   2.466   2.233
  153    OH   TYR  24           OH       TYR  24   2.880   1.876   5.467
  154    H    TYR  24           H        TYR  24  -1.831   3.449   2.275
  155    HA   TYR  24           HA       TYR  24  -1.014   4.785  -0.211
  156   1HB   TYR  24          1HB       TYR  24   1.083   5.341   0.782
  157   2HB   TYR  24          2HB       TYR  24  -0.153   5.830   1.954
  158    HD1  TYR  24           HD2      TYR  24  -0.612   4.312   3.929
  159    HD2  TYR  24           HD1      TYR  24   2.776   3.816   1.378
  160    HE1  TYR  24           HE2      TYR  24   0.538   2.921   5.713
  161    HE2  TYR  24           HE1      TYR  24   3.914   2.427   3.172
  162    HH   TYR  24           HH       TYR  24   2.231   1.796   6.332
  163    H    LYS  25           H        LYS  25   0.731   3.678  -1.284
  164    HA   LYS  25           HA       LYS  25   1.104   0.866  -0.561
  165   1HB   LYS  25          1HB       LYS  25   1.121   0.478  -3.122
  166   2HB   LYS  25          2HB       LYS  25  -0.448   0.673  -2.320
  167   1HG   LYS  25          1HG       LYS  25  -0.249   3.165  -2.909
  168   2HG   LYS  25          2HG       LYS  25   1.069   2.687  -3.991
  169   1HD   LYS  25          1HD       LYS  25  -1.155   0.928  -4.425
  170   2HD   LYS  25          2HD       LYS  25  -1.737   2.601  -4.484
  171   1HE   LYS  25          1HE       LYS  25   0.629   1.524  -6.055
  172   2HE   LYS  25          2HE       LYS  25  -0.999   1.767  -6.710
  173   1HZ   LYS  25          1HZ       LYS  25   0.675   3.926  -5.659
  174   2HZ   LYS  25          2HZ       LYS  25   0.415   3.705  -7.112
  175   3HZ   LYS  25          3HZ       LYS  25  -0.695   4.130  -6.211
  176    H    LYS  26           H        LYS  26   3.042   0.072  -0.714
  177    HA   LYS  26           HA       LYS  26   5.179   1.755  -1.811
  178   1HB   LYS  26          1HB       LYS  26   6.515   0.778   0.214
  179   2HB   LYS  26          2HB       LYS  26   5.600   2.294   0.289
  180   1HG   LYS  26          1HG       LYS  26   3.857   1.331   1.516
  181   2HG   LYS  26          2HG       LYS  26   4.269  -0.312   0.999
  182   1HD   LYS  26          1HD       LYS  26   6.010   1.389   2.811
  183   2HD   LYS  26          2HD       LYS  26   4.850   0.182   3.393
  184   1HE   LYS  26          1HE       LYS  26   6.270  -1.263   1.540
  185   2HE   LYS  26          2HE       LYS  26   7.519  -0.185   2.186
  186   1HZ   LYS  26          3HZ       LYS  26   6.900  -1.018   4.388
  187   2HZ   LYS  26          1HZ       LYS  26   5.848  -1.925   3.844
  188   3HZ   LYS  26          2HZ       LYS  26   7.286  -2.187   3.547
  189    CH2  TRP  27           CH2      TRP  27   4.378   3.144  -6.045
  190    H    TRP  27           H        TRP  27   6.784   0.642  -2.816
  191    HA   TRP  27           HA       TRP  27   6.997  -2.229  -2.674
  192   1HB   TRP  27          1HB       TRP  27   6.720  -2.581  -5.066
  193   2HB   TRP  27          2HB       TRP  27   5.238  -1.910  -4.365
  194    HD1  TRP  27           HD1      TRP  27   7.662  -1.295  -7.144
  195    HE1  TRP  27           HE1      TRP  27   7.131   0.916  -8.313
  196    HE3  TRP  27           HE3      TRP  27   4.388   0.568  -3.744
  197    HZ2  TRP  27           HZ2      TRP  27   5.527   3.211  -7.892
  198    HZ3  TRP  27           HZ3      TRP  27   3.386   2.803  -4.198
  199    HH2  TRP  27           HH2      TRP  27   3.909   4.112  -6.188
  200    CH2  TRP  28           CH2      TRP  28   9.563  -4.453   1.473
  201    H    TRP  28           H        TRP  28   8.886  -2.986  -3.781
  202    HA   TRP  28           HA       TRP  28  10.880  -1.122  -4.676
  203   1HB   TRP  28          1HB       TRP  28  12.425  -1.265  -2.991
  204   2HB   TRP  28          2HB       TRP  28  10.886  -0.901  -2.194
  205    HD1  TRP  28           HD1      TRP  28  13.425  -3.784  -2.570
  206    HE1  TRP  28           HE1      TRP  28  13.023  -5.470  -0.690
  207    HE3  TRP  28           HE3      TRP  28   9.192  -1.749  -0.644
  208    HZ2  TRP  28           HZ2      TRP  28  11.157  -5.932   1.389
  209    HZ3  TRP  28           HZ3      TRP  28   8.145  -2.878   1.312
  210    HH2  TRP  28           HH2      TRP  28   9.061  -4.901   2.324
  211    H    SER  29           H        SER  29  12.194  -2.177  -6.027
  212    HA   SER  29           HA       SER  29  11.809  -5.000  -6.499
  213   1HB   SER  29          1HB       SER  29  13.311  -4.627  -8.443
  214   2HB   SER  29          2HB       SER  29  11.819  -3.671  -8.451
  215    HG   SER  29           HG       SER  29  13.692  -2.396  -9.136
  216    H    ASP  30           H        ASP  30  13.346  -6.538  -6.233
  217    HA   ASP  30           HA       ASP  30  15.724  -5.824  -4.675
  218   1HB   ASP  30          1HB       ASP  30  15.061  -8.668  -4.898
  219   2HB   ASP  30          2HB       ASP  30  15.448  -7.699  -3.466
  220    H    HIS  31           H        HIS  31  17.111  -8.170  -5.066
  221    HA   HIS  31           HA       HIS  31  18.639  -7.720  -7.312
  222   1HB   HIS  31          1HB       HIS  31  18.454  -9.825  -5.329
  223   2HB   HIS  31          2HB       HIS  31  19.064 -10.343  -6.909
  224    HD2  HIS  31           HD2      HIS  31  21.576  -9.302  -7.627
  225    HE1  HIS  31           HE1      HIS  31  22.330  -7.393  -3.910
  226    NH1  ARG  32           NH2      ARG  32  18.171 -15.480 -12.231
  227    NH2  ARG  32           NH1      ARG  32  16.894 -17.246 -11.443
  228    H    ARG  32           H        ARG  32  16.413 -10.447  -6.881
  229    HA   ARG  32           HA       ARG  32  15.607 -10.225  -9.682
  230   1HB   ARG  32          1HB       ARG  32  17.254 -12.020  -9.615
  231   2HB   ARG  32          2HB       ARG  32  16.414 -12.776  -8.251
  232   1HG   ARG  32          1HG       ARG  32  14.858 -13.731  -9.585
  233   2HG   ARG  32          2HG       ARG  32  14.690 -12.277 -10.584
  234   1HD   ARG  32          1HD       ARG  32  15.856 -13.313 -12.200
  235   2HD   ARG  32          2HD       ARG  32  17.267 -13.315 -11.127
  236    HE   ARG  32           HE       ARG  32  15.387 -15.465 -10.677
  237   1HH1  ARG  32          1HH2      ARG  32  18.294 -14.544 -12.339
  238   2HH1  ARG  32          2HH2      ARG  32  18.821 -16.086 -12.567
  239   1HH2  ARG  32          1HH1      ARG  32  16.120 -17.568 -10.996
  240   2HH2  ARG  32          2HH1      ARG  32  17.539 -17.858 -11.777
  241    H    GLY  33           H        GLY  33  14.081  -9.156  -7.829
  242   1HA   GLY  33          1HA       GLY  33  11.643 -10.585  -8.027
  243   2HA   GLY  33          2HA       GLY  33  12.269 -10.589  -6.368
  244    H    THR  34           H        THR  34  10.118  -9.431  -6.189
  245    HA   THR  34           HA       THR  34  10.598  -6.612  -5.891
  246    HB   THR  34           HB       THR  34   8.622  -7.730  -7.922
  247    HG1  THR  34           HG1      THR  34   9.802  -6.110  -9.252
  248   1HG2  THR  34          3HG2      THR  34   7.537  -5.865  -6.501
  249   2HG2  THR  34          1HG2      THR  34   8.923  -4.839  -6.908
  250   3HG2  THR  34          2HG2      THR  34   7.816  -5.380  -8.183
  251    H    ILE  35           H        ILE  35   9.903  -6.067  -4.042
  252    HA   ILE  35           HA       ILE  35   7.808  -7.632  -2.738
  253    HB   ILE  35           HB       ILE  35   9.828  -5.683  -1.580
  254   1HG1  ILE  35          1HG1      ILE  35  10.814  -7.827  -2.335
  255   2HG1  ILE  35          2HG1      ILE  35  10.850  -7.661  -0.571
  256   1HG2  ILE  35          3HG2      ILE  35   7.801  -5.546  -0.339
  257   2HG2  ILE  35          1HG2      ILE  35   7.752  -7.307  -0.158
  258   3HG2  ILE  35          2HG2      ILE  35   9.053  -6.375   0.602
  259   1HD1  ILE  35          1HD1      ILE  35   8.795  -9.240  -2.161
  260   2HD1  ILE  35          2HD1      ILE  35  10.138  -9.930  -1.233
  261   3HD1  ILE  35          3HD1      ILE  35   8.830  -9.074  -0.398
  262    H    ILE  36           H        ILE  36   5.987  -6.813  -2.008
  263    HA   ILE  36           HA       ILE  36   5.383  -4.011  -2.592
  264    HB   ILE  36           HB       ILE  36   3.345  -6.172  -3.097
  265   1HG1  ILE  36          1HG1      ILE  36   5.478  -6.604  -4.442
  266   2HG1  ILE  36          2HG1      ILE  36   3.985  -6.393  -5.373
  267   1HG2  ILE  36          3HG2      ILE  36   2.509  -3.951  -2.886
  268   2HG2  ILE  36          1HG2      ILE  36   3.629  -3.374  -4.131
  269   3HG2  ILE  36          2HG2      ILE  36   2.349  -4.521  -4.555
  270   1HD1  ILE  36          1HD1      ILE  36   6.077  -4.245  -4.869
  271   2HD1  ILE  36          2HD1      ILE  36   5.848  -5.130  -6.387
  272   3HD1  ILE  36          3HD1      ILE  36   4.585  -4.034  -5.801
  273    H    GLU  37           H        GLU  37   3.768  -3.085  -1.373
  274    HA   GLU  37           HA       GLU  37   2.617  -4.434   0.866
  275   1HB   GLU  37          1HB       GLU  37   5.095  -3.859   1.470
  276   2HB   GLU  37          2HB       GLU  37   4.499  -2.195   1.585
  277   1HG   GLU  37          1HG       GLU  37   3.137  -4.473   3.030
  278   2HG   GLU  37          2HG       GLU  37   4.509  -3.604   3.742
  279    NH1  ARG  38           NH2      ARG  38   2.305  -1.432  -2.763
  280    NH2  ARG  38           NH1      ARG  38   1.703  -1.729  -4.982
  281    H    ARG  38           H        ARG  38   0.970  -3.361   1.757
  282    HA   ARG  38           HA       ARG  38   0.427  -0.608   1.050
  283   1HB   ARG  38          1HB       ARG  38  -1.331  -2.927   0.204
  284   2HB   ARG  38          2HB       ARG  38  -1.916  -1.258   0.313
  285   1HG   ARG  38          1HG       ARG  38  -1.250  -1.128  -1.850
  286   2HG   ARG  38          2HG       ARG  38   0.366  -0.921  -1.154
  287   1HD   ARG  38          1HD       ARG  38   0.836  -3.286  -1.399
  288   2HD   ARG  38          2HD       ARG  38  -0.829  -3.608  -1.912
  289    HE   ARG  38           HE       ARG  38  -0.210  -2.933  -4.020
  290   1HH1  ARG  38          1HH2      ARG  38   2.125  -1.571  -1.841
  291   2HH1  ARG  38          2HH2      ARG  38   3.079  -0.948  -3.027
  292   1HH2  ARG  38          1HH1      ARG  38   1.103  -2.074  -5.633
  293   2HH2  ARG  38          2HH1      ARG  38   2.475  -1.247  -5.254
  294    H    GLY  39           H        GLY  39  -1.302   0.290   2.258
  295   1HA   GLY  39          1HA       GLY  39  -2.811  -0.989   4.213
  296   2HA   GLY  39          2HA       GLY  39  -1.314  -0.406   4.963
  297    H    CYS  40           H        CYS  40  -3.270   0.734   6.072
  298    HA   CYS  40           HA       CYS  40  -4.332   3.050   4.738
  299   1HB   CYS  40          1HB       CYS  40  -5.045   1.567   7.005
  300   2HB   CYS  40          2HB       CYS  40  -4.693   3.222   7.532
  301    H    GLY  41           H        GLY  41  -4.109   5.105   6.272
  302   1HA   GLY  41          1HA       GLY  41  -2.813   6.748   7.229
  303   2HA   GLY  41          2HA       GLY  41  -1.553   5.527   7.472
  304    H    CYS  42           H        CYS  42  -0.323   7.530   6.779
  305    HA   CYS  42           HA       CYS  42   0.538   7.201   4.060
  306   1HB   CYS  42          1HB       CYS  42  -1.122   9.507   4.816
  307   2HB   CYS  42          2HB       CYS  42   0.310   9.812   3.816
  308    HA   PRO  43           HA       PRO  43   3.744   8.354   7.055
  309   1HB   PRO  43          1HB       PRO  43   5.579   6.455   6.187
  310   2HB   PRO  43          2HB       PRO  43   4.423   6.227   7.511
  311   1HG   PRO  43          1HG       PRO  43   4.389   5.107   4.787
  312   2HG   PRO  43          2HG       PRO  43   3.512   4.573   6.232
  313   1HD   PRO  43          2HD       PRO  43   2.471   6.049   4.016
  314   2HD   PRO  43          1HD       PRO  43   1.627   5.617   5.513
  315    H    LYS  44           H        LYS  44   6.231   8.635   6.467
  316    HA   LYS  44           HA       LYS  44   6.304  10.510   4.285
  317   1HB   LYS  44          1HB       LYS  44   7.639  10.261   6.736
  318   2HB   LYS  44          2HB       LYS  44   8.849  10.236   5.441
  319   1HG   LYS  44          1HG       LYS  44   7.532  12.236   4.455
  320   2HG   LYS  44          2HG       LYS  44   6.787  12.352   6.059
  321   1HD   LYS  44          1HD       LYS  44   8.562  13.577   6.685
  322   2HD   LYS  44          2HD       LYS  44   9.525  12.094   6.573
  323   1HE   LYS  44          1HE       LYS  44   9.199  13.135   3.930
  324   2HE   LYS  44          2HE       LYS  44   9.718  14.464   4.983
  325   1HZ   LYS  44          3HZ       LYS  44  11.571  13.029   5.642
  326   2HZ   LYS  44          1HZ       LYS  44  11.134  11.911   4.757
  327   3HZ   LYS  44          2HZ       LYS  44  11.621  13.189   4.161
  328    H    VAL  45           H        VAL  45   7.242  10.174   2.370
  329    HA   VAL  45           HA       VAL  45   8.040   7.511   1.616
  330    HB   VAL  45           HB       VAL  45   8.002   8.318  -0.635
  331   1HG1  VAL  45          3HG1      VAL  45   5.822   7.984   0.314
  332   2HG1  VAL  45          1HG1      VAL  45   5.787   9.657   0.894
  333   3HG1  VAL  45          2HG1      VAL  45   5.802   9.322  -0.846
  334   1HG2  VAL  45          1HG2      VAL  45   9.303  10.389  -0.291
  335   2HG2  VAL  45          2HG2      VAL  45   7.816  10.713  -1.196
  336   3HG2  VAL  45          3HG2      VAL  45   7.913  11.127   0.524
  337    H    LYS  46           H        LYS  46   9.926   6.792   2.020
  338    HA   LYS  46           HA       LYS  46  12.203   8.582   2.277
  339   1HB   LYS  46          1HB       LYS  46  12.795   7.162   3.907
  340   2HB   LYS  46          2HB       LYS  46  11.409   6.125   3.529
  341   1HG   LYS  46          1HG       LYS  46  12.801   5.109   1.676
  342   2HG   LYS  46          2HG       LYS  46  14.187   6.008   2.319
  343   1HD   LYS  46          1HD       LYS  46  13.423   4.862   4.596
  344   2HD   LYS  46          2HD       LYS  46  12.712   3.677   3.486
  345   1HE   LYS  46          1HE       LYS  46  15.316   4.208   2.513
  346   2HE   LYS  46          2HE       LYS  46  15.473   4.012   4.267
  347   1HZ   LYS  46          3HZ       LYS  46  14.328   1.883   3.991
  348   2HZ   LYS  46          1HZ       LYS  46  14.195   2.047   2.514
  349   3HZ   LYS  46          2HZ       LYS  46  15.542   1.865   3.126
  350    HA   PRO  47           HA       PRO  47  13.827   7.744  -1.599
  351   1HB   PRO  47          1HB       PRO  47  16.527   8.137  -1.079
  352   2HB   PRO  47          2HB       PRO  47  15.356   9.445  -1.331
  353   1HG   PRO  47          1HG       PRO  47  16.645   8.545   1.161
  354   2HG   PRO  47          2HG       PRO  47  15.832  10.079   0.807
  355   1HD   PRO  47          2HD       PRO  47  14.806   7.877   2.316
  356   2HD   PRO  47          1HD       PRO  47  13.951   9.361   1.862
  357    H    GLY  48           H        GLY  48  14.426   6.080  -2.759
  358   1HA   GLY  48          1HA       GLY  48  15.801   4.178  -3.246
  359   2HA   GLY  48          2HA       GLY  48  15.890   3.882  -1.502
  360    H    VAL  49           H        VAL  49  13.021   4.437  -1.193
  361    HA   VAL  49           HA       VAL  49  11.943   1.922  -2.259
  362    HB   VAL  49           HB       VAL  49  11.126   3.267   0.296
  363   1HG1  VAL  49          3HG1      VAL  49   9.374   1.949  -0.689
  364   2HG1  VAL  49          1HG1      VAL  49  10.469   0.567  -0.857
  365   3HG1  VAL  49          2HG1      VAL  49  10.021   1.153   0.755
  366   1HG2  VAL  49          3HG2      VAL  49  12.965   0.890  -0.170
  367   2HG2  VAL  49          1HG2      VAL  49  13.464   2.478   0.436
  368   3HG2  VAL  49          2HG2      VAL  49  12.388   1.459   1.406
  369    H    ASN  50           H        ASN  50   9.883   1.963  -3.091
  370    HA   ASN  50           HA       ASN  50   8.917   4.541  -4.001
  371   1HB   ASN  50          1HB       ASN  50   7.845   1.795  -4.712
  372   2HB   ASN  50          2HB       ASN  50   7.547   3.323  -5.558
  373   1HD2  ASN  50          2HD2      ASN  50   9.990   1.476  -7.496
  374   2HD2  ASN  50          1HD2      ASN  50   8.421   1.314  -7.027
  375    H    LEU  51           H        LEU  51   7.035   5.394  -3.312
  376    HA   LEU  51           HA       LEU  51   5.047   3.862  -1.891
  377   1HB   LEU  51          1HB       LEU  51   6.935   4.788  -0.299
  378   2HB   LEU  51          2HB       LEU  51   6.061   6.315  -0.511
  379    HG   LEU  51           HG       LEU  51   4.403   3.996   0.262
  380   1HD1  LEU  51          1HD1      LEU  51   6.364   5.271   2.204
  381   2HD1  LEU  51          2HD1      LEU  51   5.057   4.157   2.637
  382   3HD1  LEU  51          3HD1      LEU  51   6.410   3.591   1.645
  383   1HD2  LEU  51          1HD2      LEU  51   3.418   6.143  -0.037
  384   2HD2  LEU  51          2HD2      LEU  51   3.317   5.642   1.658
  385   3HD2  LEU  51          3HD2      LEU  51   4.513   6.851   1.162
  386    H    ASN  52           H        ASN  52   3.072   4.746  -1.863
  387    HA   ASN  52           HA       ASN  52   2.675   7.290  -3.230
  388   1HB   ASN  52          1HB       ASN  52   2.469   5.087  -4.725
  389   2HB   ASN  52          2HB       ASN  52   0.863   5.032  -3.976
  390   1HD2  ASN  52          2HD2      ASN  52   0.567   6.856  -7.104
  391   2HD2  ASN  52          1HD2      ASN  52   0.975   5.340  -6.612
  392    H    CYS  53           H        CYS  53   1.065   8.412  -2.311
  393    HA   CYS  53           HA       CYS  53  -0.640   7.112  -0.303
  394   1HB   CYS  53          1HB       CYS  53   0.716   9.721  -0.338
  395   2HB   CYS  53          2HB       CYS  53  -0.899   9.635   0.386
  396    H    CYS  54           H        CYS  54  -2.812   7.471  -0.423
  397    HA   CYS  54           HA       CYS  54  -4.023   9.349  -2.197
  398   1HB   CYS  54          1HB       CYS  54  -5.329   7.452  -3.361
  399   2HB   CYS  54          2HB       CYS  54  -3.702   7.850  -3.942
  400    NH1  ARG  55           NH2      ARG  55  -9.202  14.240   2.068
  401    NH2  ARG  55           NH1      ARG  55  -9.947  12.995   3.875
  402    H    ARG  55           H        ARG  55  -6.359   9.262  -2.026
  403    HA   ARG  55           HA       ARG  55  -7.225   8.189   0.565
  404   1HB   ARG  55          1HB       ARG  55  -7.984  10.770  -0.804
  405   2HB   ARG  55          2HB       ARG  55  -8.873  10.089   0.570
  406   1HG   ARG  55          1HG       ARG  55  -6.836  10.159   1.940
  407   2HG   ARG  55          2HG       ARG  55  -5.919  10.797   0.564
  408   1HD   ARG  55          1HD       ARG  55  -6.423  12.752   1.720
  409   2HD   ARG  55          2HD       ARG  55  -7.776  12.670   0.578
  410    HE   ARG  55           HE       ARG  55  -8.248  11.389   3.126
  411   1HH1  ARG  55          1HH2      ARG  55  -8.619  14.333   1.323
  412   2HH1  ARG  55          2HH2      ARG  55  -9.827  14.927   2.270
  413   1HH2  ARG  55          1HH1      ARG  55  -9.899  12.213   4.412
  414   2HH2  ARG  55          2HH1      ARG  55 -10.574  13.677   4.084
  415    H    THR  56           H        THR  56  -7.369   7.113  -2.238
  416    HA   THR  56           HA       THR  56 -10.257   6.970  -2.650
  417    HB   THR  56           HB       THR  56  -9.267   5.757  -4.824
  418    HG1  THR  56           HG1      THR  56  -7.188   6.863  -5.317
  419   1HG2  THR  56          3HG2      THR  56 -10.523   8.016  -4.765
  420   2HG2  THR  56          1HG2      THR  56  -8.984   8.785  -4.341
  421   3HG2  THR  56          2HG2      THR  56  -9.177   8.001  -5.918
  422    H    ASP  57           H        ASP  57 -11.298   5.006  -2.722
  423    HA   ASP  57           HA       ASP  57 -10.493   3.002  -0.940
  424   1HB   ASP  57          1HB       ASP  57 -12.698   3.348  -2.906
  425   2HB   ASP  57          2HB       ASP  57 -12.306   1.687  -2.427
  426    NH1  ARG  58           NH2      ARG  58 -12.500  -5.007  -4.266
  427    NH2  ARG  58           NH1      ARG  58 -14.146  -3.375  -4.223
  428    H    ARG  58           H        ARG  58  -9.495   1.096  -1.277
  429    HA   ARG  58           HA       ARG  58  -7.996  -0.369  -2.206
  430   1HB   ARG  58          1HB       ARG  58 -10.309  -0.192  -4.095
  431   2HB   ARG  58          2HB       ARG  58  -8.852  -1.040  -4.641
  432   1HG   ARG  58          1HG       ARG  58  -8.958  -2.388  -2.502
  433   2HG   ARG  58          2HG       ARG  58 -10.543  -1.655  -2.201
  434   1HD   ARG  58          1HD       ARG  58 -10.053  -2.946  -4.862
  435   2HD   ARG  58          2HD       ARG  58 -10.326  -3.990  -3.457
  436    HE   ARG  58           HE       ARG  58 -12.249  -1.852  -3.892
  437   1HH1  ARG  58          1HH2      ARG  58 -11.582  -5.243  -4.214
  438   2HH1  ARG  58          2HH2      ARG  58 -13.157  -5.680  -4.397
  439   1HH2  ARG  58          1HH1      ARG  58 -14.399  -2.463  -4.143
  440   2HH2  ARG  58          2HH1      ARG  58 -14.809  -4.042  -4.354
  441    H    CYS  59           H        CYS  59  -7.526   2.475  -2.598
  442    HA   CYS  59           HA       CYS  59  -6.457   2.855  -5.233
  443   1HB   CYS  59          1HB       CYS  59  -5.851   4.979  -4.623
  444   2HB   CYS  59          2HB       CYS  59  -7.394   4.677  -3.805
  445    H    ASN  60           H        ASN  60  -5.416   1.677  -2.165
  446    HA   ASN  60           HA       ASN  60  -2.596   1.704  -2.900
  447   1HB   ASN  60          1HB       ASN  60  -2.194   0.899  -0.612
  448   2HB   ASN  60          2HB       ASN  60  -3.173   2.376  -0.592
  449   1HD2  ASN  60          2HD2      ASN  60  -4.610   0.040   1.797
  450   2HD2  ASN  60          1HD2      ASN  60  -3.187   0.840   1.585
  451    H    ASN  61           H        ASN  61  -2.956   0.146  -4.599
  452    HA   ASN  61           HA       ASN  61  -3.164  -2.617  -3.629
  453   1HB   ASN  61          1HB       ASN  61  -5.130  -2.061  -5.009
  454   2HB   ASN  61          2HB       ASN  61  -4.064  -1.518  -6.316
  455   1HD2  ASN  61          2HD2      ASN  61  -5.310  -5.045  -6.701
  456   2HD2  ASN  61          1HD2      ASN  61  -6.053  -3.642  -6.268
   
  Start of MODEL           7
 Raw file had 456 H/Q atoms
  Start of MODEL    7
    1   1H    LEU   1          2H        LEU   1 -14.893   2.706   4.418
    2   2H    LEU   1          3H        LEU   1 -14.050   3.329   5.477
    3   3H    LEU   1          1H        LEU   1 -14.792   4.191   4.512
    4    HA   LEU   1           HA       LEU   1 -13.470   3.470   2.633
    5   1HB   LEU   1          1HB       LEU   1 -12.765   5.349   4.393
    6   2HB   LEU   1          2HB       LEU   1 -11.452   4.199   4.696
    7    HG   LEU   1           HG       LEU   1 -11.922   4.860   1.858
    8   1HD1  LEU   1          3HD1      LEU   1 -12.428   7.004   2.756
    9   2HD1  LEU   1          1HD1      LEU   1 -10.940   6.993   3.716
   10   3HD1  LEU   1          2HD1      LEU   1 -10.852   7.023   1.948
   11   1HD2  LEU   1          3HD2      LEU   1  -9.454   4.802   3.632
   12   2HD2  LEU   1          1HD2      LEU   1 -10.029   3.468   2.619
   13   3HD2  LEU   1          2HD2      LEU   1  -9.457   4.968   1.868
   14    H    GLU   2           H        GLU   2 -12.695   1.787   1.777
   15    HA   GLU   2           HA       GLU   2 -11.599  -0.331   3.477
   16   1HB   GLU   2          1HB       GLU   2 -12.399  -1.921   1.985
   17   2HB   GLU   2          2HB       GLU   2 -13.663  -0.684   1.884
   18   1HG   GLU   2          1HG       GLU   2 -12.286   0.287  -0.074
   19   2HG   GLU   2          2HG       GLU   2 -11.437  -1.269  -0.072
   20    H    CYS   3           H        CYS   3  -9.558  -0.649   3.473
   21    HA   CYS   3           HA       CYS   3  -7.905   0.381   1.278
   22   1HB   CYS   3          1HB       CYS   3  -7.199  -0.136   4.137
   23   2HB   CYS   3          2HB       CYS   3  -6.033   0.254   2.861
   24    H    HIS   4           H        HIS   4  -6.149  -0.969   0.611
   25    HA   HIS   4           HA       HIS   4  -6.854  -3.677   0.189
   26   1HB   HIS   4          1HB       HIS   4  -4.890  -1.855  -0.822
   27   2HB   HIS   4          2HB       HIS   4  -4.216  -3.467  -0.522
   28    HD2  HIS   4           HD2      HIS   4  -5.700  -1.747  -3.403
   29    HE1  HIS   4           HE1      HIS   4  -7.158  -5.718  -3.779
   30    H    ASN   5           H        ASN   5  -5.445  -5.476   0.773
   31    HA   ASN   5           HA       ASN   5  -4.060  -5.152   3.340
   32   1HB   ASN   5          1HB       ASN   5  -6.402  -6.780   2.722
   33   2HB   ASN   5          2HB       ASN   5  -5.050  -7.770   3.298
   34   1HD2  ASN   5          2HD2      ASN   5  -6.676  -7.022   6.333
   35   2HD2  ASN   5          1HD2      ASN   5  -6.720  -8.032   5.036
   36    H    GLN   6           H        GLN   6  -4.577  -7.158   0.487
   37    HA   GLN   6           HA       GLN   6  -2.525  -8.979   0.738
   38   1HB   GLN   6          1HB       GLN   6  -2.482  -8.861  -1.855
   39   2HB   GLN   6          2HB       GLN   6  -3.972  -9.397  -1.060
   40   1HG   GLN   6          1HG       GLN   6  -5.133  -7.541  -1.692
   41   2HG   GLN   6          2HG       GLN   6  -3.733  -6.473  -1.500
   42   1HE2  GLN   6          2HE2      GLN   6  -3.919  -6.179  -4.938
   43   2HE2  GLN   6          1HE2      GLN   6  -4.278  -5.506  -3.480
   44    H    GLN   7           H        GLN   7  -0.451  -9.078  -0.088
   45    HA   GLN   7           HA       GLN   7   0.882  -6.554  -0.688
   46   1HB   GLN   7          1HB       GLN   7   2.590  -6.840   0.911
   47   2HB   GLN   7          2HB       GLN   7   1.034  -6.942   1.751
   48   1HG   GLN   7          1HG       GLN   7   1.698  -8.907   2.604
   49   2HG   GLN   7          2HG       GLN   7   1.643  -9.578   0.964
   50   1HE2  GLN   7          2HE2      GLN   7   4.952 -10.133   2.498
   51   2HE2  GLN   7          1HE2      GLN   7   3.395 -10.463   2.918
   52    H    SER   8           H        SER   8   3.000  -6.876  -1.602
   53    HA   SER   8           HA       SER   8   4.513  -7.803  -3.050
   54   1HB   SER   8          1HB       SER   8   3.606 -10.149  -1.466
   55   2HB   SER   8          2HB       SER   8   4.535 -10.421  -2.951
   56    HG   SER   8           HG       SER   8   5.928 -10.328  -1.038
   57    H    SER   9           H        SER   9   2.519 -10.613  -3.286
   58    HA   SER   9           HA       SER   9   1.204  -9.683  -5.709
   59   1HB   SER   9          1HB       SER   9   1.835 -11.862  -6.831
   60   2HB   SER   9          2HB       SER   9   3.157 -10.698  -6.637
   61    HG   SER   9           HG       SER   9   3.838 -12.907  -6.124
   62    H    GLN  10           H        GLN  10   0.173 -10.113  -3.160
   63    HA   GLN  10           HA       GLN  10  -1.109 -12.655  -2.979
   64   1HB   GLN  10          1HB       GLN  10  -0.828 -10.357  -1.295
   65   2HB   GLN  10          2HB       GLN  10  -2.520 -10.876  -1.373
   66   1HG   GLN  10          1HG       GLN  10  -2.093 -12.680  -0.108
   67   2HG   GLN  10          2HG       GLN  10  -0.758 -13.169  -1.166
   68   1HE2  GLN  10          2HE2      GLN  10   1.650 -12.437   1.094
   69   2HE2  GLN  10          1HE2      GLN  10   1.092 -13.308  -0.186
   70    HA   PRO  11           HA       PRO  11  -4.796 -11.817  -5.164
   71   1HB   PRO  11          1HB       PRO  11  -6.792 -12.728  -3.463
   72   2HB   PRO  11          2HB       PRO  11  -5.769 -13.779  -4.457
   73   1HG   PRO  11          1HG       PRO  11  -5.712 -13.325  -1.547
   74   2HG   PRO  11          2HG       PRO  11  -5.017 -14.655  -2.490
   75   1HD   PRO  11          2HD       PRO  11  -3.634 -12.427  -1.347
   76   2HD   PRO  11          1HD       PRO  11  -2.960 -13.692  -2.389
   77    HA   PRO  12           HA       PRO  12  -6.752  -8.122  -4.070
   78   1HB   PRO  12          1HB       PRO  12  -9.317  -8.432  -5.089
   79   2HB   PRO  12          2HB       PRO  12  -7.893  -8.045  -6.069
   80   1HG   PRO  12          1HG       PRO  12  -9.391 -10.572  -5.869
   81   2HG   PRO  12          2HG       PRO  12  -8.261 -10.032  -7.123
   82   1HD   PRO  12          2HD       PRO  12  -7.761 -11.911  -5.026
   83   2HD   PRO  12          1HD       PRO  12  -6.600 -11.284  -6.209
   84    H    THR  13           H        THR  13  -6.917  -7.847  -1.988
   85    HA   THR  13           HA       THR  13  -9.413  -8.575  -0.660
   86    HB   THR  13           HB       THR  13  -8.071  -9.285   1.336
   87    HG1  THR  13           HG1      THR  13  -5.696  -9.805   0.727
   88   1HG2  THR  13          1HG2      THR  13  -7.457 -10.879  -1.176
   89   2HG2  THR  13          2HG2      THR  13  -7.354 -11.481   0.488
   90   3HG2  THR  13          3HG2      THR  13  -8.924 -11.024  -0.193
   91    H    THR  14           H        THR  14 -10.203  -7.133   0.656
   92    HA   THR  14           HA       THR  14  -8.605  -4.803   1.414
   93    HB   THR  14           HB       THR  14 -11.420  -4.342   0.464
   94    HG1  THR  14           HG1      THR  14 -10.592  -4.314  -1.793
   95   1HG2  THR  14          3HG2      THR  14  -9.802  -2.445   1.144
   96   2HG2  THR  14          1HG2      THR  14  -8.738  -2.970  -0.172
   97   3HG2  THR  14          2HG2      THR  14 -10.346  -2.321  -0.537
   98    H    LYS  15           H        LYS  15  -9.721  -3.461   3.006
   99    HA   LYS  15           HA       LYS  15 -11.720  -4.667   4.662
  100   1HB   LYS  15          1HB       LYS  15  -9.238  -5.627   5.158
  101   2HB   LYS  15          2HB       LYS  15  -9.202  -4.169   6.165
  102   1HG   LYS  15          1HG       LYS  15 -11.673  -5.193   6.769
  103   2HG   LYS  15          2HG       LYS  15 -10.730  -6.671   6.509
  104   1HD   LYS  15          1HD       LYS  15  -8.993  -5.732   8.082
  105   2HD   LYS  15          2HD       LYS  15 -10.125  -4.418   8.448
  106   1HE   LYS  15          1HE       LYS  15 -11.796  -6.411   8.921
  107   2HE   LYS  15          2HE       LYS  15 -10.300  -7.335   9.140
  108   1HZ   LYS  15          1HZ       LYS  15 -10.953  -4.908  10.640
  109   2HZ   LYS  15          2HZ       LYS  15 -11.003  -6.282  11.217
  110   3HZ   LYS  15          3HZ       LYS  15  -9.695  -5.685  10.825
  111    H    THR  16           H        THR  16 -12.361  -3.334   6.397
  112    HA   THR  16           HA       THR  16 -12.317  -0.557   5.617
  113    HB   THR  16           HB       THR  16 -13.983  -2.213   7.487
  114    HG1  THR  16           HG1      THR  16 -15.608  -1.353   5.937
  115   1HG2  THR  16          1HG2      THR  16 -14.145   0.815   6.953
  116   2HG2  THR  16          2HG2      THR  16 -15.282  -0.124   7.935
  117   3HG2  THR  16          3HG2      THR  16 -13.624   0.136   8.504
  118    H    CYS  17           H        CYS  17 -11.201   0.979   6.605
  119    HA   CYS  17           HA       CYS  17  -9.541   0.291   8.901
  120   1HB   CYS  17          1HB       CYS  17  -9.367   2.451   6.810
  121   2HB   CYS  17          2HB       CYS  17  -8.473   2.566   8.337
  122    H    SER  18           H        SER  18  -9.460   1.634  10.695
  123    HA   SER  18           HA       SER  18 -11.876   3.246  11.132
  124   1HB   SER  18          1HB       SER  18 -11.619   2.651  13.543
  125   2HB   SER  18          2HB       SER  18 -12.098   1.325  12.469
  126    HG   SER  18           HG       SER  18 -10.474   0.641  14.050
  127    H    GLY  19           H        GLY  19 -11.609   5.230  11.968
  128   1HA   GLY  19          1HA       GLY  19 -10.638   7.082  12.947
  129   2HA   GLY  19          2HA       GLY  19  -9.187   6.106  13.231
  130    H    GLU  20           H        GLU  20  -8.525   5.282  10.754
  131    HA   GLU  20           HA       GLU  20  -7.557   7.711   9.518
  132   1HB   GLU  20          1HB       GLU  20  -6.443   5.185   9.900
  133   2HB   GLU  20          2HB       GLU  20  -6.842   5.217   8.174
  134   1HG   GLU  20          1HG       GLU  20  -5.532   7.645   9.303
  135   2HG   GLU  20          2HG       GLU  20  -4.531   6.192   9.149
  136    H    THR  21           H        THR  21  -7.733   8.145   7.319
  137    HA   THR  21           HA       THR  21  -9.916   6.851   5.880
  138    HB   THR  21           HB       THR  21 -10.898   8.718   7.131
  139    HG1  THR  21           HG1      THR  21 -11.848   9.691   5.148
  140   1HG2  THR  21          3HG2      THR  21  -8.861  10.303   7.006
  141   2HG2  THR  21          1HG2      THR  21  -9.139  10.417   5.260
  142   3HG2  THR  21          2HG2      THR  21 -10.350  11.041   6.393
  143    H    ASN  22           H        ASN  22  -7.150   6.607   5.485
  144    HA   ASN  22           HA       ASN  22  -6.928   7.561   2.759
  145   1HB   ASN  22          1HB       ASN  22  -4.747   8.039   4.816
  146   2HB   ASN  22          2HB       ASN  22  -4.637   8.380   3.080
  147   1HD2  ASN  22          2HD2      ASN  22  -7.029  10.634   5.530
  148   2HD2  ASN  22          1HD2      ASN  22  -6.682   9.064   5.880
  149    H    CYS  23           H        CYS  23  -5.477   6.300   1.549
  150    HA   CYS  23           HA       CYS  23  -4.252   3.982   2.825
  151   1HB   CYS  23          1HB       CYS  23  -5.696   3.650   0.215
  152   2HB   CYS  23          2HB       CYS  23  -5.189   2.417   1.383
  153    OH   TYR  24           OH       TYR  24   2.393   1.732   5.211
  154    H    TYR  24           H        TYR  24  -2.404   3.311   1.895
  155    HA   TYR  24           HA       TYR  24  -1.428   4.696  -0.481
  156   1HB   TYR  24          1HB       TYR  24   0.552   5.385   0.689
  157   2HB   TYR  24          2HB       TYR  24  -0.759   5.712   1.835
  158    HD1  TYR  24           HD1      TYR  24   2.049   3.449   1.037
  159    HD2  TYR  24           HD2      TYR  24  -0.922   4.524   3.908
  160    HE1  TYR  24           HE1      TYR  24   3.208   2.016   2.783
  161    HE2  TYR  24           HE2      TYR  24   0.246   3.088   5.643
  162    HH   TYR  24           HH       TYR  24   1.847   1.786   6.148
  163    H    LYS  25           H        LYS  25   0.376   3.653  -1.466
  164    HA   LYS  25           HA       LYS  25   0.757   0.839  -0.737
  165   1HB   LYS  25          1HB       LYS  25   1.053   0.584  -3.334
  166   2HB   LYS  25          2HB       LYS  25  -0.572   0.587  -2.630
  167   1HG   LYS  25          1HG       LYS  25  -0.637   3.086  -3.080
  168   2HG   LYS  25          2HG       LYS  25   0.854   2.875  -4.016
  169   1HD   LYS  25          1HD       LYS  25  -1.044   0.888  -4.847
  170   2HD   LYS  25          2HD       LYS  25  -1.834   2.474  -4.870
  171   1HE   LYS  25          1HE       LYS  25   0.742   1.696  -6.273
  172   2HE   LYS  25          2HE       LYS  25  -0.809   2.093  -7.032
  173   1HZ   LYS  25          3HZ       LYS  25  -0.503   4.341  -6.152
  174   2HZ   LYS  25          1HZ       LYS  25   0.803   4.007  -5.512
  175   3HZ   LYS  25          2HZ       LYS  25   0.680   4.016  -6.999
  176    H    LYS  26           H        LYS  26   2.722  -0.054  -1.131
  177    HA   LYS  26           HA       LYS  26   4.918   1.715  -1.866
  178   1HB   LYS  26          1HB       LYS  26   6.172   0.849   0.171
  179   2HB   LYS  26          2HB       LYS  26   5.022   2.187   0.337
  180   1HG   LYS  26          1HG       LYS  26   3.361   0.773   1.290
  181   2HG   LYS  26          2HG       LYS  26   4.235  -0.696   0.816
  182   1HD   LYS  26          1HD       LYS  26   5.443   1.323   2.713
  183   2HD   LYS  26          2HD       LYS  26   4.371   0.035   3.289
  184   1HE   LYS  26          1HE       LYS  26   5.865  -1.666   2.630
  185   2HE   LYS  26          2HE       LYS  26   6.758  -0.586   1.547
  186   1HZ   LYS  26          1HZ       LYS  26   6.821  -0.386   4.467
  187   2HZ   LYS  26          2HZ       LYS  26   7.945  -0.918   3.644
  188   3HZ   LYS  26          3HZ       LYS  26   7.573   0.523   3.555
  189    CH2  TRP  27           CH2      TRP  27   4.141   3.110  -6.115
  190    H    TRP  27           H        TRP  27   6.539   0.646  -2.859
  191    HA   TRP  27           HA       TRP  27   6.819  -2.220  -2.732
  192   1HB   TRP  27          1HB       TRP  27   6.628  -2.555  -5.138
  193   2HB   TRP  27          2HB       TRP  27   5.106  -1.939  -4.472
  194    HD1  TRP  27           HD1      TRP  27   7.581  -1.218  -7.178
  195    HE1  TRP  27           HE1      TRP  27   7.016   0.991  -8.334
  196    HE3  TRP  27           HE3      TRP  27   4.167   0.509  -3.843
  197    HZ2  TRP  27           HZ2      TRP  27   5.335   3.233  -7.931
  198    HZ3  TRP  27           HZ3      TRP  27   3.112   2.719  -4.300
  199    HH2  TRP  27           HH2      TRP  27   3.647   4.065  -6.260
  200    CH2  TRP  28           CH2      TRP  28   9.306  -4.200   1.599
  201    H    TRP  28           H        TRP  28   8.767  -2.924  -3.736
  202    HA   TRP  28           HA       TRP  28  10.735  -1.032  -4.613
  203   1HB   TRP  28          1HB       TRP  28  12.217  -1.055  -2.866
  204   2HB   TRP  28          2HB       TRP  28  10.636  -0.722  -2.137
  205    HD1  TRP  28           HD1      TRP  28  13.294  -3.515  -2.317
  206    HE1  TRP  28           HE1      TRP  28  12.886  -5.150  -0.394
  207    HE3  TRP  28           HE3      TRP  28   8.916  -1.585  -0.624
  208    HZ2  TRP  28           HZ2      TRP  28  10.959  -5.616   1.627
  209    HZ3  TRP  28           HZ3      TRP  28   7.837  -2.690   1.331
  210    HH2  TRP  28           HH2      TRP  28   8.790  -4.638   2.446
  211    H    SER  29           H        SER  29  12.097  -2.096  -5.900
  212    HA   SER  29           HA       SER  29  11.867  -4.969  -6.177
  213   1HB   SER  29          1HB       SER  29  13.700  -3.311  -7.871
  214   2HB   SER  29          2HB       SER  29  12.753  -4.745  -8.303
  215    HG   SER  29           HG       SER  29  11.917  -2.786  -9.338
  216    H    ASP  30           H        ASP  30  13.356  -6.385  -5.646
  217    HA   ASP  30           HA       ASP  30  15.726  -5.450  -4.217
  218   1HB   ASP  30          1HB       ASP  30  15.861  -7.935  -3.588
  219   2HB   ASP  30          2HB       ASP  30  14.567  -6.968  -2.860
  220    H    HIS  31           H        HIS  31  17.291  -7.664  -4.440
  221    HA   HIS  31           HA       HIS  31  18.837  -7.308  -6.650
  222   1HB   HIS  31          1HB       HIS  31  18.577  -9.455  -4.689
  223   2HB   HIS  31          2HB       HIS  31  19.369  -9.865  -6.219
  224    HD2  HIS  31           HD2      HIS  31  19.891  -6.403  -4.391
  225    HE1  HIS  31           HE1      HIS  31  23.583  -8.497  -4.453
  226    NH1  ARG  32           NH2      ARG  32  18.294 -13.111 -12.887
  227    NH2  ARG  32           NH1      ARG  32  16.512 -12.215 -14.069
  228    H    ARG  32           H        ARG  32  16.703 -10.110  -6.255
  229    HA   ARG  32           HA       ARG  32  15.949  -9.930  -9.075
  230   1HB   ARG  32          1HB       ARG  32  17.631 -11.659  -9.016
  231   2HB   ARG  32          2HB       ARG  32  16.879 -12.411  -7.599
  232   1HG   ARG  32          1HG       ARG  32  15.351 -13.508  -8.850
  233   2HG   ARG  32          2HG       ARG  32  15.039 -12.092  -9.869
  234   1HD   ARG  32          1HD       ARG  32  17.688 -13.109 -10.406
  235   2HD   ARG  32          2HD       ARG  32  16.504 -14.420 -10.548
  236    HE   ARG  32           HE       ARG  32  15.305 -12.516 -11.951
  237   1HH1  ARG  32          1HH2      ARG  32  18.642 -13.466 -12.078
  238   2HH1  ARG  32          2HH2      ARG  32  18.852 -13.038 -13.653
  239   1HH2  ARG  32          1HH1      ARG  32  15.605 -11.935 -14.105
  240   2HH2  ARG  32          2HH1      ARG  32  17.063 -12.139 -14.838
  241    H    GLY  33           H        GLY  33  14.291  -8.887  -7.402
  242   1HA   GLY  33          1HA       GLY  33  11.939 -10.431  -7.603
  243   2HA   GLY  33          2HA       GLY  33  12.508 -10.372  -5.925
  244    H    THR  34           H        THR  34  10.285  -9.307  -5.887
  245    HA   THR  34           HA       THR  34  10.637  -6.466  -5.611
  246    HB   THR  34           HB       THR  34   8.735  -7.676  -7.668
  247    HG1  THR  34           HG1      THR  34   9.995  -6.170  -9.057
  248   1HG2  THR  34          3HG2      THR  34   7.678  -5.702  -6.379
  249   2HG2  THR  34          1HG2      THR  34   9.105  -4.743  -6.810
  250   3HG2  THR  34          2HG2      THR  34   8.011  -5.322  -8.077
  251    H    ILE  35           H        ILE  35   9.884  -5.974  -3.772
  252    HA   ILE  35           HA       ILE  35   7.708  -7.543  -2.602
  253    HB   ILE  35           HB       ILE  35   9.722  -5.704  -1.262
  254   1HG1  ILE  35          1HG1      ILE  35  10.647  -7.868  -2.160
  255   2HG1  ILE  35          2HG1      ILE  35  10.760  -7.698  -0.400
  256   1HG2  ILE  35          3HG2      ILE  35   7.648  -5.625  -0.098
  257   2HG2  ILE  35          1HG2      ILE  35   7.579  -7.394  -0.029
  258   3HG2  ILE  35          2HG2      ILE  35   8.854  -6.522   0.838
  259   1HD1  ILE  35          1HD1      ILE  35   8.619  -9.253  -1.895
  260   2HD1  ILE  35          2HD1      ILE  35   9.991  -9.958  -1.024
  261   3HD1  ILE  35          3HD1      ILE  35   8.732  -9.083  -0.135
  262    H    ILE  36           H        ILE  36   5.851  -6.729  -2.070
  263    HA   ILE  36           HA       ILE  36   5.392  -3.861  -2.391
  264    HB   ILE  36           HB       ILE  36   3.634  -6.048  -3.555
  265   1HG1  ILE  36          1HG1      ILE  36   4.482  -4.225  -5.540
  266   2HG1  ILE  36          2HG1      ILE  36   5.936  -4.668  -4.629
  267   1HG2  ILE  36          3HG2      ILE  36   2.304  -4.254  -2.728
  268   2HG2  ILE  36          1HG2      ILE  36   3.284  -3.073  -3.615
  269   3HG2  ILE  36          2HG2      ILE  36   2.311  -4.260  -4.500
  270   1HD1  ILE  36          1HD1      ILE  36   3.965  -6.618  -5.875
  271   2HD1  ILE  36          2HD1      ILE  36   5.567  -6.216  -6.515
  272   3HD1  ILE  36          3HD1      ILE  36   5.418  -7.060  -4.965
  273    H    GLU  37           H        GLU  37   3.733  -3.002  -1.227
  274    HA   GLU  37           HA       GLU  37   2.247  -4.567   0.653
  275   1HB   GLU  37          1HB       GLU  37   4.811  -3.691   1.444
  276   2HB   GLU  37          2HB       GLU  37   3.662  -2.580   2.210
  277   1HG   GLU  37          1HG       GLU  37   3.057  -5.508   2.308
  278   2HG   GLU  37          2HG       GLU  37   4.350  -4.892   3.350
  279    NH1  ARG  38           NH2      ARG  38   1.949  -1.452  -3.035
  280    NH2  ARG  38           NH1      ARG  38   1.294  -1.949  -5.202
  281    H    ARG  38           H        ARG  38   0.535  -3.539   1.465
  282    HA   ARG  38           HA       ARG  38   0.168  -0.703   0.883
  283   1HB   ARG  38          1HB       ARG  38  -1.699  -2.944   0.059
  284   2HB   ARG  38          2HB       ARG  38  -2.194  -1.245   0.144
  285   1HG   ARG  38          1HG       ARG  38  -1.559  -1.282  -2.053
  286   2HG   ARG  38          2HG       ARG  38   0.032  -0.962  -1.342
  287   1HD   ARG  38          1HD       ARG  38   0.652  -3.279  -1.487
  288   2HD   ARG  38          2HD       ARG  38  -1.001  -3.756  -1.912
  289    HE   ARG  38           HE       ARG  38  -0.505  -3.195  -4.087
  290   1HH1  ARG  38          1HH2      ARG  38   1.809  -1.535  -2.099
  291   2HH1  ARG  38          2HH2      ARG  38   2.681  -0.943  -3.363
  292   1HH2  ARG  38          1HH1      ARG  38   0.697  -2.378  -5.804
  293   2HH2  ARG  38          2HH1      ARG  38   2.024  -1.440  -5.536
  294    H    GLY  39           H        GLY  39  -1.559   0.248   2.077
  295   1HA   GLY  39          1HA       GLY  39  -3.091  -0.964   4.049
  296   2HA   GLY  39          2HA       GLY  39  -1.573  -0.429   4.791
  297    H    CYS  40           H        CYS  40  -3.418   0.804   5.931
  298    HA   CYS  40           HA       CYS  40  -4.337   3.187   4.559
  299   1HB   CYS  40          1HB       CYS  40  -4.938   1.984   7.206
  300   2HB   CYS  40          2HB       CYS  40  -5.295   3.687   6.874
  301    H    GLY  41           H        GLY  41  -3.999   5.264   5.759
  302   1HA   GLY  41          1HA       GLY  41  -2.732   6.732   7.093
  303   2HA   GLY  41          2HA       GLY  41  -1.509   5.459   7.247
  304    H    CYS  42           H        CYS  42  -0.044   7.220   6.698
  305    HA   CYS  42           HA       CYS  42   0.648   7.203   3.915
  306   1HB   CYS  42          1HB       CYS  42  -1.030   8.951   3.931
  307   2HB   CYS  42          2HB       CYS  42  -0.079   9.836   5.138
  308    HA   PRO  43           HA       PRO  43   4.135   7.409   6.784
  309   1HB   PRO  43          1HB       PRO  43   5.689   5.571   5.395
  310   2HB   PRO  43          2HB       PRO  43   4.587   5.177   6.725
  311   1HG   PRO  43          1HG       PRO  43   4.279   4.690   3.837
  312   2HG   PRO  43          2HG       PRO  43   3.426   3.942   5.199
  313   1HD   PRO  43          2HD       PRO  43   2.443   5.966   3.435
  314   2HD   PRO  43          1HD       PRO  43   1.637   5.302   4.867
  315    H    LYS  44           H        LYS  44   6.551   7.701   6.186
  316    HA   LYS  44           HA       LYS  44   6.689   9.829   4.225
  317   1HB   LYS  44          1HB       LYS  44   8.258   9.000   6.601
  318   2HB   LYS  44          2HB       LYS  44   9.204   9.669   5.259
  319   1HG   LYS  44          1HG       LYS  44   8.615  11.727   5.921
  320   2HG   LYS  44          2HG       LYS  44   6.928  11.332   5.545
  321   1HD   LYS  44          1HD       LYS  44   7.775  10.182   8.090
  322   2HD   LYS  44          2HD       LYS  44   7.967  11.943   8.063
  323   1HE   LYS  44          1HE       LYS  44   5.495  11.610   6.892
  324   2HE   LYS  44          2HE       LYS  44   5.515  10.312   8.099
  325   1HZ   LYS  44          1HZ       LYS  44   6.015  13.127   8.723
  326   2HZ   LYS  44          2HZ       LYS  44   4.753  12.409   9.067
  327   3HZ   LYS  44          3HZ       LYS  44   6.032  12.034   9.738
  328    H    VAL  45           H        VAL  45   7.592   9.772   2.355
  329    HA   VAL  45           HA       VAL  45   8.277   7.235   1.205
  330    HB   VAL  45           HB       VAL  45   6.925   8.754  -0.053
  331   1HG1  VAL  45          3HG1      VAL  45   7.670  10.854   0.846
  332   2HG1  VAL  45          1HG1      VAL  45   9.244  10.665   0.057
  333   3HG1  VAL  45          2HG1      VAL  45   7.780  10.854  -0.922
  334   1HG2  VAL  45          3HG2      VAL  45   9.705   8.450  -1.246
  335   2HG2  VAL  45          1HG2      VAL  45   8.425   7.227  -1.287
  336   3HG2  VAL  45          2HG2      VAL  45   8.217   8.758  -2.156
  337    H    LYS  46           H        LYS  46  10.212   6.455   1.702
  338    HA   LYS  46           HA       LYS  46  12.520   8.185   2.050
  339   1HB   LYS  46          1HB       LYS  46  12.093   5.216   2.509
  340   2HB   LYS  46          2HB       LYS  46  13.657   6.026   2.706
  341   1HG   LYS  46          1HG       LYS  46  12.224   7.657   4.239
  342   2HG   LYS  46          2HG       LYS  46  11.174   6.236   4.368
  343   1HD   LYS  46          1HD       LYS  46  12.559   5.370   5.903
  344   2HD   LYS  46          2HD       LYS  46  13.858   5.340   4.696
  345   1HE   LYS  46          1HE       LYS  46  13.288   7.978   5.948
  346   2HE   LYS  46          2HE       LYS  46  14.007   6.749   7.003
  347   1HZ   LYS  46          3HZ       LYS  46  15.783   6.570   5.349
  348   2HZ   LYS  46          1HZ       LYS  46  15.179   7.604   4.460
  349   3HZ   LYS  46          2HZ       LYS  46  15.715   7.991   5.796
  350    HA   PRO  47           HA       PRO  47  14.178   7.577  -1.853
  351   1HB   PRO  47          1HB       PRO  47  16.893   7.675  -1.285
  352   2HB   PRO  47          2HB       PRO  47  15.845   9.099  -1.403
  353   1HG   PRO  47          1HG       PRO  47  17.019   7.837   0.985
  354   2HG   PRO  47          2HG       PRO  47  16.345   9.464   0.791
  355   1HD   PRO  47          2HD       PRO  47  15.115   7.213   2.056
  356   2HD   PRO  47          1HD       PRO  47  14.398   8.806   1.759
  357    H    GLY  48           H        GLY  48  14.323   5.897  -3.070
  358   1HA   GLY  48          1HA       GLY  48  15.494   3.952  -3.856
  359   2HA   GLY  48          2HA       GLY  48  15.791   3.533  -2.161
  360    H    VAL  49           H        VAL  49  13.099   4.170  -1.334
  361    HA   VAL  49           HA       VAL  49  11.707   1.810  -2.373
  362    HB   VAL  49           HB       VAL  49  11.434   3.287   0.267
  363   1HG1  VAL  49          3HG1      VAL  49   9.262   2.547  -0.446
  364   2HG1  VAL  49          1HG1      VAL  49   9.881   0.911  -0.726
  365   3HG1  VAL  49          2HG1      VAL  49   9.839   1.573   0.917
  366   1HG2  VAL  49          3HG2      VAL  49  12.434   0.491  -0.382
  367   2HG2  VAL  49          1HG2      VAL  49  13.443   1.857   0.117
  368   3HG2  VAL  49          2HG2      VAL  49  12.257   1.175   1.242
  369    H    ASN  50           H        ASN  50   9.798   1.933  -3.267
  370    HA   ASN  50           HA       ASN  50   8.846   4.541  -4.067
  371   1HB   ASN  50          1HB       ASN  50   7.854   1.776  -4.829
  372   2HB   ASN  50          2HB       ASN  50   7.319   3.305  -5.547
  373   1HD2  ASN  50          2HD2      ASN  50  10.055   1.472  -7.427
  374   2HD2  ASN  50          1HD2      ASN  50   8.717   0.921  -6.644
  375    H    LEU  51           H        LEU  51   7.058   5.449  -3.252
  376    HA   LEU  51           HA       LEU  51   4.984   3.953  -1.929
  377   1HB   LEU  51          1HB       LEU  51   6.214   4.161   0.014
  378   2HB   LEU  51          2HB       LEU  51   6.933   5.703  -0.483
  379    HG   LEU  51           HG       LEU  51   4.517   6.629  -0.169
  380   1HD1  LEU  51          3HD1      LEU  51   3.365   4.553   0.020
  381   2HD1  LEU  51          1HD1      LEU  51   4.305   4.123   1.460
  382   3HD1  LEU  51          2HD1      LEU  51   3.193   5.501   1.508
  383   1HD2  LEU  51          3HD2      LEU  51   6.217   5.796   2.210
  384   2HD2  LEU  51          1HD2      LEU  51   6.452   7.254   1.233
  385   3HD2  LEU  51          2HD2      LEU  51   4.987   7.071   2.212
  386    H    ASN  52           H        ASN  52   3.081   4.851  -2.038
  387    HA   ASN  52           HA       ASN  52   2.842   7.598  -2.993
  388   1HB   ASN  52          1HB       ASN  52   2.733   6.044  -4.959
  389   2HB   ASN  52          2HB       ASN  52   1.328   5.266  -4.209
  390   1HD2  ASN  52          2HD2      ASN  52   0.805   8.310  -6.580
  391   2HD2  ASN  52          1HD2      ASN  52   2.072   7.260  -6.550
  392    H    CYS  53           H        CYS  53   1.125   8.622  -2.115
  393    HA   CYS  53           HA       CYS  53  -0.696   7.094  -0.400
  394   1HB   CYS  53          1HB       CYS  53   0.328   9.924  -0.136
  395   2HB   CYS  53          2HB       CYS  53  -1.031   9.283   0.802
  396    H    CYS  54           H        CYS  54  -2.841   7.487  -0.520
  397    HA   CYS  54           HA       CYS  54  -3.933   9.454  -2.305
  398   1HB   CYS  54          1HB       CYS  54  -5.311   7.484  -3.384
  399   2HB   CYS  54          2HB       CYS  54  -3.750   7.991  -4.051
  400    NH1  ARG  55           NH2      ARG  55  -5.444  14.909   1.380
  401    NH2  ARG  55           NH1      ARG  55  -6.140  14.524   3.558
  402    H    ARG  55           H        ARG  55  -6.273   9.468  -2.192
  403    HA   ARG  55           HA       ARG  55  -7.227   8.540   0.422
  404   1HB   ARG  55          1HB       ARG  55  -8.242  10.924  -1.129
  405   2HB   ARG  55          2HB       ARG  55  -8.687  10.439   0.516
  406   1HG   ARG  55          1HG       ARG  55  -6.457  10.898   1.323
  407   2HG   ARG  55          2HG       ARG  55  -5.870  11.185  -0.324
  408   1HD   ARG  55          1HD       ARG  55  -6.441  13.349  -0.160
  409   2HD   ARG  55          2HD       ARG  55  -8.127  12.892   0.140
  410    HE   ARG  55           HE       ARG  55  -7.472  12.734   2.531
  411   1HH1  ARG  55          1HH2      ARG  55  -5.479  14.681   0.458
  412   2HH1  ARG  55          2HH2      ARG  55  -4.891  15.624   1.672
  413   1HH2  ARG  55          1HH1      ARG  55  -6.661  14.032   4.181
  414   2HH2  ARG  55          2HH1      ARG  55  -5.589  15.239   3.857
  415    H    THR  56           H        THR  56  -7.309   7.320  -2.349
  416    HA   THR  56           HA       THR  56 -10.186   7.141  -2.803
  417    HB   THR  56           HB       THR  56  -9.132   5.778  -4.865
  418    HG1  THR  56           HG1      THR  56  -7.060   6.882  -5.383
  419   1HG2  THR  56          1HG2      THR  56  -8.912   8.837  -4.587
  420   2HG2  THR  56          2HG2      THR  56  -9.051   7.943  -6.111
  421   3HG2  THR  56          3HG2      THR  56 -10.426   8.012  -4.996
  422    H    ASP  57           H        ASP  57 -11.243   5.193  -2.735
  423    HA   ASP  57           HA       ASP  57 -10.461   3.297  -0.828
  424   1HB   ASP  57          1HB       ASP  57 -12.761   3.803  -2.455
  425   2HB   ASP  57          2HB       ASP  57 -12.305   2.100  -2.636
  426    NH1  ARG  58           NH2      ARG  58 -12.013  -3.806  -4.391
  427    NH2  ARG  58           NH1      ARG  58 -11.210  -5.617  -3.188
  428    H    ARG  58           H        ARG  58  -9.390   1.431  -1.036
  429    HA   ARG  58           HA       ARG  58  -7.894  -0.086  -1.882
  430   1HB   ARG  58          1HB       ARG  58 -10.195  -0.890  -2.705
  431   2HB   ARG  58          2HB       ARG  58  -9.753  -0.175  -4.265
  432   1HG   ARG  58          1HG       ARG  58  -7.637  -1.573  -4.179
  433   2HG   ARG  58          2HG       ARG  58  -8.340  -2.408  -2.783
  434   1HD   ARG  58          1HD       ARG  58 -10.249  -2.269  -4.967
  435   2HD   ARG  58          2HD       ARG  58  -8.735  -3.022  -5.501
  436    HE   ARG  58           HE       ARG  58  -9.031  -4.538  -3.535
  437   1HH1  ARG  58          1HH2      ARG  58 -11.846  -2.995  -4.857
  438   2HH1  ARG  58          2HH2      ARG  58 -12.901  -4.136  -4.315
  439   1HH2  ARG  58          1HH1      ARG  58 -10.483  -6.093  -2.802
  440   2HH2  ARG  58          2HH1      ARG  58 -12.095  -5.954  -3.109
  441    H    CYS  59           H        CYS  59  -7.464   2.697  -2.531
  442    HA   CYS  59           HA       CYS  59  -6.597   2.968  -5.226
  443   1HB   CYS  59          1HB       CYS  59  -5.772   5.049  -4.693
  444   2HB   CYS  59          2HB       CYS  59  -7.265   4.854  -3.759
  445    H    ASN  60           H        ASN  60  -5.336   1.638  -2.333
  446    HA   ASN  60           HA       ASN  60  -2.579   1.612  -3.245
  447   1HB   ASN  60          1HB       ASN  60  -2.249   0.295  -1.073
  448   2HB   ASN  60          2HB       ASN  60  -2.747   1.987  -0.900
  449   1HD2  ASN  60          2HD2      ASN  60  -4.803   0.284   1.454
  450   2HD2  ASN  60          1HD2      ASN  60  -3.254   0.795   1.239
  451    H    ASN  61           H        ASN  61  -2.898   0.269  -5.061
  452    HA   ASN  61           HA       ASN  61  -2.861  -2.567  -4.464
  453   1HB   ASN  61          1HB       ASN  61  -4.540  -3.173  -6.046
  454   2HB   ASN  61          2HB       ASN  61  -5.264  -1.906  -5.039
  455   1HD2  ASN  61          2HD2      ASN  61  -5.608  -1.493  -8.814
  456   2HD2  ASN  61          1HD2      ASN  61  -5.643  -2.846  -7.877
   
  Start of MODEL           8
 Raw file had 456 H/Q atoms
  Start of MODEL    8
    1   1H    LEU   1          1H        LEU   1 -13.912   3.261   5.963
    2   2H    LEU   1          2H        LEU   1 -14.618   4.314   5.176
    3   3H    LEU   1          3H        LEU   1 -14.905   2.873   4.920
    4    HA   LEU   1           HA       LEU   1 -13.536   3.694   3.111
    5   1HB   LEU   1          1HB       LEU   1 -12.607   5.347   4.879
    6   2HB   LEU   1          2HB       LEU   1 -11.329   4.124   4.997
    7    HG   LEU   1           HG       LEU   1 -11.980   4.872   2.242
    8   1HD1  LEU   1          3HD1      LEU   1 -12.339   7.073   3.303
    9   2HD1  LEU   1          1HD1      LEU   1 -10.769   6.939   4.112
   10   3HD1  LEU   1          2HD1      LEU   1 -10.847   7.062   2.347
   11   1HD2  LEU   1          3HD2      LEU   1  -9.413   4.690   3.775
   12   2HD2  LEU   1          1HD2      LEU   1 -10.149   3.441   2.756
   13   3HD2  LEU   1          2HD2      LEU   1  -9.575   4.951   2.029
   14    H    GLU   2           H        GLU   2 -12.947   1.912   2.109
   15    HA   GLU   2           HA       GLU   2 -11.803  -0.323   3.618
   16   1HB   GLU   2          1HB       GLU   2 -14.032  -0.401   2.092
   17   2HB   GLU   2          2HB       GLU   2 -12.815  -0.756   0.855
   18   1HG   GLU   2          1HG       GLU   2 -12.006  -2.656   2.087
   19   2HG   GLU   2          2HG       GLU   2 -12.984  -2.227   3.500
   20    H    CYS   3           H        CYS   3  -9.741  -0.450   3.501
   21    HA   CYS   3           HA       CYS   3  -8.330   0.378   1.066
   22   1HB   CYS   3          1HB       CYS   3  -7.349   0.166   3.884
   23   2HB   CYS   3          2HB       CYS   3  -6.313   0.434   2.472
   24    H    HIS   4           H        HIS   4  -6.723  -1.020   0.268
   25    HA   HIS   4           HA       HIS   4  -7.356  -3.790   0.376
   26   1HB   HIS   4          1HB       HIS   4  -5.410  -2.084  -1.104
   27   2HB   HIS   4          2HB       HIS   4  -5.029  -3.806  -0.938
   28    HD2  HIS   4           HD2      HIS   4  -6.611  -1.707  -3.501
   29    HE1  HIS   4           HE1      HIS   4  -8.861  -5.305  -3.659
   30    H    ASN   5           H        ASN   5  -5.933  -5.471   0.933
   31    HA   ASN   5           HA       ASN   5  -4.160  -4.807   3.179
   32   1HB   ASN   5          1HB       ASN   5  -4.838  -7.222   3.934
   33   2HB   ASN   5          2HB       ASN   5  -5.927  -5.867   4.280
   34   1HD2  ASN   5          2HD2      ASN   5  -8.405  -7.911   3.039
   35   2HD2  ASN   5          1HD2      ASN   5  -7.680  -7.264   4.368
   36    H    GLN   6           H        GLN   6  -4.914  -6.973   0.527
   37    HA   GLN   6           HA       GLN   6  -3.129  -8.934   0.496
   38   1HB   GLN   6          1HB       GLN   6  -2.746  -8.130  -2.043
   39   2HB   GLN   6          2HB       GLN   6  -4.150  -9.043  -1.464
   40   1HG   GLN   6          1HG       GLN   6  -5.529  -7.164  -1.444
   41   2HG   GLN   6          2HG       GLN   6  -4.165  -6.039  -1.330
   42   1HE2  GLN   6          2HE2      GLN   6  -5.809  -6.211  -4.724
   43   2HE2  GLN   6          1HE2      GLN   6  -6.429  -6.183  -3.200
   44    H    GLN   7           H        GLN   7  -0.971  -9.224   0.127
   45    HA   GLN   7           HA       GLN   7   0.742  -6.840   0.110
   46   1HB   GLN   7          1HB       GLN   7   0.832  -7.769   2.299
   47   2HB   GLN   7          2HB       GLN   7   1.161  -9.386   1.652
   48   1HG   GLN   7          1HG       GLN   7   3.051  -7.443   0.607
   49   2HG   GLN   7          2HG       GLN   7   3.051  -7.442   2.380
   50   1HE2  GLN   7          2HE2      GLN   7   5.278 -10.020   2.335
   51   2HE2  GLN   7          1HE2      GLN   7   4.905  -8.475   2.762
   52    H    SER   8           H        SER   8   2.552  -6.933  -1.148
   53    HA   SER   8           HA       SER   8   3.955  -7.527  -2.858
   54   1HB   SER   8          1HB       SER   8   3.272 -10.121  -1.608
   55   2HB   SER   8          2HB       SER   8   3.975 -10.150  -3.234
   56    HG   SER   8           HG       SER   8   5.629 -10.324  -1.550
   57    H    SER   9           H        SER   9   2.078 -10.336  -3.493
   58    HA   SER   9           HA       SER   9   0.576  -9.015  -5.622
   59   1HB   SER   9          1HB       SER   9   1.076 -11.012  -7.086
   60   2HB   SER   9          2HB       SER   9   2.448  -9.927  -6.799
   61    HG   SER   9           HG       SER   9   3.075 -12.206  -6.660
   62    H    GLN  10           H        GLN  10  -0.210  -9.902  -3.035
   63    HA   GLN  10           HA       GLN  10  -1.515 -12.381  -3.034
   64   1HB   GLN  10          1HB       GLN  10  -1.296 -10.162  -1.259
   65   2HB   GLN  10          2HB       GLN  10  -2.989 -10.671  -1.383
   66   1HG   GLN  10          1HG       GLN  10  -2.575 -12.484  -0.135
   67   2HG   GLN  10          2HG       GLN  10  -1.304 -13.001  -1.255
   68   1HE2  GLN  10          2HE2      GLN  10  -0.372 -11.934   2.377
   69   2HE2  GLN  10          1HE2      GLN  10  -1.825 -12.482   1.833
   70    HA   PRO  11           HA       PRO  11  -5.238 -11.639  -5.140
   71   1HB   PRO  11          1HB       PRO  11  -7.245 -12.460  -3.400
   72   2HB   PRO  11          2HB       PRO  11  -6.233 -13.541  -4.374
   73   1HG   PRO  11          1HG       PRO  11  -6.148 -13.008  -1.479
   74   2HG   PRO  11          2HG       PRO  11  -5.464 -14.364  -2.392
   75   1HD   PRO  11          2HD       PRO  11  -4.067 -12.110  -1.323
   76   2HD   PRO  11          1HD       PRO  11  -3.406 -13.406  -2.335
   77    HA   PRO  12           HA       PRO  12  -7.214  -7.881  -4.135
   78   1HB   PRO  12          1HB       PRO  12  -9.799  -8.226  -5.088
   79   2HB   PRO  12          2HB       PRO  12  -8.396  -7.871  -6.109
   80   1HG   PRO  12          1HG       PRO  12  -9.887 -10.392  -5.794
   81   2HG   PRO  12          2HG       PRO  12  -8.786  -9.894  -7.089
   82   1HD   PRO  12          2HD       PRO  12  -8.236 -11.701  -4.942
   83   2HD   PRO  12          1HD       PRO  12  -7.102 -11.112  -6.169
   84    H    THR  13           H        THR  13  -7.043  -8.163  -1.908
   85    HA   THR  13           HA       THR  13  -9.556  -8.795  -0.531
   86    HB   THR  13           HB       THR  13  -8.008  -9.171   1.446
   87    HG1  THR  13           HG1      THR  13  -5.751  -9.821   0.569
   88   1HG2  THR  13          3HG2      THR  13  -9.097 -11.027   0.242
   89   2HG2  THR  13          1HG2      THR  13  -7.782 -11.027  -0.946
   90   3HG2  THR  13          2HG2      THR  13  -7.453 -11.461   0.740
   91    H    THR  14           H        THR  14 -10.373  -7.330   0.866
   92    HA   THR  14           HA       THR  14  -8.938  -4.824   1.359
   93    HB   THR  14           HB       THR  14 -11.862  -4.645   0.912
   94    HG1  THR  14           HG1      THR  14 -11.366  -4.654  -1.544
   95   1HG2  THR  14          1HG2      THR  14  -9.523  -3.039  -0.173
   96   2HG2  THR  14          2HG2      THR  14 -11.237  -2.619  -0.338
   97   3HG2  THR  14          3HG2      THR  14 -10.477  -2.634   1.263
   98    H    LYS  15           H        LYS  15 -10.001  -3.537   3.052
   99    HA   LYS  15           HA       LYS  15 -11.584  -4.878   5.019
  100   1HB   LYS  15          1HB       LYS  15 -10.034  -5.120   6.750
  101   2HB   LYS  15          2HB       LYS  15  -9.431  -5.980   5.324
  102   1HG   LYS  15          1HG       LYS  15  -7.626  -4.623   5.112
  103   2HG   LYS  15          2HG       LYS  15  -8.545  -3.169   5.539
  104   1HD   LYS  15          1HD       LYS  15  -8.466  -4.663   7.902
  105   2HD   LYS  15          2HD       LYS  15  -6.846  -4.849   7.209
  106   1HE   LYS  15          1HE       LYS  15  -7.127  -2.213   6.836
  107   2HE   LYS  15          2HE       LYS  15  -8.223  -2.395   8.215
  108   1HZ   LYS  15          3HZ       LYS  15  -6.344  -3.393   9.398
  109   2HZ   LYS  15          1HZ       LYS  15  -5.421  -3.239   8.236
  110   3HZ   LYS  15          2HZ       LYS  15  -5.932  -2.032   8.947
  111    H    THR  16           H        THR  16 -12.391  -3.436   6.492
  112    HA   THR  16           HA       THR  16 -12.279  -0.661   5.817
  113    HB   THR  16           HB       THR  16 -13.878  -2.332   7.730
  114    HG1  THR  16           HG1      THR  16 -15.560  -1.410   6.283
  115   1HG2  THR  16          3HG2      THR  16 -13.438  -0.019   8.795
  116   2HG2  THR  16          1HG2      THR  16 -14.022   0.711   7.291
  117   3HG2  THR  16          2HG2      THR  16 -15.124  -0.242   8.298
  118    H    CYS  17           H        CYS  17 -11.024   0.815   6.701
  119    HA   CYS  17           HA       CYS  17  -9.258   0.110   8.896
  120   1HB   CYS  17          1HB       CYS  17  -9.272   2.584   7.157
  121   2HB   CYS  17          2HB       CYS  17  -8.043   2.153   8.358
  122    H    SER  18           H        SER  18  -8.879   1.862  10.509
  123    HA   SER  18           HA       SER  18 -11.382   3.189  11.271
  124   1HB   SER  18          1HB       SER  18 -10.871   2.664  13.629
  125   2HB   SER  18          2HB       SER  18 -11.265   1.249  12.637
  126    HG   SER  18           HG       SER  18  -9.451   0.828  14.100
  127    H    GLY  19           H        GLY  19 -11.152   5.208  12.020
  128   1HA   GLY  19          1HA       GLY  19 -10.230   7.189  12.731
  129   2HA   GLY  19          2HA       GLY  19  -8.738   6.293  13.067
  130    H    GLU  20           H        GLU  20  -8.046   5.306  10.680
  131    HA   GLU  20           HA       GLU  20  -7.257   7.668   9.200
  132   1HB   GLU  20          1HB       GLU  20  -5.588   5.887   9.838
  133   2HB   GLU  20          2HB       GLU  20  -6.424   4.793   8.721
  134   1HG   GLU  20          1HG       GLU  20  -4.368   6.024   7.809
  135   2HG   GLU  20          2HG       GLU  20  -5.845   6.103   6.833
  136    H    THR  21           H        THR  21  -7.796   8.147   7.194
  137    HA   THR  21           HA       THR  21  -9.729   6.423   5.816
  138    HB   THR  21           HB       THR  21 -10.937   8.497   5.151
  139    HG1  THR  21           HG1      THR  21 -10.309  10.468   6.378
  140   1HG2  THR  21          3HG2      THR  21 -11.592   7.276   7.334
  141   2HG2  THR  21          1HG2      THR  21 -10.448   8.326   8.186
  142   3HG2  THR  21          2HG2      THR  21 -11.879   9.022   7.405
  143    H    ASN  22           H        ASN  22  -7.009   6.355   5.329
  144    HA   ASN  22           HA       ASN  22  -6.898   7.257   2.566
  145   1HB   ASN  22          1HB       ASN  22  -4.689   7.795   4.584
  146   2HB   ASN  22          2HB       ASN  22  -4.596   8.096   2.840
  147   1HD2  ASN  22          2HD2      ASN  22  -7.028  10.374   5.230
  148   2HD2  ASN  22          1HD2      ASN  22  -6.687   8.809   5.604
  149    H    CYS  23           H        CYS  23  -5.194   6.157   1.399
  150    HA   CYS  23           HA       CYS  23  -4.055   3.783   2.631
  151   1HB   CYS  23          1HB       CYS  23  -5.237   3.402  -0.066
  152   2HB   CYS  23          2HB       CYS  23  -5.023   2.246   1.259
  153    OH   TYR  24           OH       TYR  24   2.144   1.519   5.454
  154    H    TYR  24           H        TYR  24  -2.164   3.163   1.757
  155    HA   TYR  24           HA       TYR  24  -1.101   4.650  -0.519
  156   1HB   TYR  24          1HB       TYR  24   0.877   5.209   0.769
  157   2HB   TYR  24          2HB       TYR  24  -0.506   5.616   1.799
  158    HD1  TYR  24           HD1      TYR  24   2.271   3.248   1.274
  159    HD2  TYR  24           HD2      TYR  24  -0.935   4.417   3.840
  160    HE1  TYR  24           HE1      TYR  24   3.205   1.781   3.121
  161    HE2  TYR  24           HE2      TYR  24   0.009   2.943   5.677
  162    HH   TYR  24           HH       TYR  24   1.511   1.588   6.332
  163    H    LYS  25           H        LYS  25   0.791   3.667  -1.440
  164    HA   LYS  25           HA       LYS  25   0.923   0.763  -1.019
  165   1HB   LYS  25          1HB       LYS  25   1.430   2.178  -3.601
  166   2HB   LYS  25          2HB       LYS  25   1.361   0.434  -3.299
  167   1HG   LYS  25          1HG       LYS  25  -1.023   0.810  -2.471
  168   2HG   LYS  25          2HG       LYS  25  -0.900   2.443  -3.150
  169   1HD   LYS  25          1HD       LYS  25   0.018   0.593  -5.127
  170   2HD   LYS  25          2HD       LYS  25  -1.529  -0.001  -4.498
  171   1HE   LYS  25          1HE       LYS  25  -2.457   1.445  -5.971
  172   2HE   LYS  25          2HE       LYS  25  -2.028   2.689  -4.785
  173   1HZ   LYS  25          1HZ       LYS  25  -0.333   1.941  -7.050
  174   2HZ   LYS  25          2HZ       LYS  25  -1.119   3.207  -6.980
  175   3HZ   LYS  25          3HZ       LYS  25   0.028   2.989  -6.051
  176    H    LYS  26           H        LYS  26   2.938  -0.171  -0.971
  177    HA   LYS  26           HA       LYS  26   5.324   1.494  -1.138
  178   1HB   LYS  26          1HB       LYS  26   6.105   0.409   1.030
  179   2HB   LYS  26          2HB       LYS  26   5.033   1.819   1.070
  180   1HG   LYS  26          1HG       LYS  26   3.138   0.500   1.609
  181   2HG   LYS  26          2HG       LYS  26   3.958  -1.006   1.157
  182   1HD   LYS  26          1HD       LYS  26   4.901   0.746   3.439
  183   2HD   LYS  26          2HD       LYS  26   3.720  -0.558   3.659
  184   1HE   LYS  26          1HE       LYS  26   5.403  -2.132   2.616
  185   2HE   LYS  26          2HE       LYS  26   6.581  -0.808   2.681
  186   1HZ   LYS  26          3HZ       LYS  26   6.252  -0.821   5.093
  187   2HZ   LYS  26          1HZ       LYS  26   5.262  -1.935   5.038
  188   3HZ   LYS  26          2HZ       LYS  26   6.687  -2.187   4.682
  189    CH2  TRP  27           CH2      TRP  27   4.457   2.795  -5.598
  190    H    TRP  27           H        TRP  27   6.842   0.444  -2.212
  191    HA   TRP  27           HA       TRP  27   7.136  -2.438  -2.093
  192   1HB   TRP  27          1HB       TRP  27   7.053  -2.786  -4.449
  193   2HB   TRP  27          2HB       TRP  27   5.506  -2.187  -3.827
  194    HD1  TRP  27           HD1      TRP  27   8.042  -1.455  -6.480
  195    HE1  TRP  27           HE1      TRP  27   7.454   0.718  -7.692
  196    HE3  TRP  27           HE3      TRP  27   4.486   0.235  -3.279
  197    HZ2  TRP  27           HZ2      TRP  27   5.704   2.919  -7.379
  198    HZ3  TRP  27           HZ3      TRP  27   3.385   2.408  -3.806
  199    HH2  TRP  27           HH2      TRP  27   3.943   3.734  -5.775
  200    CH2  TRP  28           CH2      TRP  28   9.521  -4.693   2.045
  201    H    TRP  28           H        TRP  28   9.163  -3.062  -3.137
  202    HA   TRP  28           HA       TRP  28  11.097  -1.047  -3.844
  203   1HB   TRP  28          1HB       TRP  28  12.622  -1.339  -2.126
  204   2HB   TRP  28          2HB       TRP  28  11.053  -0.989  -1.379
  205    HD1  TRP  28           HD1      TRP  28  13.547  -3.907  -1.812
  206    HE1  TRP  28           HE1      TRP  28  13.036  -5.679  -0.043
  207    HE3  TRP  28           HE3      TRP  28   9.293  -1.872   0.064
  208    HZ2  TRP  28           HZ2      TRP  28  11.084  -6.203   1.939
  209    HZ3  TRP  28           HZ3      TRP  28   8.146  -3.078   1.915
  210    HH2  TRP  28           HH2      TRP  28   8.978  -5.172   2.852
  211    H    SER  29           H        SER  29  12.424  -1.928  -5.288
  212    HA   SER  29           HA       SER  29  12.199  -4.717  -5.972
  213   1HB   SER  29          1HB       SER  29  13.712  -4.128  -7.856
  214   2HB   SER  29          2HB       SER  29  12.252  -3.125  -7.802
  215    HG   SER  29           HG       SER  29  14.187  -1.849  -8.288
  216    H    ASP  30           H        ASP  30  13.609  -6.250  -5.587
  217    HA   ASP  30           HA       ASP  30  15.942  -5.624  -3.940
  218   1HB   ASP  30          1HB       ASP  30  15.884  -8.279  -3.847
  219   2HB   ASP  30          2HB       ASP  30  14.884  -7.281  -2.778
  220    H    HIS  31           H        HIS  31  17.484  -7.777  -4.384
  221    HA   HIS  31           HA       HIS  31  19.081  -7.203  -6.512
  222   1HB   HIS  31          1HB       HIS  31  18.859  -9.382  -4.657
  223   2HB   HIS  31          2HB       HIS  31  19.436  -9.895  -6.252
  224    HD2  HIS  31           HD2      HIS  31  20.962  -8.729  -3.085
  225    HE1  HIS  31           HE1      HIS  31  23.568  -7.242  -6.088
  226    NH1  ARG  32           NH2      ARG  32  19.137 -14.452 -11.604
  227    NH2  ARG  32           NH1      ARG  32  17.887 -16.351 -11.150
  228    H    ARG  32           H        ARG  32  16.834  -9.947  -6.417
  229    HA   ARG  32           HA       ARG  32  16.194  -9.521  -9.235
  230   1HB   ARG  32          1HB       ARG  32  17.841 -11.290  -9.277
  231   2HB   ARG  32          2HB       ARG  32  17.019 -12.149  -7.963
  232   1HG   ARG  32          1HG       ARG  32  15.507 -13.077  -9.363
  233   2HG   ARG  32          2HG       ARG  32  15.280 -11.569 -10.264
  234   1HD   ARG  32          1HD       ARG  32  16.450 -12.491 -11.947
  235   2HD   ARG  32          2HD       ARG  32  17.881 -12.427 -10.904
  236    HE   ARG  32           HE       ARG  32  16.098 -14.735 -10.684
  237   1HH1  ARG  32          1HH2      ARG  32  19.195 -13.506 -11.660
  238   2HH1  ARG  32          2HH2      ARG  32  19.895 -14.987 -11.808
  239   1HH2  ARG  32          1HH1      ARG  32  17.069 -16.755 -10.888
  240   2HH2  ARG  32          2HH1      ARG  32  18.642 -16.893 -11.352
  241    H    GLY  33           H        GLY  33  14.529  -8.605  -7.465
  242   1HA   GLY  33          1HA       GLY  33  12.141 -10.057  -7.882
  243   2HA   GLY  33          2HA       GLY  33  12.670 -10.178  -6.196
  244    H    THR  34           H        THR  34  10.395  -9.057  -6.302
  245    HA   THR  34           HA       THR  34  10.823  -6.274  -5.649
  246    HB   THR  34           HB       THR  34   9.021  -7.214  -7.927
  247    HG1  THR  34           HG1      THR  34  10.374  -5.583  -9.063
  248   1HG2  THR  34          1HG2      THR  34   9.367  -4.399  -6.726
  249   2HG2  THR  34          2HG2      THR  34   8.344  -4.816  -8.111
  250   3HG2  THR  34          3HG2      THR  34   7.909  -5.377  -6.488
  251    H    ILE  35           H        ILE  35   9.939  -5.897  -3.841
  252    HA   ILE  35           HA       ILE  35   7.776  -7.600  -2.865
  253    HB   ILE  35           HB       ILE  35   9.710  -5.873  -1.381
  254   1HG1  ILE  35          1HG1      ILE  35   9.220  -8.853  -1.200
  255   2HG1  ILE  35          2HG1      ILE  35  10.394  -8.160  -2.333
  256   1HG2  ILE  35          1HG2      ILE  35   7.360  -7.392  -0.312
  257   2HG2  ILE  35          2HG2      ILE  35   8.655  -6.655   0.647
  258   3HG2  ILE  35          3HG2      ILE  35   7.586  -5.635  -0.332
  259   1HD1  ILE  35          1HD1      ILE  35  10.408  -7.784   0.684
  260   2HD1  ILE  35          2HD1      ILE  35  11.489  -8.848  -0.231
  261   3HD1  ILE  35          3HD1      ILE  35  11.582  -7.093  -0.449
  262    H    ILE  36           H        ILE  36   5.802  -6.802  -2.579
  263    HA   ILE  36           HA       ILE  36   5.353  -3.910  -2.680
  264    HB   ILE  36           HB       ILE  36   3.584  -5.980  -4.018
  265   1HG1  ILE  36          1HG1      ILE  36   4.752  -4.426  -5.991
  266   2HG1  ILE  36          2HG1      ILE  36   6.073  -4.948  -4.932
  267   1HG2  ILE  36          3HG2      ILE  36   2.442  -3.896  -3.338
  268   2HG2  ILE  36          1HG2      ILE  36   3.665  -2.945  -4.195
  269   3HG2  ILE  36          2HG2      ILE  36   2.573  -4.005  -5.101
  270   1HD1  ILE  36          1HD1      ILE  36   3.973  -6.763  -6.173
  271   2HD1  ILE  36          2HD1      ILE  36   5.655  -6.607  -6.710
  272   3HD1  ILE  36          3HD1      ILE  36   5.295  -7.286  -5.114
  273    H    GLU  37           H        GLU  37   3.584  -3.141  -1.584
  274    HA   GLU  37           HA       GLU  37   2.047  -4.836   0.139
  275   1HB   GLU  37          1HB       GLU  37   4.454  -4.364   1.157
  276   2HB   GLU  37          2HB       GLU  37   3.618  -2.905   1.717
  277   1HG   GLU  37          1HG       GLU  37   2.301  -5.587   2.044
  278   2HG   GLU  37          2HG       GLU  37   3.570  -5.092   3.178
  279    NH1  ARG  38           NH2      ARG  38   1.630  -1.807  -3.309
  280    NH2  ARG  38           NH1      ARG  38   0.901  -2.352  -5.440
  281    H    ARG  38           H        ARG  38   0.416  -3.675   1.237
  282    HA   ARG  38           HA       ARG  38   0.074  -0.853   0.606
  283   1HB   ARG  38          1HB       ARG  38  -1.928  -3.039  -0.034
  284   2HB   ARG  38          2HB       ARG  38  -2.333  -1.315   0.015
  285   1HG   ARG  38          1HG       ARG  38  -1.847  -1.480  -2.217
  286   2HG   ARG  38          2HG       ARG  38  -0.206  -1.186  -1.617
  287   1HD   ARG  38          1HD       ARG  38   0.308  -3.547  -1.667
  288   2HD   ARG  38          2HD       ARG  38  -1.378  -3.955  -2.035
  289    HE   ARG  38           HE       ARG  38  -0.910  -3.495  -4.237
  290   1HH1  ARG  38          1HH2      ARG  38   1.513  -1.855  -2.368
  291   2HH1  ARG  38          2HH2      ARG  38   2.370  -1.336  -3.672
  292   1HH2  ARG  38          1HH1      ARG  38   0.276  -2.780  -6.013
  293   2HH2  ARG  38          2HH1      ARG  38   1.639  -1.883  -5.811
  294    H    GLY  39           H        GLY  39  -1.441   0.199   1.936
  295   1HA   GLY  39          1HA       GLY  39  -2.787  -1.057   4.090
  296   2HA   GLY  39          2HA       GLY  39  -1.285  -0.282   4.625
  297    H    CYS  40           H        CYS  40  -3.162   0.832   5.838
  298    HA   CYS  40           HA       CYS  40  -4.354   3.032   4.333
  299   1HB   CYS  40          1HB       CYS  40  -5.039   1.660   6.830
  300   2HB   CYS  40          2HB       CYS  40  -5.315   3.410   6.777
  301    H    GLY  41           H        GLY  41  -4.094   5.176   5.155
  302   1HA   GLY  41          1HA       GLY  41  -3.085   6.843   6.505
  303   2HA   GLY  41          2HA       GLY  41  -1.831   5.666   6.929
  304    H    CYS  42           H        CYS  42  -0.338   7.355   6.354
  305    HA   CYS  42           HA       CYS  42   0.615   7.110   3.675
  306   1HB   CYS  42          1HB       CYS  42  -1.041   8.902   3.376
  307   2HB   CYS  42          2HB       CYS  42  -0.262   9.831   4.668
  308    HA   PRO  43           HA       PRO  43   3.926   7.461   6.645
  309   1HB   PRO  43          1HB       PRO  43   5.591   5.705   5.282
  310   2HB   PRO  43          2HB       PRO  43   4.427   5.217   6.527
  311   1HG   PRO  43          1HG       PRO  43   4.306   4.848   3.607
  312   2HG   PRO  43          2HG       PRO  43   3.401   4.015   4.882
  313   1HD   PRO  43          2HD       PRO  43   2.454   6.082   3.149
  314   2HD   PRO  43          1HD       PRO  43   1.588   5.331   4.500
  315    H    LYS  44           H        LYS  44   6.369   7.747   6.151
  316    HA   LYS  44           HA       LYS  44   6.556  10.070   4.454
  317   1HB   LYS  44          1HB       LYS  44   7.474  10.263   6.613
  318   2HB   LYS  44          2HB       LYS  44   8.535   8.870   6.343
  319   1HG   LYS  44          1HG       LYS  44  10.064  10.159   5.328
  320   2HG   LYS  44          2HG       LYS  44   8.850  10.792   4.204
  321   1HD   LYS  44          1HD       LYS  44   9.052  12.775   5.234
  322   2HD   LYS  44          2HD       LYS  44   8.292  12.040   6.656
  323   1HE   LYS  44          1HE       LYS  44  11.026  11.243   6.655
  324   2HE   LYS  44          2HE       LYS  44  10.988  12.987   6.347
  325   1HZ   LYS  44          1HZ       LYS  44   9.667  11.704   8.621
  326   2HZ   LYS  44          2HZ       LYS  44  10.920  12.507   8.730
  327   3HZ   LYS  44          3HZ       LYS  44   9.636  13.172   8.362
  328    H    VAL  45           H        VAL  45   7.441  10.087   2.500
  329    HA   VAL  45           HA       VAL  45   8.205   7.649   1.198
  330    HB   VAL  45           HB       VAL  45   8.305   8.930  -0.812
  331   1HG1  VAL  45          1HG1      VAL  45   5.895   9.595   0.858
  332   2HG1  VAL  45          2HG1      VAL  45   6.001   9.686  -0.908
  333   3HG1  VAL  45          3HG1      VAL  45   6.162   8.122  -0.092
  334   1HG2  VAL  45          3HG2      VAL  45   7.823  11.351   0.961
  335   2HG2  VAL  45          1HG2      VAL  45   9.317  11.000   0.078
  336   3HG2  VAL  45          2HG2      VAL  45   7.826  11.350  -0.810
  337    H    LYS  46           H        LYS  46  10.169   6.881   1.524
  338    HA   LYS  46           HA       LYS  46  12.431   8.659   2.017
  339   1HB   LYS  46          1HB       LYS  46  12.978   7.274   3.570
  340   2HB   LYS  46          2HB       LYS  46  11.657   6.181   3.121
  341   1HG   LYS  46          1HG       LYS  46  13.095   5.154   1.398
  342   2HG   LYS  46          2HG       LYS  46  14.417   6.241   1.856
  343   1HD   LYS  46          1HD       LYS  46  13.753   5.156   4.279
  344   2HD   LYS  46          2HD       LYS  46  13.421   3.799   3.189
  345   1HE   LYS  46          1HE       LYS  46  15.949   5.183   2.603
  346   2HE   LYS  46          2HE       LYS  46  15.900   4.454   4.217
  347   1HZ   LYS  46          1HZ       LYS  46  15.361   2.983   1.745
  348   2HZ   LYS  46          2HZ       LYS  46  16.616   2.846   2.540
  349   3HZ   LYS  46          3HZ       LYS  46  15.321   2.369   3.104
  350    HA   PRO  47           HA       PRO  47  13.999   7.908  -1.966
  351   1HB   PRO  47          1HB       PRO  47  16.704   8.339  -1.500
  352   2HB   PRO  47          2HB       PRO  47  15.497   9.612  -1.752
  353   1HG   PRO  47          1HG       PRO  47  16.836   8.774   0.733
  354   2HG   PRO  47          2HG       PRO  47  15.977  10.281   0.374
  355   1HD   PRO  47          2HD       PRO  47  15.031   8.067   1.916
  356   2HD   PRO  47          1HD       PRO  47  14.129   9.523   1.457
  357    H    GLY  48           H        GLY  48  14.461   6.138  -3.068
  358   1HA   GLY  48          1HA       GLY  48  15.896   4.273  -3.596
  359   2HA   GLY  48          2HA       GLY  48  16.087   4.027  -1.852
  360    H    VAL  49           H        VAL  49  13.316   4.411  -1.243
  361    HA   VAL  49           HA       VAL  49  12.242   1.852  -2.175
  362    HB   VAL  49           HB       VAL  49  11.563   3.395   0.310
  363   1HG1  VAL  49          1HG1      VAL  49  10.625   0.701  -0.641
  364   2HG1  VAL  49          2HG1      VAL  49  10.323   1.409   0.955
  365   3HG1  VAL  49          3HG1      VAL  49   9.656   2.177  -0.495
  366   1HG2  VAL  49          3HG2      VAL  49  13.177   0.853  -0.112
  367   2HG2  VAL  49          1HG2      VAL  49  13.835   2.425   0.371
  368   3HG2  VAL  49          2HG2      VAL  49  12.740   1.552   1.456
  369    H    ASN  50           H        ASN  50  10.207   1.762  -3.020
  370    HA   ASN  50           HA       ASN  50   9.119   4.215  -4.098
  371   1HB   ASN  50          1HB       ASN  50   8.275   1.332  -4.535
  372   2HB   ASN  50          2HB       ASN  50   7.632   2.739  -5.398
  373   1HD2  ASN  50          2HD2      ASN  50  10.807   0.833  -6.722
  374   2HD2  ASN  50          1HD2      ASN  50   9.705   0.265  -5.639
  375    H    LEU  51           H        LEU  51   7.225   5.072  -3.447
  376    HA   LEU  51           HA       LEU  51   5.309   3.633  -1.844
  377   1HB   LEU  51          1HB       LEU  51   7.191   4.486  -0.356
  378   2HB   LEU  51          2HB       LEU  51   6.397   6.057  -0.561
  379    HG   LEU  51           HG       LEU  51   4.631   3.824   0.231
  380   1HD1  LEU  51          1HD1      LEU  51   6.721   4.809   2.137
  381   2HD1  LEU  51          2HD1      LEU  51   5.300   3.834   2.552
  382   3HD1  LEU  51          3HD1      LEU  51   6.548   3.172   1.483
  383   1HD2  LEU  51          3HD2      LEU  51   5.040   6.657   1.252
  384   2HD2  LEU  51          1HD2      LEU  51   3.836   6.156   0.053
  385   3HD2  LEU  51          2HD2      LEU  51   3.723   5.569   1.720
  386    H    ASN  52           H        ASN  52   3.315   4.527  -2.015
  387    HA   ASN  52           HA       ASN  52   3.001   7.124  -3.315
  388   1HB   ASN  52          1HB       ASN  52   2.776   5.135  -4.944
  389   2HB   ASN  52          2HB       ASN  52   1.278   4.761  -4.075
  390   1HD2  ASN  52          2HD2      ASN  52   1.246   7.326  -7.020
  391   2HD2  ASN  52          1HD2      ASN  52   2.349   6.138  -6.742
  392    H    CYS  53           H        CYS  53   1.231   8.233  -2.602
  393    HA   CYS  53           HA       CYS  53  -0.421   7.005  -0.502
  394   1HB   CYS  53          1HB       CYS  53   0.685   9.765  -0.693
  395   2HB   CYS  53          2HB       CYS  53  -0.724   9.369   0.305
  396    H    CYS  54           H        CYS  54  -2.603   7.395  -0.611
  397    HA   CYS  54           HA       CYS  54  -3.768   9.134  -2.577
  398   1HB   CYS  54          1HB       CYS  54  -5.198   7.166  -3.431
  399   2HB   CYS  54          2HB       CYS  54  -3.569   7.386  -4.093
  400    NH1  ARG  55           NH2      ARG  55  -7.043  14.807   2.563
  401    NH2  ARG  55           NH1      ARG  55  -5.813  13.728   4.205
  402    H    ARG  55           H        ARG  55  -6.094   9.211  -2.344
  403    HA   ARG  55           HA       ARG  55  -6.951   8.541   0.382
  404   1HB   ARG  55          1HB       ARG  55  -7.830  10.916  -1.269
  405   2HB   ARG  55          2HB       ARG  55  -8.325  10.532   0.389
  406   1HG   ARG  55          1HG       ARG  55  -5.814  10.609   0.961
  407   2HG   ARG  55          2HG       ARG  55  -5.608  11.399  -0.610
  408   1HD   ARG  55          1HD       ARG  55  -6.322  13.364   0.218
  409   2HD   ARG  55          2HD       ARG  55  -7.794  12.615   0.860
  410    HE   ARG  55           HE       ARG  55  -5.669  11.931   2.538
  411   1HH1  ARG  55          1HH2      ARG  55  -7.420  14.807   1.690
  412   2HH1  ARG  55          2HH2      ARG  55  -7.160  15.560   3.130
  413   1HH2  ARG  55          1HH1      ARG  55  -5.320  12.972   4.501
  414   2HH2  ARG  55          2HH1      ARG  55  -5.925  14.477   4.778
  415    H    THR  56           H        THR  56  -7.246   7.214  -2.340
  416    HA   THR  56           HA       THR  56 -10.174   7.090  -2.510
  417    HB   THR  56           HB       THR  56  -9.353   5.794  -4.736
  418    HG1  THR  56           HG1      THR  56  -7.287   6.813  -5.430
  419   1HG2  THR  56          1HG2      THR  56  -8.965   8.833  -4.437
  420   2HG2  THR  56          2HG2      THR  56  -9.286   7.974  -5.953
  421   3HG2  THR  56          3HG2      THR  56 -10.547   8.086  -4.713
  422    H    ASP  57           H        ASP  57 -11.252   5.222  -2.417
  423    HA   ASP  57           HA       ASP  57 -10.320   3.280  -0.616
  424   1HB   ASP  57          1HB       ASP  57 -12.760   3.819  -2.091
  425   2HB   ASP  57          2HB       ASP  57 -12.371   2.091  -2.114
  426    NH1  ARG  58           NH2      ARG  58 -12.332  -4.061  -5.557
  427    NH2  ARG  58           NH1      ARG  58 -10.319  -4.190  -6.698
  428    H    ARG  58           H        ARG  58  -9.507   1.277  -0.971
  429    HA   ARG  58           HA       ARG  58  -8.188  -0.305  -1.978
  430   1HB   ARG  58          1HB       ARG  58 -10.682  -0.057  -3.578
  431   2HB   ARG  58          2HB       ARG  58  -9.333  -0.907  -4.352
  432   1HG   ARG  58          1HG       ARG  58  -9.154  -2.377  -2.354
  433   2HG   ARG  58          2HG       ARG  58 -10.563  -1.563  -1.655
  434   1HD   ARG  58          1HD       ARG  58 -11.229  -3.668  -2.735
  435   2HD   ARG  58          2HD       ARG  58 -11.928  -2.282  -3.590
  436    HE   ARG  58           HE       ARG  58  -9.418  -3.102  -4.690
  437   1HH1  ARG  58          1HH2      ARG  58 -12.817  -3.804  -4.782
  438   2HH1  ARG  58          2HH2      ARG  58 -12.781  -4.478  -6.283
  439   1HH2  ARG  58          1HH1      ARG  58  -9.383  -4.028  -6.740
  440   2HH2  ARG  58          2HH1      ARG  58 -10.762  -4.607  -7.428
  441    H    CYS  59           H        CYS  59  -7.717   2.564  -2.584
  442    HA   CYS  59           HA       CYS  59  -6.868   2.841  -5.274
  443   1HB   CYS  59          1HB       CYS  59  -5.889   4.869  -4.687
  444   2HB   CYS  59          2HB       CYS  59  -7.431   4.738  -3.824
  445    H    ASN  60           H        ASN  60  -5.559   1.491  -2.389
  446    HA   ASN  60           HA       ASN  60  -2.857   1.302  -3.451
  447   1HB   ASN  60          1HB       ASN  60  -2.394   0.166  -1.238
  448   2HB   ASN  60          2HB       ASN  60  -2.934   1.849  -1.109
  449   1HD2  ASN  60          2HD2      ASN  60  -4.733   0.021   1.423
  450   2HD2  ASN  60          1HD2      ASN  60  -3.191   0.480   1.083
  451    H    ASN  61           H        ASN  61  -3.495  -0.114  -5.175
  452    HA   ASN  61           HA       ASN  61  -3.788  -2.904  -4.337
  453   1HB   ASN  61          1HB       ASN  61  -5.913  -2.400  -5.276
  454   2HB   ASN  61          2HB       ASN  61  -5.191  -1.464  -6.597
  455   1HD2  ASN  61          2HD2      ASN  61  -6.004  -5.313  -6.998
  456   2HD2  ASN  61          1HD2      ASN  61  -6.556  -4.332  -5.798
   
  Start of MODEL           9
 Raw file had 456 H/Q atoms
  Start of MODEL    9
    1   1H    LEU   1          3H        LEU   1 -13.497   3.265   5.777
    2   2H    LEU   1          1H        LEU   1 -12.157   3.656   6.304
    3   3H    LEU   1          2H        LEU   1 -13.087   4.699   5.781
    4    HA   LEU   1           HA       LEU   1 -12.946   3.889   3.514
    5   1HB   LEU   1          1HB       LEU   1 -11.335   5.588   4.623
    6   2HB   LEU   1          2HB       LEU   1 -10.155   4.299   4.326
    7    HG   LEU   1           HG       LEU   1 -11.816   4.883   1.994
    8   1HD1  LEU   1          1HD1      LEU   1 -10.155   7.131   3.075
    9   2HD1  LEU   1          2HD1      LEU   1 -10.860   7.035   1.452
   10   3HD1  LEU   1          3HD1      LEU   1 -11.914   7.094   2.874
   11   1HD2  LEU   1          1HD2      LEU   1  -9.753   3.525   1.932
   12   2HD2  LEU   1          2HD2      LEU   1  -9.603   4.961   0.905
   13   3HD2  LEU   1          3HD2      LEU   1  -8.817   4.921   2.492
   14    H    GLU   2           H        GLU   2 -12.512   2.163   2.288
   15    HA   GLU   2           HA       GLU   2 -11.359  -0.203   3.554
   16   1HB   GLU   2          1HB       GLU   2 -13.686   0.076   2.095
   17   2HB   GLU   2          2HB       GLU   2 -12.545  -0.531   0.882
   18   1HG   GLU   2          1HG       GLU   2 -12.222  -2.540   1.989
   19   2HG   GLU   2          2HG       GLU   2 -12.625  -1.853   3.572
   20    H    CYS   3           H        CYS   3  -9.329  -0.479   3.262
   21    HA   CYS   3           HA       CYS   3  -8.075   0.281   0.717
   22   1HB   CYS   3          1HB       CYS   3  -6.797  -0.001   3.408
   23   2HB   CYS   3          2HB       CYS   3  -5.966   0.358   1.884
   24    H    HIS   4           H        HIS   4  -6.341  -1.191   0.047
   25    HA   HIS   4           HA       HIS   4  -7.195  -3.904   0.032
   26   1HB   HIS   4          1HB       HIS   4  -5.225  -2.266  -1.375
   27   2HB   HIS   4          2HB       HIS   4  -4.618  -3.885  -0.987
   28    HD2  HIS   4           HD2      HIS   4  -6.007  -2.436  -3.974
   29    HE1  HIS   4           HE1      HIS   4  -8.093  -6.127  -3.743
   30    H    ASN   5           H        ASN   5  -5.757  -5.687   0.543
   31    HA   ASN   5           HA       ASN   5  -4.245  -5.205   3.013
   32   1HB   ASN   5          1HB       ASN   5  -6.634  -6.768   2.672
   33   2HB   ASN   5          2HB       ASN   5  -5.284  -7.861   3.024
   34   1HD2  ASN   5          2HD2      ASN   5  -6.379  -7.191   6.288
   35   2HD2  ASN   5          1HD2      ASN   5  -6.626  -8.155   4.977
   36    H    GLN   6           H        GLN   6  -4.869  -7.413   0.329
   37    HA   GLN   6           HA       GLN   6  -2.917  -9.265   0.508
   38   1HB   GLN   6          1HB       GLN   6  -2.699  -8.933  -2.092
   39   2HB   GLN   6          2HB       GLN   6  -4.213  -9.539  -1.398
   40   1HG   GLN   6          1HG       GLN   6  -5.365  -7.660  -1.948
   41   2HG   GLN   6          2HG       GLN   6  -4.004  -6.593  -1.562
   42   1HE2  GLN   6          2HE2      GLN   6  -4.933  -6.920  -5.247
   43   2HE2  GLN   6          1HE2      GLN   6  -5.881  -6.897  -3.902
   44    H    GLN   7           H        GLN   7  -0.803  -9.466   0.060
   45    HA   GLN   7           HA       GLN   7   0.733  -6.976  -0.182
   46   1HB   GLN   7          1HB       GLN   7   0.728  -8.607   2.000
   47   2HB   GLN   7          2HB       GLN   7   2.143  -9.175   1.096
   48   1HG   GLN   7          1HG       GLN   7   1.903  -6.247   1.176
   49   2HG   GLN   7          2HG       GLN   7   2.088  -6.984   2.777
   50   1HE2  GLN   7          2HE2      GLN   7   5.450  -6.376   1.870
   51   2HE2  GLN   7          1HE2      GLN   7   4.106  -5.633   2.460
   52    H    SER   8           H        SER   8   2.684  -7.117  -1.334
   53    HA   SER   8           HA       SER   8   3.985  -7.650  -3.134
   54   1HB   SER   8          1HB       SER   8   3.468 -10.252  -1.760
   55   2HB   SER   8          2HB       SER   8   4.159 -10.299  -3.391
   56    HG   SER   8           HG       SER   8   5.833 -10.343  -1.718
   57    H    SER   9           H        SER   9   2.279 -10.588  -3.618
   58    HA   SER   9           HA       SER   9   0.676  -9.413  -5.760
   59   1HB   SER   9          1HB       SER   9   1.234 -11.448  -7.152
   60   2HB   SER   9          2HB       SER   9   2.561 -10.293  -6.939
   61    HG   SER   9           HG       SER   9   3.293 -12.535  -6.716
   62    H    GLN  10           H        GLN  10  -0.257 -10.024  -3.280
   63    HA   GLN  10           HA       GLN  10  -1.416 -12.622  -3.139
   64   1HB   GLN  10          1HB       GLN  10  -1.234 -10.334  -1.416
   65   2HB   GLN  10          2HB       GLN  10  -2.886 -10.975  -1.460
   66   1HG   GLN  10          1HG       GLN  10  -2.211 -13.101  -0.711
   67   2HG   GLN  10          2HG       GLN  10  -0.517 -12.816  -1.144
   68   1HE2  GLN  10          2HE2      GLN  10   0.229 -12.132   2.100
   69   2HE2  GLN  10          1HE2      GLN  10   0.507 -12.986   0.721
   70    HA   PRO  11           HA       PRO  11  -5.217 -11.921  -5.178
   71   1HB   PRO  11          1HB       PRO  11  -7.142 -12.818  -3.390
   72   2HB   PRO  11          2HB       PRO  11  -6.130 -13.879  -4.384
   73   1HG   PRO  11          1HG       PRO  11  -5.992 -13.338  -1.491
   74   2HG   PRO  11          2HG       PRO  11  -5.302 -14.682  -2.417
   75   1HD   PRO  11          2HD       PRO  11  -3.927 -12.398  -1.383
   76   2HD   PRO  11          1HD       PRO  11  -3.261 -13.682  -2.408
   77    HA   PRO  12           HA       PRO  12  -7.223  -8.239  -4.129
   78   1HB   PRO  12          1HB       PRO  12  -9.822  -8.640  -5.019
   79   2HB   PRO  12          2HB       PRO  12  -8.451  -8.260  -6.076
   80   1HG   PRO  12          1HG       PRO  12  -9.883 -10.809  -5.717
   81   2HG   PRO  12          2HG       PRO  12  -8.823 -10.292  -7.040
   82   1HD   PRO  12          2HD       PRO  12  -8.186 -12.082  -4.902
   83   2HD   PRO  12          1HD       PRO  12  -7.094 -11.474  -6.158
   84    H    THR  13           H        THR  13  -7.287  -7.908  -2.047
   85    HA   THR  13           HA       THR  13  -9.717  -8.595  -0.588
   86    HB   THR  13           HB       THR  13  -8.034  -9.135   1.389
   87    HG1  THR  13           HG1      THR  13  -5.983 -10.011   0.489
   88   1HG2  THR  13          3HG2      THR  13  -9.415 -10.942   0.161
   89   2HG2  THR  13          1HG2      THR  13  -8.108 -11.038  -1.032
   90   3HG2  THR  13          2HG2      THR  13  -7.810 -11.511   0.648
   91    H    THR  14           H        THR  14 -10.376  -7.162   0.842
   92    HA   THR  14           HA       THR  14  -8.742  -4.775   1.318
   93    HB   THR  14           HB       THR  14 -11.705  -4.494   0.831
   94    HG1  THR  14           HG1      THR  14 -11.208  -4.386  -1.519
   95   1HG2  THR  14          1HG2      THR  14  -9.251  -2.913  -0.146
   96   2HG2  THR  14          2HG2      THR  14 -10.939  -2.388  -0.272
   97   3HG2  THR  14          3HG2      THR  14 -10.157  -2.484   1.314
   98    H    LYS  15           H        LYS  15  -9.846  -3.383   2.999
   99    HA   LYS  15           HA       LYS  15 -11.439  -4.580   4.995
  100   1HB   LYS  15          1HB       LYS  15  -9.848  -5.039   6.693
  101   2HB   LYS  15          2HB       LYS  15  -9.192  -5.801   5.234
  102   1HG   LYS  15          1HG       LYS  15  -7.363  -4.494   5.267
  103   2HG   LYS  15          2HG       LYS  15  -8.333  -3.026   5.485
  104   1HD   LYS  15          1HD       LYS  15  -8.174  -3.093   7.782
  105   2HD   LYS  15          2HD       LYS  15  -8.024  -4.858   7.828
  106   1HE   LYS  15          1HE       LYS  15  -5.766  -3.750   6.426
  107   2HE   LYS  15          2HE       LYS  15  -5.947  -2.927   7.985
  108   1HZ   LYS  15          1HZ       LYS  15  -5.775  -5.834   7.685
  109   2HZ   LYS  15          2HZ       LYS  15  -4.669  -4.983   8.213
  110   3HZ   LYS  15          3HZ       LYS  15  -5.928  -5.140   8.997
  111    H    THR  16           H        THR  16 -12.065  -3.200   6.550
  112    HA   THR  16           HA       THR  16 -11.742  -0.400   5.881
  113    HB   THR  16           HB       THR  16 -13.615  -2.024   7.631
  114    HG1  THR  16           HG1      THR  16 -15.151  -0.922   6.143
  115   1HG2  THR  16          3HG2      THR  16 -13.072   0.207   8.817
  116   2HG2  THR  16          1HG2      THR  16 -13.524   1.038   7.319
  117   3HG2  THR  16          2HG2      THR  16 -14.740   0.126   8.228
  118    H    CYS  17           H        CYS  17 -10.504   0.959   6.817
  119    HA   CYS  17           HA       CYS  17  -8.921   0.118   9.106
  120   1HB   CYS  17          1HB       CYS  17  -8.626   2.247   7.020
  121   2HB   CYS  17          2HB       CYS  17  -7.820   2.447   8.587
  122    H    SER  18           H        SER  18  -8.639   1.567  10.879
  123    HA   SER  18           HA       SER  18 -11.092   3.041  11.510
  124   1HB   SER  18          1HB       SER  18 -10.437   2.678  13.901
  125   2HB   SER  18          2HB       SER  18 -10.812   1.187  13.020
  126    HG   SER  18           HG       SER  18  -8.902   0.946  14.396
  127    H    GLY  19           H        GLY  19 -10.922   4.968  12.665
  128   1HA   GLY  19          1HA       GLY  19 -10.180   7.151  12.720
  129   2HA   GLY  19          2HA       GLY  19  -8.843   6.385  13.595
  130    H    GLU  20           H        GLU  20  -9.542   5.693  10.266
  131    HA   GLU  20           HA       GLU  20  -7.569   7.505   9.212
  132   1HB   GLU  20          1HB       GLU  20  -6.208   5.574  10.010
  133   2HB   GLU  20          2HB       GLU  20  -7.165   4.505   8.969
  134   1HG   GLU  20          1HG       GLU  20  -4.985   5.214   7.954
  135   2HG   GLU  20          2HG       GLU  20  -6.400   5.654   6.983
  136    H    THR  21           H        THR  21  -8.146   8.189   7.337
  137    HA   THR  21           HA       THR  21  -9.970   6.583   5.692
  138    HB   THR  21           HB       THR  21 -11.267   8.277   6.832
  139    HG1  THR  21           HG1      THR  21 -12.064   9.311   4.812
  140   1HG2  THR  21          1HG2      THR  21  -9.471  10.262   5.313
  141   2HG2  THR  21          2HG2      THR  21 -10.864  10.687   6.323
  142   3HG2  THR  21          3HG2      THR  21  -9.394  10.040   7.068
  143    H    ASN  22           H        ASN  22  -7.297   6.439   5.300
  144    HA   ASN  22           HA       ASN  22  -6.961   7.725   2.705
  145   1HB   ASN  22          1HB       ASN  22  -4.914   7.763   4.949
  146   2HB   ASN  22          2HB       ASN  22  -4.544   8.147   3.259
  147   1HD2  ASN  22          2HD2      ASN  22  -6.928  10.609   5.509
  148   2HD2  ASN  22          1HD2      ASN  22  -6.828   8.995   5.819
  149    H    CYS  23           H        CYS  23  -5.297   6.655   1.448
  150    HA   CYS  23           HA       CYS  23  -4.629   3.925   2.285
  151   1HB   CYS  23          1HB       CYS  23  -5.958   4.693  -0.279
  152   2HB   CYS  23          2HB       CYS  23  -5.089   3.168  -0.034
  153    OH   TYR  24           OH       TYR  24   1.130   0.706   5.540
  154    H    TYR  24           H        TYR  24  -2.627   3.315   1.662
  155    HA   TYR  24           HA       TYR  24  -1.090   4.974  -0.184
  156   1HB   TYR  24          1HB       TYR  24   0.672   5.202   1.446
  157   2HB   TYR  24          2HB       TYR  24  -0.820   5.521   2.348
  158    HD1  TYR  24           HD1      TYR  24   1.459   2.677   1.479
  159    HD2  TYR  24           HD2      TYR  24  -1.133   4.447   4.372
  160    HE1  TYR  24           HE1      TYR  24   2.070   0.865   3.146
  161    HE2  TYR  24           HE2      TYR  24  -0.515   2.629   6.029
  162    HH   TYR  24           HH       TYR  24   0.597   0.871   6.469
  163    H    LYS  25           H        LYS  25   0.848   3.925  -0.932
  164    HA   LYS  25           HA       LYS  25   0.972   1.027  -0.616
  165   1HB   LYS  25          1HB       LYS  25   1.466   1.925  -3.368
  166   2HB   LYS  25          2HB       LYS  25   0.516   0.551  -2.777
  167   1HG   LYS  25          1HG       LYS  25  -1.383   1.989  -2.326
  168   2HG   LYS  25          2HG       LYS  25  -0.435   3.431  -2.728
  169   1HD   LYS  25          1HD       LYS  25  -0.101   2.132  -5.027
  170   2HD   LYS  25          2HD       LYS  25  -1.616   1.357  -4.533
  171   1HE   LYS  25          1HE       LYS  25  -2.207   3.258  -5.871
  172   2HE   LYS  25          2HE       LYS  25  -2.570   3.679  -4.188
  173   1HZ   LYS  25          1HZ       LYS  25  -0.158   4.543  -5.602
  174   2HZ   LYS  25          2HZ       LYS  25  -1.306   5.442  -5.289
  175   3HZ   LYS  25          3HZ       LYS  25  -0.463   4.897  -4.186
  176    H    LYS  26           H        LYS  26   2.907   0.145  -0.690
  177    HA   LYS  26           HA       LYS  26   5.232   1.814  -1.251
  178   1HB   LYS  26          1HB       LYS  26   6.181   0.772   0.957
  179   2HB   LYS  26          2HB       LYS  26   5.331   2.325   0.893
  180   1HG   LYS  26          1HG       LYS  26   3.291   1.339   1.666
  181   2HG   LYS  26          2HG       LYS  26   3.928  -0.300   1.455
  182   1HD   LYS  26          1HD       LYS  26   5.082   1.730   3.392
  183   2HD   LYS  26          2HD       LYS  26   3.891   0.497   3.842
  184   1HE   LYS  26          1HE       LYS  26   5.699  -1.091   2.639
  185   2HE   LYS  26          2HE       LYS  26   6.783   0.204   3.176
  186   1HZ   LYS  26          3HZ       LYS  26   5.917  -0.192   5.416
  187   2HZ   LYS  26          1HZ       LYS  26   5.005  -1.281   4.965
  188   3HZ   LYS  26          2HZ       LYS  26   6.483  -1.476   4.909
  189    CH2  TRP  27           CH2      TRP  27   4.230   2.954  -5.642
  190    H    TRP  27           H        TRP  27   6.666   0.692  -2.371
  191    HA   TRP  27           HA       TRP  27   6.948  -2.189  -2.080
  192   1HB   TRP  27          1HB       TRP  27   6.769  -2.642  -4.418
  193   2HB   TRP  27          2HB       TRP  27   5.256  -2.006  -3.752
  194    HD1  TRP  27           HD1      TRP  27   7.624  -1.439  -6.577
  195    HE1  TRP  27           HE1      TRP  27   7.016   0.698  -7.840
  196    HE3  TRP  27           HE3      TRP  27   4.345   0.493  -3.220
  197    HZ2  TRP  27           HZ2      TRP  27   5.354   2.965  -7.506
  198    HZ3  TRP  27           HZ3      TRP  27   3.271   2.673  -3.768
  199    HH2  TRP  27           HH2      TRP  27   3.731   3.900  -5.825
  200    CH2  TRP  28           CH2      TRP  28   9.852  -4.615   1.957
  201    H    TRP  28           H        TRP  28   8.917  -2.903  -3.189
  202    HA   TRP  28           HA       TRP  28  10.854  -0.979  -4.092
  203   1HB   TRP  28          1HB       TRP  28  12.388  -1.046  -2.417
  204   2HB   TRP  28          2HB       TRP  28  10.842  -0.828  -1.580
  205    HD1  TRP  28           HD1      TRP  28  13.585  -3.490  -2.104
  206    HE1  TRP  28           HE1      TRP  28  13.346  -5.272  -0.288
  207    HE3  TRP  28           HE3      TRP  28   9.239  -1.867  -0.046
  208    HZ2  TRP  28           HZ2      TRP  28  11.554  -5.960   1.794
  209    HZ3  TRP  28           HZ3      TRP  28   8.313  -3.153   1.876
  210    HH2  TRP  28           HH2      TRP  28   9.400  -5.133   2.796
  211    H    SER  29           H        SER  29  12.168  -1.988  -5.474
  212    HA   SER  29           HA       SER  29  11.863  -4.821  -5.942
  213   1HB   SER  29          1HB       SER  29  13.763  -3.070  -7.476
  214   2HB   SER  29          2HB       SER  29  12.841  -4.480  -8.027
  215    HG   SER  29           HG       SER  29  12.011  -2.461  -8.948
  216    H    ASP  30           H        ASP  30  13.436  -6.322  -5.795
  217    HA   ASP  30           HA       ASP  30  15.784  -5.604  -4.190
  218   1HB   ASP  30          1HB       ASP  30  15.843  -8.033  -3.612
  219   2HB   ASP  30          2HB       ASP  30  14.409  -7.179  -3.018
  220    H    HIS  31           H        HIS  31  17.277  -7.825  -4.590
  221    HA   HIS  31           HA       HIS  31  18.754  -7.344  -6.847
  222   1HB   HIS  31          1HB       HIS  31  18.529  -9.575  -4.926
  223   2HB   HIS  31          2HB       HIS  31  19.175 -10.017  -6.516
  224    HD2  HIS  31           HD2      HIS  31  21.518  -8.329  -7.239
  225    HE1  HIS  31           HE1      HIS  31  22.567  -7.797  -3.159
  226    NH1  ARG  32           NH2      ARG  32  18.386 -12.075 -13.014
  227    NH2  ARG  32           NH1      ARG  32  16.707 -11.155 -14.321
  228    H    ARG  32           H        ARG  32  16.595 -10.120  -6.584
  229    HA   ARG  32           HA       ARG  32  15.822  -9.693  -9.373
  230   1HB   ARG  32          1HB       ARG  32  17.462 -11.471  -9.456
  231   2HB   ARG  32          2HB       ARG  32  16.674 -12.318  -8.113
  232   1HG   ARG  32          1HG       ARG  32  15.109 -13.239  -9.460
  233   2HG   ARG  32          2HG       ARG  32  14.872 -11.733 -10.365
  234   1HD   ARG  32          1HD       ARG  32  17.484 -12.914 -10.904
  235   2HD   ARG  32          2HD       ARG  32  16.166 -14.038 -11.279
  236    HE   ARG  32           HE       ARG  32  15.230 -12.043 -12.573
  237   1HH1  ARG  32          1HH2      ARG  32  18.646 -12.554 -12.236
  238   2HH1  ARG  32          2HH2      ARG  32  19.044 -11.775 -13.629
  239   1HH2  ARG  32          1HH1      ARG  32  15.786 -10.979 -14.476
  240   2HH2  ARG  32          2HH1      ARG  32  17.359 -10.851 -14.941
  241    H    GLY  33           H        GLY  33  14.206  -8.739  -7.617
  242   1HA   GLY  33          1HA       GLY  33  11.821 -10.238  -7.884
  243   2HA   GLY  33          2HA       GLY  33  12.402 -10.244  -6.211
  244    H    THR  34           H        THR  34  10.177  -9.154  -6.157
  245    HA   THR  34           HA       THR  34  10.566  -6.342  -5.730
  246    HB   THR  34           HB       THR  34   8.739  -7.403  -7.930
  247    HG1  THR  34           HG1      THR  34  10.048  -5.800  -9.157
  248   1HG2  THR  34          1HG2      THR  34   9.054  -4.534  -6.859
  249   2HG2  THR  34          2HG2      THR  34   8.019  -5.027  -8.209
  250   3HG2  THR  34          3HG2      THR  34   7.616  -5.523  -6.558
  251    H    ILE  35           H        ILE  35   9.767  -5.950  -3.885
  252    HA   ILE  35           HA       ILE  35   7.569  -7.567  -2.839
  253    HB   ILE  35           HB       ILE  35   9.565  -5.886  -1.382
  254   1HG1  ILE  35          1HG1      ILE  35  10.364  -8.061  -2.368
  255   2HG1  ILE  35          2HG1      ILE  35  10.425  -7.996  -0.598
  256   1HG2  ILE  35          1HG2      ILE  35   7.264  -7.477  -0.309
  257   2HG2  ILE  35          2HG2      ILE  35   8.570  -6.751   0.643
  258   3HG2  ILE  35          3HG2      ILE  35   7.464  -5.717  -0.277
  259   1HD1  ILE  35          1HD1      ILE  35   8.232  -9.304  -2.247
  260   2HD1  ILE  35          2HD1      ILE  35   9.517 -10.155  -1.374
  261   3HD1  ILE  35          3HD1      ILE  35   8.294  -9.239  -0.478
  262    H    ILE  36           H        ILE  36   5.640  -6.683  -2.513
  263    HA   ILE  36           HA       ILE  36   5.314  -3.773  -2.718
  264    HB   ILE  36           HB       ILE  36   3.380  -5.884  -3.731
  265   1HG1  ILE  36          1HG1      ILE  36   4.159  -4.390  -5.902
  266   2HG1  ILE  36          2HG1      ILE  36   5.675  -4.532  -4.994
  267   1HG2  ILE  36          3HG2      ILE  36   2.228  -3.955  -2.941
  268   2HG2  ILE  36          1HG2      ILE  36   3.258  -2.898  -3.921
  269   3HG2  ILE  36          2HG2      ILE  36   2.161  -4.044  -4.709
  270   1HD1  ILE  36          3HD1      ILE  36   5.406  -6.987  -4.931
  271   2HD1  ILE  36          1HD1      ILE  36   3.892  -6.845  -5.838
  272   3HD1  ILE  36          2HD1      ILE  36   5.425  -6.390  -6.599
  273    H    GLU  37           H        GLU  37   3.746  -2.823  -1.497
  274    HA   GLU  37           HA       GLU  37   2.450  -4.367   0.586
  275   1HB   GLU  37          1HB       GLU  37   4.576  -3.969   1.593
  276   2HB   GLU  37          2HB       GLU  37   4.471  -2.238   1.230
  277   1HG   GLU  37          1HG       GLU  37   3.868  -2.691   3.574
  278   2HG   GLU  37          2HG       GLU  37   2.485  -2.049   2.670
  279    NH1  ARG  38           NH2      ARG  38  -2.780  -4.491  -2.361
  280    NH2  ARG  38           NH1      ARG  38  -2.266  -4.470  -4.621
  281    H    ARG  38           H        ARG  38   0.812  -3.196   1.644
  282    HA   ARG  38           HA       ARG  38   0.127  -0.544   0.678
  283   1HB   ARG  38          1HB       ARG  38  -1.648  -2.985   0.397
  284   2HB   ARG  38          2HB       ARG  38  -2.260  -1.323   0.324
  285   1HG   ARG  38          1HG       ARG  38  -1.905  -1.737  -1.924
  286   2HG   ARG  38          2HG       ARG  38  -0.339  -1.039  -1.475
  287   1HD   ARG  38          1HD       ARG  38   0.763  -2.996  -1.804
  288   2HD   ARG  38          2HD       ARG  38  -0.536  -3.960  -1.079
  289    HE   ARG  38           HE       ARG  38  -0.219  -3.341  -3.870
  290   1HH1  ARG  38          1HH2      ARG  38  -2.543  -4.275  -1.467
  291   2HH1  ARG  38          2HH2      ARG  38  -3.602  -4.931  -2.542
  292   1HH2  ARG  38          1HH1      ARG  38  -1.675  -4.243  -5.329
  293   2HH2  ARG  38          2HH1      ARG  38  -3.086  -4.910  -4.809
  294    H    GLY  39           H        GLY  39  -1.684   0.369   1.897
  295   1HA   GLY  39          1HA       GLY  39  -2.730  -0.685   4.252
  296   2HA   GLY  39          2HA       GLY  39  -1.272   0.239   4.652
  297    H    CYS  40           H        CYS  40  -3.060   1.416   5.840
  298    HA   CYS  40           HA       CYS  40  -4.333   3.434   4.140
  299   1HB   CYS  40          1HB       CYS  40  -5.038   2.748   6.998
  300   2HB   CYS  40          2HB       CYS  40  -5.917   3.830   5.903
  301    H    GLY  41           H        GLY  41  -4.266   5.593   4.857
  302   1HA   GLY  41          1HA       GLY  41  -3.431   7.373   6.184
  303   2HA   GLY  41          2HA       GLY  41  -2.159   6.279   6.753
  304    H    CYS  42           H        CYS  42  -0.722   8.031   6.186
  305    HA   CYS  42           HA       CYS  42   0.328   7.742   3.519
  306   1HB   CYS  42          1HB       CYS  42  -1.258   9.610   3.274
  307   2HB   CYS  42          2HB       CYS  42  -0.444  10.462   4.598
  308    HA   PRO  43           HA       PRO  43   3.532   7.844   6.616
  309   1HB   PRO  43          1HB       PRO  43   5.118   5.948   5.343
  310   2HB   PRO  43          2HB       PRO  43   3.892   5.593   6.573
  311   1HG   PRO  43          1HG       PRO  43   3.806   5.140   3.663
  312   2HG   PRO  43          2HG       PRO  43   2.812   4.422   4.941
  313   1HD   PRO  43          2HD       PRO  43   2.067   6.495   3.121
  314   2HD   PRO  43          1HD       PRO  43   1.117   5.860   4.475
  315    H    LYS  44           H        LYS  44   6.016   8.000   6.201
  316    HA   LYS  44           HA       LYS  44   6.420  10.208   4.394
  317   1HB   LYS  44          1HB       LYS  44   8.385  10.671   5.492
  318   2HB   LYS  44          2HB       LYS  44   7.229  10.185   6.743
  319   1HG   LYS  44          1HG       LYS  44   8.204   7.891   6.699
  320   2HG   LYS  44          2HG       LYS  44   9.411   8.457   5.532
  321   1HD   LYS  44          1HD       LYS  44  10.062  10.217   7.252
  322   2HD   LYS  44          2HD       LYS  44   9.049   9.335   8.408
  323   1HE   LYS  44          1HE       LYS  44  10.625   7.758   8.718
  324   2HE   LYS  44          2HE       LYS  44  10.862   7.554   6.974
  325   1HZ   LYS  44          1HZ       LYS  44  12.132   9.662   8.558
  326   2HZ   LYS  44          2HZ       LYS  44  12.851   8.462   8.039
  327   3HZ   LYS  44          3HZ       LYS  44  12.332   9.490   7.090
  328    H    VAL  45           H        VAL  45   7.426  10.076   2.498
  329    HA   VAL  45           HA       VAL  45   8.130   7.507   1.403
  330    HB   VAL  45           HB       VAL  45   6.892   9.049  -0.014
  331   1HG1  VAL  45          3HG1      VAL  45   7.469  11.122   1.049
  332   2HG1  VAL  45          1HG1      VAL  45   9.122  11.015   0.427
  333   3HG1  VAL  45          2HG1      VAL  45   7.765  11.209  -0.695
  334   1HG2  VAL  45          3HG2      VAL  45   9.791   8.877  -0.916
  335   2HG2  VAL  45          1HG2      VAL  45   8.563   7.623  -1.148
  336   3HG2  VAL  45          2HG2      VAL  45   8.398   9.186  -1.966
  337    H    LYS  46           H        LYS  46   9.950   6.630   1.798
  338    HA   LYS  46           HA       LYS  46  12.298   8.227   2.438
  339   1HB   LYS  46          1HB       LYS  46  12.705   6.737   3.932
  340   2HB   LYS  46          2HB       LYS  46  11.295   5.797   3.414
  341   1HG   LYS  46          1HG       LYS  46  12.741   4.785   1.612
  342   2HG   LYS  46          2HG       LYS  46  14.130   5.592   2.358
  343   1HD   LYS  46          1HD       LYS  46  12.748   4.258   4.444
  344   2HD   LYS  46          2HD       LYS  46  12.861   3.112   3.098
  345   1HE   LYS  46          1HE       LYS  46  15.269   4.701   3.981
  346   2HE   LYS  46          2HE       LYS  46  14.812   3.205   4.812
  347   1HZ   LYS  46          1HZ       LYS  46  15.403   3.366   1.950
  348   2HZ   LYS  46          2HZ       LYS  46  16.322   2.763   2.958
  349   3HZ   LYS  46          3HZ       LYS  46  15.019   2.106   2.651
  350    HA   PRO  47           HA       PRO  47  14.063   7.540  -1.474
  351   1HB   PRO  47          1HB       PRO  47  16.757   7.726  -0.826
  352   2HB   PRO  47          2HB       PRO  47  15.671   9.102  -1.081
  353   1HG   PRO  47          1HG       PRO  47  16.783   8.041   1.432
  354   2HG   PRO  47          2HG       PRO  47  16.067   9.628   1.103
  355   1HD   PRO  47          2HD       PRO  47  14.856   7.425   2.467
  356   2HD   PRO  47          1HD       PRO  47  14.101   8.969   2.034
  357    H    GLY  48           H        GLY  48  14.625   5.847  -2.689
  358   1HA   GLY  48          1HA       GLY  48  15.791   3.876  -3.266
  359   2HA   GLY  48          2HA       GLY  48  16.038   3.577  -1.536
  360    H    VAL  49           H        VAL  49  13.138   4.316  -1.145
  361    HA   VAL  49           HA       VAL  49  11.954   1.761  -1.978
  362    HB   VAL  49           HB       VAL  49  11.547   3.289   0.572
  363   1HG1  VAL  49          1HG1      VAL  49  10.193   0.763  -0.442
  364   2HG1  VAL  49          2HG1      VAL  49  10.018   1.451   1.182
  365   3HG1  VAL  49          3HG1      VAL  49   9.411   2.338  -0.226
  366   1HG2  VAL  49          3HG2      VAL  49  12.755   0.593   0.016
  367   2HG2  VAL  49          1HG2      VAL  49  13.610   2.060   0.525
  368   3HG2  VAL  49          2HG2      VAL  49  12.446   1.289   1.616
  369    H    ASN  50           H        ASN  50   9.938   1.823  -2.842
  370    HA   ASN  50           HA       ASN  50   8.998   4.348  -3.868
  371   1HB   ASN  50          1HB       ASN  50   7.662   1.664  -4.255
  372   2HB   ASN  50          2HB       ASN  50   7.569   3.101  -5.289
  373   1HD2  ASN  50          2HD2      ASN  50   9.781   1.445  -7.340
  374   2HD2  ASN  50          1HD2      ASN  50   8.230   1.927  -7.074
  375    H    LEU  51           H        LEU  51   7.282   5.403  -3.079
  376    HA   LEU  51           HA       LEU  51   5.307   4.097  -1.394
  377   1HB   LEU  51          1HB       LEU  51   6.936   4.674   0.189
  378   2HB   LEU  51          2HB       LEU  51   6.993   6.344  -0.404
  379    HG   LEU  51           HG       LEU  51   5.705   5.844   1.769
  380   1HD1  LEU  51          1HD1      LEU  51   4.467   7.480  -0.413
  381   2HD1  LEU  51          2HD1      LEU  51   4.105   7.597   1.316
  382   3HD1  LEU  51          3HD1      LEU  51   5.729   7.983   0.724
  383   1HD2  LEU  51          3HD2      LEU  51   3.650   4.964  -0.291
  384   2HD2  LEU  51          1HD2      LEU  51   4.409   3.920   0.922
  385   3HD2  LEU  51          2HD2      LEU  51   3.338   5.235   1.432
  386    H    ASN  52           H        ASN  52   3.356   4.887  -1.809
  387    HA   ASN  52           HA       ASN  52   3.062   7.501  -3.093
  388   1HB   ASN  52          1HB       ASN  52   2.869   5.498  -4.705
  389   2HB   ASN  52          2HB       ASN  52   1.359   5.125  -3.856
  390   1HD2  ASN  52          2HD2      ASN  52   0.353   7.050  -6.703
  391   2HD2  ASN  52          1HD2      ASN  52   0.945   5.560  -6.332
  392    H    CYS  53           H        CYS  53   1.164   8.564  -2.550
  393    HA   CYS  53           HA       CYS  53  -0.451   7.401  -0.386
  394   1HB   CYS  53          1HB       CYS  53   0.491  10.209  -0.750
  395   2HB   CYS  53          2HB       CYS  53  -0.867   9.769   0.299
  396    H    CYS  54           H        CYS  54  -2.643   7.676  -0.547
  397    HA   CYS  54           HA       CYS  54  -3.897   9.267  -2.561
  398   1HB   CYS  54          1HB       CYS  54  -5.106   7.258  -3.541
  399   2HB   CYS  54          2HB       CYS  54  -3.427   7.509  -4.051
  400    NH1  ARG  55           NH2      ARG  55  -7.896  14.414   2.752
  401    NH2  ARG  55           NH1      ARG  55  -5.751  15.151   2.272
  402    H    ARG  55           H        ARG  55  -6.259   9.015  -2.437
  403    HA   ARG  55           HA       ARG  55  -7.128   8.248   0.259
  404   1HB   ARG  55          1HB       ARG  55  -7.936  10.683  -1.338
  405   2HB   ARG  55          2HB       ARG  55  -8.755  10.132   0.136
  406   1HG   ARG  55          1HG       ARG  55  -6.318  10.181   1.143
  407   2HG   ARG  55          2HG       ARG  55  -6.006  11.298  -0.197
  408   1HD   ARG  55          1HD       ARG  55  -8.275  12.398   0.704
  409   2HD   ARG  55          2HD       ARG  55  -7.737  11.645   2.215
  410    HE   ARG  55           HE       ARG  55  -5.585  13.029   1.048
  411   1HH1  ARG  55          1HH2      ARG  55  -8.570  13.750   2.667
  412   2HH1  ARG  55          2HH2      ARG  55  -8.066  15.203   3.252
  413   1HH2  ARG  55          1HH1      ARG  55  -4.908  15.018   1.854
  414   2HH2  ARG  55          2HH1      ARG  55  -5.913  15.943   2.771
  415    H    THR  56           H        THR  56  -7.230   6.881  -2.385
  416    HA   THR  56           HA       THR  56 -10.114   6.707  -2.836
  417    HB   THR  56           HB       THR  56  -9.135   5.332  -4.895
  418    HG1  THR  56           HG1      THR  56  -7.010   6.312  -5.452
  419   1HG2  THR  56          1HG2      THR  56  -8.737   8.376  -4.646
  420   2HG2  THR  56          2HG2      THR  56  -8.948   7.479  -6.160
  421   3HG2  THR  56          3HG2      THR  56 -10.300   7.635  -5.027
  422    H    ASP  57           H        ASP  57 -11.159   4.768  -2.679
  423    HA   ASP  57           HA       ASP  57 -10.211   2.882  -0.793
  424   1HB   ASP  57          1HB       ASP  57 -12.689   3.478  -2.096
  425   2HB   ASP  57          2HB       ASP  57 -12.331   1.757  -2.323
  426    NH1  ARG  58           NH2      ARG  58 -10.884  -5.791  -3.147
  427    NH2  ARG  58           NH1      ARG  58 -13.110  -5.162  -3.290
  428    H    ARG  58           H        ARG  58  -9.271   0.963  -1.130
  429    HA   ARG  58           HA       ARG  58  -8.136  -0.751  -2.130
  430   1HB   ARG  58          1HB       ARG  58 -10.638  -0.535  -3.463
  431   2HB   ARG  58          2HB       ARG  58  -9.391  -0.849  -4.683
  432   1HG   ARG  58          1HG       ARG  58  -8.568  -2.658  -2.964
  433   2HG   ARG  58          2HG       ARG  58 -10.216  -2.524  -2.327
  434   1HD   ARG  58          1HD       ARG  58 -10.064  -2.764  -5.267
  435   2HD   ARG  58          2HD       ARG  58  -9.466  -4.181  -4.385
  436    HE   ARG  58           HE       ARG  58 -12.189  -3.112  -4.276
  437   1HH1  ARG  58          1HH2      ARG  58  -9.967  -5.592  -3.295
  438   2HH1  ARG  58          2HH2      ARG  58 -11.133  -6.621  -2.756
  439   1HH2  ARG  58          1HH1      ARG  58 -13.773  -4.526  -3.535
  440   2HH2  ARG  58          2HH1      ARG  58 -13.367  -5.989  -2.900
  441    H    CYS  59           H        CYS  59  -7.606   2.192  -2.723
  442    HA   CYS  59           HA       CYS  59  -6.546   2.398  -5.346
  443   1HB   CYS  59          1HB       CYS  59  -5.908   4.486  -4.874
  444   2HB   CYS  59          2HB       CYS  59  -7.227   4.268  -3.712
  445    H    ASN  60           H        ASN  60  -5.617   0.754  -2.587
  446    HA   ASN  60           HA       ASN  60  -2.758   0.841  -3.064
  447   1HB   ASN  60          1HB       ASN  60  -3.663  -1.201  -1.189
  448   2HB   ASN  60          2HB       ASN  60  -2.557   0.158  -0.925
  449   1HD2  ASN  60          2HD2      ASN  60  -4.773   1.694   1.129
  450   2HD2  ASN  60          1HD2      ASN  60  -3.248   1.173   0.799
  451    H    ASN  61           H        ASN  61  -2.896  -0.104  -5.174
  452    HA   ASN  61           HA       ASN  61  -2.892  -3.008  -5.112
  453   1HB   ASN  61          1HB       ASN  61  -4.285  -3.256  -7.040
  454   2HB   ASN  61          2HB       ASN  61  -5.172  -2.230  -5.900
  455   1HD2  ASN  61          2HD2      ASN  61  -5.296  -0.907  -9.371
  456   2HD2  ASN  61          1HD2      ASN  61  -5.593  -2.375  -8.690
   
  Start of MODEL          10
 Raw file had 456 H/Q atoms
  Start of MODEL   10
    1   1H    LEU   1          3H        LEU   1 -14.669   2.949   4.138
    2   2H    LEU   1          1H        LEU   1 -13.780   3.433   5.232
    3   3H    LEU   1          2H        LEU   1 -14.491   4.412   4.360
    4    HA   LEU   1           HA       LEU   1 -13.228   3.795   2.400
    5   1HB   LEU   1          1HB       LEU   1 -12.532   5.564   4.153
    6   2HB   LEU   1          2HB       LEU   1 -11.200   4.428   4.427
    7    HG   LEU   1           HG       LEU   1 -11.674   5.033   1.598
    8   1HD1  LEU   1          3HD1      LEU   1 -12.215   7.249   2.544
    9   2HD1  LEU   1          1HD1      LEU   1 -10.706   7.221   3.473
   10   3HD1  LEU   1          2HD1      LEU   1 -10.656   7.279   1.703
   11   1HD2  LEU   1          1HD2      LEU   1  -9.821   3.713   2.303
   12   2HD2  LEU   1          2HD2      LEU   1  -9.265   5.223   1.563
   13   3HD2  LEU   1          3HD2      LEU   1  -9.225   5.032   3.324
   14    H    GLU   2           H        GLU   2 -13.052   1.732   1.750
   15    HA   GLU   2           HA       GLU   2 -11.535  -0.201   3.326
   16   1HB   GLU   2          1HB       GLU   2 -12.775  -1.839   2.492
   17   2HB   GLU   2          2HB       GLU   2 -13.918  -0.533   2.134
   18   1HG   GLU   2          1HG       GLU   2 -12.934  -0.325  -0.134
   19   2HG   GLU   2          2HG       GLU   2 -11.848  -1.677   0.230
   20    H    CYS   3           H        CYS   3  -9.578  -0.799   2.720
   21    HA   CYS   3           HA       CYS   3  -8.610  -0.200   0.012
   22   1HB   CYS   3          1HB       CYS   3  -7.437   0.593   2.590
   23   2HB   CYS   3          2HB       CYS   3  -6.342   0.038   1.312
   24    H    HIS   4           H        HIS   4  -6.634  -1.530  -0.438
   25    HA   HIS   4           HA       HIS   4  -7.165  -4.285   0.089
   26   1HB   HIS   4          1HB       HIS   4  -5.148  -2.778  -1.546
   27   2HB   HIS   4          2HB       HIS   4  -4.880  -4.491  -1.182
   28    HD2  HIS   4           HD2      HIS   4  -6.191  -2.641  -4.043
   29    HE1  HIS   4           HE1      HIS   4  -8.757  -6.018  -3.842
   30    H    ASN   5           H        ASN   5  -5.769  -5.767   1.024
   31    HA   ASN   5           HA       ASN   5  -4.093  -4.640   3.158
   32   1HB   ASN   5          1HB       ASN   5  -4.651  -6.894   4.313
   33   2HB   ASN   5          2HB       ASN   5  -5.895  -5.631   4.307
   34   1HD2  ASN   5          2HD2      ASN   5  -8.225  -7.378   2.553
   35   2HD2  ASN   5          1HD2      ASN   5  -7.783  -6.022   3.372
   36    H    GLN   6           H        GLN   6  -4.569  -7.180   0.805
   37    HA   GLN   6           HA       GLN   6  -2.553  -8.945   1.252
   38   1HB   GLN   6          1HB       GLN   6  -2.377  -9.007  -1.339
   39   2HB   GLN   6          2HB       GLN   6  -3.832  -9.580  -0.504
   40   1HG   GLN   6          1HG       GLN   6  -5.112  -7.834  -1.248
   41   2HG   GLN   6          2HG       GLN   6  -3.756  -6.693  -1.231
   42   1HE2  GLN   6          2HE2      GLN   6  -4.937  -7.587  -4.675
   43   2HE2  GLN   6          1HE2      GLN   6  -5.725  -7.168  -3.293
   44    H    GLN   7           H        GLN   7  -0.402  -9.076   0.614
   45    HA   GLN   7           HA       GLN   7   0.943  -6.575  -0.115
   46   1HB   GLN   7          1HB       GLN   7   2.069  -8.489   1.901
   47   2HB   GLN   7          2HB       GLN   7   2.653  -6.876   1.456
   48   1HG   GLN   7          1HG       GLN   7   1.114  -5.817   2.754
   49   2HG   GLN   7          2HG       GLN   7  -0.158  -6.992   2.381
   50   1HE2  GLN   7          2HE2      GLN   7   0.032  -8.241   5.535
   51   2HE2  GLN   7          1HE2      GLN   7  -0.852  -7.593   4.307
   52    H    SER   8           H        SER   8   2.987  -6.885  -1.134
   53    HA   SER   8           HA       SER   8   4.410  -7.777  -2.687
   54   1HB   SER   8          1HB       SER   8   3.785 -10.054  -0.902
   55   2HB   SER   8          2HB       SER   8   4.535 -10.411  -2.468
   56    HG   SER   8           HG       SER   8   6.147 -10.141  -0.756
   57    H    SER   9           H        SER   9   2.700 -10.745  -2.736
   58    HA   SER   9           HA       SER   9   1.156  -9.986  -5.097
   59   1HB   SER   9          1HB       SER   9   2.803 -12.524  -4.921
   60   2HB   SER   9          2HB       SER   9   1.855 -11.952  -6.305
   61    HG   SER   9           HG       SER   9   4.174 -11.586  -6.609
   62    H    GLN  10           H        GLN  10   0.226 -10.255  -2.512
   63    HA   GLN  10           HA       GLN  10  -0.904 -12.816  -2.020
   64   1HB   GLN  10          1HB       GLN  10  -0.787 -10.299  -0.648
   65   2HB   GLN  10          2HB       GLN  10  -2.429 -10.967  -0.622
   66   1HG   GLN  10          1HG       GLN  10  -1.835 -12.591   0.816
   67   2HG   GLN  10          2HG       GLN  10  -0.421 -13.029  -0.158
   68   1HE2  GLN  10          2HE2      GLN  10   1.869 -11.619   1.901
   69   2HE2  GLN  10          1HE2      GLN  10   1.486 -12.620   0.655
   70    HA   PRO  11           HA       PRO  11  -4.646 -12.536  -4.200
   71   1HB   PRO  11          1HB       PRO  11  -6.602 -13.231  -2.353
   72   2HB   PRO  11          2HB       PRO  11  -5.538 -14.374  -3.192
   73   1HG   PRO  11          1HG       PRO  11  -5.473 -13.475  -0.388
   74   2HG   PRO  11          2HG       PRO  11  -4.723 -14.899  -1.128
   75   1HD   PRO  11          2HD       PRO  11  -3.441 -12.460  -0.365
   76   2HD   PRO  11          1HD       PRO  11  -2.715 -13.837  -1.213
   77    HA   PRO  12           HA       PRO  12  -6.760  -8.759  -3.662
   78   1HB   PRO  12          1HB       PRO  12  -9.283  -9.310  -4.683
   79   2HB   PRO  12          2HB       PRO  12  -7.849  -9.000  -5.676
   80   1HG   PRO  12          1HG       PRO  12  -9.254 -11.538  -5.167
   81   2HG   PRO  12          2HG       PRO  12  -8.114 -11.124  -6.460
   82   1HD   PRO  12          2HD       PRO  12  -7.595 -12.682  -4.117
   83   2HD   PRO  12          1HD       PRO  12  -6.429 -12.170  -5.350
   84    H    THR  13           H        THR  13  -6.874  -8.384  -1.557
   85    HA   THR  13           HA       THR  13  -9.373  -9.083  -0.197
   86    HB   THR  13           HB       THR  13  -7.789  -9.147   1.905
   87    HG1  THR  13           HG1      THR  13  -5.637  -9.967   1.210
   88   1HG2  THR  13          3HG2      THR  13  -8.972 -11.198   0.868
   89   2HG2  THR  13          1HG2      THR  13  -7.603 -11.342  -0.247
   90   3HG2  THR  13          2HG2      THR  13  -7.356 -11.572   1.492
   91    H    THR  14           H        THR  14 -10.279  -7.479   0.968
   92    HA   THR  14           HA       THR  14  -8.872  -4.950   1.369
   93    HB   THR  14           HB       THR  14 -11.683  -4.728   0.479
   94    HG1  THR  14           HG1      THR  14 -10.861  -5.040  -1.867
   95   1HG2  THR  14          1HG2      THR  14  -9.136  -3.352  -0.435
   96   2HG2  THR  14          2HG2      THR  14 -10.785  -2.886  -0.884
   97   3HG2  THR  14          3HG2      THR  14 -10.252  -2.746   0.800
   98    H    LYS  15           H        LYS  15 -10.009  -3.512   2.811
   99    HA   LYS  15           HA       LYS  15 -11.986  -4.557   4.593
  100   1HB   LYS  15          1HB       LYS  15 -10.785  -4.905   6.517
  101   2HB   LYS  15          2HB       LYS  15  -9.908  -5.767   5.241
  102   1HG   LYS  15          1HG       LYS  15  -8.641  -3.397   5.098
  103   2HG   LYS  15          2HG       LYS  15  -9.122  -3.355   6.803
  104   1HD   LYS  15          1HD       LYS  15  -8.069  -5.586   7.123
  105   2HD   LYS  15          2HD       LYS  15  -7.530  -5.549   5.435
  106   1HE   LYS  15          1HE       LYS  15  -5.638  -4.743   6.499
  107   2HE   LYS  15          2HE       LYS  15  -6.486  -3.225   6.158
  108   1HZ   LYS  15          1HZ       LYS  15  -6.592  -4.608   8.735
  109   2HZ   LYS  15          2HZ       LYS  15  -5.816  -3.359   8.492
  110   3HZ   LYS  15          3HZ       LYS  15  -7.307  -3.331   8.447
  111    H    THR  16           H        THR  16 -12.690  -2.962   6.060
  112    HA   THR  16           HA       THR  16 -12.248  -0.249   5.175
  113    HB   THR  16           HB       THR  16 -14.286  -1.573   6.953
  114    HG1  THR  16           HG1      THR  16 -15.631  -0.779   5.125
  115   1HG2  THR  16          1HG2      THR  16 -14.081   1.367   6.062
  116   2HG2  THR  16          2HG2      THR  16 -15.409   0.658   6.997
  117   3HG2  THR  16          3HG2      THR  16 -13.809   0.844   7.733
  118    H    CYS  17           H        CYS  17 -10.889   1.070   6.137
  119    HA   CYS  17           HA       CYS  17  -9.624   0.354   8.640
  120   1HB   CYS  17          1HB       CYS  17  -9.076   2.492   6.587
  121   2HB   CYS  17          2HB       CYS  17  -8.279   2.474   8.169
  122    H    SER  18           H        SER  18  -9.618   1.678  10.434
  123    HA   SER  18           HA       SER  18 -11.876   3.548  10.614
  124   1HB   SER  18          1HB       SER  18 -11.333   1.207  12.146
  125   2HB   SER  18          2HB       SER  18 -11.239   2.631  13.195
  126    HG   SER  18           HG       SER  18 -13.426   1.724  13.123
  127    H    GLY  19           H        GLY  19 -11.547   5.416  11.766
  128   1HA   GLY  19          1HA       GLY  19 -10.462   7.096  12.922
  129   2HA   GLY  19          2HA       GLY  19  -9.091   5.993  13.132
  130    H    GLU  20           H        GLU  20  -8.403   5.358  10.628
  131    HA   GLU  20           HA       GLU  20  -7.368   7.861   9.574
  132   1HB   GLU  20          1HB       GLU  20  -5.814   5.938  10.047
  133   2HB   GLU  20          2HB       GLU  20  -6.637   5.029   8.768
  134   1HG   GLU  20          1HG       GLU  20  -4.473   6.290   8.143
  135   2HG   GLU  20          2HG       GLU  20  -5.877   6.485   7.080
  136    H    THR  21           H        THR  21  -7.912   8.720   7.737
  137    HA   THR  21           HA       THR  21  -9.853   7.312   6.044
  138    HB   THR  21           HB       THR  21 -10.844   9.501   5.569
  139    HG1  THR  21           HG1      THR  21  -9.954  11.369   6.794
  140   1HG2  THR  21          3HG2      THR  21 -11.546   8.321   7.758
  141   2HG2  THR  21          1HG2      THR  21 -10.263   9.225   8.580
  142   3HG2  THR  21          2HG2      THR  21 -11.635  10.087   7.865
  143    H    ASN  22           H        ASN  22  -7.160   6.923   5.642
  144    HA   ASN  22           HA       ASN  22  -6.803   8.038   2.989
  145   1HB   ASN  22          1HB       ASN  22  -4.731   8.255   5.193
  146   2HB   ASN  22          2HB       ASN  22  -4.378   8.493   3.473
  147   1HD2  ASN  22          2HD2      ASN  22  -6.685  11.155   5.562
  148   2HD2  ASN  22          1HD2      ASN  22  -6.558   9.581   6.026
  149    H    CYS  23           H        CYS  23  -4.896   6.916   1.944
  150    HA   CYS  23           HA       CYS  23  -4.172   4.327   3.001
  151   1HB   CYS  23          1HB       CYS  23  -5.722   4.658   0.425
  152   2HB   CYS  23          2HB       CYS  23  -4.831   3.192   0.871
  153    OH   TYR  24           OH       TYR  24   1.899   1.046   5.666
  154    H    TYR  24           H        TYR  24  -2.323   3.529   2.116
  155    HA   TYR  24           HA       TYR  24  -0.952   5.099   0.078
  156   1HB   TYR  24          1HB       TYR  24   0.942   5.411   1.517
  157   2HB   TYR  24          2HB       TYR  24  -0.451   5.739   2.561
  158    HD1  TYR  24           HD1      TYR  24   2.296   3.414   1.830
  159    HD2  TYR  24           HD2      TYR  24  -1.061   4.207   4.348
  160    HE1  TYR  24           HE1      TYR  24   3.104   1.658   3.473
  161    HE2  TYR  24           HE2      TYR  24  -0.241   2.448   5.982
  162    HH   TYR  24           HH       TYR  24   1.211   0.985   6.504
  163    H    LYS  25           H        LYS  25   0.786   3.993  -0.910
  164    HA   LYS  25           HA       LYS  25   0.907   1.095  -0.478
  165   1HB   LYS  25          1HB       LYS  25   1.178   1.109  -3.099
  166   2HB   LYS  25          2HB       LYS  25  -0.369   0.903  -2.258
  167   1HG   LYS  25          1HG       LYS  25  -1.037   3.112  -2.688
  168   2HG   LYS  25          2HG       LYS  25   0.620   3.649  -3.013
  169   1HD   LYS  25          1HD       LYS  25   0.626   2.790  -5.162
  170   2HD   LYS  25          2HD       LYS  25  -0.590   1.557  -4.786
  171   1HE   LYS  25          1HE       LYS  25  -2.023   2.933  -5.872
  172   2HE   LYS  25          2HE       LYS  25  -2.002   3.876  -4.371
  173   1HZ   LYS  25          1HZ       LYS  25  -0.256   4.412  -6.658
  174   2HZ   LYS  25          2HZ       LYS  25  -1.430   5.255  -6.290
  175   3HZ   LYS  25          3HZ       LYS  25  -0.239   5.204  -5.395
  176    H    LYS  26           H        LYS  26   2.911   0.225  -0.749
  177    HA   LYS  26           HA       LYS  26   5.128   1.914  -1.625
  178   1HB   LYS  26          1HB       LYS  26   6.370   0.807   0.404
  179   2HB   LYS  26          2HB       LYS  26   5.525   2.361   0.499
  180   1HG   LYS  26          1HG       LYS  26   3.637   1.390   1.560
  181   2HG   LYS  26          2HG       LYS  26   4.148  -0.254   1.140
  182   1HD   LYS  26          1HD       LYS  26   5.607   1.602   3.049
  183   2HD   LYS  26          2HD       LYS  26   4.548   0.265   3.530
  184   1HE   LYS  26          1HE       LYS  26   6.083  -1.255   2.164
  185   2HE   LYS  26          2HE       LYS  26   7.206   0.114   2.084
  186   1HZ   LYS  26          1HZ       LYS  26   6.295  -1.106   4.584
  187   2HZ   LYS  26          2HZ       LYS  26   7.661  -1.294   4.015
  188   3HZ   LYS  26          3HZ       LYS  26   7.239   0.046   4.517
  189    CH2  TRP  27           CH2      TRP  27   4.444   3.452  -5.855
  190    H    TRP  27           H        TRP  27   6.714   0.791  -2.642
  191    HA   TRP  27           HA       TRP  27   6.796  -2.108  -2.633
  192   1HB   TRP  27          1HB       TRP  27   6.598  -2.366  -4.989
  193   2HB   TRP  27          2HB       TRP  27   5.126  -1.667  -4.291
  194    HD1  TRP  27           HD1      TRP  27   7.605  -1.058  -7.023
  195    HE1  TRP  27           HE1      TRP  27   7.161   1.198  -8.141
  196    HE3  TRP  27           HE3      TRP  27   4.344   0.821  -3.618
  197    HZ2  TRP  27           HZ2      TRP  27   5.623   3.530  -7.684
  198    HZ3  TRP  27           HZ3      TRP  27   3.417   3.096  -4.031
  199    HH2  TRP  27           HH2      TRP  27   4.007   4.437  -5.980
  200    CH2  TRP  28           CH2      TRP  28   9.345  -4.640   1.437
  201    H    TRP  28           H        TRP  28   8.745  -2.849  -3.701
  202    HA   TRP  28           HA       TRP  28  10.790  -0.991  -4.500
  203   1HB   TRP  28          1HB       TRP  28  12.311  -1.251  -2.808
  204   2HB   TRP  28          2HB       TRP  28  10.771  -0.904  -2.003
  205    HD1  TRP  28           HD1      TRP  28  13.272  -3.798  -2.509
  206    HE1  TRP  28           HE1      TRP  28  12.822  -5.581  -0.732
  207    HE3  TRP  28           HE3      TRP  28   9.040  -1.816  -0.528
  208    HZ2  TRP  28           HZ2      TRP  28  10.921  -6.134   1.290
  209    HZ3  TRP  28           HZ3      TRP  28   7.949  -3.042   1.346
  210    HH2  TRP  28           HH2      TRP  28   8.826  -5.128   2.256
  211    H    SER  29           H        SER  29  12.207  -2.022  -5.795
  212    HA   SER  29           HA       SER  29  11.750  -4.831  -6.382
  213   1HB   SER  29          1HB       SER  29  13.262  -4.365  -8.348
  214   2HB   SER  29          2HB       SER  29  11.746  -3.447  -8.334
  215    HG   SER  29           HG       SER  29  13.590  -2.104  -8.967
  216    H    ASP  30           H        ASP  30  13.186  -6.383  -6.083
  217    HA   ASP  30           HA       ASP  30  15.543  -5.774  -4.476
  218   1HB   ASP  30          1HB       ASP  30  15.617  -8.198  -4.049
  219   2HB   ASP  30          2HB       ASP  30  14.067  -7.484  -3.573
  220    H    HIS  31           H        HIS  31  17.079  -7.942  -5.034
  221    HA   HIS  31           HA       HIS  31  18.674  -7.238  -7.133
  222   1HB   HIS  31          1HB       HIS  31  18.512  -9.453  -5.348
  223   2HB   HIS  31          2HB       HIS  31  18.988  -9.970  -6.975
  224    HD2  HIS  31           HD2      HIS  31  20.334  -7.647  -4.092
  225    HE1  HIS  31           HE1      HIS  31  23.464  -8.304  -6.884
  226    NH1  ARG  32           NH2      ARG  32  20.187 -14.201 -12.238
  227    NH2  ARG  32           NH1      ARG  32  18.565 -14.536 -13.860
  228    H    ARG  32           H        ARG  32  16.442  -9.995  -7.161
  229    HA   ARG  32           HA       ARG  32  15.795  -9.441  -9.955
  230   1HB   ARG  32          1HB       ARG  32  16.962 -11.943  -8.808
  231   2HB   ARG  32          2HB       ARG  32  15.720 -12.103 -10.061
  232   1HG   ARG  32          1HG       ARG  32  17.018 -10.949 -11.659
  233   2HG   ARG  32          2HG       ARG  32  18.093 -10.273 -10.424
  234   1HD   ARG  32          1HD       ARG  32  19.497 -11.960 -10.969
  235   2HD   ARG  32          2HD       ARG  32  18.389 -12.999 -10.057
  236    HE   ARG  32           HE       ARG  32  17.291 -12.903 -12.541
  237   1HH1  ARG  32          1HH2      ARG  32  20.470 -13.768 -11.441
  238   2HH1  ARG  32          2HH2      ARG  32  20.763 -14.820 -12.672
  239   1HH2  ARG  32          1HH1      ARG  32  17.705 -14.346 -14.216
  240   2HH2  ARG  32          2HH1      ARG  32  19.135 -15.156 -14.299
  241    H    GLY  33           H        GLY  33  14.131  -8.603  -8.148
  242   1HA   GLY  33          1HA       GLY  33  11.756 -10.092  -8.601
  243   2HA   GLY  33          2HA       GLY  33  12.281 -10.180  -6.911
  244    H    THR  34           H        THR  34   9.981  -9.099  -7.059
  245    HA   THR  34           HA       THR  34  10.380  -6.251  -6.588
  246    HB   THR  34           HB       THR  34   8.356  -7.476  -8.517
  247    HG1  THR  34           HG1      THR  34   9.478  -5.926  -9.973
  248   1HG2  THR  34          1HG2      THR  34   8.726  -4.547  -7.646
  249   2HG2  THR  34          2HG2      THR  34   7.555  -5.133  -8.839
  250   3HG2  THR  34          3HG2      THR  34   7.355  -5.542  -7.128
  251    H    ILE  35           H        ILE  35   9.757  -5.796  -4.692
  252    HA   ILE  35           HA       ILE  35   7.828  -7.484  -3.304
  253    HB   ILE  35           HB       ILE  35   9.782  -5.490  -2.242
  254   1HG1  ILE  35          1HG1      ILE  35  10.332  -7.847  -1.064
  255   2HG1  ILE  35          2HG1      ILE  35   9.689  -8.446  -2.602
  256   1HG2  ILE  35          1HG2      ILE  35   7.734  -7.095  -0.758
  257   2HG2  ILE  35          2HG2      ILE  35   9.064  -6.172  -0.038
  258   3HG2  ILE  35          3HG2      ILE  35   7.792  -5.334  -0.945
  259   1HD1  ILE  35          1HD1      ILE  35  11.949  -6.438  -2.289
  260   2HD1  ILE  35          2HD1      ILE  35  12.135  -8.145  -2.722
  261   3HD1  ILE  35          3HD1      ILE  35  11.306  -7.037  -3.827
  262    H    ILE  36           H        ILE  36   5.929  -6.692  -2.555
  263    HA   ILE  36           HA       ILE  36   5.226  -3.902  -3.103
  264    HB   ILE  36           HB       ILE  36   3.486  -6.331  -3.645
  265   1HG1  ILE  36          1HG1      ILE  36   4.500  -4.288  -5.635
  266   2HG1  ILE  36          2HG1      ILE  36   5.363  -5.801  -5.303
  267   1HG2  ILE  36          3HG2      ILE  36   2.158  -4.564  -2.762
  268   2HG2  ILE  36          1HG2      ILE  36   2.830  -3.423  -3.939
  269   3HG2  ILE  36          2HG2      ILE  36   1.835  -4.783  -4.490
  270   1HD1  ILE  36          1HD1      ILE  36   2.493  -5.575  -6.280
  271   2HD1  ILE  36          2HD1      ILE  36   3.889  -6.034  -7.269
  272   3HD1  ILE  36          3HD1      ILE  36   3.355  -7.087  -5.949
  273    H    GLU  37           H        GLU  37   3.737  -2.969  -1.773
  274    HA   GLU  37           HA       GLU  37   2.836  -4.353   0.593
  275   1HB   GLU  37          1HB       GLU  37   5.118  -3.789   1.198
  276   2HB   GLU  37          2HB       GLU  37   4.784  -2.080   0.869
  277   1HG   GLU  37          1HG       GLU  37   4.460  -2.223   3.179
  278   2HG   GLU  37          2HG       GLU  37   2.813  -2.397   2.549
  279    NH1  ARG  38           NH2      ARG  38  -2.091  -4.902  -2.284
  280    NH2  ARG  38           NH1      ARG  38  -1.890  -4.637  -4.577
  281    H    ARG  38           H        ARG  38   1.143  -3.327   1.557
  282    HA   ARG  38           HA       ARG  38   0.339  -0.675   0.664
  283   1HB   ARG  38          1HB       ARG  38  -1.284  -3.205   0.375
  284   2HB   ARG  38          2HB       ARG  38  -2.057  -1.616   0.505
  285   1HG   ARG  38          1HG       ARG  38  -1.858  -1.908  -1.809
  286   2HG   ARG  38          2HG       ARG  38  -0.433  -0.932  -1.413
  287   1HD   ARG  38          1HD       ARG  38   1.001  -2.587  -1.994
  288   2HD   ARG  38          2HD       ARG  38   0.023  -3.834  -1.200
  289    HE   ARG  38           HE       ARG  38  -0.134  -3.033  -3.970
  290   1HH1  ARG  38          1HH2      ARG  38  -1.809  -4.671  -1.407
  291   2HH1  ARG  38          2HH2      ARG  38  -2.784  -5.540  -2.407
  292   1HH2  ARG  38          1HH1      ARG  38  -1.474  -4.225  -5.326
  293   2HH2  ARG  38          2HH1      ARG  38  -2.582  -5.273  -4.710
  294    H    GLY  39           H        GLY  39  -1.469   0.150   1.965
  295   1HA   GLY  39          1HA       GLY  39  -2.352  -0.939   4.366
  296   2HA   GLY  39          2HA       GLY  39  -0.913   0.038   4.701
  297    H    CYS  40           H        CYS  40  -2.802   1.064   5.965
  298    HA   CYS  40           HA       CYS  40  -4.237   3.046   4.350
  299   1HB   CYS  40          1HB       CYS  40  -4.835   1.769   6.946
  300   2HB   CYS  40          2HB       CYS  40  -5.398   3.420   6.639
  301    H    GLY  41           H        GLY  41  -4.185   5.222   5.093
  302   1HA   GLY  41          1HA       GLY  41  -3.392   7.014   6.430
  303   2HA   GLY  41          2HA       GLY  41  -2.062   5.965   6.951
  304    H    CYS  42           H        CYS  42  -0.691   7.753   6.385
  305    HA   CYS  42           HA       CYS  42   0.249   7.593   3.658
  306   1HB   CYS  42          1HB       CYS  42  -1.327   9.468   3.569
  307   2HB   CYS  42          2HB       CYS  42  -0.499  10.232   4.936
  308    HA   PRO  43           HA       PRO  43   3.613   7.561   6.628
  309   1HB   PRO  43          1HB       PRO  43   5.062   5.624   5.266
  310   2HB   PRO  43          2HB       PRO  43   3.884   5.277   6.545
  311   1HG   PRO  43          1HG       PRO  43   3.657   4.871   3.636
  312   2HG   PRO  43          2HG       PRO  43   2.705   4.154   4.947
  313   1HD   PRO  43          2HD       PRO  43   1.926   6.274   3.193
  314   2HD   PRO  43          1HD       PRO  43   1.023   5.639   4.578
  315    H    LYS  44           H        LYS  44   5.998   7.763   6.197
  316    HA   LYS  44           HA       LYS  44   6.371   9.908   4.303
  317   1HB   LYS  44          1HB       LYS  44   8.360  10.417   5.379
  318   2HB   LYS  44          2HB       LYS  44   7.158  10.053   6.630
  319   1HG   LYS  44          1HG       LYS  44   8.138   7.629   6.494
  320   2HG   LYS  44          2HG       LYS  44   9.529   8.425   5.741
  321   1HD   LYS  44          1HD       LYS  44   8.405   9.473   8.330
  322   2HD   LYS  44          2HD       LYS  44   9.498   8.079   8.333
  323   1HE   LYS  44          1HE       LYS  44  11.096   9.510   6.941
  324   2HE   LYS  44          2HE       LYS  44  10.058  10.887   7.350
  325   1HZ   LYS  44          3HZ       LYS  44  10.550  10.383   9.681
  326   2HZ   LYS  44          1HZ       LYS  44  11.423   9.225   9.336
  327   3HZ   LYS  44          2HZ       LYS  44  11.845  10.610   8.978
  328    H    VAL  45           H        VAL  45   7.534   9.770   2.477
  329    HA   VAL  45           HA       VAL  45   8.131   7.193   1.369
  330    HB   VAL  45           HB       VAL  45   7.104   8.702  -0.089
  331   1HG1  VAL  45          1HG1      VAL  45   9.396  10.617   0.481
  332   2HG1  VAL  45          2HG1      VAL  45   8.101  10.875  -0.701
  333   3HG1  VAL  45          3HG1      VAL  45   7.723  10.816   1.029
  334   1HG2  VAL  45          3HG2      VAL  45  10.009   8.438  -0.819
  335   2HG2  VAL  45          1HG2      VAL  45   8.727   7.248  -1.100
  336   3HG2  VAL  45          2HG2      VAL  45   8.682   8.811  -1.932
  337    H    LYS  46           H        LYS  46   9.945   6.225   1.941
  338    HA   LYS  46           HA       LYS  46  12.293   7.675   2.804
  339   1HB   LYS  46          1HB       LYS  46  11.341   4.923   3.073
  340   2HB   LYS  46          2HB       LYS  46  13.094   5.165   2.969
  341   1HG   LYS  46          1HG       LYS  46  12.590   7.108   4.705
  342   2HG   LYS  46          2HG       LYS  46  11.152   6.128   5.041
  343   1HD   LYS  46          1HD       LYS  46  13.368   4.349   4.913
  344   2HD   LYS  46          2HD       LYS  46  13.856   5.720   5.924
  345   1HE   LYS  46          1HE       LYS  46  11.600   5.406   7.127
  346   2HE   LYS  46          2HE       LYS  46  11.526   3.833   6.312
  347   1HZ   LYS  46          1HZ       LYS  46  13.692   4.642   8.106
  348   2HZ   LYS  46          2HZ       LYS  46  12.629   3.661   8.471
  349   3HZ   LYS  46          3HZ       LYS  46  13.630   3.319   7.420
  350    HA   PRO  47           HA       PRO  47  14.353   7.362  -1.038
  351   1HB   PRO  47          1HB       PRO  47  16.989   7.285  -0.166
  352   2HB   PRO  47          2HB       PRO  47  16.016   8.762  -0.283
  353   1HG   PRO  47          1HG       PRO  47  16.860   7.264   2.109
  354   2HG   PRO  47          2HG       PRO  47  16.276   8.932   1.975
  355   1HD   PRO  47          2HD       PRO  47  14.822   6.652   2.907
  356   2HD   PRO  47          1HD       PRO  47  14.205   8.295   2.663
  357    H    GLY  48           H        GLY  48  14.504   5.753  -2.344
  358   1HA   GLY  48          1HA       GLY  48  15.650   3.823  -3.187
  359   2HA   GLY  48          2HA       GLY  48  15.832   3.283  -1.509
  360    H    VAL  49           H        VAL  49  13.180   3.830  -0.699
  361    HA   VAL  49           HA       VAL  49  11.787   1.591  -1.948
  362    HB   VAL  49           HB       VAL  49  11.356   2.923   0.707
  363   1HG1  VAL  49          3HG1      VAL  49   9.241   2.214  -0.182
  364   2HG1  VAL  49          1HG1      VAL  49   9.896   0.607  -0.535
  365   3HG1  VAL  49          2HG1      VAL  49   9.751   1.155   1.144
  366   1HG2  VAL  49          1HG2      VAL  49  13.390   1.527   0.580
  367   2HG2  VAL  49          2HG2      VAL  49  12.149   0.758   1.583
  368   3HG2  VAL  49          3HG2      VAL  49  12.430   0.187  -0.069
  369    H    ASN  50           H        ASN  50   9.845   1.852  -2.908
  370    HA   ASN  50           HA       ASN  50   9.052   4.500  -3.703
  371   1HB   ASN  50          1HB       ASN  50   7.600   1.928  -4.356
  372   2HB   ASN  50          2HB       ASN  50   7.585   3.457  -5.253
  373   1HD2  ASN  50          2HD2      ASN  50   9.758   1.880  -7.411
  374   2HD2  ASN  50          1HD2      ASN  50   8.221   2.391  -7.124
  375    H    LEU  51           H        LEU  51   7.372   5.576  -2.867
  376    HA   LEU  51           HA       LEU  51   5.351   4.220  -1.258
  377   1HB   LEU  51          1HB       LEU  51   7.025   4.843   0.299
  378   2HB   LEU  51          2HB       LEU  51   6.942   6.527  -0.248
  379    HG   LEU  51           HG       LEU  51   5.755   5.965   1.923
  380   1HD1  LEU  51          1HD1      LEU  51   4.104   7.155  -0.336
  381   2HD1  LEU  51          2HD1      LEU  51   3.811   7.392   1.395
  382   3HD1  LEU  51          3HD1      LEU  51   5.287   8.030   0.651
  383   1HD2  LEU  51          3HD2      LEU  51   3.840   4.556   0.097
  384   2HD2  LEU  51          1HD2      LEU  51   4.860   3.831   1.352
  385   3HD2  LEU  51          2HD2      LEU  51   3.563   4.951   1.802
  386    H    ASN  52           H        ASN  52   3.388   4.995  -1.667
  387    HA   ASN  52           HA       ASN  52   3.064   7.612  -2.932
  388   1HB   ASN  52          1HB       ASN  52   2.885   5.427  -4.461
  389   2HB   ASN  52          2HB       ASN  52   1.253   5.388  -3.773
  390   1HD2  ASN  52          2HD2      ASN  52   1.768   7.481  -6.935
  391   2HD2  ASN  52          1HD2      ASN  52   2.477   6.070  -6.470
  392    H    CYS  53           H        CYS  53   1.278   8.695  -2.245
  393    HA   CYS  53           HA       CYS  53  -0.371   7.457  -0.154
  394   1HB   CYS  53          1HB       CYS  53   0.501  10.287  -0.519
  395   2HB   CYS  53          2HB       CYS  53  -0.856   9.818   0.520
  396    H    CYS  54           H        CYS  54  -2.575   7.693  -0.305
  397    HA   CYS  54           HA       CYS  54  -3.870   9.239  -2.325
  398   1HB   CYS  54          1HB       CYS  54  -5.051   7.108  -3.205
  399   2HB   CYS  54          2HB       CYS  54  -3.462   7.549  -3.854
  400    NH1  ARG  55           NH2      ARG  55  -5.881  14.245   2.903
  401    NH2  ARG  55           NH1      ARG  55  -7.010  13.313   4.701
  402    H    ARG  55           H        ARG  55  -6.186   9.077  -2.143
  403    HA   ARG  55           HA       ARG  55  -7.069   8.177   0.508
  404   1HB   ARG  55          1HB       ARG  55  -7.841  10.721  -0.931
  405   2HB   ARG  55          2HB       ARG  55  -8.611  10.114   0.545
  406   1HG   ARG  55          1HG       ARG  55  -6.463  10.238   1.731
  407   2HG   ARG  55          2HG       ARG  55  -5.672  10.812   0.253
  408   1HD   ARG  55          1HD       ARG  55  -6.165  12.908   0.900
  409   2HD   ARG  55          2HD       ARG  55  -7.873  12.523   0.622
  410    HE   ARG  55           HE       ARG  55  -7.819  11.714   3.022
  411   1HH1  ARG  55          1HH2      ARG  55  -5.670  14.235   1.978
  412   2HH1  ARG  55          2HH2      ARG  55  -5.511  14.913   3.469
  413   1HH2  ARG  55          1HH1      ARG  55  -7.593  12.652   5.055
  414   2HH2  ARG  55          2HH1      ARG  55  -6.643  13.978   5.273
  415    H    THR  56           H        THR  56  -7.225   7.014  -2.245
  416    HA   THR  56           HA       THR  56 -10.128   6.916  -2.649
  417    HB   THR  56           HB       THR  56  -9.210   5.666  -4.822
  418    HG1  THR  56           HG1      THR  56  -6.999   6.477  -5.308
  419   1HG2  THR  56          1HG2      THR  56  -8.539   8.641  -4.399
  420   2HG2  THR  56          2HG2      THR  56  -8.814   7.854  -5.961
  421   3HG2  THR  56          3HG2      THR  56 -10.159   8.070  -4.829
  422    H    ASP  57           H        ASP  57 -11.230   5.047  -2.713
  423    HA   ASP  57           HA       ASP  57 -10.471   3.068  -0.852
  424   1HB   ASP  57          1HB       ASP  57 -12.802   3.700  -2.456
  425   2HB   ASP  57          2HB       ASP  57 -12.457   1.963  -2.500
  426    NH1  ARG  58           NH2      ARG  58 -12.538  -1.368  -4.646
  427    NH2  ARG  58           NH1      ARG  58 -12.297  -1.595  -6.941
  428    H    ARG  58           H        ARG  58  -9.371   1.259  -1.171
  429    HA   ARG  58           HA       ARG  58  -8.172  -0.433  -2.128
  430   1HB   ARG  58          1HB       ARG  58 -10.583  -0.632  -3.272
  431   2HB   ARG  58          2HB       ARG  58  -9.657  -0.155  -4.706
  432   1HG   ARG  58          1HG       ARG  58  -8.328  -2.074  -4.647
  433   2HG   ARG  58          2HG       ARG  58  -8.642  -2.360  -2.928
  434   1HD   ARG  58          1HD       ARG  58  -9.836  -4.014  -4.279
  435   2HD   ARG  58          2HD       ARG  58 -10.997  -2.939  -3.481
  436    HE   ARG  58           HE       ARG  58 -10.347  -2.959  -6.331
  437   1HH1  ARG  58          1HH2      ARG  58 -12.231  -1.564  -3.769
  438   2HH1  ARG  58          2HH2      ARG  58 -13.308  -0.825  -4.771
  439   1HH2  ARG  58          1HH1      ARG  58 -11.828  -1.946  -7.689
  440   2HH2  ARG  58          2HH1      ARG  58 -13.066  -1.054  -7.074
  441    H    CYS  59           H        CYS  59  -7.417   2.355  -2.440
  442    HA   CYS  59           HA       CYS  59  -6.318   2.772  -5.037
  443   1HB   CYS  59          1HB       CYS  59  -5.499   4.747  -4.325
  444   2HB   CYS  59          2HB       CYS  59  -6.939   4.538  -3.313
  445    H    ASN  60           H        ASN  60  -5.592   0.733  -2.529
  446    HA   ASN  60           HA       ASN  60  -2.709   0.719  -2.901
  447   1HB   ASN  60          1HB       ASN  60  -3.798  -1.451  -1.282
  448   2HB   ASN  60          2HB       ASN  60  -2.605  -0.214  -0.851
  449   1HD2  ASN  60          2HD2      ASN  60  -4.743   1.301   1.295
  450   2HD2  ASN  60          1HD2      ASN  60  -3.245   0.737   0.921
  451    H    ASN  61           H        ASN  61  -2.822   0.013  -5.096
  452    HA   ASN  61           HA       ASN  61  -2.974  -2.869  -5.360
  453   1HB   ASN  61          1HB       ASN  61  -4.370  -2.849  -7.302
  454   2HB   ASN  61          2HB       ASN  61  -5.216  -1.909  -6.060
  455   1HD2  ASN  61          2HD2      ASN  61  -5.050  -0.300  -9.481
  456   2HD2  ASN  61          1HD2      ASN  61  -5.311  -1.856  -9.016
   
  Start of MODEL          11
 Raw file had 456 H/Q atoms
  Start of MODEL   11
    1   1H    LEU   1          2H        LEU   1 -14.726   2.482   4.465
    2   2H    LEU   1          3H        LEU   1 -13.795   2.984   5.517
    3   3H    LEU   1          1H        LEU   1 -14.587   3.949   4.699
    4    HA   LEU   1           HA       LEU   1 -13.417   3.401   2.666
    5   1HB   LEU   1          1HB       LEU   1 -12.541   5.065   4.580
    6   2HB   LEU   1          2HB       LEU   1 -11.222   3.883   4.608
    7    HG   LEU   1           HG       LEU   1 -12.007   4.976   1.958
    8   1HD1  LEU   1          1HD1      LEU   1 -10.583   6.674   3.972
    9   2HD1  LEU   1          2HD1      LEU   1 -10.727   7.005   2.237
   10   3HD1  LEU   1          3HD1      LEU   1 -12.177   6.964   3.254
   11   1HD2  LEU   1          3HD2      LEU   1  -9.343   4.427   3.315
   12   2HD2  LEU   1          1HD2      LEU   1 -10.175   3.335   2.195
   13   3HD2  LEU   1          2HD2      LEU   1  -9.564   4.895   1.622
   14    H    GLU   2           H        GLU   2 -13.077   1.634   1.701
   15    HA   GLU   2           HA       GLU   2 -11.800  -0.601   3.067
   16   1HB   GLU   2          1HB       GLU   2 -14.016  -0.598   1.550
   17   2HB   GLU   2          2HB       GLU   2 -12.791  -1.016   0.340
   18   1HG   GLU   2          1HG       GLU   2 -11.961  -2.812   1.858
   19   2HG   GLU   2          2HG       GLU   2 -13.276  -2.428   2.984
   20    H    CYS   3           H        CYS   3  -9.715  -0.863   2.789
   21    HA   CYS   3           HA       CYS   3  -8.451  -0.063   0.268
   22   1HB   CYS   3          1HB       CYS   3  -7.209   0.045   3.025
   23   2HB   CYS   3          2HB       CYS   3  -6.410   0.457   1.497
   24    H    HIS   4           H        HIS   4  -6.538  -1.305  -0.241
   25    HA   HIS   4           HA       HIS   4  -7.047  -4.101   0.002
   26   1HB   HIS   4          1HB       HIS   4  -4.887  -2.475  -1.338
   27   2HB   HIS   4          2HB       HIS   4  -4.810  -4.245  -1.254
   28    HD2  HIS   4           HD2      HIS   4  -6.188  -1.570  -3.545
   29    HE1  HIS   4           HE1      HIS   4  -8.375  -5.092  -4.461
   30    H    ASN   5           H        ASN   5  -5.676  -5.658   0.842
   31    HA   ASN   5           HA       ASN   5  -4.036  -4.735   3.097
   32   1HB   ASN   5          1HB       ASN   5  -4.693  -7.005   4.123
   33   2HB   ASN   5          2HB       ASN   5  -5.928  -5.733   4.118
   34   1HD2  ASN   5          2HD2      ASN   5  -8.209  -7.436   2.271
   35   2HD2  ASN   5          1HD2      ASN   5  -7.802  -6.142   3.201
   36    H    GLN   6           H        GLN   6  -4.561  -7.101   0.578
   37    HA   GLN   6           HA       GLN   6  -2.538  -8.909   0.987
   38   1HB   GLN   6          1HB       GLN   6  -2.435  -8.992  -1.596
   39   2HB   GLN   6          2HB       GLN   6  -3.966  -9.413  -0.811
   40   1HG   GLN   6          1HG       GLN   6  -5.028  -7.518  -1.553
   41   2HG   GLN   6          2HG       GLN   6  -3.544  -6.549  -1.533
   42   1HE2  GLN   6          2HE2      GLN   6  -4.745  -7.235  -4.987
   43   2HE2  GLN   6          1HE2      GLN   6  -5.459  -6.666  -3.618
   44    H    GLN   7           H        GLN   7  -0.449  -9.101   0.218
   45    HA   GLN   7           HA       GLN   7   0.944  -6.623  -0.463
   46   1HB   GLN   7          1HB       GLN   7   1.844  -8.492   1.714
   47   2HB   GLN   7          2HB       GLN   7   2.709  -7.066   1.117
   48   1HG   GLN   7          1HG       GLN   7   1.238  -5.586   2.104
   49   2HG   GLN   7          2HG       GLN   7  -0.119  -6.725   2.034
   50   1HE2  GLN   7          2HE2      GLN   7   0.180  -7.267   5.380
   51   2HE2  GLN   7          1HE2      GLN   7  -0.728  -6.797   4.091
   52    H    SER   8           H        SER   8   3.011  -6.988  -1.423
   53    HA   SER   8           HA       SER   8   4.500  -7.966  -2.863
   54   1HB   SER   8          1HB       SER   8   3.615 -10.227  -1.169
   55   2HB   SER   8          2HB       SER   8   4.427 -10.609  -2.697
   56    HG   SER   8           HG       SER   8   5.952 -10.484  -0.891
   57    H    SER   9           H        SER   9   2.549 -10.788  -3.057
   58    HA   SER   9           HA       SER   9   1.206  -9.884  -5.483
   59   1HB   SER   9          1HB       SER   9   1.775 -12.135  -6.514
   60   2HB   SER   9          2HB       SER   9   3.111 -10.976  -6.401
   61    HG   SER   9           HG       SER   9   3.783 -13.164  -5.794
   62    H    GLN  10           H        GLN  10   0.255 -10.288  -2.842
   63    HA   GLN  10           HA       GLN  10  -1.093 -12.758  -2.564
   64   1HB   GLN  10          1HB       GLN  10  -0.866 -10.322  -1.047
   65   2HB   GLN  10          2HB       GLN  10  -2.532 -10.924  -1.079
   66   1HG   GLN  10          1HG       GLN  10  -1.972 -12.929  -0.047
   67   2HG   GLN  10          2HG       GLN  10  -0.283 -12.851  -0.580
   68   1HE2  GLN  10          2HE2      GLN  10   0.465 -12.065   2.681
   69   2HE2  GLN  10          1HE2      GLN  10   0.487 -13.191   1.481
   70    HA   PRO  11           HA       PRO  11  -4.735 -12.090  -4.826
   71   1HB   PRO  11          1HB       PRO  11  -6.780 -12.812  -3.089
   72   2HB   PRO  11          2HB       PRO  11  -5.757 -13.945  -3.989
   73   1HG   PRO  11          1HG       PRO  11  -5.725 -13.270  -1.121
   74   2HG   PRO  11          2HG       PRO  11  -5.035 -14.675  -1.953
   75   1HD   PRO  11          2HD       PRO  11  -3.639 -12.382  -0.968
   76   2HD   PRO  11          1HD       PRO  11  -2.969 -13.729  -1.903
   77    HA   PRO  12           HA       PRO  12  -6.651  -8.250  -4.045
   78   1HB   PRO  12          1HB       PRO  12  -9.176  -8.578  -5.156
   79   2HB   PRO  12          2HB       PRO  12  -7.703  -8.276  -6.092
   80   1HG   PRO  12          1HG       PRO  12  -9.258 -10.761  -5.808
   81   2HG   PRO  12          2HG       PRO  12  -8.066 -10.318  -7.042
   82   1HD   PRO  12          2HD       PRO  12  -7.692 -12.075  -4.815
   83   2HD   PRO  12          1HD       PRO  12  -6.469 -11.540  -5.981
   84    H    THR  13           H        THR  13  -6.690  -8.277  -1.847
   85    HA   THR  13           HA       THR  13  -9.281  -8.888  -0.609
   86    HB   THR  13           HB       THR  13  -7.728  -9.141   1.502
   87    HG1  THR  13           HG1      THR  13  -5.584  -9.953   0.778
   88   1HG2  THR  13          1HG2      THR  13  -7.557 -11.176  -0.803
   89   2HG2  THR  13          2HG2      THR  13  -7.340 -11.539   0.917
   90   3HG2  THR  13          3HG2      THR  13  -8.938 -11.084   0.303
   91    H    THR  14           H        THR  14 -10.167  -7.351   0.660
   92    HA   THR  14           HA       THR  14  -8.721  -4.841   1.123
   93    HB   THR  14           HB       THR  14 -11.662  -4.793   0.459
   94    HG1  THR  14           HG1      THR  14 -11.040  -4.778  -1.864
   95   1HG2  THR  14          1HG2      THR  14  -9.263  -3.104  -0.478
   96   2HG2  THR  14          2HG2      THR  14 -10.971  -2.702  -0.722
   97   3HG2  THR  14          3HG2      THR  14 -10.276  -2.658   0.906
   98    H    LYS  15           H        LYS  15  -9.789  -3.486   2.736
   99    HA   LYS  15           HA       LYS  15 -11.392  -4.810   4.733
  100   1HB   LYS  15          1HB       LYS  15  -8.913  -5.488   4.997
  101   2HB   LYS  15          2HB       LYS  15  -8.785  -3.902   5.776
  102   1HG   LYS  15          1HG       LYS  15 -11.166  -5.191   6.719
  103   2HG   LYS  15          2HG       LYS  15  -9.816  -6.329   6.867
  104   1HD   LYS  15          1HD       LYS  15  -8.506  -4.540   8.030
  105   2HD   LYS  15          2HD       LYS  15  -9.946  -3.508   7.980
  106   1HE   LYS  15          1HE       LYS  15 -10.618  -4.447   9.904
  107   2HE   LYS  15          2HE       LYS  15 -10.799  -5.985   9.041
  108   1HZ   LYS  15          1HZ       LYS  15  -8.326  -5.133  10.354
  109   2HZ   LYS  15          2HZ       LYS  15  -9.234  -6.188  10.891
  110   3HZ   LYS  15          3HZ       LYS  15  -8.479  -6.427   9.627
  111    H    THR  16           H        THR  16 -12.115  -3.329   6.330
  112    HA   THR  16           HA       THR  16 -12.208  -0.575   5.411
  113    HB   THR  16           HB       THR  16 -13.860  -2.102   7.405
  114    HG1  THR  16           HG1      THR  16 -15.464  -1.668   5.530
  115   1HG2  THR  16          3HG2      THR  16 -13.794   0.289   8.007
  116   2HG2  THR  16          1HG2      THR  16 -14.233   0.719   6.346
  117   3HG2  THR  16          2HG2      THR  16 -15.380  -0.168   7.363
  118    H    CYS  17           H        CYS  17 -11.073   0.954   6.359
  119    HA   CYS  17           HA       CYS  17  -9.696   0.409   8.874
  120   1HB   CYS  17          1HB       CYS  17  -9.194   2.422   6.682
  121   2HB   CYS  17          2HB       CYS  17  -8.403   2.510   8.265
  122    H    SER  18           H        SER  18  -9.751   1.907  10.540
  123    HA   SER  18           HA       SER  18 -12.016   3.773  10.502
  124   1HB   SER  18          1HB       SER  18 -12.275   1.543  11.822
  125   2HB   SER  18          2HB       SER  18 -11.264   2.369  13.021
  126    HG   SER  18           HG       SER  18 -13.572   2.643  13.470
  127    H    GLY  19           H        GLY  19 -11.704   5.679  11.568
  128   1HA   GLY  19          1HA       GLY  19 -10.663   7.312  12.857
  129   2HA   GLY  19          2HA       GLY  19  -9.301   6.200  13.084
  130    H    GLU  20           H        GLU  20  -8.819   5.596  10.404
  131    HA   GLU  20           HA       GLU  20  -7.770   8.143   9.401
  132   1HB   GLU  20          1HB       GLU  20  -6.075   6.502  10.117
  133   2HB   GLU  20          2HB       GLU  20  -6.660   5.405   8.855
  134   1HG   GLU  20          1HG       GLU  20  -4.637   6.920   8.303
  135   2HG   GLU  20          2HG       GLU  20  -5.954   6.828   7.121
  136    H    THR  21           H        THR  21  -8.533   8.835   7.540
  137    HA   THR  21           HA       THR  21 -10.116   7.047   5.847
  138    HB   THR  21           HB       THR  21 -11.182   9.145   5.035
  139    HG1  THR  21           HG1      THR  21 -10.614  11.119   6.288
  140   1HG2  THR  21          3HG2      THR  21 -12.094   7.986   7.157
  141   2HG2  THR  21          1HG2      THR  21 -11.009   9.015   8.107
  142   3HG2  THR  21          2HG2      THR  21 -12.328   9.742   7.174
  143    H    ASN  22           H        ASN  22  -7.337   6.935   5.683
  144    HA   ASN  22           HA       ASN  22  -6.927   7.694   2.918
  145   1HB   ASN  22          1HB       ASN  22  -4.994   8.469   5.125
  146   2HB   ASN  22          2HB       ASN  22  -4.686   8.623   3.387
  147   1HD2  ASN  22          2HD2      ASN  22  -7.412  11.024   5.281
  148   2HD2  ASN  22          1HD2      ASN  22  -7.044   9.526   5.854
  149    H    CYS  23           H        CYS  23  -5.023   6.593   2.044
  150    HA   CYS  23           HA       CYS  23  -3.872   4.402   3.553
  151   1HB   CYS  23          1HB       CYS  23  -5.382   3.816   1.039
  152   2HB   CYS  23          2HB       CYS  23  -4.500   2.680   2.074
  153    OH   TYR  24           OH       TYR  24   2.428   1.731   5.880
  154    H    TYR  24           H        TYR  24  -2.056   3.516   2.441
  155    HA   TYR  24           HA       TYR  24  -1.043   4.990   0.117
  156   1HB   TYR  24          1HB       TYR  24   1.008   5.441   1.254
  157   2HB   TYR  24          2HB       TYR  24  -0.284   5.915   2.370
  158    HD1  TYR  24           HD2      TYR  24  -0.882   4.364   4.266
  159    HD2  TYR  24           HD1      TYR  24   2.603   3.809   1.863
  160    HE1  TYR  24           HE2      TYR  24   0.121   2.866   6.053
  161    HE2  TYR  24           HE1      TYR  24   3.594   2.312   3.656
  162    HH   TYR  24           HH       TYR  24   1.736   1.651   6.711
  163    H    LYS  25           H        LYS  25   0.756   3.897  -0.892
  164    HA   LYS  25           HA       LYS  25   1.026   1.046  -0.288
  165   1HB   LYS  25          1HB       LYS  25   1.194   0.813  -2.883
  166   2HB   LYS  25          2HB       LYS  25  -0.408   0.921  -2.134
  167   1HG   LYS  25          1HG       LYS  25  -0.830   2.984  -3.013
  168   2HG   LYS  25          2HG       LYS  25   0.860   3.501  -2.881
  169   1HD   LYS  25          1HD       LYS  25   1.042   3.173  -5.093
  170   2HD   LYS  25          2HD       LYS  25   0.886   1.436  -4.779
  171   1HE   LYS  25          1HE       LYS  25  -0.757   2.107  -6.447
  172   2HE   LYS  25          2HE       LYS  25  -1.589   1.665  -4.945
  173   1HZ   LYS  25          3HZ       LYS  25  -1.751   4.051  -4.498
  174   2HZ   LYS  25          1HZ       LYS  25  -1.052   4.424  -5.761
  175   3HZ   LYS  25          2HZ       LYS  25  -2.399   3.787  -5.815
  176    H    LYS  26           H        LYS  26   2.940   0.089  -0.907
  177    HA   LYS  26           HA       LYS  26   5.156   1.781  -1.699
  178   1HB   LYS  26          1HB       LYS  26   6.420   0.810   0.364
  179   2HB   LYS  26          2HB       LYS  26   5.515   2.332   0.415
  180   1HG   LYS  26          1HG       LYS  26   3.891   1.477   1.770
  181   2HG   LYS  26          2HG       LYS  26   3.962  -0.126   1.021
  182   1HD   LYS  26          1HD       LYS  26   4.747  -0.210   3.350
  183   2HD   LYS  26          2HD       LYS  26   6.059  -0.600   2.224
  184   1HE   LYS  26          1HE       LYS  26   6.698   1.885   2.370
  185   2HE   LYS  26          2HE       LYS  26   5.609   1.966   3.766
  186   1HZ   LYS  26          3HZ       LYS  26   7.006   0.248   4.776
  187   2HZ   LYS  26          1HZ       LYS  26   7.923   0.181   3.602
  188   3HZ   LYS  26          2HZ       LYS  26   7.878   1.411   4.443
  189    CH2  TRP  27           CH2      TRP  27   4.356   3.077  -5.986
  190    H    TRP  27           H        TRP  27   6.752   0.620  -2.658
  191    HA   TRP  27           HA       TRP  27   6.907  -2.251  -2.473
  192   1HB   TRP  27          1HB       TRP  27   6.664  -2.634  -4.866
  193   2HB   TRP  27          2HB       TRP  27   5.181  -1.935  -4.193
  194    HD1  TRP  27           HD1      TRP  27   7.686  -1.365  -6.924
  195    HE1  TRP  27           HE1      TRP  27   7.184   0.828  -8.138
  196    HE3  TRP  27           HE3      TRP  27   4.306   0.532  -3.650
  197    HZ2  TRP  27           HZ2      TRP  27   5.562   3.122  -7.798
  198    HZ3  TRP  27           HZ3      TRP  27   3.308   2.756  -4.166
  199    HH2  TRP  27           HH2      TRP  27   3.890   4.041  -6.157
  200    CH2  TRP  28           CH2      TRP  28   9.281  -4.344   1.771
  201    H    TRP  28           H        TRP  28   8.800  -3.059  -3.542
  202    HA   TRP  28           HA       TRP  28  10.837  -1.241  -4.435
  203   1HB   TRP  28          1HB       TRP  28  12.370  -1.427  -2.725
  204   2HB   TRP  28          2HB       TRP  28  10.834  -0.968  -1.971
  205    HD1  TRP  28           HD1      TRP  28  13.233  -3.981  -2.223
  206    HE1  TRP  28           HE1      TRP  28  12.720  -5.591  -0.303
  207    HE3  TRP  28           HE3      TRP  28   9.079  -1.685  -0.425
  208    HZ2  TRP  28           HZ2      TRP  28  10.801  -5.901   1.755
  209    HZ3  TRP  28           HZ3      TRP  28   7.946  -2.707   1.543
  210    HH2  TRP  28           HH2      TRP  28   8.745  -4.742   2.625
  211    H    SER  29           H        SER  29  12.117  -2.336  -5.781
  212    HA   SER  29           HA       SER  29  11.710  -5.167  -6.177
  213   1HB   SER  29          1HB       SER  29  13.135  -4.870  -8.171
  214   2HB   SER  29          2HB       SER  29  11.772  -3.738  -8.156
  215    HG   SER  29           HG       SER  29  13.781  -2.696  -8.851
  216    H    ASP  30           H        ASP  30  13.378  -6.673  -6.232
  217    HA   ASP  30           HA       ASP  30  15.668  -6.025  -4.509
  218   1HB   ASP  30          1HB       ASP  30  15.660  -8.269  -3.718
  219   2HB   ASP  30          2HB       ASP  30  13.995  -7.673  -3.593
  220    H    HIS  31           H        HIS  31  17.021  -8.411  -4.978
  221    HA   HIS  31           HA       HIS  31  18.665  -7.881  -7.100
  222   1HB   HIS  31          1HB       HIS  31  18.343 -10.022  -5.249
  223   2HB   HIS  31          2HB       HIS  31  18.761 -10.625  -6.863
  224    HD2  HIS  31           HD2      HIS  31  20.283  -7.225  -5.651
  225    HE1  HIS  31           HE1      HIS  31  23.380 -10.129  -5.691
  226    NH1  ARG  32           NH2      ARG  32  17.412 -15.065 -13.537
  227    NH2  ARG  32           NH1      ARG  32  15.405 -16.210 -13.715
  228    H    ARG  32           H        ARG  32  16.319 -10.538  -7.064
  229    HA   ARG  32           HA       ARG  32  15.615  -9.962  -9.840
  230   1HB   ARG  32          1HB       ARG  32  17.218 -11.772  -9.987
  231   2HB   ARG  32          2HB       ARG  32  16.379 -12.672  -8.713
  232   1HG   ARG  32          1HG       ARG  32  14.820 -13.472 -10.143
  233   2HG   ARG  32          2HG       ARG  32  14.645 -11.912 -10.966
  234   1HD   ARG  32          1HD       ARG  32  16.297 -12.387 -12.512
  235   2HD   ARG  32          2HD       ARG  32  17.161 -13.476 -11.414
  236    HE   ARG  32           HE       ARG  32  14.586 -14.468 -12.190
  237   1HH1  ARG  32          1HH2      ARG  32  17.912 -14.342 -13.176
  238   2HH1  ARG  32          2HH2      ARG  32  17.831 -15.687 -14.121
  239   1HH2  ARG  32          1HH1      ARG  32  14.488 -16.305 -13.486
  240   2HH2  ARG  32          2HH1      ARG  32  15.816 -16.836 -14.300
  241    H    GLY  33           H        GLY  33  14.021  -9.085  -7.984
  242   1HA   GLY  33          1HA       GLY  33  11.602 -10.530  -8.371
  243   2HA   GLY  33          2HA       GLY  33  12.163 -10.591  -6.691
  244    H    THR  34           H        THR  34   9.931  -9.472  -6.681
  245    HA   THR  34           HA       THR  34  10.380  -6.628  -6.307
  246    HB   THR  34           HB       THR  34   8.206  -7.795  -8.084
  247    HG1  THR  34           HG1      THR  34   9.437  -6.306  -9.681
  248   1HG2  THR  34          3HG2      THR  34   7.361  -5.860  -6.810
  249   2HG2  THR  34          1HG2      THR  34   8.744  -4.897  -7.355
  250   3HG2  THR  34          2HG2      THR  34   7.546  -5.466  -8.528
  251    H    ILE  35           H        ILE  35   9.733  -6.078  -4.444
  252    HA   ILE  35           HA       ILE  35   7.804  -7.727  -2.999
  253    HB   ILE  35           HB       ILE  35   9.783  -5.741  -1.963
  254   1HG1  ILE  35          1HG1      ILE  35  10.763  -7.861  -2.767
  255   2HG1  ILE  35          2HG1      ILE  35  10.836  -7.739  -1.001
  256   1HG2  ILE  35          3HG2      ILE  35   7.808  -5.624  -0.638
  257   2HG2  ILE  35          1HG2      ILE  35   7.772  -7.388  -0.471
  258   3HG2  ILE  35          2HG2      ILE  35   9.100  -6.458   0.243
  259   1HD1  ILE  35          3HD1      ILE  35   8.826  -9.165  -0.819
  260   2HD1  ILE  35          1HD1      ILE  35   8.754  -9.287  -2.585
  261   3HD1  ILE  35          2HD1      ILE  35  10.118  -9.993  -1.705
  262    H    ILE  36           H        ILE  36   5.922  -6.891  -2.267
  263    HA   ILE  36           HA       ILE  36   5.288  -4.083  -2.796
  264    HB   ILE  36           HB       ILE  36   3.367  -6.371  -3.308
  265   1HG1  ILE  36          1HG1      ILE  36   5.319  -6.550  -4.774
  266   2HG1  ILE  36          2HG1      ILE  36   3.779  -6.284  -5.607
  267   1HG2  ILE  36          3HG2      ILE  36   2.335  -4.175  -2.842
  268   2HG2  ILE  36          1HG2      ILE  36   3.325  -3.440  -4.113
  269   3HG2  ILE  36          2HG2      ILE  36   2.098  -4.647  -4.533
  270   1HD1  ILE  36          1HD1      ILE  36   5.859  -4.150  -5.004
  271   2HD1  ILE  36          2HD1      ILE  36   5.567  -4.893  -6.585
  272   3HD1  ILE  36          3HD1      ILE  36   4.319  -3.884  -5.837
  273    H    GLU  37           H        GLU  37   3.800  -3.139  -1.476
  274    HA   GLU  37           HA       GLU  37   2.725  -4.507   0.796
  275   1HB   GLU  37          1HB       GLU  37   5.003  -4.197   1.605
  276   2HB   GLU  37          2HB       GLU  37   4.956  -2.482   1.160
  277   1HG   GLU  37          1HG       GLU  37   4.574  -2.748   3.565
  278   2HG   GLU  37          2HG       GLU  37   3.114  -2.126   2.775
  279    NH1  ARG  38           NH2      ARG  38  -2.459  -4.480  -2.176
  280    NH2  ARG  38           NH1      ARG  38  -1.929  -4.525  -4.432
  281    H    ARG  38           H        ARG  38   1.081  -3.480   1.700
  282    HA   ARG  38           HA       ARG  38   0.505  -0.722   0.969
  283   1HB   ARG  38          1HB       ARG  38  -1.376  -3.059   0.515
  284   2HB   ARG  38          2HB       ARG  38  -1.865  -1.357   0.459
  285   1HG   ARG  38          1HG       ARG  38  -1.456  -1.781  -1.786
  286   2HG   ARG  38          2HG       ARG  38   0.118  -1.154  -1.264
  287   1HD   ARG  38          1HD       ARG  38   1.151  -3.135  -1.624
  288   2HD   ARG  38          2HD       ARG  38  -0.173  -4.059  -0.893
  289    HE   ARG  38           HE       ARG  38   0.170  -3.491  -3.684
  290   1HH1  ARG  38          1HH2      ARG  38  -2.219  -4.260  -1.284
  291   2HH1  ARG  38          2HH2      ARG  38  -3.302  -4.879  -2.356
  292   1HH2  ARG  38          1HH1      ARG  38  -1.323  -4.341  -5.140
  293   2HH2  ARG  38          2HH1      ARG  38  -2.771  -4.925  -4.619
  294    H    GLY  39           H        GLY  39  -1.207   0.197   2.255
  295   1HA   GLY  39          1HA       GLY  39  -2.326  -1.045   4.512
  296   2HA   GLY  39          2HA       GLY  39  -0.878  -0.136   4.977
  297    H    CYS  40           H        CYS  40  -2.831   0.858   6.193
  298    HA   CYS  40           HA       CYS  40  -4.188   2.928   4.640
  299   1HB   CYS  40          1HB       CYS  40  -4.755   1.622   7.222
  300   2HB   CYS  40          2HB       CYS  40  -5.259   3.305   6.989
  301    H    GLY  41           H        GLY  41  -4.063   5.097   5.376
  302   1HA   GLY  41          1HA       GLY  41  -3.203   6.871   6.697
  303   2HA   GLY  41          2HA       GLY  41  -1.886   5.793   7.189
  304    H    CYS  42           H        CYS  42  -0.620   7.724   6.576
  305    HA   CYS  42           HA       CYS  42   0.394   7.459   3.875
  306   1HB   CYS  42          1HB       CYS  42  -1.307   9.107   3.561
  307   2HB   CYS  42          2HB       CYS  42  -0.631  10.089   4.872
  308    HA   PRO  43           HA       PRO  43   3.581   8.019   7.044
  309   1HB   PRO  43          1HB       PRO  43   5.294   6.093   6.003
  310   2HB   PRO  43          2HB       PRO  43   4.080   5.806   7.261
  311   1HG   PRO  43          1HG       PRO  43   4.053   5.017   4.423
  312   2HG   PRO  43          2HG       PRO  43   3.091   4.389   5.773
  313   1HD   PRO  43          2HD       PRO  43   2.239   6.193   3.724
  314   2HD   PRO  43          1HD       PRO  43   1.315   5.657   5.139
  315    H    LYS  44           H        LYS  44   6.093   8.193   6.572
  316    HA   LYS  44           HA       LYS  44   6.364  10.211   4.516
  317   1HB   LYS  44          1HB       LYS  44   7.293  10.715   6.717
  318   2HB   LYS  44          2HB       LYS  44   8.280   9.244   6.664
  319   1HG   LYS  44          1HG       LYS  44   9.227  10.273   4.451
  320   2HG   LYS  44          2HG       LYS  44   8.583  11.795   5.094
  321   1HD   LYS  44          1HD       LYS  44  10.204  10.123   6.955
  322   2HD   LYS  44          2HD       LYS  44  11.072  10.926   5.634
  323   1HE   LYS  44          1HE       LYS  44  11.086  12.786   6.893
  324   2HE   LYS  44          2HE       LYS  44   9.333  12.882   6.650
  325   1HZ   LYS  44          1HZ       LYS  44  10.596  11.480   8.887
  326   2HZ   LYS  44          2HZ       LYS  44   9.896  12.791   9.014
  327   3HZ   LYS  44          3HZ       LYS  44   9.121  11.560   8.682
  328    H    VAL  45           H        VAL  45   7.094   9.934   2.623
  329    HA   VAL  45           HA       VAL  45   7.975   7.338   1.752
  330    HB   VAL  45           HB       VAL  45   6.419   8.785   0.404
  331   1HG1  VAL  45          3HG1      VAL  45   7.340  10.941   0.916
  332   2HG1  VAL  45          1HG1      VAL  45   8.834  10.540   0.053
  333   3HG1  VAL  45          2HG1      VAL  45   7.306  10.675  -0.834
  334   1HG2  VAL  45          3HG2      VAL  45   9.073   8.134  -0.930
  335   2HG2  VAL  45          1HG2      VAL  45   7.732   7.001  -0.691
  336   3HG2  VAL  45          2HG2      VAL  45   7.532   8.396  -1.764
  337    H    LYS  46           H        LYS  46   9.907   6.690   2.046
  338    HA   LYS  46           HA       LYS  46  12.118   8.543   2.343
  339   1HB   LYS  46          1HB       LYS  46  12.817   7.161   3.835
  340   2HB   LYS  46          2HB       LYS  46  11.487   6.048   3.469
  341   1HG   LYS  46          1HG       LYS  46  12.832   5.048   1.654
  342   2HG   LYS  46          2HG       LYS  46  14.163   6.153   2.037
  343   1HD   LYS  46          1HD       LYS  46  14.915   4.641   3.512
  344   2HD   LYS  46          2HD       LYS  46  13.459   4.930   4.478
  345   1HE   LYS  46          1HE       LYS  46  12.774   2.839   4.054
  346   2HE   LYS  46          2HE       LYS  46  12.729   3.213   2.323
  347   1HZ   LYS  46          1HZ       LYS  46  15.107   2.233   3.718
  348   2HZ   LYS  46          2HZ       LYS  46  14.280   1.401   2.797
  349   3HZ   LYS  46          3HZ       LYS  46  15.069   2.547   2.261
  350    HA   PRO  47           HA       PRO  47  13.583   7.863  -1.722
  351   1HB   PRO  47          1HB       PRO  47  16.279   8.393  -1.327
  352   2HB   PRO  47          2HB       PRO  47  15.032   9.638  -1.509
  353   1HG   PRO  47          1HG       PRO  47  16.484   8.789   0.910
  354   2HG   PRO  47          2HG       PRO  47  15.574  10.280   0.612
  355   1HD   PRO  47          2HD       PRO  47  14.741   8.014   2.142
  356   2HD   PRO  47          1HD       PRO  47  13.787   9.453   1.745
  357    H    GLY  48           H        GLY  48  14.222   6.247  -2.933
  358   1HA   GLY  48          1HA       GLY  48  15.687   4.432  -3.494
  359   2HA   GLY  48          2HA       GLY  48  15.836   4.107  -1.757
  360    H    VAL  49           H        VAL  49  12.972   4.488  -1.329
  361    HA   VAL  49           HA       VAL  49  11.994   1.939  -2.405
  362    HB   VAL  49           HB       VAL  49  11.188   3.263   0.165
  363   1HG1  VAL  49          3HG1      VAL  49   9.413   1.952  -0.780
  364   2HG1  VAL  49          1HG1      VAL  49  10.504   0.572  -0.985
  365   3HG1  VAL  49          2HG1      VAL  49  10.100   1.146   0.641
  366   1HG2  VAL  49          3HG2      VAL  49  13.020   0.894  -0.361
  367   2HG2  VAL  49          1HG2      VAL  49  13.530   2.480   0.242
  368   3HG2  VAL  49          2HG2      VAL  49  12.480   1.452   1.231
  369    H    ASN  50           H        ASN  50   9.924   1.871  -3.213
  370    HA   ASN  50           HA       ASN  50   8.851   4.357  -4.211
  371   1HB   ASN  50          1HB       ASN  50   7.886   1.513  -4.655
  372   2HB   ASN  50          2HB       ASN  50   7.334   2.956  -5.524
  373   1HD2  ASN  50          2HD2      ASN  50  10.308   0.858  -6.927
  374   2HD2  ASN  50          1HD2      ASN  50   9.122   0.355  -5.902
  375    H    LEU  51           H        LEU  51   7.082   5.300  -3.403
  376    HA   LEU  51           HA       LEU  51   5.119   3.876  -1.829
  377   1HB   LEU  51          1HB       LEU  51   6.959   4.457  -0.290
  378   2HB   LEU  51          2HB       LEU  51   6.522   6.156  -0.540
  379    HG   LEU  51           HG       LEU  51   4.591   4.076   0.493
  380   1HD1  LEU  51          1HD1      LEU  51   6.339   5.896   2.108
  381   2HD1  LEU  51          2HD1      LEU  51   5.000   4.913   2.723
  382   3HD1  LEU  51          3HD1      LEU  51   6.421   4.129   2.015
  383   1HD2  LEU  51          3HD2      LEU  51   4.575   7.116   0.557
  384   2HD2  LEU  51          1HD2      LEU  51   3.571   6.100  -0.491
  385   3HD2  LEU  51          2HD2      LEU  51   3.343   6.060   1.265
  386    H    ASN  52           H        ASN  52   3.165   4.806  -2.020
  387    HA   ASN  52           HA       ASN  52   2.923   7.496  -3.137
  388   1HB   ASN  52          1HB       ASN  52   2.674   5.614  -4.895
  389   2HB   ASN  52          2HB       ASN  52   1.148   5.241  -4.075
  390   1HD2  ASN  52          2HD2      ASN  52   0.689   7.587  -6.924
  391   2HD2  ASN  52          1HD2      ASN  52   1.454   6.142  -6.742
  392    H    CYS  53           H        CYS  53   1.222   8.606  -2.306
  393    HA   CYS  53           HA       CYS  53  -0.475   7.266  -0.329
  394   1HB   CYS  53          1HB       CYS  53   0.646  10.053  -0.447
  395   2HB   CYS  53          2HB       CYS  53  -0.814   9.696   0.491
  396    H    CYS  54           H        CYS  54  -2.631   7.582  -0.382
  397    HA   CYS  54           HA       CYS  54  -3.899   9.335  -2.254
  398   1HB   CYS  54          1HB       CYS  54  -5.186   7.351  -3.270
  399   2HB   CYS  54          2HB       CYS  54  -3.564   7.710  -3.886
  400    NH1  ARG  55           NH2      ARG  55  -7.112  15.019   0.156
  401    NH2  ARG  55           NH1      ARG  55  -4.903  15.336   0.782
  402    H    ARG  55           H        ARG  55  -6.253   9.154  -2.073
  403    HA   ARG  55           HA       ARG  55  -7.074   8.225   0.585
  404   1HB   ARG  55          1HB       ARG  55  -8.229  10.637  -0.834
  405   2HB   ARG  55          2HB       ARG  55  -8.469  10.143   0.851
  406   1HG   ARG  55          1HG       ARG  55  -5.948  10.460   1.146
  407   2HG   ARG  55          2HG       ARG  55  -5.970  11.272  -0.429
  408   1HD   ARG  55          1HD       ARG  55  -7.834  12.752   0.566
  409   2HD   ARG  55          2HD       ARG  55  -7.331  12.109   2.139
  410    HE   ARG  55           HE       ARG  55  -5.065  13.005   1.538
  411   1HH1  ARG  55          1HH2      ARG  55  -7.873  14.453   0.099
  412   2HH1  ARG  55          2HH2      ARG  55  -7.159  15.911  -0.169
  413   1HH2  ARG  55          1HH1      ARG  55  -4.100  15.004   1.165
  414   2HH2  ARG  55          2HH1      ARG  55  -4.941  16.229   0.459
  415    H    THR  56           H        THR  56  -7.264   7.186  -2.274
  416    HA   THR  56           HA       THR  56 -10.169   6.889  -2.500
  417    HB   THR  56           HB       THR  56  -9.359   5.813  -4.752
  418    HG1  THR  56           HG1      THR  56  -7.195   6.929  -5.339
  419   1HG2  THR  56          1HG2      THR  56  -9.014   8.795  -4.293
  420   2HG2  THR  56          2HG2      THR  56  -9.240   8.005  -5.862
  421   3HG2  THR  56          3HG2      THR  56 -10.541   7.976  -4.659
  422    H    ASP  57           H        ASP  57 -11.140   4.939  -2.637
  423    HA   ASP  57           HA       ASP  57 -10.222   2.958  -0.874
  424   1HB   ASP  57          1HB       ASP  57 -12.545   3.365  -2.617
  425   2HB   ASP  57          2HB       ASP  57 -12.054   1.667  -2.484
  426    NH1  ARG  58           NH2      ARG  58 -11.963  -5.340  -3.925
  427    NH2  ARG  58           NH1      ARG  58 -13.680  -4.320  -2.749
  428    H    ARG  58           H        ARG  58  -9.249   1.033  -1.265
  429    HA   ARG  58           HA       ARG  58  -7.767  -0.418  -2.250
  430   1HB   ARG  58          1HB       ARG  58 -10.065  -0.178  -4.138
  431   2HB   ARG  58          2HB       ARG  58  -8.616  -1.055  -4.661
  432   1HG   ARG  58          1HG       ARG  58  -8.765  -2.471  -2.632
  433   2HG   ARG  58          2HG       ARG  58 -10.245  -1.618  -2.161
  434   1HD   ARG  58          1HD       ARG  58 -10.571  -2.476  -4.863
  435   2HD   ARG  58          2HD       ARG  58  -9.958  -3.856  -3.934
  436    HE   ARG  58           HE       ARG  58 -12.211  -2.355  -2.835
  437   1HH1  ARG  58          1HH2      ARG  58 -11.105  -5.287  -4.330
  438   2HH1  ARG  58          2HH2      ARG  58 -12.450  -6.155  -3.950
  439   1HH2  ARG  58          1HH1      ARG  58 -14.044  -3.554  -2.322
  440   2HH2  ARG  58          2HH1      ARG  58 -14.174  -5.132  -2.770
  441    H    CYS  59           H        CYS  59  -7.427   2.522  -2.663
  442    HA   CYS  59           HA       CYS  59  -6.382   2.973  -5.271
  443   1HB   CYS  59          1HB       CYS  59  -5.706   5.064  -4.576
  444   2HB   CYS  59          2HB       CYS  59  -7.257   4.748  -3.779
  445    H    ASN  60           H        ASN  60  -5.216   1.719  -2.267
  446    HA   ASN  60           HA       ASN  60  -2.433   1.751  -3.119
  447   1HB   ASN  60          1HB       ASN  60  -1.990   0.784  -0.863
  448   2HB   ASN  60          2HB       ASN  60  -2.831   2.341  -0.781
  449   1HD2  ASN  60          2HD2      ASN  60  -4.520   0.337   1.636
  450   2HD2  ASN  60          1HD2      ASN  60  -3.100   1.137   1.410
  451    H    ASN  61           H        ASN  61  -2.729   0.250  -4.829
  452    HA   ASN  61           HA       ASN  61  -2.832  -2.542  -3.957
  453   1HB   ASN  61          1HB       ASN  61  -4.167  -3.198  -5.812
  454   2HB   ASN  61          2HB       ASN  61  -4.988  -1.788  -5.122
  455   1HD2  ASN  61          2HD2      ASN  61  -5.022  -0.066  -8.033
  456   2HD2  ASN  61          1HD2      ASN  61  -5.680  -0.437  -6.571
   
  Start of MODEL          12
 Raw file had 456 H/Q atoms
  Start of MODEL   12
    1   1H    LEU   1          1H        LEU   1 -13.396   3.240   6.047
    2   2H    LEU   1          2H        LEU   1 -14.257   4.120   5.205
    3   3H    LEU   1          3H        LEU   1 -14.452   2.642   5.182
    4    HA   LEU   1           HA       LEU   1 -13.339   3.278   3.139
    5   1HB   LEU   1          1HB       LEU   1 -12.401   5.248   4.470
    6   2HB   LEU   1          2HB       LEU   1 -11.040   4.151   4.766
    7    HG   LEU   1           HG       LEU   1 -11.789   4.248   1.953
    8   1HD1  LEU   1          3HD1      LEU   1 -12.549   6.457   2.413
    9   2HD1  LEU   1          1HD1      LEU   1 -11.017   6.855   3.209
   10   3HD1  LEU   1          2HD1      LEU   1 -11.048   6.496   1.475
   11   1HD2  LEU   1          3HD2      LEU   1  -9.232   4.916   3.456
   12   2HD2  LEU   1          1HD2      LEU   1  -9.664   3.323   2.811
   13   3HD2  LEU   1          2HD2      LEU   1  -9.371   4.676   1.706
   14    H    GLU   2           H        GLU   2 -12.635   1.451   2.300
   15    HA   GLU   2           HA       GLU   2 -11.307  -0.530   3.993
   16   1HB   GLU   2          1HB       GLU   2 -12.041  -2.205   2.410
   17   2HB   GLU   2          2HB       GLU   2 -13.438  -1.211   2.860
   18   1HG   GLU   2          1HG       GLU   2 -13.060   0.146   0.784
   19   2HG   GLU   2          2HG       GLU   2 -11.793  -1.002   0.319
   20    H    CYS   3           H        CYS   3  -9.259  -0.730   3.845
   21    HA   CYS   3           HA       CYS   3  -7.845   0.158   1.438
   22   1HB   CYS   3          1HB       CYS   3  -6.935  -0.121   4.267
   23   2HB   CYS   3          2HB       CYS   3  -5.822   0.063   2.900
   24    H    HIS   4           H        HIS   4  -6.230  -1.211   0.593
   25    HA   HIS   4           HA       HIS   4  -6.884  -3.979   0.561
   26   1HB   HIS   4          1HB       HIS   4  -4.982  -2.194  -0.848
   27   2HB   HIS   4          2HB       HIS   4  -4.482  -3.886  -0.687
   28    HD2  HIS   4           HD2      HIS   4  -6.318  -1.819  -3.171
   29    HE1  HIS   4           HE1      HIS   4  -8.034  -5.685  -3.551
   30    H    ASN   5           H        ASN   5  -5.583  -5.705   1.131
   31    HA   ASN   5           HA       ASN   5  -3.787  -5.161   3.392
   32   1HB   ASN   5          1HB       ASN   5  -4.576  -7.649   3.963
   33   2HB   ASN   5          2HB       ASN   5  -5.487  -6.234   4.519
   34   1HD2  ASN   5          2HD2      ASN   5  -8.302  -7.684   3.234
   35   2HD2  ASN   5          1HD2      ASN   5  -7.460  -7.162   4.548
   36    H    GLN   6           H        GLN   6  -4.613  -7.300   0.726
   37    HA   GLN   6           HA       GLN   6  -2.772  -9.248   0.714
   38   1HB   GLN   6          1HB       GLN   6  -2.604  -8.694  -1.868
   39   2HB   GLN   6          2HB       GLN   6  -4.023  -9.453  -1.125
   40   1HG   GLN   6          1HG       GLN   6  -5.312  -7.557  -1.316
   41   2HG   GLN   6          2HG       GLN   6  -3.920  -6.468  -1.185
   42   1HE2  GLN   6          2HE2      GLN   6  -4.488  -5.836  -4.527
   43   2HE2  GLN   6          1HE2      GLN   6  -4.664  -5.318  -2.976
   44    H    GLN   7           H        GLN   7  -0.641  -9.482   0.141
   45    HA   GLN   7           HA       GLN   7   0.971  -7.037  -0.070
   46   1HB   GLN   7          1HB       GLN   7   1.142  -8.162   2.138
   47   2HB   GLN   7          2HB       GLN   7   1.863  -9.551   1.306
   48   1HG   GLN   7          1HG       GLN   7   3.060  -6.943   0.608
   49   2HG   GLN   7          2HG       GLN   7   3.277  -7.425   2.300
   50   1HE2  GLN   7          2HE2      GLN   7   6.131  -8.686   0.466
   51   2HE2  GLN   7          1HE2      GLN   7   5.474  -7.234   0.873
   52    H    SER   8           H        SER   8   2.758  -7.136  -1.409
   53    HA   SER   8           HA       SER   8   4.029  -7.708  -3.224
   54   1HB   SER   8          1HB       SER   8   3.411 -10.323  -1.975
   55   2HB   SER   8          2HB       SER   8   4.029 -10.319  -3.636
   56    HG   SER   8           HG       SER   8   5.769 -10.526  -2.044
   57    H    SER   9           H        SER   9   2.149 -10.515  -3.801
   58    HA   SER   9           HA       SER   9   0.495  -9.160  -5.795
   59   1HB   SER   9          1HB       SER   9   2.685 -10.479  -6.612
   60   2HB   SER   9          2HB       SER   9   1.571 -11.852  -6.486
   61    HG   SER   9           HG       SER   9   1.603 -10.932  -8.667
   62    H    GLN  10           H        GLN  10  -0.123 -10.083  -3.176
   63    HA   GLN  10           HA       GLN  10  -1.423 -12.562  -3.124
   64   1HB   GLN  10          1HB       GLN  10  -1.135 -10.329  -1.348
   65   2HB   GLN  10          2HB       GLN  10  -2.800 -10.936  -1.346
   66   1HG   GLN  10          1HG       GLN  10  -2.145 -13.090  -0.676
   67   2HG   GLN  10          2HG       GLN  10  -0.463 -12.835  -1.174
   68   1HE2  GLN  10          2HE2      GLN  10   0.424 -12.267   2.059
   69   2HE2  GLN  10          1HE2      GLN  10   0.619 -13.099   0.652
   70    HA   PRO  11           HA       PRO  11  -5.299 -11.761  -4.977
   71   1HB   PRO  11          1HB       PRO  11  -7.163 -12.654  -3.125
   72   2HB   PRO  11          2HB       PRO  11  -6.214 -13.715  -4.180
   73   1HG   PRO  11          1HG       PRO  11  -5.943 -13.229  -1.287
   74   2HG   PRO  11          2HG       PRO  11  -5.317 -14.569  -2.264
   75   1HD   PRO  11          2HD       PRO  11  -3.860 -12.327  -1.250
   76   2HD   PRO  11          1HD       PRO  11  -3.260 -13.605  -2.323
   77    HA   PRO  12           HA       PRO  12  -7.158  -8.048  -3.785
   78   1HB   PRO  12          1HB       PRO  12  -9.776  -8.349  -4.662
   79   2HB   PRO  12          2HB       PRO  12  -8.404  -7.971  -5.719
   80   1HG   PRO  12          1HG       PRO  12  -9.901 -10.491  -5.429
   81   2HG   PRO  12          2HG       PRO  12  -8.840  -9.959  -6.746
   82   1HD   PRO  12          2HD       PRO  12  -8.232 -11.836  -4.676
   83   2HD   PRO  12          1HD       PRO  12  -7.135 -11.214  -5.922
   84    H    THR  13           H        THR  13  -7.186  -7.798  -1.688
   85    HA   THR  13           HA       THR  13  -9.620  -8.477  -0.227
   86    HB   THR  13           HB       THR  13  -8.042  -9.132   1.706
   87    HG1  THR  13           HG1      THR  13  -5.906 -10.010   0.735
   88   1HG2  THR  13          3HG2      THR  13  -9.375 -10.825   0.508
   89   2HG2  THR  13          1HG2      THR  13  -8.111 -10.946  -0.728
   90   3HG2  THR  13          2HG2      THR  13  -7.775 -11.453   0.936
   91    H    THR  14           H        THR  14 -10.227  -7.092   1.279
   92    HA   THR  14           HA       THR  14  -8.544  -4.793   1.911
   93    HB   THR  14           HB       THR  14 -11.413  -4.271   1.158
   94    HG1  THR  14           HG1      THR  14 -10.710  -4.171  -1.138
   95   1HG2  THR  14          1HG2      THR  14  -8.761  -2.889   0.425
   96   2HG2  THR  14          2HG2      THR  14 -10.382  -2.222   0.169
   97   3HG2  THR  14          3HG2      THR  14  -9.749  -2.405   1.812
   98    H    LYS  15           H        LYS  15  -9.599  -3.421   3.572
   99    HA   LYS  15           HA       LYS  15 -11.493  -4.577   5.344
  100   1HB   LYS  15          1HB       LYS  15 -10.071  -5.107   7.189
  101   2HB   LYS  15          2HB       LYS  15  -9.386  -5.935   5.779
  102   1HG   LYS  15          1HG       LYS  15  -7.528  -4.594   5.721
  103   2HG   LYS  15          2HG       LYS  15  -8.398  -3.178   6.338
  104   1HD   LYS  15          1HD       LYS  15  -8.438  -5.086   8.419
  105   2HD   LYS  15          2HD       LYS  15  -6.787  -5.100   7.774
  106   1HE   LYS  15          1HE       LYS  15  -6.878  -2.540   7.929
  107   2HE   LYS  15          2HE       LYS  15  -8.336  -2.762   8.912
  108   1HZ   LYS  15          1HZ       LYS  15  -5.717  -3.873   9.602
  109   2HZ   LYS  15          2HZ       LYS  15  -6.335  -2.704  10.294
  110   3HZ   LYS  15          3HZ       LYS  15  -6.944  -4.059  10.430
  111    H    THR  16           H        THR  16 -12.302  -3.188   6.742
  112    HA   THR  16           HA       THR  16 -12.038  -0.443   6.159
  113    HB   THR  16           HB       THR  16 -13.605  -2.042   8.158
  114    HG1  THR  16           HG1      THR  16 -15.318  -1.099   6.758
  115   1HG2  THR  16          3HG2      THR  16 -13.058   0.276   9.158
  116   2HG2  THR  16          1HG2      THR  16 -13.681   0.995   7.664
  117   3HG2  THR  16          2HG2      THR  16 -14.769   0.093   8.732
  118    H    CYS  17           H        CYS  17 -10.753   1.029   7.030
  119    HA   CYS  17           HA       CYS  17  -8.936   0.267   9.175
  120   1HB   CYS  17          1HB       CYS  17  -8.851   2.676   7.346
  121   2HB   CYS  17          2HB       CYS  17  -7.625   2.228   8.544
  122    H    SER  18           H        SER  18  -8.381   2.197  10.620
  123    HA   SER  18           HA       SER  18 -10.619   2.761  12.205
  124   1HB   SER  18          1HB       SER  18  -9.176   4.093  13.565
  125   2HB   SER  18          2HB       SER  18  -8.219   2.713  12.999
  126    HG   SER  18           HG       SER  18  -6.998   4.739  12.895
  127    H    GLY  19           H        GLY  19 -10.184   5.481  12.820
  128   1HA   GLY  19          1HA       GLY  19 -12.004   6.692  11.037
  129   2HA   GLY  19          2HA       GLY  19 -11.145   7.505  12.357
  130    H    GLU  20           H        GLU  20 -10.239   5.952   9.301
  131    HA   GLU  20           HA       GLU  20  -8.980   8.415   8.394
  132   1HB   GLU  20          1HB       GLU  20  -7.042   7.410   9.232
  133   2HB   GLU  20          2HB       GLU  20  -7.600   5.775   8.836
  134   1HG   GLU  20          1HG       GLU  20  -7.283   7.603   6.526
  135   2HG   GLU  20          2HG       GLU  20  -5.782   7.165   7.359
  136    H    THR  21           H        THR  21  -9.069   8.764   6.293
  137    HA   THR  21           HA       THR  21 -10.365   6.730   4.619
  138    HB   THR  21           HB       THR  21 -11.422   8.727   3.445
  139    HG1  THR  21           HG1      THR  21 -11.425  10.704   4.815
  140   1HG2  THR  21          3HG2      THR  21 -12.669   7.387   5.271
  141   2HG2  THR  21          1HG2      THR  21 -11.983   8.501   6.465
  142   3HG2  THR  21          2HG2      THR  21 -13.118   9.100   5.243
  143    H    ASN  22           H        ASN  22  -7.726   6.622   4.673
  144    HA   ASN  22           HA       ASN  22  -6.940   7.460   2.018
  145   1HB   ASN  22          1HB       ASN  22  -5.311   8.201   4.476
  146   2HB   ASN  22          2HB       ASN  22  -4.798   8.411   2.793
  147   1HD2  ASN  22          2HD2      ASN  22  -7.711  10.760   4.455
  148   2HD2  ASN  22          1HD2      ASN  22  -7.376   9.261   5.044
  149    H    CYS  23           H        CYS  23  -5.058   6.325   1.311
  150    HA   CYS  23           HA       CYS  23  -4.030   4.164   2.941
  151   1HB   CYS  23          1HB       CYS  23  -5.085   3.548   0.188
  152   2HB   CYS  23          2HB       CYS  23  -4.562   2.421   1.451
  153    OH   TYR  24           OH       TYR  24   1.706   0.816   5.805
  154    H    TYR  24           H        TYR  24  -2.115   3.271   2.088
  155    HA   TYR  24           HA       TYR  24  -0.789   4.857   0.018
  156   1HB   TYR  24          1HB       TYR  24   1.142   5.075   1.479
  157   2HB   TYR  24          2HB       TYR  24  -0.270   5.512   2.457
  158    HD1  TYR  24           HD1      TYR  24   1.892   2.570   1.637
  159    HD2  TYR  24           HD2      TYR  24  -0.549   4.530   4.540
  160    HE1  TYR  24           HE1      TYR  24   2.548   0.836   3.369
  161    HE2  TYR  24           HE2      TYR  24   0.115   2.790   6.263
  162    HH   TYR  24           HH       TYR  24   1.214   1.037   6.747
  163    H    LYS  25           H        LYS  25   1.098   3.808  -0.867
  164    HA   LYS  25           HA       LYS  25   1.034   0.876  -0.684
  165   1HB   LYS  25          1HB       LYS  25   1.586   2.323  -3.228
  166   2HB   LYS  25          2HB       LYS  25   1.251   0.604  -2.960
  167   1HG   LYS  25          1HG       LYS  25  -1.029   1.026  -2.436
  168   2HG   LYS  25          2HG       LYS  25  -0.746   2.766  -2.259
  169   1HD   LYS  25          1HD       LYS  25   0.089   2.340  -4.834
  170   2HD   LYS  25          2HD       LYS  25  -1.227   1.163  -4.692
  171   1HE   LYS  25          1HE       LYS  25  -2.432   3.014  -5.353
  172   2HE   LYS  25          2HE       LYS  25  -2.486   3.235  -3.594
  173   1HZ   LYS  25          1HZ       LYS  25  -0.566   4.577  -5.351
  174   2HZ   LYS  25          2HZ       LYS  25  -1.735   5.256  -4.721
  175   3HZ   LYS  25          3HZ       LYS  25  -0.612   4.764  -3.872
  176    H    LYS  26           H        LYS  26   3.052  -0.141  -1.070
  177    HA   LYS  26           HA       LYS  26   5.470   1.465  -1.118
  178   1HB   LYS  26          1HB       LYS  26   6.335   0.137   0.871
  179   2HB   LYS  26          2HB       LYS  26   5.298   1.550   1.129
  180   1HG   LYS  26          1HG       LYS  26   3.442   0.240   1.705
  181   2HG   LYS  26          2HG       LYS  26   4.100  -1.207   0.922
  182   1HD   LYS  26          1HD       LYS  26   4.209  -1.392   3.376
  183   2HD   LYS  26          2HD       LYS  26   5.831  -1.370   2.662
  184   1HE   LYS  26          1HE       LYS  26   6.185   0.904   3.310
  185   2HE   LYS  26          2HE       LYS  26   4.477   1.120   3.733
  186   1HZ   LYS  26          3HZ       LYS  26   4.874  -0.447   5.551
  187   2HZ   LYS  26          1HZ       LYS  26   6.312  -0.629   5.195
  188   3HZ   LYS  26          2HZ       LYS  26   5.830   0.687   5.706
  189    CH2  TRP  27           CH2      TRP  27   4.604   3.298  -5.544
  190    H    TRP  27           H        TRP  27   6.969   0.472  -2.287
  191    HA   TRP  27           HA       TRP  27   7.085  -2.415  -2.558
  192   1HB   TRP  27          1HB       TRP  27   6.978  -2.446  -4.932
  193   2HB   TRP  27          2HB       TRP  27   5.477  -1.816  -4.233
  194    HD1  TRP  27           HD1      TRP  27   8.235  -0.863  -6.643
  195    HE1  TRP  27           HE1      TRP  27   7.759   1.451  -7.621
  196    HE3  TRP  27           HE3      TRP  27   4.424   0.472  -3.566
  197    HZ2  TRP  27           HZ2      TRP  27   5.997   3.622  -7.185
  198    HZ3  TRP  27           HZ3      TRP  27   3.382   2.707  -3.911
  199    HH2  TRP  27           HH2      TRP  27   4.111   4.259  -5.646
  200    CH2  TRP  28           CH2      TRP  28   9.390  -5.196   1.371
  201    H    TRP  28           H        TRP  28   9.078  -3.024  -3.658
  202    HA   TRP  28           HA       TRP  28  11.132  -1.078  -4.157
  203   1HB   TRP  28          1HB       TRP  28  12.611  -1.559  -2.457
  204   2HB   TRP  28          2HB       TRP  28  11.049  -1.234  -1.686
  205    HD1  TRP  28           HD1      TRP  28  13.462  -4.168  -2.378
  206    HE1  TRP  28           HE1      TRP  28  12.890  -6.083  -0.783
  207    HE3  TRP  28           HE3      TRP  28   9.254  -2.198  -0.339
  208    HZ2  TRP  28           HZ2      TRP  28  10.911  -6.733   1.134
  209    HZ3  TRP  28           HZ3      TRP  28   8.062  -3.537   1.389
  210    HH2  TRP  28           HH2      TRP  28   8.827  -5.734   2.127
  211    H    SER  29           H        SER  29  12.676  -1.965  -5.442
  212    HA   SER  29           HA       SER  29  12.213  -4.638  -6.466
  213   1HB   SER  29          1HB       SER  29  13.772  -4.035  -8.241
  214   2HB   SER  29          2HB       SER  29  12.424  -2.892  -8.105
  215    HG   SER  29           HG       SER  29  14.487  -1.789  -8.472
  216    H    ASP  30           H        ASP  30  13.774  -6.219  -6.481
  217    HA   ASP  30           HA       ASP  30  16.044  -5.856  -4.651
  218   1HB   ASP  30          1HB       ASP  30  15.759  -8.547  -4.819
  219   2HB   ASP  30          2HB       ASP  30  15.038  -7.546  -3.548
  220    H    HIS  31           H        HIS  31  17.476  -8.037  -5.216
  221    HA   HIS  31           HA       HIS  31  18.992  -7.416  -7.426
  222   1HB   HIS  31          1HB       HIS  31  18.749  -9.750  -5.628
  223   2HB   HIS  31          2HB       HIS  31  19.435 -10.091  -7.226
  224    HD2  HIS  31           HD2      HIS  31  22.069 -10.385  -6.426
  225    HE1  HIS  31           HE1      HIS  31  22.511  -6.544  -4.673
  226    NH1  ARG  32           NH2      ARG  32  16.696 -10.284 -14.346
  227    NH2  ARG  32           NH1      ARG  32  18.678 -11.033 -15.287
  228    H    ARG  32           H        ARG  32  16.684 -10.079  -7.275
  229    HA   ARG  32           HA       ARG  32  16.005  -9.566 -10.066
  230   1HB   ARG  32          1HB       ARG  32  17.244 -12.019  -8.949
  231   2HB   ARG  32          2HB       ARG  32  15.850 -12.277 -10.013
  232   1HG   ARG  32          1HG       ARG  32  17.531 -10.288 -11.201
  233   2HG   ARG  32          2HG       ARG  32  18.544 -11.668 -10.738
  234   1HD   ARG  32          1HD       ARG  32  16.945 -13.181 -11.922
  235   2HD   ARG  32          2HD       ARG  32  16.044 -11.754 -12.463
  236    HE   ARG  32           HE       ARG  32  18.731 -12.519 -13.334
  237   1HH1  ARG  32          1HH2      ARG  32  16.053 -10.332 -13.648
  238   2HH1  ARG  32          2HH2      ARG  32  16.578  -9.669 -15.060
  239   1HH2  ARG  32          1HH1      ARG  32  19.437 -11.604 -15.264
  240   2HH2  ARG  32          2HH1      ARG  32  18.566 -10.419 -16.005
  241    H    GLY  33           H        GLY  33  14.398  -8.652  -8.266
  242   1HA   GLY  33          1HA       GLY  33  11.961  -9.992  -8.667
  243   2HA   GLY  33          2HA       GLY  33  12.527 -10.248  -7.008
  244    H    THR  34           H        THR  34  10.324  -9.047  -6.901
  245    HA   THR  34           HA       THR  34  10.867  -6.340  -6.080
  246    HB   THR  34           HB       THR  34   9.022  -7.015  -8.414
  247    HG1  THR  34           HG1      THR  34  10.424  -5.334  -9.410
  248   1HG2  THR  34          1HG2      THR  34   9.457  -4.328  -6.974
  249   2HG2  THR  34          2HG2      THR  34   8.421  -4.589  -8.386
  250   3HG2  THR  34          3HG2      THR  34   7.969  -5.276  -6.817
  251    H    ILE  35           H        ILE  35  10.003  -6.056  -4.243
  252    HA   ILE  35           HA       ILE  35   7.729  -7.701  -3.422
  253    HB   ILE  35           HB       ILE  35   9.799  -6.175  -1.810
  254   1HG1  ILE  35          1HG1      ILE  35   9.842  -8.726  -0.900
  255   2HG1  ILE  35          2HG1      ILE  35   9.386  -9.013  -2.588
  256   1HG2  ILE  35          1HG2      ILE  35   7.383  -7.618  -0.783
  257   2HG2  ILE  35          2HG2      ILE  35   8.720  -6.985   0.193
  258   3HG2  ILE  35          3HG2      ILE  35   7.696  -5.875  -0.734
  259   1HD1  ILE  35          1HD1      ILE  35  11.802  -7.421  -1.653
  260   2HD1  ILE  35          2HD1      ILE  35  11.838  -9.067  -2.312
  261   3HD1  ILE  35          3HD1      ILE  35  11.346  -7.709  -3.340
  262    H    ILE  36           H        ILE  36   5.853  -6.931  -2.931
  263    HA   ILE  36           HA       ILE  36   5.458  -4.029  -2.928
  264    HB   ILE  36           HB       ILE  36   3.513  -5.956  -4.212
  265   1HG1  ILE  36          1HG1      ILE  36   4.984  -4.291  -6.087
  266   2HG1  ILE  36          2HG1      ILE  36   6.072  -5.379  -5.210
  267   1HG2  ILE  36          1HG2      ILE  36   3.779  -2.977  -4.380
  268   2HG2  ILE  36          2HG2      ILE  36   2.618  -3.976  -5.269
  269   3HG2  ILE  36          3HG2      ILE  36   2.548  -3.899  -3.500
  270   1HD1  ILE  36          1HD1      ILE  36   3.565  -6.213  -6.714
  271   2HD1  ILE  36          2HD1      ILE  36   5.231  -6.439  -7.273
  272   3HD1  ILE  36          3HD1      ILE  36   4.654  -7.302  -5.838
  273    H    GLU  37           H        GLU  37   3.781  -3.254  -1.725
  274    HA   GLU  37           HA       GLU  37   2.176  -4.914  -0.065
  275   1HB   GLU  37          1HB       GLU  37   4.618  -4.818   0.952
  276   2HB   GLU  37          2HB       GLU  37   4.087  -3.219   1.505
  277   1HG   GLU  37          1HG       GLU  37   2.330  -5.616   1.962
  278   2HG   GLU  37          2HG       GLU  37   3.711  -5.321   3.034
  279    NH1  ARG  38           NH2      ARG  38   0.845  -1.737  -3.790
  280    NH2  ARG  38           NH1      ARG  38  -0.200  -2.786  -5.574
  281    H    ARG  38           H        ARG  38   0.598  -3.825   0.997
  282    HA   ARG  38           HA       ARG  38   0.361  -0.968   0.372
  283   1HB   ARG  38          1HB       ARG  38  -1.764  -3.129   0.370
  284   2HB   ARG  38          2HB       ARG  38  -2.142  -1.398   0.384
  285   1HG   ARG  38          1HG       ARG  38  -2.208  -1.955  -1.898
  286   2HG   ARG  38          2HG       ARG  38  -0.592  -1.258  -1.689
  287   1HD   ARG  38          1HD       ARG  38   0.434  -3.421  -1.673
  288   2HD   ARG  38          2HD       ARG  38  -1.132  -4.236  -1.526
  289    HE   ARG  38           HE       ARG  38  -1.322  -4.074  -3.811
  290   1HH1  ARG  38          1HH2      ARG  38   0.967  -1.646  -2.853
  291   2HH1  ARG  38          2HH2      ARG  38   1.333  -1.184  -4.388
  292   1HH2  ARG  38          1HH1      ARG  38  -0.812  -3.432  -5.905
  293   2HH2  ARG  38          2HH1      ARG  38   0.285  -2.236  -6.178
  294    H    GLY  39           H        GLY  39  -1.314   0.075   1.810
  295   1HA   GLY  39          1HA       GLY  39  -1.818  -0.946   4.403
  296   2HA   GLY  39          2HA       GLY  39  -0.466   0.201   4.410
  297    H    CYS  40           H        CYS  40  -2.358   1.056   5.883
  298    HA   CYS  40           HA       CYS  40  -4.111   2.825   4.330
  299   1HB   CYS  40          1HB       CYS  40  -4.605   1.228   6.627
  300   2HB   CYS  40          2HB       CYS  40  -4.864   2.941   7.003
  301    H    GLY  41           H        GLY  41  -4.143   5.007   4.894
  302   1HA   GLY  41          1HA       GLY  41  -3.503   6.946   6.081
  303   2HA   GLY  41          2HA       GLY  41  -2.151   6.022   6.761
  304    H    CYS  42           H        CYS  42  -0.907   7.904   6.100
  305    HA   CYS  42           HA       CYS  42   0.203   7.577   3.432
  306   1HB   CYS  42          1HB       CYS  42  -1.463   9.243   3.068
  307   2HB   CYS  42          2HB       CYS  42  -0.819  10.217   4.401
  308    HA   PRO  43           HA       PRO  43   3.344   8.089   6.645
  309   1HB   PRO  43          1HB       PRO  43   5.082   6.202   5.575
  310   2HB   PRO  43          2HB       PRO  43   3.849   5.872   6.804
  311   1HG   PRO  43          1HG       PRO  43   3.872   5.167   3.945
  312   2HG   PRO  43          2HG       PRO  43   2.892   4.496   5.260
  313   1HD   PRO  43          2HD       PRO  43   2.064   6.355   3.251
  314   2HD   PRO  43          1HD       PRO  43   1.121   5.773   4.633
  315    H    LYS  44           H        LYS  44   5.849   8.316   6.234
  316    HA   LYS  44           HA       LYS  44   6.155  10.425   4.295
  317   1HB   LYS  44          1HB       LYS  44   6.976  10.844   6.469
  318   2HB   LYS  44          2HB       LYS  44   8.032   9.424   6.395
  319   1HG   LYS  44          1HG       LYS  44   9.032  10.522   4.280
  320   2HG   LYS  44          2HG       LYS  44   8.224  12.001   4.830
  321   1HD   LYS  44          1HD       LYS  44   9.953  10.454   6.742
  322   2HD   LYS  44          2HD       LYS  44  10.708  11.517   5.543
  323   1HE   LYS  44          1HE       LYS  44   8.791  13.178   6.495
  324   2HE   LYS  44          2HE       LYS  44   9.090  12.197   7.940
  325   1HZ   LYS  44          3HZ       LYS  44  11.431  12.818   7.705
  326   2HZ   LYS  44          1HZ       LYS  44  11.180  13.644   6.490
  327   3HZ   LYS  44          2HZ       LYS  44  10.633  14.073   7.809
  328    H    VAL  45           H        VAL  45   7.384  10.315   2.495
  329    HA   VAL  45           HA       VAL  45   8.033   7.718   1.432
  330    HB   VAL  45           HB       VAL  45   8.543   8.943  -0.634
  331   1HG1  VAL  45          1HG1      VAL  45   6.019   9.984   0.703
  332   2HG1  VAL  45          2HG1      VAL  45   6.337   9.971  -1.039
  333   3HG1  VAL  45          3HG1      VAL  45   6.171   8.443  -0.158
  334   1HG2  VAL  45          3HG2      VAL  45   8.161  11.451   0.978
  335   2HG2  VAL  45          1HG2      VAL  45   9.678  10.846   0.292
  336   3HG2  VAL  45          2HG2      VAL  45   8.364  11.360  -0.779
  337    H    LYS  46           H        LYS  46   9.774   6.741   1.928
  338    HA   LYS  46           HA       LYS  46  12.158   8.209   2.738
  339   1HB   LYS  46          1HB       LYS  46  12.336   6.719   4.278
  340   2HB   LYS  46          2HB       LYS  46  10.957   5.818   3.625
  341   1HG   LYS  46          1HG       LYS  46  12.522   4.741   1.986
  342   2HG   LYS  46          2HG       LYS  46  13.868   5.542   2.814
  343   1HD   LYS  46          1HD       LYS  46  12.465   4.339   4.887
  344   2HD   LYS  46          2HD       LYS  46  12.357   3.151   3.576
  345   1HE   LYS  46          1HE       LYS  46  14.544   2.614   3.744
  346   2HE   LYS  46          2HE       LYS  46  15.036   4.314   3.841
  347   1HZ   LYS  46          1HZ       LYS  46  14.032   2.772   6.118
  348   2HZ   LYS  46          2HZ       LYS  46  15.464   3.146   5.932
  349   3HZ   LYS  46          3HZ       LYS  46  14.447   4.202   6.200
  350    HA   PRO  47           HA       PRO  47  14.118   7.398  -1.057
  351   1HB   PRO  47          1HB       PRO  47  16.772   7.515  -0.244
  352   2HB   PRO  47          2HB       PRO  47  15.749   8.919  -0.593
  353   1HG   PRO  47          1HG       PRO  47  16.668   7.876   2.004
  354   2HG   PRO  47          2HG       PRO  47  16.026   9.478   1.600
  355   1HD   PRO  47          2HD       PRO  47  14.660   7.344   2.928
  356   2HD   PRO  47          1HD       PRO  47  13.985   8.902   2.417
  357    H    GLY  48           H        GLY  48  15.052   5.758  -2.227
  358   1HA   GLY  48          1HA       GLY  48  15.996   3.707  -2.722
  359   2HA   GLY  48          2HA       GLY  48  16.283   3.479  -0.988
  360    H    VAL  49           H        VAL  49  13.238   4.388  -1.007
  361    HA   VAL  49           HA       VAL  49  12.102   1.738  -1.552
  362    HB   VAL  49           HB       VAL  49  11.508   3.398   0.879
  363   1HG1  VAL  49          3HG1      VAL  49   9.561   2.220   0.111
  364   2HG1  VAL  49          1HG1      VAL  49  10.477   0.706   0.026
  365   3HG1  VAL  49          2HG1      VAL  49  10.196   1.484   1.592
  366   1HG2  VAL  49          1HG2      VAL  49  13.744   2.350   0.985
  367   2HG2  VAL  49          2HG2      VAL  49  12.615   1.558   2.097
  368   3HG2  VAL  49          3HG2      VAL  49  13.030   0.786   0.558
  369    H    ASN  50           H        ASN  50  10.137   1.773  -2.500
  370    HA   ASN  50           HA       ASN  50   9.188   4.280  -3.577
  371   1HB   ASN  50          1HB       ASN  50   7.922   1.577  -4.042
  372   2HB   ASN  50          2HB       ASN  50   7.886   3.012  -5.084
  373   1HD2  ASN  50          2HD2      ASN  50  10.489   1.974  -6.980
  374   2HD2  ASN  50          1HD2      ASN  50   9.055   2.762  -6.810
  375    H    LEU  51           H        LEU  51   7.449   5.300  -2.807
  376    HA   LEU  51           HA       LEU  51   5.505   3.908  -1.124
  377   1HB   LEU  51          1HB       LEU  51   7.221   4.937   0.284
  378   2HB   LEU  51          2HB       LEU  51   6.684   6.516  -0.314
  379    HG   LEU  51           HG       LEU  51   4.388   5.942   0.576
  380   1HD1  LEU  51          1HD1      LEU  51   5.961   3.761   1.995
  381   2HD1  LEU  51          2HD1      LEU  51   4.287   4.223   2.343
  382   3HD1  LEU  51          3HD1      LEU  51   4.698   3.499   0.779
  383   1HD2  LEU  51          3HD2      LEU  51   6.636   6.264   2.531
  384   2HD2  LEU  51          1HD2      LEU  51   5.789   7.545   1.645
  385   3HD2  LEU  51          2HD2      LEU  51   4.920   6.574   2.847
  386    H    ASN  52           H        ASN  52   3.462   4.574  -1.462
  387    HA   ASN  52           HA       ASN  52   2.977   6.881  -3.202
  388   1HB   ASN  52          1HB       ASN  52   2.713   4.556  -4.308
  389   2HB   ASN  52          2HB       ASN  52   1.273   4.390  -3.288
  390   1HD2  ASN  52          2HD2      ASN  52   1.099   6.275  -6.733
  391   2HD2  ASN  52          1HD2      ASN  52   2.273   5.231  -6.245
  392    H    CYS  53           H        CYS  53   1.101   8.012  -2.734
  393    HA   CYS  53           HA       CYS  53  -0.428   7.234  -0.350
  394   1HB   CYS  53          1HB       CYS  53   0.914   9.820  -0.902
  395   2HB   CYS  53          2HB       CYS  53  -0.595   9.773   0.025
  396    H    CYS  54           H        CYS  54  -2.584   7.583  -0.523
  397    HA   CYS  54           HA       CYS  54  -3.751   9.176  -2.609
  398   1HB   CYS  54          1HB       CYS  54  -5.207   7.148  -3.286
  399   2HB   CYS  54          2HB       CYS  54  -3.593   7.325  -3.994
  400    NH1  ARG  55           NH2      ARG  55  -6.797  15.507   1.374
  401    NH2  ARG  55           NH1      ARG  55  -4.927  16.030   0.108
  402    H    ARG  55           H        ARG  55  -6.092   9.244  -2.380
  403    HA   ARG  55           HA       ARG  55  -6.936   8.794   0.394
  404   1HB   ARG  55          1HB       ARG  55  -7.901  11.049  -1.361
  405   2HB   ARG  55          2HB       ARG  55  -8.183  10.813   0.373
  406   1HG   ARG  55          1HG       ARG  55  -5.540  10.849   0.479
  407   2HG   ARG  55          2HG       ARG  55  -5.705  11.726  -1.053
  408   1HD   ARG  55          1HD       ARG  55  -7.556  13.028   0.459
  409   2HD   ARG  55          2HD       ARG  55  -6.383  12.575   1.708
  410    HE   ARG  55           HE       ARG  55  -4.905  13.622  -0.368
  411   1HH1  ARG  55          1HH2      ARG  55  -7.409  14.857   1.698
  412   2HH1  ARG  55          2HH2      ARG  55  -6.897  16.418   1.621
  413   1HH2  ARG  55          1HH1      ARG  55  -4.216  15.761  -0.461
  414   2HH2  ARG  55          2HH1      ARG  55  -5.021  16.945   0.352
  415    H    THR  56           H        THR  56  -7.267   7.306  -2.240
  416    HA   THR  56           HA       THR  56 -10.189   7.242  -2.399
  417    HB   THR  56           HB       THR  56  -9.454   5.868  -4.574
  418    HG1  THR  56           HG1      THR  56  -7.418   6.880  -5.357
  419   1HG2  THR  56          3HG2      THR  56 -10.651   8.158  -4.544
  420   2HG2  THR  56          1HG2      THR  56  -9.062   8.913  -4.335
  421   3HG2  THR  56          2HG2      THR  56  -9.435   8.031  -5.825
  422    H    ASP  57           H        ASP  57 -11.259   5.325  -2.152
  423    HA   ASP  57           HA       ASP  57 -10.226   3.411  -0.375
  424   1HB   ASP  57          1HB       ASP  57 -12.749   4.017  -1.523
  425   2HB   ASP  57          2HB       ASP  57 -12.397   2.323  -1.910
  426    NH1  ARG  58           NH2      ARG  58 -12.820  -4.047  -3.417
  427    NH2  ARG  58           NH1      ARG  58 -11.901  -5.942  -2.447
  428    H    ARG  58           H        ARG  58  -9.477   1.375  -0.747
  429    HA   ARG  58           HA       ARG  58  -8.223  -0.230  -1.800
  430   1HB   ARG  58          1HB       ARG  58 -10.849  -0.126  -2.959
  431   2HB   ARG  58          2HB       ARG  58  -9.672  -0.493  -4.232
  432   1HG   ARG  58          1HG       ARG  58  -8.737  -2.165  -2.382
  433   2HG   ARG  58          2HG       ARG  58 -10.407  -2.068  -1.798
  434   1HD   ARG  58          1HD       ARG  58 -11.086  -2.557  -4.243
  435   2HD   ARG  58          2HD       ARG  58  -9.399  -3.050  -4.473
  436    HE   ARG  58           HE       ARG  58  -9.773  -4.782  -2.838
  437   1HH1  ARG  58          1HH2      ARG  58 -12.701  -3.192  -3.813
  438   2HH1  ARG  58          2HH2      ARG  58 -13.694  -4.406  -3.312
  439   1HH2  ARG  58          1HH1      ARG  58 -11.142  -6.432  -2.155
  440   2HH2  ARG  58          2HH1      ARG  58 -12.772  -6.306  -2.339
  441    H    CYS  59           H        CYS  59  -7.689   2.610  -2.405
  442    HA   CYS  59           HA       CYS  59  -6.968   2.919  -5.124
  443   1HB   CYS  59          1HB       CYS  59  -5.794   4.863  -4.506
  444   2HB   CYS  59          2HB       CYS  59  -7.356   4.817  -3.669
  445    H    ASN  60           H        ASN  60  -5.501   1.533  -2.305
  446    HA   ASN  60           HA       ASN  60  -2.895   1.227  -3.534
  447   1HB   ASN  60          1HB       ASN  60  -2.386  -0.024  -1.384
  448   2HB   ASN  60          2HB       ASN  60  -2.813   1.683  -1.180
  449   1HD2  ASN  60          2HD2      ASN  60  -4.658   0.124   1.415
  450   2HD2  ASN  60          1HD2      ASN  60  -3.138   0.618   1.025
  451    H    ASN  61           H        ASN  61  -3.420  -0.146  -5.243
  452    HA   ASN  61           HA       ASN  61  -4.004  -2.918  -4.494
  453   1HB   ASN  61          1HB       ASN  61  -5.988  -2.179  -5.600
  454   2HB   ASN  61          2HB       ASN  61  -5.058  -1.353  -6.862
  455   1HD2  ASN  61          2HD2      ASN  61  -6.012  -4.176  -8.682
  456   2HD2  ASN  61          1HD2      ASN  61  -6.442  -2.646  -8.256
   
  Start of MODEL          13
 Raw file had 456 H/Q atoms
  Start of MODEL   13
    1   1H    LEU   1          2H        LEU   1 -14.712   2.535   4.813
    2   2H    LEU   1          3H        LEU   1 -13.812   3.214   5.788
    3   3H    LEU   1          1H        LEU   1 -14.678   4.024   4.883
    4    HA   LEU   1           HA       LEU   1 -13.489   3.339   2.903
    5   1HB   LEU   1          1HB       LEU   1 -12.731   5.280   4.570
    6   2HB   LEU   1          2HB       LEU   1 -11.342   4.199   4.781
    7    HG   LEU   1           HG       LEU   1 -12.069   4.778   1.981
    8   1HD1  LEU   1          1HD1      LEU   1 -11.062   7.001   3.717
    9   2HD1  LEU   1          2HD1      LEU   1 -11.114   6.997   1.947
   10   3HD1  LEU   1          3HD1      LEU   1 -12.619   6.913   2.876
   11   1HD2  LEU   1          1HD2      LEU   1 -10.047   3.505   2.615
   12   2HD2  LEU   1          2HD2      LEU   1  -9.618   5.015   1.795
   13   3HD2  LEU   1          3HD2      LEU   1  -9.469   4.890   3.556
   14    H    GLU   2           H        GLU   2 -12.970   1.539   2.102
   15    HA   GLU   2           HA       GLU   2 -11.601  -0.477   3.695
   16   1HB   GLU   2          1HB       GLU   2 -12.342  -2.095   2.213
   17   2HB   GLU   2          2HB       GLU   2 -13.712  -0.989   2.409
   18   1HG   GLU   2          1HG       GLU   2 -12.980   0.176   0.306
   19   2HG   GLU   2          2HG       GLU   2 -11.762  -1.092   0.089
   20    H    CYS   3           H        CYS   3  -9.497  -0.664   3.517
   21    HA   CYS   3           HA       CYS   3  -8.127   0.291   1.110
   22   1HB   CYS   3          1HB       CYS   3  -7.041  -0.093   3.909
   23   2HB   CYS   3          2HB       CYS   3  -6.100   0.433   2.502
   24    H    HIS   4           H        HIS   4  -6.232  -0.950   0.492
   25    HA   HIS   4           HA       HIS   4  -6.881  -3.666   0.072
   26   1HB   HIS   4          1HB       HIS   4  -4.928  -1.817  -0.905
   27   2HB   HIS   4          2HB       HIS   4  -4.231  -3.415  -0.587
   28    HD2  HIS   4           HD2      HIS   4  -5.643  -1.746  -3.516
   29    HE1  HIS   4           HE1      HIS   4  -7.103  -5.716  -3.882
   30    H    ASN   5           H        ASN   5  -5.515  -5.459   0.704
   31    HA   ASN   5           HA       ASN   5  -4.130  -5.119   3.268
   32   1HB   ASN   5          1HB       ASN   5  -6.531  -6.644   2.731
   33   2HB   ASN   5          2HB       ASN   5  -5.212  -7.733   3.196
   34   1HD2  ASN   5          2HD2      ASN   5  -6.955  -6.741   6.226
   35   2HD2  ASN   5          1HD2      ASN   5  -7.295  -7.556   4.837
   36    H    GLN   6           H        GLN   6  -4.717  -7.229   0.496
   37    HA   GLN   6           HA       GLN   6  -2.808  -9.129   0.694
   38   1HB   GLN   6          1HB       GLN   6  -2.510  -8.655  -1.916
   39   2HB   GLN   6          2HB       GLN   6  -3.981  -9.400  -1.264
   40   1HG   GLN   6          1HG       GLN   6  -5.251  -7.507  -1.584
   41   2HG   GLN   6          2HG       GLN   6  -3.868  -6.415  -1.388
   42   1HE2  GLN   6          2HE2      GLN   6  -4.121  -5.860  -4.770
   43   2HE2  GLN   6          1HE2      GLN   6  -4.356  -5.291  -3.244
   44    H    GLN   7           H        GLN   7  -0.686  -9.368   0.175
   45    HA   GLN   7           HA       GLN   7   0.904  -6.920  -0.071
   46   1HB   GLN   7          1HB       GLN   7   0.885  -7.898   2.289
   47   2HB   GLN   7          2HB       GLN   7   1.738  -9.295   1.611
   48   1HG   GLN   7          1HG       GLN   7   2.939  -6.757   0.794
   49   2HG   GLN   7          2HG       GLN   7   2.909  -6.952   2.556
   50   1HE2  GLN   7          2HE2      GLN   7   5.906  -8.455   0.789
   51   2HE2  GLN   7          1HE2      GLN   7   5.090  -7.048   0.542
   52    H    SER   8           H        SER   8   2.853  -7.099  -1.119
   53    HA   SER   8           HA       SER   8   4.249  -7.752  -2.805
   54   1HB   SER   8          1HB       SER   8   3.547 -10.297  -1.409
   55   2HB   SER   8          2HB       SER   8   4.293 -10.417  -3.012
   56    HG   SER   8           HG       SER   8   5.903 -10.507  -1.277
   57    H    SER   9           H        SER   9   2.410 -10.607  -3.319
   58    HA   SER   9           HA       SER   9   0.957  -9.394  -5.541
   59   1HB   SER   9          1HB       SER   9   1.517 -11.450  -6.908
   60   2HB   SER   9          2HB       SER   9   2.860 -10.323  -6.646
   61    HG   SER   9           HG       SER   9   3.534 -12.580  -6.392
   62    H    GLN  10           H        GLN  10  -0.009 -10.061  -3.032
   63    HA   GLN  10           HA       GLN  10  -1.297 -12.604  -3.047
   64   1HB   GLN  10          1HB       GLN  10  -1.080 -10.339  -1.224
   65   2HB   GLN  10          2HB       GLN  10  -2.740 -10.949  -1.317
   66   1HG   GLN  10          1HG       GLN  10  -2.166 -13.034  -0.482
   67   2HG   GLN  10          2HG       GLN  10  -0.487 -12.910  -1.033
   68   1HE2  GLN  10          2HE2      GLN  10   0.650 -12.068   2.042
   69   2HE2  GLN  10          1HE2      GLN  10   0.815 -12.876   0.617
   70    HA   PRO  11           HA       PRO  11  -4.986 -11.764  -5.124
   71   1HB   PRO  11          1HB       PRO  11  -6.983 -12.659  -3.415
   72   2HB   PRO  11          2HB       PRO  11  -5.966 -13.720  -4.406
   73   1HG   PRO  11          1HG       PRO  11  -5.902 -13.253  -1.500
   74   2HG   PRO  11          2HG       PRO  11  -5.213 -14.589  -2.438
   75   1HD   PRO  11          2HD       PRO  11  -3.820 -12.363  -1.307
   76   2HD   PRO  11          1HD       PRO  11  -3.153 -13.635  -2.344
   77    HA   PRO  12           HA       PRO  12  -6.943  -8.065  -4.041
   78   1HB   PRO  12          1HB       PRO  12  -9.524  -8.387  -5.011
   79   2HB   PRO  12          2HB       PRO  12  -8.117  -8.012  -6.020
   80   1HG   PRO  12          1HG       PRO  12  -9.611 -10.537  -5.762
   81   2HG   PRO  12          2HG       PRO  12  -8.505 -10.011  -7.044
   82   1HD   PRO  12          2HD       PRO  12  -7.966 -11.866  -4.935
   83   2HD   PRO  12          1HD       PRO  12  -6.826 -11.252  -6.145
   84    H    THR  13           H        THR  13  -7.086  -7.742  -1.968
   85    HA   THR  13           HA       THR  13  -9.561  -8.424  -0.590
   86    HB   THR  13           HB       THR  13  -8.161  -9.147   1.394
   87    HG1  THR  13           HG1      THR  13  -5.875  -9.858   0.656
   88   1HG2  THR  13          1HG2      THR  13  -7.827 -10.840  -1.105
   89   2HG2  THR  13          2HG2      THR  13  -7.662 -11.410   0.565
   90   3HG2  THR  13          3HG2      THR  13  -9.235 -10.851  -0.030
   91    H    THR  14           H        THR  14 -10.255  -6.985   0.800
   92    HA   THR  14           HA       THR  14  -8.579  -4.655   1.403
   93    HB   THR  14           HB       THR  14 -11.448  -4.132   0.962
   94    HG1  THR  14           HG1      THR  14 -11.009  -4.226  -1.501
   95   1HG2  THR  14          1HG2      THR  14  -8.945  -2.855  -0.183
   96   2HG2  THR  14          2HG2      THR  14 -10.591  -2.216  -0.319
   97   3HG2  THR  14          3HG2      THR  14  -9.808  -2.317   1.267
   98    H    LYS  15           H        LYS  15  -9.740  -3.264   3.057
   99    HA   LYS  15           HA       LYS  15 -11.400  -4.524   4.978
  100   1HB   LYS  15          1HB       LYS  15  -9.824  -4.821   6.766
  101   2HB   LYS  15          2HB       LYS  15  -9.186  -5.688   5.358
  102   1HG   LYS  15          1HG       LYS  15  -7.376  -4.342   5.203
  103   2HG   LYS  15          2HG       LYS  15  -8.325  -2.877   5.514
  104   1HD   LYS  15          1HD       LYS  15  -8.331  -3.392   7.923
  105   2HD   LYS  15          2HD       LYS  15  -7.389  -4.860   7.614
  106   1HE   LYS  15          1HE       LYS  15  -5.476  -3.688   7.644
  107   2HE   LYS  15          2HE       LYS  15  -6.086  -2.599   6.386
  108   1HZ   LYS  15          1HZ       LYS  15  -6.604  -2.242   9.244
  109   2HZ   LYS  15          2HZ       LYS  15  -5.653  -1.403   8.459
  110   3HZ   LYS  15          3HZ       LYS  15  -7.116  -1.325   8.186
  111    H    THR  16           H        THR  16 -12.295  -3.158   6.325
  112    HA   THR  16           HA       THR  16 -12.129  -0.383   5.679
  113    HB   THR  16           HB       THR  16 -13.815  -1.973   7.612
  114    HG1  THR  16           HG1      THR  16 -15.419  -1.371   5.924
  115   1HG2  THR  16          3HG2      THR  16 -13.567   0.494   8.340
  116   2HG2  THR  16          1HG2      THR  16 -14.063   0.958   6.704
  117   3HG2  THR  16          2HG2      THR  16 -15.196   0.104   7.764
  118    H    CYS  17           H        CYS  17 -11.071   1.157   6.733
  119    HA   CYS  17           HA       CYS  17  -9.449   0.436   9.049
  120   1HB   CYS  17          1HB       CYS  17  -9.241   2.685   7.049
  121   2HB   CYS  17          2HB       CYS  17  -8.313   2.655   8.558
  122    H    SER  18           H        SER  18  -9.337   1.885  10.813
  123    HA   SER  18           HA       SER  18 -11.905   3.169  11.367
  124   1HB   SER  18          1HB       SER  18 -10.951   1.284  12.835
  125   2HB   SER  18          2HB       SER  18  -9.868   2.539  13.463
  126    HG   SER  18           HG       SER  18 -11.804   2.285  14.805
  127    H    GLY  19           H        GLY  19 -11.941   5.212  12.307
  128   1HA   GLY  19          1HA       GLY  19 -11.389   7.458  12.148
  129   2HA   GLY  19          2HA       GLY  19 -10.125   6.901  13.258
  130    H    GLU  20           H        GLU  20 -10.565   6.186   9.836
  131    HA   GLU  20           HA       GLU  20  -8.502   7.927   8.930
  132   1HB   GLU  20          1HB       GLU  20  -7.477   5.681  10.032
  133   2HB   GLU  20          2HB       GLU  20  -7.794   5.089   8.392
  134   1HG   GLU  20          1HG       GLU  20  -6.638   7.472   7.816
  135   2HG   GLU  20          2HG       GLU  20  -5.825   7.096   9.346
  136    H    THR  21           H        THR  21  -8.561   8.254   6.815
  137    HA   THR  21           HA       THR  21 -10.262   6.565   5.147
  138    HB   THR  21           HB       THR  21 -11.296   8.704   4.239
  139    HG1  THR  21           HG1      THR  21 -11.102  10.546   5.773
  140   1HG2  THR  21          3HG2      THR  21 -12.476   7.260   6.030
  141   2HG2  THR  21          1HG2      THR  21 -11.651   8.231   7.261
  142   3HG2  THR  21          2HG2      THR  21 -12.839   8.987   6.185
  143    H    ASN  22           H        ASN  22  -7.561   6.454   5.095
  144    HA   ASN  22           HA       ASN  22  -6.946   7.443   2.442
  145   1HB   ASN  22          1HB       ASN  22  -5.170   7.983   4.844
  146   2HB   ASN  22          2HB       ASN  22  -4.718   8.264   3.153
  147   1HD2  ASN  22          2HD2      ASN  22  -7.533  10.588   5.015
  148   2HD2  ASN  22          1HD2      ASN  22  -7.242   9.042   5.497
  149    H    CYS  23           H        CYS  23  -5.243   6.256   1.481
  150    HA   CYS  23           HA       CYS  23  -4.105   3.981   2.898
  151   1HB   CYS  23          1HB       CYS  23  -5.272   3.344   0.272
  152   2HB   CYS  23          2HB       CYS  23  -4.960   2.321   1.686
  153    OH   TYR  24           OH       TYR  24   2.369   1.554   5.320
  154    H    TYR  24           H        TYR  24  -2.233   3.226   1.882
  155    HA   TYR  24           HA       TYR  24  -1.202   4.697  -0.437
  156   1HB   TYR  24          1HB       TYR  24   0.783   5.257   0.740
  157   2HB   TYR  24          2HB       TYR  24  -0.539   5.644   1.855
  158    HD1  TYR  24           HD1      TYR  24   2.121   3.174   1.100
  159    HD2  TYR  24           HD2      TYR  24  -0.729   4.562   3.958
  160    HE1  TYR  24           HE1      TYR  24   3.181   1.706   2.878
  161    HE2  TYR  24           HE2      TYR  24   0.339   3.090   5.728
  162    HH   TYR  24           HH       TYR  24   1.838   1.677   6.258
  163    H    LYS  25           H        LYS  25   0.521   3.614  -1.486
  164    HA   LYS  25           HA       LYS  25   0.883   0.777  -0.822
  165   1HB   LYS  25          1HB       LYS  25   0.994   0.414  -3.329
  166   2HB   LYS  25          2HB       LYS  25  -0.580   0.577  -2.533
  167   1HG   LYS  25          1HG       LYS  25  -0.637   2.971  -3.188
  168   2HG   LYS  25          2HG       LYS  25   0.906   2.759  -4.034
  169   1HD   LYS  25          1HD       LYS  25  -0.795   0.699  -4.964
  170   2HD   LYS  25          2HD       LYS  25  -1.769   2.180  -4.953
  171   1HE   LYS  25          1HE       LYS  25   0.970   1.915  -6.236
  172   2HE   LYS  25          2HE       LYS  25  -0.570   1.832  -7.109
  173   1HZ   LYS  25          3HZ       LYS  25  -0.956   4.115  -6.360
  174   2HZ   LYS  25          1HZ       LYS  25   0.341   4.185  -5.626
  175   3HZ   LYS  25          2HZ       LYS  25   0.331   4.091  -7.113
  176    H    LYS  26           H        LYS  26   2.924   0.003  -1.127
  177    HA   LYS  26           HA       LYS  26   5.002   1.755  -2.196
  178   1HB   LYS  26          1HB       LYS  26   6.433   1.035  -0.211
  179   2HB   LYS  26          2HB       LYS  26   5.280   2.373  -0.050
  180   1HG   LYS  26          1HG       LYS  26   3.715   1.016   1.122
  181   2HG   LYS  26          2HG       LYS  26   4.569  -0.475   0.685
  182   1HD   LYS  26          1HD       LYS  26   5.753   1.707   2.429
  183   2HD   LYS  26          2HD       LYS  26   4.934   0.269   3.063
  184   1HE   LYS  26          1HE       LYS  26   6.633  -1.024   1.529
  185   2HE   LYS  26          2HE       LYS  26   7.562   0.483   1.616
  186   1HZ   LYS  26          3HZ       LYS  26   7.508   0.211   4.033
  187   2HZ   LYS  26          1HZ       LYS  26   6.727  -1.058   3.959
  188   3HZ   LYS  26          2HZ       LYS  26   8.127  -1.014   3.447
  189    CH2  TRP  27           CH2      TRP  27   4.556   3.126  -6.428
  190    H    TRP  27           H        TRP  27   6.750   0.637  -3.025
  191    HA   TRP  27           HA       TRP  27   6.876  -2.258  -2.905
  192   1HB   TRP  27          1HB       TRP  27   6.824  -2.594  -5.265
  193   2HB   TRP  27          2HB       TRP  27   5.299  -1.919  -4.667
  194    HD1  TRP  27           HD1      TRP  27   7.913  -1.314  -7.274
  195    HE1  TRP  27           HE1      TRP  27   7.465   0.893  -8.485
  196    HE3  TRP  27           HE3      TRP  27   4.404   0.559  -4.122
  197    HZ2  TRP  27           HZ2      TRP  27   5.833   3.187  -8.188
  198    HZ3  TRP  27           HZ3      TRP  27   3.435   2.789  -4.655
  199    HH2  TRP  27           HH2      TRP  27   4.098   4.093  -6.607
  200    CH2  TRP  28           CH2      TRP  28   9.382  -4.570   1.465
  201    H    TRP  28           H        TRP  28   8.894  -3.006  -3.814
  202    HA   TRP  28           HA       TRP  28  10.937  -1.214  -4.661
  203   1HB   TRP  28          1HB       TRP  28  12.353  -1.223  -2.809
  204   2HB   TRP  28          2HB       TRP  28  10.756  -0.934  -2.101
  205    HD1  TRP  28           HD1      TRP  28  13.443  -3.692  -2.334
  206    HE1  TRP  28           HE1      TRP  28  13.011  -5.407  -0.488
  207    HE3  TRP  28           HE3      TRP  28   9.011  -1.872  -0.660
  208    HZ2  TRP  28           HZ2      TRP  28  11.049  -5.970   1.473
  209    HZ3  TRP  28           HZ3      TRP  28   7.903  -3.064   1.225
  210    HH2  TRP  28           HH2      TRP  28   8.853  -5.047   2.283
  211    H    SER  29           H        SER  29  12.287  -2.255  -5.889
  212    HA   SER  29           HA       SER  29  11.955  -5.093  -6.271
  213   1HB   SER  29          1HB       SER  29  13.538  -4.776  -8.163
  214   2HB   SER  29          2HB       SER  29  12.115  -3.725  -8.267
  215    HG   SER  29           HG       SER  29  14.106  -2.579  -8.838
  216    H    ASP  30           H        ASP  30  13.583  -6.600  -6.133
  217    HA   ASP  30           HA       ASP  30  15.783  -5.904  -4.317
  218   1HB   ASP  30          1HB       ASP  30  15.779  -8.246  -3.623
  219   2HB   ASP  30          2HB       ASP  30  14.195  -7.500  -3.345
  220    H    HIS  31           H        HIS  31  17.214  -8.239  -4.641
  221    HA   HIS  31           HA       HIS  31  18.957  -7.753  -6.683
  222   1HB   HIS  31          1HB       HIS  31  18.436 -10.040  -4.951
  223   2HB   HIS  31          2HB       HIS  31  19.296 -10.379  -6.464
  224    HD2  HIS  31           HD2      HIS  31  21.609  -8.435  -6.755
  225    HE1  HIS  31           HE1      HIS  31  22.237  -8.504  -2.557
  226    NH1  ARG  32           NH2      ARG  32  18.693 -14.078 -13.612
  227    NH2  ARG  32           NH1      ARG  32  20.563 -14.671 -12.378
  228    H    ARG  32           H        ARG  32  16.517 -10.329  -6.694
  229    HA   ARG  32           HA       ARG  32  16.001  -9.856  -9.522
  230   1HB   ARG  32          1HB       ARG  32  17.158 -12.324  -8.321
  231   2HB   ARG  32          2HB       ARG  32  15.878 -12.547  -9.527
  232   1HG   ARG  32          1HG       ARG  32  17.419 -10.664 -10.760
  233   2HG   ARG  32          2HG       ARG  32  18.651 -11.562  -9.858
  234   1HD   ARG  32          1HD       ARG  32  16.821 -13.424 -11.077
  235   2HD   ARG  32          2HD       ARG  32  17.409 -12.290 -12.306
  236    HE   ARG  32           HE       ARG  32  19.430 -13.450 -10.576
  237   1HH1  ARG  32          1HH2      ARG  32  17.852 -13.640 -13.662
  238   2HH1  ARG  32          2HH2      ARG  32  19.043 -14.525 -14.375
  239   1HH2  ARG  32          1HH1      ARG  32  21.050 -14.658 -11.563
  240   2HH2  ARG  32          2HH1      ARG  32  20.919 -15.120 -13.137
  241    H    GLY  33           H        GLY  33  14.279  -8.944  -7.863
  242   1HA   GLY  33          1HA       GLY  33  11.901 -10.387  -8.338
  243   2HA   GLY  33          2HA       GLY  33  12.375 -10.499  -6.633
  244    H    THR  34           H        THR  34  10.178  -9.374  -6.625
  245    HA   THR  34           HA       THR  34  10.605  -6.552  -6.150
  246    HB   THR  34           HB       THR  34   8.770  -7.671  -8.301
  247    HG1  THR  34           HG1      THR  34   9.870  -5.884  -9.477
  248   1HG2  THR  34          3HG2      THR  34   7.476  -5.988  -6.830
  249   2HG2  THR  34          1HG2      THR  34   8.789  -4.833  -7.108
  250   3HG2  THR  34          2HG2      THR  34   7.788  -5.379  -8.464
  251    H    ILE  35           H        ILE  35   9.887  -6.129  -4.281
  252    HA   ILE  35           HA       ILE  35   7.725  -7.735  -3.134
  253    HB   ILE  35           HB       ILE  35   9.777  -5.964  -1.765
  254   1HG1  ILE  35          1HG1      ILE  35   9.781  -8.793  -1.077
  255   2HG1  ILE  35          2HG1      ILE  35  10.088  -8.546  -2.805
  256   1HG2  ILE  35          1HG2      ILE  35   7.643  -7.683  -0.553
  257   2HG2  ILE  35          2HG2      ILE  35   8.944  -6.856   0.322
  258   3HG2  ILE  35          3HG2      ILE  35   7.726  -5.913  -0.555
  259   1HD1  ILE  35          1HD1      ILE  35  11.593  -7.206  -0.527
  260   2HD1  ILE  35          2HD1      ILE  35  12.196  -8.544  -1.520
  261   3HD1  ILE  35          3HD1      ILE  35  11.900  -6.960  -2.255
  262    H    ILE  36           H        ILE  36   5.920  -6.902  -2.386
  263    HA   ILE  36           HA       ILE  36   5.442  -4.042  -2.821
  264    HB   ILE  36           HB       ILE  36   3.296  -6.097  -3.309
  265   1HG1  ILE  36          1HG1      ILE  36   5.319  -6.648  -4.731
  266   2HG1  ILE  36          2HG1      ILE  36   3.850  -6.244  -5.636
  267   1HG2  ILE  36          3HG2      ILE  36   2.572  -3.846  -3.030
  268   2HG2  ILE  36          1HG2      ILE  36   3.681  -3.295  -4.297
  269   3HG2  ILE  36          2HG2      ILE  36   2.337  -4.374  -4.706
  270   1HD1  ILE  36          1HD1      ILE  36   6.149  -4.343  -5.049
  271   2HD1  ILE  36          2HD1      ILE  36   5.825  -5.124  -6.606
  272   3HD1  ILE  36          3HD1      ILE  36   4.681  -3.939  -5.954
  273    H    GLU  37           H        GLU  37   3.959  -3.060  -1.510
  274    HA   GLU  37           HA       GLU  37   2.868  -4.446   0.760
  275   1HB   GLU  37          1HB       GLU  37   5.027  -4.111   1.701
  276   2HB   GLU  37          2HB       GLU  37   5.150  -2.477   1.025
  277   1HG   GLU  37          1HG       GLU  37   4.670  -2.380   3.428
  278   2HG   GLU  37          2HG       GLU  37   3.305  -1.741   2.495
  279    NH1  ARG  38           NH2      ARG  38  -1.869  -4.752  -2.346
  280    NH2  ARG  38           NH1      ARG  38  -1.472  -4.476  -4.614
  281    H    ARG  38           H        ARG  38   1.204  -3.441   1.664
  282    HA   ARG  38           HA       ARG  38   0.551  -0.714   0.877
  283   1HB   ARG  38          1HB       ARG  38  -1.175  -3.152   0.397
  284   2HB   ARG  38          2HB       ARG  38  -1.851  -1.517   0.502
  285   1HG   ARG  38          1HG       ARG  38  -1.507  -1.806  -1.800
  286   2HG   ARG  38          2HG       ARG  38  -0.069  -0.907  -1.286
  287   1HD   ARG  38          1HD       ARG  38   1.321  -2.625  -1.782
  288   2HD   ARG  38          2HD       ARG  38   0.225  -3.830  -1.087
  289    HE   ARG  38           HE       ARG  38   0.326  -2.991  -3.845
  290   1HH1  ARG  38          1HH2      ARG  38  -1.644  -4.548  -1.446
  291   2HH1  ARG  38          2HH2      ARG  38  -2.589  -5.344  -2.534
  292   1HH2  ARG  38          1HH1      ARG  38  -0.974  -4.084  -5.321
  293   2HH2  ARG  38          2HH1      ARG  38  -2.189  -5.067  -4.810
  294    H    GLY  39           H        GLY  39  -1.225   0.159   2.140
  295   1HA   GLY  39          1HA       GLY  39  -2.303  -1.032   4.424
  296   2HA   GLY  39          2HA       GLY  39  -0.850  -0.125   4.880
  297    H    CYS  40           H        CYS  40  -2.840   0.863   6.079
  298    HA   CYS  40           HA       CYS  40  -4.215   2.902   4.519
  299   1HB   CYS  40          1HB       CYS  40  -4.767   1.533   7.016
  300   2HB   CYS  40          2HB       CYS  40  -5.052   3.281   7.059
  301    H    GLY  41           H        GLY  41  -4.313   5.065   5.701
  302   1HA   GLY  41          1HA       GLY  41  -3.347   6.893   6.732
  303   2HA   GLY  41          2HA       GLY  41  -2.031   5.834   7.264
  304    H    CYS  42           H        CYS  42  -0.652   7.603   6.624
  305    HA   CYS  42           HA       CYS  42   0.303   7.322   3.910
  306   1HB   CYS  42          1HB       CYS  42  -1.346   9.040   3.631
  307   2HB   CYS  42          2HB       CYS  42  -0.582  10.000   4.909
  308    HA   PRO  43           HA       PRO  43   3.566   7.738   7.007
  309   1HB   PRO  43          1HB       PRO  43   5.223   5.826   5.860
  310   2HB   PRO  43          2HB       PRO  43   4.027   5.509   7.128
  311   1HG   PRO  43          1HG       PRO  43   3.934   4.834   4.263
  312   2HG   PRO  43          2HG       PRO  43   2.986   4.170   5.605
  313   1HD   PRO  43          2HD       PRO  43   2.128   6.068   3.643
  314   2HD   PRO  43          1HD       PRO  43   1.222   5.494   5.053
  315    H    LYS  44           H        LYS  44   6.048   7.944   6.531
  316    HA   LYS  44           HA       LYS  44   6.319   9.985   4.494
  317   1HB   LYS  44          1HB       LYS  44   7.193  10.207   6.901
  318   2HB   LYS  44          2HB       LYS  44   8.460   9.062   6.424
  319   1HG   LYS  44          1HG       LYS  44   9.568  10.612   5.198
  320   2HG   LYS  44          2HG       LYS  44   8.073  11.296   4.536
  321   1HD   LYS  44          1HD       LYS  44   8.014  11.986   7.246
  322   2HD   LYS  44          2HD       LYS  44   9.706  12.214   6.769
  323   1HE   LYS  44          1HE       LYS  44   9.180  14.114   5.704
  324   2HE   LYS  44          2HE       LYS  44   8.002  13.251   4.698
  325   1HZ   LYS  44          1HZ       LYS  44   7.395  14.354   7.339
  326   2HZ   LYS  44          2HZ       LYS  44   6.926  14.956   6.058
  327   3HZ   LYS  44          3HZ       LYS  44   6.405  13.628   6.494
  328    H    VAL  45           H        VAL  45   7.139   9.752   2.627
  329    HA   VAL  45           HA       VAL  45   7.959   7.169   1.692
  330    HB   VAL  45           HB       VAL  45   6.517   8.593   0.352
  331   1HG1  VAL  45          3HG1      VAL  45   7.349  10.761   0.968
  332   2HG1  VAL  45          1HG1      VAL  45   8.888  10.432   0.155
  333   3HG1  VAL  45          2HG1      VAL  45   7.394  10.549  -0.790
  334   1HG2  VAL  45          3HG2      VAL  45   9.243   8.066  -0.887
  335   2HG2  VAL  45          1HG2      VAL  45   7.930   6.885  -0.739
  336   3HG2  VAL  45          2HG2      VAL  45   7.730   8.307  -1.777
  337    H    LYS  46           H        LYS  46   9.946   6.490   2.031
  338    HA   LYS  46           HA       LYS  46  12.159   8.360   2.332
  339   1HB   LYS  46          1HB       LYS  46  11.784   5.438   3.008
  340   2HB   LYS  46          2HB       LYS  46  13.393   6.181   2.963
  341   1HG   LYS  46          1HG       LYS  46  12.660   7.857   4.622
  342   2HG   LYS  46          2HG       LYS  46  11.060   7.097   4.677
  343   1HD   LYS  46          1HD       LYS  46  12.395   4.926   5.262
  344   2HD   LYS  46          2HD       LYS  46  13.697   6.049   5.687
  345   1HE   LYS  46          1HE       LYS  46  12.049   7.252   7.179
  346   2HE   LYS  46          2HE       LYS  46  10.906   5.933   6.871
  347   1HZ   LYS  46          1HZ       LYS  46  13.527   5.563   8.118
  348   2HZ   LYS  46          2HZ       LYS  46  12.236   5.507   8.862
  349   3HZ   LYS  46          3HZ       LYS  46  12.566   4.453   7.859
  350    HA   PRO  47           HA       PRO  47  13.780   7.691  -1.576
  351   1HB   PRO  47          1HB       PRO  47  16.489   8.023  -1.064
  352   2HB   PRO  47          2HB       PRO  47  15.333   9.356  -1.235
  353   1HG   PRO  47          1HG       PRO  47  16.635   8.310   1.192
  354   2HG   PRO  47          2HG       PRO  47  15.836   9.870   0.929
  355   1HD   PRO  47          2HD       PRO  47  14.800   7.601   2.328
  356   2HD   PRO  47          1HD       PRO  47  13.958   9.117   1.963
  357    H    GLY  48           H        GLY  48  14.282   6.060  -2.810
  358   1HA   GLY  48          1HA       GLY  48  15.614   4.172  -3.440
  359   2HA   GLY  48          2HA       GLY  48  15.783   3.801  -1.715
  360    H    VAL  49           H        VAL  49  12.946   4.347  -1.230
  361    HA   VAL  49           HA       VAL  49  11.786   1.907  -2.378
  362    HB   VAL  49           HB       VAL  49  11.269   3.230   0.308
  363   1HG1  VAL  49          3HG1      VAL  49   9.212   2.355  -0.568
  364   2HG1  VAL  49          1HG1      VAL  49   9.977   0.788  -0.878
  365   3HG1  VAL  49          2HG1      VAL  49   9.788   1.367   0.785
  366   1HG2  VAL  49          1HG2      VAL  49  13.395   1.976   0.222
  367   2HG2  VAL  49          2HG2      VAL  49  12.206   1.148   1.242
  368   3HG2  VAL  49          3HG2      VAL  49  12.534   0.557  -0.395
  369    H    ASN  50           H        ASN  50   9.829   1.940  -3.239
  370    HA   ASN  50           HA       ASN  50   8.832   4.519  -4.081
  371   1HB   ASN  50          1HB       ASN  50   7.911   1.718  -4.809
  372   2HB   ASN  50          2HB       ASN  50   7.326   3.222  -5.542
  373   1HD2  ASN  50          2HD2      ASN  50  10.324   1.368  -7.161
  374   2HD2  ASN  50          1HD2      ASN  50   9.111   0.738  -6.245
  375    H    LEU  51           H        LEU  51   7.060   5.424  -3.245
  376    HA   LEU  51           HA       LEU  51   4.974   3.922  -1.953
  377   1HB   LEU  51          1HB       LEU  51   6.274   4.105  -0.026
  378   2HB   LEU  51          2HB       LEU  51   6.870   5.715  -0.467
  379    HG   LEU  51           HG       LEU  51   4.672   6.669   0.055
  380   1HD1  LEU  51          3HD1      LEU  51   3.258   4.854  -0.558
  381   2HD1  LEU  51          1HD1      LEU  51   3.852   3.885   0.801
  382   3HD1  LEU  51          2HD1      LEU  51   2.929   5.366   1.106
  383   1HD2  LEU  51          3HD2      LEU  51   5.782   4.929   2.287
  384   2HD2  LEU  51          1HD2      LEU  51   6.373   6.538   1.842
  385   3HD2  LEU  51          2HD2      LEU  51   4.739   6.346   2.501
  386    H    ASN  52           H        ASN  52   3.103   4.733  -2.296
  387    HA   ASN  52           HA       ASN  52   2.887   7.515  -3.188
  388   1HB   ASN  52          1HB       ASN  52   2.657   5.530  -4.961
  389   2HB   ASN  52          2HB       ASN  52   1.013   5.469  -4.302
  390   1HD2  ASN  52          2HD2      ASN  52   1.628   7.885  -7.198
  391   2HD2  ASN  52          1HD2      ASN  52   2.274   6.402  -6.894
  392    H    CYS  53           H        CYS  53   1.272   8.599  -2.229
  393    HA   CYS  53           HA       CYS  53  -0.556   7.152  -0.457
  394   1HB   CYS  53          1HB       CYS  53   0.639   9.907  -0.319
  395   2HB   CYS  53          2HB       CYS  53  -0.871   9.528   0.528
  396    H    CYS  54           H        CYS  54  -2.695   7.487  -0.588
  397    HA   CYS  54           HA       CYS  54  -3.815   9.384  -2.453
  398   1HB   CYS  54          1HB       CYS  54  -5.253   7.343  -3.330
  399   2HB   CYS  54          2HB       CYS  54  -3.723   7.805  -4.096
  400    NH1  ARG  55           NH2      ARG  55  -6.952  15.507   1.607
  401    NH2  ARG  55           NH1      ARG  55  -7.755  14.513   3.541
  402    H    ARG  55           H        ARG  55  -6.123   9.504  -2.248
  403    HA   ARG  55           HA       ARG  55  -7.006   8.823   0.461
  404   1HB   ARG  55          1HB       ARG  55  -8.072  10.997  -1.347
  405   2HB   ARG  55          2HB       ARG  55  -8.527  10.690   0.338
  406   1HG   ARG  55          1HG       ARG  55  -6.197  11.154   1.037
  407   2HG   ARG  55          2HG       ARG  55  -5.771  11.497  -0.649
  408   1HD   ARG  55          1HD       ARG  55  -6.217  13.647   0.003
  409   2HD   ARG  55          2HD       ARG  55  -7.878  13.165  -0.384
  410    HE   ARG  55           HE       ARG  55  -7.730  12.469   2.178
  411   1HH1  ARG  55          1HH2      ARG  55  -6.683  15.430   0.699
  412   2HH1  ARG  55          2HH2      ARG  55  -6.923  16.352   2.041
  413   1HH2  ARG  55          1HH1      ARG  55  -8.053  13.741   4.007
  414   2HH2  ARG  55          2HH1      ARG  55  -7.728  15.354   3.982
  415    H    THR  56           H        THR  56  -7.173   7.379  -2.258
  416    HA   THR  56           HA       THR  56 -10.067   7.008  -2.432
  417    HB   THR  56           HB       THR  56  -9.229   5.710  -4.582
  418    HG1  THR  56           HG1      THR  56  -7.196   6.759  -5.325
  419   1HG2  THR  56          3HG2      THR  56 -10.470   7.976  -4.582
  420   2HG2  THR  56          1HG2      THR  56  -8.901   8.762  -4.343
  421   3HG2  THR  56          2HG2      THR  56  -9.226   7.870  -5.838
  422    H    ASP  57           H        ASP  57 -10.972   5.033  -2.113
  423    HA   ASP  57           HA       ASP  57  -9.751   3.218  -0.341
  424   1HB   ASP  57          1HB       ASP  57 -12.324   3.379  -1.812
  425   2HB   ASP  57          2HB       ASP  57 -11.784   1.756  -1.350
  426    NH1  ARG  58           NH2      ARG  58 -10.135  -5.510  -5.235
  427    NH2  ARG  58           NH1      ARG  58 -10.411  -4.278  -7.179
  428    H    ARG  58           H        ARG  58  -8.964   1.181  -0.727
  429    HA   ARG  58           HA       ARG  58  -7.692  -0.395  -1.805
  430   1HB   ARG  58          1HB       ARG  58 -10.171  -0.801  -2.547
  431   2HB   ARG  58          2HB       ARG  58  -9.583  -0.220  -4.115
  432   1HG   ARG  58          1HG       ARG  58  -8.031  -1.983  -4.317
  433   2HG   ARG  58          2HG       ARG  58  -8.117  -2.375  -2.591
  434   1HD   ARG  58          1HD       ARG  58  -9.459  -4.060  -3.381
  435   2HD   ARG  58          2HD       ARG  58 -10.693  -2.795  -3.240
  436    HE   ARG  58           HE       ARG  58 -10.076  -2.354  -5.690
  437   1HH1  ARG  58          1HH2      ARG  58  -9.979  -5.534  -4.299
  438   2HH1  ARG  58          2HH2      ARG  58 -10.252  -6.319  -5.719
  439   1HH2  ARG  58          1HH1      ARG  58 -10.450  -3.439  -7.625
  440   2HH2  ARG  58          2HH1      ARG  58 -10.528  -5.083  -7.670
  441    H    CYS  59           H        CYS  59  -7.316   2.533  -2.420
  442    HA   CYS  59           HA       CYS  59  -6.502   2.773  -5.138
  443   1HB   CYS  59          1HB       CYS  59  -5.731   4.891  -4.660
  444   2HB   CYS  59          2HB       CYS  59  -7.211   4.672  -3.710
  445    H    ASN  60           H        ASN  60  -5.157   1.555  -2.231
  446    HA   ASN  60           HA       ASN  60  -2.411   1.615  -3.160
  447   1HB   ASN  60          1HB       ASN  60  -2.038   0.294  -0.990
  448   2HB   ASN  60          2HB       ASN  60  -2.574   1.974  -0.816
  449   1HD2  ASN  60          2HD2      ASN  60  -4.527   0.035   1.517
  450   2HD2  ASN  60          1HD2      ASN  60  -2.961   0.486   1.287
  451    H    ASN  61           H        ASN  61  -2.524   0.250  -4.937
  452    HA   ASN  61           HA       ASN  61  -2.637  -2.598  -4.328
  453   1HB   ASN  61          1HB       ASN  61  -4.830  -2.209  -5.262
  454   2HB   ASN  61          2HB       ASN  61  -4.153  -1.223  -6.570
  455   1HD2  ASN  61          2HD2      ASN  61  -4.700  -5.094  -7.024
  456   2HD2  ASN  61          1HD2      ASN  61  -5.386  -4.140  -5.872
   
  Start of MODEL          14
 Raw file had 456 H/Q atoms
  Start of MODEL   14
    1   1H    LEU   1          2H        LEU   1 -13.719   3.377   5.227
    2   2H    LEU   1          3H        LEU   1 -12.531   4.038   5.840
    3   3H    LEU   1          1H        LEU   1 -13.525   4.847   5.078
    4    HA   LEU   1           HA       LEU   1 -12.977   3.803   2.978
    5   1HB   LEU   1          1HB       LEU   1 -11.623   5.802   4.108
    6   2HB   LEU   1          2HB       LEU   1 -10.337   4.582   4.120
    7    HG   LEU   1           HG       LEU   1 -11.637   4.798   1.522
    8   1HD1  LEU   1          1HD1      LEU   1 -10.176   7.227   2.621
    9   2HD1  LEU   1          2HD1      LEU   1 -10.662   6.987   0.934
   10   3HD1  LEU   1          3HD1      LEU   1 -11.894   7.162   2.195
   11   1HD2  LEU   1          3HD2      LEU   1  -8.783   4.984   2.409
   12   2HD2  LEU   1          1HD2      LEU   1  -9.645   3.540   1.854
   13   3HD2  LEU   1          2HD2      LEU   1  -9.356   4.883   0.735
   14    H    GLU   2           H        GLU   2 -12.540   2.007   2.095
   15    HA   GLU   2           HA       GLU   2 -11.264  -0.091   3.663
   16   1HB   GLU   2          1HB       GLU   2 -13.503  -0.095   1.982
   17   2HB   GLU   2          2HB       GLU   2 -12.237  -0.905   1.042
   18   1HG   GLU   2          1HG       GLU   2 -12.120  -2.683   2.476
   19   2HG   GLU   2          2HG       GLU   2 -12.483  -1.695   3.900
   20    H    CYS   3           H        CYS   3  -9.220  -0.340   3.476
   21    HA   CYS   3           HA       CYS   3  -7.840   0.370   0.994
   22   1HB   CYS   3          1HB       CYS   3  -6.733  -0.029   3.747
   23   2HB   CYS   3          2HB       CYS   3  -5.791   0.325   2.288
   24    H    HIS   4           H        HIS   4  -6.195  -1.120   0.271
   25    HA   HIS   4           HA       HIS   4  -7.089  -3.821   0.197
   26   1HB   HIS   4          1HB       HIS   4  -5.181  -2.166  -1.235
   27   2HB   HIS   4          2HB       HIS   4  -4.484  -3.744  -0.828
   28    HD2  HIS   4           HD2      HIS   4  -6.138  -2.349  -3.764
   29    HE1  HIS   4           HE1      HIS   4  -7.750  -6.272  -3.547
   30    H    ASN   5           H        ASN   5  -5.647  -5.631   0.633
   31    HA   ASN   5           HA       ASN   5  -4.110  -5.231   3.103
   32   1HB   ASN   5          1HB       ASN   5  -6.507  -6.800   2.712
   33   2HB   ASN   5          2HB       ASN   5  -5.147  -7.870   3.097
   34   1HD2  ASN   5          2HD2      ASN   5  -6.571  -7.042   6.275
   35   2HD2  ASN   5          1HD2      ASN   5  -6.902  -7.937   4.935
   36    H    GLN   6           H        GLN   6  -4.793  -7.387   0.388
   37    HA   GLN   6           HA       GLN   6  -2.895  -9.274   0.461
   38   1HB   GLN   6          1HB       GLN   6  -2.668  -8.803  -2.115
   39   2HB   GLN   6          2HB       GLN   6  -4.120  -9.525  -1.401
   40   1HG   GLN   6          1HG       GLN   6  -5.394  -7.674  -1.789
   41   2HG   GLN   6          2HG       GLN   6  -4.053  -6.557  -1.482
   42   1HE2  GLN   6          2HE2      GLN   6  -3.956  -5.828  -4.808
   43   2HE2  GLN   6          1HE2      GLN   6  -4.158  -5.332  -3.252
   44    H    GLN   7           H        GLN   7  -0.742  -9.449   0.029
   45    HA   GLN   7           HA       GLN   7   0.804  -6.966  -0.218
   46   1HB   GLN   7          1HB       GLN   7   0.849  -8.804   1.893
   47   2HB   GLN   7          2HB       GLN   7   2.361  -9.017   0.994
   48   1HG   GLN   7          1HG       GLN   7   2.449  -6.403   1.025
   49   2HG   GLN   7          2HG       GLN   7   1.293  -6.555   2.361
   50   1HE2  GLN   7          2HE2      GLN   7   3.764  -6.944   4.645
   51   2HE2  GLN   7          1HE2      GLN   7   2.331  -6.283   4.176
   52    H    SER   8           H        SER   8   2.754  -7.124  -1.379
   53    HA   SER   8           HA       SER   8   4.065  -7.681  -3.171
   54   1HB   SER   8          1HB       SER   8   3.521 -10.255  -1.813
   55   2HB   SER   8          2HB       SER   8   4.186 -10.311  -3.454
   56    HG   SER   8           HG       SER   8   5.886 -10.359  -1.806
   57    H    SER   9           H        SER   9   2.281 -10.583  -3.644
   58    HA   SER   9           HA       SER   9   0.664  -9.404  -5.771
   59   1HB   SER   9          1HB       SER   9   1.208 -11.450  -7.169
   60   2HB   SER   9          2HB       SER   9   2.517 -10.269  -6.993
   61    HG   SER   9           HG       SER   9   3.296 -12.494  -6.777
   62    H    GLN  10           H        GLN  10  -0.223 -10.039  -3.272
   63    HA   GLN  10           HA       GLN  10  -1.372 -12.637  -3.121
   64   1HB   GLN  10          1HB       GLN  10  -1.197 -10.336  -1.410
   65   2HB   GLN  10          2HB       GLN  10  -2.841 -10.998  -1.437
   66   1HG   GLN  10          1HG       GLN  10  -2.227 -12.868  -0.331
   67   2HG   GLN  10          2HG       GLN  10  -0.757 -13.064  -1.303
   68   1HE2  GLN  10          2HE2      GLN  10   1.343 -12.023   1.137
   69   2HE2  GLN  10          1HE2      GLN  10   1.043 -12.880  -0.236
   70    HA   PRO  11           HA       PRO  11  -5.169 -12.010  -5.129
   71   1HB   PRO  11          1HB       PRO  11  -7.098 -12.872  -3.323
   72   2HB   PRO  11          2HB       PRO  11  -6.087 -13.933  -4.321
   73   1HG   PRO  11          1HG       PRO  11  -5.930 -13.377  -1.433
   74   2HG   PRO  11          2HG       PRO  11  -5.237 -14.721  -2.358
   75   1HD   PRO  11          2HD       PRO  11  -3.870 -12.422  -1.345
   76   2HD   PRO  11          1HD       PRO  11  -3.204 -13.705  -2.369
   77    HA   PRO  12           HA       PRO  12  -7.228  -8.305  -4.086
   78   1HB   PRO  12          1HB       PRO  12  -9.838  -8.740  -4.926
   79   2HB   PRO  12          2HB       PRO  12  -8.490  -8.358  -6.010
   80   1HG   PRO  12          1HG       PRO  12  -9.889 -10.917  -5.598
   81   2HG   PRO  12          2HG       PRO  12  -8.860 -10.404  -6.947
   82   1HD   PRO  12          2HD       PRO  12  -8.165 -12.165  -4.804
   83   2HD   PRO  12          1HD       PRO  12  -7.102 -11.558  -6.085
   84    H    THR  13           H        THR  13  -7.260  -7.950  -2.008
   85    HA   THR  13           HA       THR  13  -9.642  -8.698  -0.500
   86    HB   THR  13           HB       THR  13  -8.166  -9.289   1.431
   87    HG1  THR  13           HG1      THR  13  -5.906  -9.992   0.606
   88   1HG2  THR  13          3HG2      THR  13  -9.282 -11.036   0.093
   89   2HG2  THR  13          1HG2      THR  13  -7.925 -11.034  -1.044
   90   3HG2  THR  13          2HG2      THR  13  -7.678 -11.564   0.628
   91    H    THR  14           H        THR  14 -10.313  -7.152   0.869
   92    HA   THR  14           HA       THR  14  -8.622  -4.819   1.400
   93    HB   THR  14           HB       THR  14 -11.509  -4.347   0.875
   94    HG1  THR  14           HG1      THR  14 -10.909  -4.328  -1.559
   95   1HG2  THR  14          1HG2      THR  14  -8.994  -2.925  -0.061
   96   2HG2  THR  14          2HG2      THR  14 -10.656  -2.350  -0.280
   97   3HG2  THR  14          3HG2      THR  14  -9.971  -2.478   1.348
   98    H    LYS  15           H        LYS  15  -9.652  -3.406   3.056
   99    HA   LYS  15           HA       LYS  15 -11.312  -4.707   5.015
  100   1HB   LYS  15          1HB       LYS  15  -8.817  -5.482   5.215
  101   2HB   LYS  15          2HB       LYS  15  -8.705  -3.982   6.151
  102   1HG   LYS  15          1HG       LYS  15  -9.533  -5.151   7.885
  103   2HG   LYS  15          2HG       LYS  15 -11.083  -5.135   7.028
  104   1HD   LYS  15          1HD       LYS  15 -10.306  -7.238   5.830
  105   2HD   LYS  15          2HD       LYS  15  -8.957  -7.291   6.978
  106   1HE   LYS  15          1HE       LYS  15 -11.360  -6.898   8.471
  107   2HE   LYS  15          2HE       LYS  15 -11.638  -8.230   7.335
  108   1HZ   LYS  15          1HZ       LYS  15  -9.398  -8.132   9.216
  109   2HZ   LYS  15          2HZ       LYS  15 -10.585  -9.017   9.382
  110   3HZ   LYS  15          3HZ       LYS  15  -9.631  -9.252   8.260
  111    H    THR  16           H        THR  16 -11.914  -3.246   6.689
  112    HA   THR  16           HA       THR  16 -12.003  -0.481   5.843
  113    HB   THR  16           HB       THR  16 -13.372  -2.142   7.992
  114    HG1  THR  16           HG1      THR  16 -15.244  -1.434   6.659
  115   1HG2  THR  16          3HG2      THR  16 -12.989   0.266   8.845
  116   2HG2  THR  16          1HG2      THR  16 -13.762   0.846   7.360
  117   3HG2  THR  16          2HG2      THR  16 -14.695  -0.095   8.536
  118    H    CYS  17           H        CYS  17 -11.058   1.184   6.710
  119    HA   CYS  17           HA       CYS  17  -8.871   0.675   8.552
  120   1HB   CYS  17          1HB       CYS  17  -9.527   3.268   7.149
  121   2HB   CYS  17          2HB       CYS  17  -8.010   2.820   7.948
  122    H    SER  18           H        SER  18  -8.514   2.382  10.218
  123    HA   SER  18           HA       SER  18 -10.870   2.554  11.862
  124   1HB   SER  18          1HB       SER  18  -8.347   2.057  12.527
  125   2HB   SER  18          2HB       SER  18  -8.346   3.815  12.744
  126    HG   SER  18           HG       SER  18  -8.881   2.676  14.750
  127    H    GLY  19           H        GLY  19 -10.268   4.885  13.253
  128   1HA   GLY  19          1HA       GLY  19 -11.758   6.838  12.195
  129   2HA   GLY  19          2HA       GLY  19 -10.366   7.192  13.233
  130    H    GLU  20           H        GLU  20  -8.528   6.004  11.266
  131    HA   GLU  20           HA       GLU  20  -8.016   8.351   9.713
  132   1HB   GLU  20          1HB       GLU  20  -6.125   7.303  10.645
  133   2HB   GLU  20          2HB       GLU  20  -6.555   5.738   9.933
  134   1HG   GLU  20          1HG       GLU  20  -6.486   7.318   7.707
  135   2HG   GLU  20          2HG       GLU  20  -5.240   8.089   8.704
  136    H    THR  21           H        THR  21  -8.467   8.657   7.638
  137    HA   THR  21           HA       THR  21  -9.508   6.434   6.019
  138    HB   THR  21           HB       THR  21 -11.226   8.100   6.880
  139    HG1  THR  21           HG1      THR  21 -12.093   8.375   4.545
  140   1HG2  THR  21          3HG2      THR  21  -9.878  10.159   6.706
  141   2HG2  THR  21          1HG2      THR  21  -9.817   9.970   4.945
  142   3HG2  THR  21          2HG2      THR  21 -11.364  10.281   5.748
  143    H    ASN  22           H        ASN  22  -7.231   6.251   5.523
  144    HA   ASN  22           HA       ASN  22  -6.653   7.713   3.080
  145   1HB   ASN  22          1HB       ASN  22  -4.853   7.625   5.510
  146   2HB   ASN  22          2HB       ASN  22  -4.203   7.846   3.877
  147   1HD2  ASN  22          2HD2      ASN  22  -6.448  10.714   5.728
  148   2HD2  ASN  22          1HD2      ASN  22  -6.482   9.142   6.213
  149    H    CYS  23           H        CYS  23  -4.962   6.642   1.856
  150    HA   CYS  23           HA       CYS  23  -4.354   3.879   2.580
  151   1HB   CYS  23          1HB       CYS  23  -5.770   4.679   0.072
  152   2HB   CYS  23          2HB       CYS  23  -4.921   3.140   0.291
  153    OH   TYR  24           OH       TYR  24   1.553   0.616   5.527
  154    H    TYR  24           H        TYR  24  -2.388   3.263   1.843
  155    HA   TYR  24           HA       TYR  24  -0.927   4.946  -0.039
  156   1HB   TYR  24          1HB       TYR  24   0.901   5.160   1.515
  157   2HB   TYR  24          2HB       TYR  24  -0.549   5.464   2.487
  158    HD1  TYR  24           HD1      TYR  24   1.646   2.603   1.462
  159    HD2  TYR  24           HD2      TYR  24  -0.720   4.401   4.529
  160    HE1  TYR  24           HE1      TYR  24   2.334   0.770   3.077
  161    HE2  TYR  24           HE2      TYR  24  -0.022   2.563   6.133
  162    HH   TYR  24           HH       TYR  24   1.086   0.785   6.492
  163    H    LYS  25           H        LYS  25   0.896   3.902  -0.965
  164    HA   LYS  25           HA       LYS  25   0.975   0.981  -0.716
  165   1HB   LYS  25          1HB       LYS  25   1.420   1.917  -3.419
  166   2HB   LYS  25          2HB       LYS  25   0.479   0.553  -2.792
  167   1HG   LYS  25          1HG       LYS  25  -1.391   1.972  -2.288
  168   2HG   LYS  25          2HG       LYS  25  -0.444   3.433  -2.614
  169   1HD   LYS  25          1HD       LYS  25  -0.150   2.401  -4.998
  170   2HD   LYS  25          2HD       LYS  25  -1.557   1.418  -4.554
  171   1HE   LYS  25          1HE       LYS  25  -2.436   3.330  -5.666
  172   2HE   LYS  25          2HE       LYS  25  -2.715   3.613  -3.939
  173   1HZ   LYS  25          3HZ       LYS  25  -0.736   5.029  -3.995
  174   2HZ   LYS  25          1HZ       LYS  25  -0.501   4.790  -5.449
  175   3HZ   LYS  25          2HZ       LYS  25  -1.703   5.552  -5.003
  176    H    LYS  26           H        LYS  26   2.988   0.116  -0.844
  177    HA   LYS  26           HA       LYS  26   5.283   1.809  -1.467
  178   1HB   LYS  26          1HB       LYS  26   6.332   0.636   0.637
  179   2HB   LYS  26          2HB       LYS  26   5.513   2.206   0.687
  180   1HG   LYS  26          1HG       LYS  26   3.572   1.307   1.641
  181   2HG   LYS  26          2HG       LYS  26   3.957  -0.339   1.107
  182   1HD   LYS  26          1HD       LYS  26   4.330  -0.237   3.484
  183   2HD   LYS  26          2HD       LYS  26   5.915  -0.306   2.695
  184   1HE   LYS  26          1HE       LYS  26   6.173   2.116   2.946
  185   2HE   LYS  26          2HE       LYS  26   4.557   2.232   3.663
  186   1HZ   LYS  26          1HZ       LYS  26   6.781   0.771   4.881
  187   2HZ   LYS  26          2HZ       LYS  26   6.277   2.085   5.376
  188   3HZ   LYS  26          3HZ       LYS  26   5.421   0.869   5.484
  189    CH2  TRP  27           CH2      TRP  27   4.408   3.357  -5.797
  190    H    TRP  27           H        TRP  27   6.728   0.744  -2.641
  191    HA   TRP  27           HA       TRP  27   6.886  -2.171  -2.596
  192   1HB   TRP  27          1HB       TRP  27   6.826  -2.356  -4.985
  193   2HB   TRP  27          2HB       TRP  27   5.304  -1.736  -4.321
  194    HD1  TRP  27           HD1      TRP  27   7.938  -0.897  -6.865
  195    HE1  TRP  27           HE1      TRP  27   7.432   1.368  -7.939
  196    HE3  TRP  27           HE3      TRP  27   4.313   0.639  -3.665
  197    HZ2  TRP  27           HZ2      TRP  27   5.713   3.579  -7.524
  198    HZ3  TRP  27           HZ3      TRP  27   3.271   2.865  -4.071
  199    HH2  TRP  27           HH2      TRP  27   3.917   4.316  -5.923
  200    CH2  TRP  28           CH2      TRP  28   9.139  -4.492   1.679
  201    H    TRP  28           H        TRP  28   8.885  -2.894  -3.568
  202    HA   TRP  28           HA       TRP  28  10.962  -1.038  -4.262
  203   1HB   TRP  28          1HB       TRP  28  12.409  -1.303  -2.494
  204   2HB   TRP  28          2HB       TRP  28  10.836  -0.898  -1.786
  205    HD1  TRP  28           HD1      TRP  28  13.276  -3.875  -2.089
  206    HE1  TRP  28           HE1      TRP  28  12.686  -5.593  -0.291
  207    HE3  TRP  28           HE3      TRP  28   9.016  -1.713  -0.370
  208    HZ2  TRP  28           HZ2      TRP  28  10.675  -6.033   1.651
  209    HZ3  TRP  28           HZ3      TRP  28   7.800  -2.856   1.478
  210    HH2  TRP  28           HH2      TRP  28   8.566  -4.942   2.483
  211    H    SER  29           H        SER  29  12.337  -2.065  -5.575
  212    HA   SER  29           HA       SER  29  11.954  -4.882  -6.119
  213   1HB   SER  29          1HB       SER  29  13.491  -4.460  -8.040
  214   2HB   SER  29          2HB       SER  29  12.038  -3.446  -8.060
  215    HG   SER  29           HG       SER  29  13.982  -2.221  -8.636
  216    H    ASP  30           H        ASP  30  13.386  -6.432  -5.765
  217    HA   ASP  30           HA       ASP  30  15.698  -5.792  -4.094
  218   1HB   ASP  30          1HB       ASP  30  15.637  -8.440  -3.959
  219   2HB   ASP  30          2HB       ASP  30  14.612  -7.430  -2.926
  220    H    HIS  31           H        HIS  31  17.253  -7.934  -4.486
  221    HA   HIS  31           HA       HIS  31  18.850  -7.388  -6.632
  222   1HB   HIS  31          1HB       HIS  31  18.720  -9.431  -4.655
  223   2HB   HIS  31          2HB       HIS  31  19.191 -10.099  -6.227
  224    HD2  HIS  31           HD2      HIS  31  21.896 -10.369  -5.718
  225    HE1  HIS  31           HE1      HIS  31  22.658  -6.301  -4.771
  226    NH1  ARG  32           NH2      ARG  32  19.229 -13.873  -9.697
  227    NH2  ARG  32           NH1      ARG  32  18.636 -16.108  -9.527
  228    H    ARG  32           H        ARG  32  16.620 -10.141  -6.426
  229    HA   ARG  32           HA       ARG  32  16.025  -9.862  -9.274
  230   1HB   ARG  32          1HB       ARG  32  17.642 -11.648  -9.204
  231   2HB   ARG  32          2HB       ARG  32  16.812 -12.415  -7.838
  232   1HG   ARG  32          1HG       ARG  32  15.293 -13.421  -9.176
  233   2HG   ARG  32          2HG       ARG  32  15.081 -11.972 -10.175
  234   1HD   ARG  32          1HD       ARG  32  16.074 -13.360 -11.727
  235   2HD   ARG  32          2HD       ARG  32  17.527 -12.642 -11.011
  236    HE   ARG  32           HE       ARG  32  16.517 -15.341 -10.504
  237   1HH1  ARG  32          1HH2      ARG  32  19.005 -12.984  -9.946
  238   2HH1  ARG  32          2HH2      ARG  32  20.083 -14.062  -9.326
  239   1HH2  ARG  32          1HH1      ARG  32  18.001 -16.803  -9.652
  240   2HH2  ARG  32          2HH1      ARG  32  19.488 -16.304  -9.155
  241    H    GLY  33           H        GLY  33  14.321  -8.815  -7.661
  242   1HA   GLY  33          1HA       GLY  33  11.920 -10.198  -8.050
  243   2HA   GLY  33          2HA       GLY  33  12.416 -10.355  -6.356
  244    H    THR  34           H        THR  34  10.207  -9.162  -6.415
  245    HA   THR  34           HA       THR  34  10.707  -6.403  -5.746
  246    HB   THR  34           HB       THR  34   8.937  -7.251  -8.082
  247    HG1  THR  34           HG1      THR  34  10.345  -5.615  -9.142
  248   1HG2  THR  34          3HG2      THR  34   7.813  -5.432  -6.631
  249   2HG2  THR  34          1HG2      THR  34   9.291  -4.471  -6.805
  250   3HG2  THR  34          2HG2      THR  34   8.300  -4.840  -8.227
  251    H    ILE  35           H        ILE  35   9.836  -6.067  -3.923
  252    HA   ILE  35           HA       ILE  35   7.563  -7.678  -3.042
  253    HB   ILE  35           HB       ILE  35   9.546  -6.107  -1.450
  254   1HG1  ILE  35          1HG1      ILE  35  10.342  -8.257  -2.427
  255   2HG1  ILE  35          2HG1      ILE  35  10.236  -8.299  -0.658
  256   1HG2  ILE  35          1HG2      ILE  35   7.141  -7.627  -0.507
  257   2HG2  ILE  35          2HG2      ILE  35   8.437  -6.979   0.512
  258   3HG2  ILE  35          3HG2      ILE  35   7.410  -5.878  -0.421
  259   1HD1  ILE  35          3HD1      ILE  35   8.057  -9.455  -0.818
  260   2HD1  ILE  35          1HD1      ILE  35   8.163  -9.413  -2.585
  261   3HD1  ILE  35          2HD1      ILE  35   9.325 -10.369  -1.650
  262    H    ILE  36           H        ILE  36   5.671  -6.743  -2.483
  263    HA   ILE  36           HA       ILE  36   5.389  -3.835  -2.690
  264    HB   ILE  36           HB       ILE  36   3.463  -5.897  -3.815
  265   1HG1  ILE  36          1HG1      ILE  36   4.390  -4.291  -5.873
  266   2HG1  ILE  36          2HG1      ILE  36   5.822  -4.793  -4.959
  267   1HG2  ILE  36          3HG2      ILE  36   2.344  -3.850  -2.997
  268   2HG2  ILE  36          1HG2      ILE  36   3.453  -2.859  -3.959
  269   3HG2  ILE  36          2HG2      ILE  36   2.300  -3.937  -4.766
  270   1HD1  ILE  36          3HD1      ILE  36   5.083  -7.146  -5.097
  271   2HD1  ILE  36          1HD1      ILE  36   3.651  -6.643  -6.010
  272   3HD1  ILE  36          2HD1      ILE  36   5.266  -6.439  -6.711
  273    H    GLU  37           H        GLU  37   3.838  -2.890  -1.453
  274    HA   GLU  37           HA       GLU  37   2.473  -4.469   0.557
  275   1HB   GLU  37          1HB       GLU  37   4.909  -3.757   1.265
  276   2HB   GLU  37          2HB       GLU  37   4.078  -2.243   1.661
  277   1HG   GLU  37          1HG       GLU  37   3.081  -4.951   2.583
  278   2HG   GLU  37          2HG       GLU  37   4.211  -3.969   3.533
  279    NH1  ARG  38           NH2      ARG  38   1.663  -1.316  -3.442
  280    NH2  ARG  38           NH1      ARG  38   0.780  -2.000  -5.473
  281    H    ARG  38           H        ARG  38   0.776  -3.374   1.511
  282    HA   ARG  38           HA       ARG  38   0.224  -0.620   0.769
  283   1HB   ARG  38          1HB       ARG  38  -1.559  -2.972   0.085
  284   2HB   ARG  38          2HB       ARG  38  -2.147  -1.302   0.159
  285   1HG   ARG  38          1HG       ARG  38  -1.604  -1.337  -2.059
  286   2HG   ARG  38          2HG       ARG  38   0.003  -0.937  -1.427
  287   1HD   ARG  38          1HD       ARG  38   0.766  -3.168  -1.646
  288   2HD   ARG  38          2HD       ARG  38  -0.880  -3.803  -1.818
  289    HE   ARG  38           HE       ARG  38  -0.722  -3.338  -4.063
  290   1HH1  ARG  38          1HH2      ARG  38   1.657  -1.356  -2.493
  291   2HH1  ARG  38          2HH2      ARG  38   2.292  -0.763  -3.890
  292   1HH2  ARG  38          1HH1      ARG  38   0.155  -2.519  -5.967
  293   2HH2  ARG  38          2HH1      ARG  38   1.405  -1.448  -5.928
  294    H    GLY  39           H        GLY  39  -1.582   0.259   1.959
  295   1HA   GLY  39          1HA       GLY  39  -2.919  -0.964   4.063
  296   2HA   GLY  39          2HA       GLY  39  -1.430  -0.252   4.707
  297    H    CYS  40           H        CYS  40  -3.420   0.836   5.822
  298    HA   CYS  40           HA       CYS  40  -4.565   3.059   4.365
  299   1HB   CYS  40          1HB       CYS  40  -4.890   2.582   7.287
  300   2HB   CYS  40          2HB       CYS  40  -5.926   3.482   6.165
  301    H    GLY  41           H        GLY  41  -4.399   5.218   5.455
  302   1HA   GLY  41          1HA       GLY  41  -3.258   6.963   6.454
  303   2HA   GLY  41          2HA       GLY  41  -2.060   5.787   7.021
  304    H    CYS  42           H        CYS  42  -0.499   7.381   6.347
  305    HA   CYS  42           HA       CYS  42   0.578   6.843   3.774
  306   1HB   CYS  42          1HB       CYS  42  -0.993   9.287   4.194
  307   2HB   CYS  42          2HB       CYS  42   0.648   9.581   3.591
  308    HA   PRO  43           HA       PRO  43   3.720   7.566   6.809
  309   1HB   PRO  43          1HB       PRO  43   5.537   5.808   5.654
  310   2HB   PRO  43          2HB       PRO  43   4.336   5.373   6.882
  311   1HG   PRO  43          1HG       PRO  43   4.361   4.772   3.999
  312   2HG   PRO  43          2HG       PRO  43   3.430   4.007   5.298
  313   1HD   PRO  43          2HD       PRO  43   2.488   5.894   3.366
  314   2HD   PRO  43          1HD       PRO  43   1.590   5.217   4.734
  315    H    LYS  44           H        LYS  44   6.226   7.887   6.351
  316    HA   LYS  44           HA       LYS  44   6.407  10.125   4.552
  317   1HB   LYS  44          1HB       LYS  44   8.509  10.591   5.516
  318   2HB   LYS  44          2HB       LYS  44   7.314  10.273   6.786
  319   1HG   LYS  44          1HG       LYS  44   8.174   7.934   6.946
  320   2HG   LYS  44          2HG       LYS  44   9.430   8.350   5.767
  321   1HD   LYS  44          1HD       LYS  44   9.248  10.219   8.038
  322   2HD   LYS  44          2HD       LYS  44   9.694   8.566   8.497
  323   1HE   LYS  44          1HE       LYS  44  11.104   9.556   6.110
  324   2HE   LYS  44          2HE       LYS  44  11.444  10.489   7.577
  325   1HZ   LYS  44          3HZ       LYS  44  12.060   8.374   8.610
  326   2HZ   LYS  44          1HZ       LYS  44  11.775   7.588   7.374
  327   3HZ   LYS  44          2HZ       LYS  44  12.908   8.556   7.398
  328    H    VAL  45           H        VAL  45   7.445  10.140   2.650
  329    HA   VAL  45           HA       VAL  45   8.173   7.641   1.419
  330    HB   VAL  45           HB       VAL  45   8.365   8.931  -0.628
  331   1HG1  VAL  45          3HG1      VAL  45   6.065   8.418   0.116
  332   2HG1  VAL  45          1HG1      VAL  45   6.019   9.939   1.024
  333   3HG1  VAL  45          2HG1      VAL  45   6.128   9.967  -0.744
  334   1HG2  VAL  45          1HG2      VAL  45   9.605  10.813   0.203
  335   2HG2  VAL  45          2HG2      VAL  45   8.176  11.350  -0.696
  336   3HG2  VAL  45          3HG2      VAL  45   8.181  11.401   1.075
  337    H    LYS  46           H        LYS  46  10.007   6.767   1.749
  338    HA   LYS  46           HA       LYS  46  12.351   8.378   2.401
  339   1HB   LYS  46          1HB       LYS  46  12.757   6.888   3.899
  340   2HB   LYS  46          2HB       LYS  46  11.378   5.915   3.359
  341   1HG   LYS  46          1HG       LYS  46  12.856   4.948   1.568
  342   2HG   LYS  46          2HG       LYS  46  14.221   5.805   2.304
  343   1HD   LYS  46          1HD       LYS  46  13.090   4.514   4.467
  344   2HD   LYS  46          2HD       LYS  46  12.862   3.341   3.158
  345   1HE   LYS  46          1HE       LYS  46  15.043   2.803   3.172
  346   2HE   LYS  46          2HE       LYS  46  15.519   4.505   3.046
  347   1HZ   LYS  46          1HZ       LYS  46  14.867   3.176   5.571
  348   2HZ   LYS  46          2HZ       LYS  46  16.253   3.534   5.151
  349   3HZ   LYS  46          3HZ       LYS  46  15.268   4.609   5.464
  350    HA   PRO  47           HA       PRO  47  14.039   7.720  -1.551
  351   1HB   PRO  47          1HB       PRO  47  16.741   7.990  -0.955
  352   2HB   PRO  47          2HB       PRO  47  15.610   9.333  -1.200
  353   1HG   PRO  47          1HG       PRO  47  16.800   8.324   1.299
  354   2HG   PRO  47          2HG       PRO  47  16.033   9.887   0.971
  355   1HD   PRO  47          2HD       PRO  47  14.911   7.663   2.374
  356   2HD   PRO  47          1HD       PRO  47  14.105   9.180   1.944
  357    H    GLY  48           H        GLY  48  14.731   6.071  -2.786
  358   1HA   GLY  48          1HA       GLY  48  15.961   4.134  -3.338
  359   2HA   GLY  48          2HA       GLY  48  16.158   3.825  -1.603
  360    H    VAL  49           H        VAL  49  13.164   4.586  -1.495
  361    HA   VAL  49           HA       VAL  49  12.082   1.991  -2.346
  362    HB   VAL  49           HB       VAL  49  11.518   3.433   0.225
  363   1HG1  VAL  49          1HG1      VAL  49  10.386   0.843  -0.898
  364   2HG1  VAL  49          2HG1      VAL  49  10.097   1.480   0.730
  365   3HG1  VAL  49          3HG1      VAL  49   9.489   2.356  -0.685
  366   1HG2  VAL  49          3HG2      VAL  49  12.934   0.839  -0.331
  367   2HG2  VAL  49          1HG2      VAL  49  13.662   2.349   0.243
  368   3HG2  VAL  49          2HG2      VAL  49  12.510   1.476   1.267
  369    H    ASN  50           H        ASN  50   9.984   2.031  -3.110
  370    HA   ASN  50           HA       ASN  50   9.040   4.600  -4.086
  371   1HB   ASN  50          1HB       ASN  50   8.047   1.805  -4.730
  372   2HB   ASN  50          2HB       ASN  50   7.563   3.306  -5.540
  373   1HD2  ASN  50          2HD2      ASN  50  10.778   1.241  -6.655
  374   2HD2  ASN  50          1HD2      ASN  50   9.654   0.722  -5.571
  375    H    LEU  51           H        LEU  51   7.254   5.522  -3.294
  376    HA   LEU  51           HA       LEU  51   5.295   4.007  -1.762
  377   1HB   LEU  51          1HB       LEU  51   6.707   4.563  -0.046
  378   2HB   LEU  51          2HB       LEU  51   6.909   6.225  -0.627
  379    HG   LEU  51           HG       LEU  51   4.594   6.728  -0.025
  380   1HD1  LEU  51          1HD1      LEU  51   4.542   3.890   1.067
  381   2HD1  LEU  51          2HD1      LEU  51   3.274   5.107   1.288
  382   3HD1  LEU  51          3HD1      LEU  51   3.623   4.476  -0.330
  383   1HD2  LEU  51          3HD2      LEU  51   6.207   5.591   2.229
  384   2HD2  LEU  51          1HD2      LEU  51   6.312   7.223   1.546
  385   3HD2  LEU  51          2HD2      LEU  51   4.836   6.704   2.379
  386    H    ASN  52           H        ASN  52   3.277   4.860  -1.918
  387    HA   ASN  52           HA       ASN  52   2.913   7.377  -3.369
  388   1HB   ASN  52          1HB       ASN  52   2.494   5.060  -4.638
  389   2HB   ASN  52          2HB       ASN  52   0.943   5.170  -3.791
  390   1HD2  ASN  52          2HD2      ASN  52   0.553   6.722  -7.057
  391   2HD2  ASN  52          1HD2      ASN  52   0.916   5.234  -6.454
  392    H    CYS  53           H        CYS  53   1.034   8.492  -2.795
  393    HA   CYS  53           HA       CYS  53  -0.398   7.549  -0.408
  394   1HB   CYS  53          1HB       CYS  53   0.754  10.218  -0.992
  395   2HB   CYS  53          2HB       CYS  53  -0.697  10.066   0.013
  396    H    CYS  54           H        CYS  54  -2.574   7.740  -0.485
  397    HA   CYS  54           HA       CYS  54  -3.991   9.348  -2.360
  398   1HB   CYS  54          1HB       CYS  54  -5.189   7.372  -3.383
  399   2HB   CYS  54          2HB       CYS  54  -3.533   7.659  -3.945
  400    NH1  ARG  55           NH2      ARG  55  -7.039  14.428   2.910
  401    NH2  ARG  55           NH1      ARG  55  -5.182  13.798   4.147
  402    H    ARG  55           H        ARG  55  -6.342   8.976  -2.121
  403    HA   ARG  55           HA       ARG  55  -7.037   8.006   0.558
  404   1HB   ARG  55          1HB       ARG  55  -7.935  10.586  -0.734
  405   2HB   ARG  55          2HB       ARG  55  -8.646   9.894   0.734
  406   1HG   ARG  55          1HG       ARG  55  -6.234   9.879   1.660
  407   2HG   ARG  55          2HG       ARG  55  -5.854  10.972   0.317
  408   1HD   ARG  55          1HD       ARG  55  -7.425  12.614   1.108
  409   2HD   ARG  55          2HD       ARG  55  -8.083  11.490   2.309
  410    HE   ARG  55           HE       ARG  55  -5.517  11.630   3.045
  411   1HH1  ARG  55          1HH2      ARG  55  -7.717  14.205   2.283
  412   2HH1  ARG  55          2HH2      ARG  55  -7.001  15.303   3.278
  413   1HH2  ARG  55          1HH1      ARG  55  -4.545  13.139   4.400
  414   2HH2  ARG  55          2HH1      ARG  55  -5.136  14.671   4.520
  415    H    THR  56           H        THR  56  -7.305   6.821  -2.113
  416    HA   THR  56           HA       THR  56 -10.218   6.730  -2.455
  417    HB   THR  56           HB       THR  56  -9.268   5.403  -4.616
  418    HG1  THR  56           HG1      THR  56  -7.157   6.404  -5.182
  419   1HG2  THR  56          3HG2      THR  56 -10.446   7.702  -4.685
  420   2HG2  THR  56          1HG2      THR  56  -8.881   8.443  -4.312
  421   3HG2  THR  56          2HG2      THR  56  -9.109   7.576  -5.840
  422    H    ASP  57           H        ASP  57 -11.315   4.850  -2.493
  423    HA   ASP  57           HA       ASP  57 -10.532   2.905  -0.608
  424   1HB   ASP  57          1HB       ASP  57 -12.898   3.579  -2.013
  425   2HB   ASP  57          2HB       ASP  57 -12.534   1.890  -2.411
  426    NH1  ARG  58           NH2      ARG  58  -9.058  -4.007  -6.855
  427    NH2  ARG  58           NH1      ARG  58 -10.580  -2.544  -7.813
  428    H    ARG  58           H        ARG  58  -9.441   1.083  -0.898
  429    HA   ARG  58           HA       ARG  58  -8.135  -0.541  -1.837
  430   1HB   ARG  58          1HB       ARG  58 -10.528  -1.118  -2.671
  431   2HB   ARG  58          2HB       ARG  58  -9.986  -0.445  -4.218
  432   1HG   ARG  58          1HG       ARG  58  -8.165  -2.051  -4.331
  433   2HG   ARG  58          2HG       ARG  58  -8.559  -2.662  -2.714
  434   1HD   ARG  58          1HD       ARG  58  -9.441  -4.176  -4.428
  435   2HD   ARG  58          2HD       ARG  58 -10.774  -3.401  -3.555
  436    HE   ARG  58           HE       ARG  58 -11.167  -2.052  -5.479
  437   1HH1  ARG  58          1HH2      ARG  58  -8.673  -4.392  -6.076
  438   2HH1  ARG  58          2HH2      ARG  58  -8.755  -4.271  -7.716
  439   1HH2  ARG  58          1HH1      ARG  58 -11.268  -1.895  -7.722
  440   2HH2  ARG  58          2HH1      ARG  58 -10.282  -2.802  -8.677
  441    H    CYS  59           H        CYS  59  -7.607   2.268  -2.417
  442    HA   CYS  59           HA       CYS  59  -6.744   2.566  -5.109
  443   1HB   CYS  59          1HB       CYS  59  -6.021   4.625  -4.602
  444   2HB   CYS  59          2HB       CYS  59  -7.294   4.391  -3.391
  445    H    ASN  60           H        ASN  60  -5.629   0.868  -2.433
  446    HA   ASN  60           HA       ASN  60  -2.817   0.917  -3.134
  447   1HB   ASN  60          1HB       ASN  60  -3.545  -1.155  -1.242
  448   2HB   ASN  60          2HB       ASN  60  -2.488   0.248  -1.012
  449   1HD2  ASN  60          2HD2      ASN  60  -4.655   1.536   1.267
  450   2HD2  ASN  60          1HD2      ASN  60  -3.138   1.045   0.859
  451    H    ASN  61           H        ASN  61  -2.956  -0.020  -5.197
  452    HA   ASN  61           HA       ASN  61  -3.202  -2.923  -5.189
  453   1HB   ASN  61          1HB       ASN  61  -4.511  -2.995  -7.181
  454   2HB   ASN  61          2HB       ASN  61  -5.338  -1.871  -6.088
  455   1HD2  ASN  61          2HD2      ASN  61  -4.696  -0.714  -9.694
  456   2HD2  ASN  61          1HD2      ASN  61  -4.998  -2.224  -9.115
   
  Start of MODEL          15
 Raw file had 456 H/Q atoms
  Start of MODEL   15
    1   1H    LEU   1          2H        LEU   1 -13.986   2.713   5.224
    2   2H    LEU   1          3H        LEU   1 -12.841   3.204   6.044
    3   3H    LEU   1          1H        LEU   1 -13.776   4.178   5.409
    4    HA   LEU   1           HA       LEU   1 -13.087   3.601   3.175
    5   1HB   LEU   1          1HB       LEU   1 -11.814   5.290   4.785
    6   2HB   LEU   1          2HB       LEU   1 -10.537   4.070   4.650
    7    HG   LEU   1           HG       LEU   1 -11.643   4.869   2.063
    8   1HD1  LEU   1          1HD1      LEU   1 -10.360   7.010   3.721
    9   2HD1  LEU   1          2HD1      LEU   1 -10.669   7.079   1.978
   10   3HD1  LEU   1          3HD1      LEU   1 -12.024   6.971   3.114
   11   1HD2  LEU   1          3HD2      LEU   1  -8.840   4.894   3.245
   12   2HD2  LEU   1          1HD2      LEU   1  -9.570   3.553   2.344
   13   3HD2  LEU   1          2HD2      LEU   1  -9.242   5.094   1.532
   14    H    GLU   2           H        GLU   2 -12.947   1.848   2.143
   15    HA   GLU   2           HA       GLU   2 -11.585  -0.463   3.247
   16   1HB   GLU   2          1HB       GLU   2 -13.912  -0.226   1.830
   17   2HB   GLU   2          2HB       GLU   2 -12.760  -0.814   0.619
   18   1HG   GLU   2          1HG       GLU   2 -12.126  -2.669   2.078
   19   2HG   GLU   2          2HG       GLU   2 -13.193  -2.059   3.354
   20    H    CYS   3           H        CYS   3  -9.549  -0.809   2.764
   21    HA   CYS   3           HA       CYS   3  -8.491  -0.016   0.152
   22   1HB   CYS   3          1HB       CYS   3  -7.063   0.183   2.812
   23   2HB   CYS   3          2HB       CYS   3  -6.324   0.461   1.225
   24    H    HIS   4           H        HIS   4  -6.425  -1.229  -0.282
   25    HA   HIS   4           HA       HIS   4  -7.000  -4.022  -0.140
   26   1HB   HIS   4          1HB       HIS   4  -4.800  -2.376  -1.370
   27   2HB   HIS   4          2HB       HIS   4  -4.666  -4.140  -1.266
   28    HD2  HIS   4           HD2      HIS   4  -6.000  -1.548  -3.662
   29    HE1  HIS   4           HE1      HIS   4  -8.071  -5.132  -4.608
   30    H    ASN   5           H        ASN   5  -5.558  -5.616   0.635
   31    HA   ASN   5           HA       ASN   5  -4.038  -4.782   3.003
   32   1HB   ASN   5          1HB       ASN   5  -4.800  -7.156   3.853
   33   2HB   ASN   5          2HB       ASN   5  -5.872  -5.757   4.048
   34   1HD2  ASN   5          2HD2      ASN   5  -8.347  -7.739   2.732
   35   2HD2  ASN   5          1HD2      ASN   5  -7.710  -6.998   4.056
   36    H    GLN   6           H        GLN   6  -4.597  -7.205   0.519
   37    HA   GLN   6           HA       GLN   6  -2.663  -9.056   0.913
   38   1HB   GLN   6          1HB       GLN   6  -2.377  -8.932  -1.701
   39   2HB   GLN   6          2HB       GLN   6  -3.908  -9.484  -0.998
   40   1HG   GLN   6          1HG       GLN   6  -5.021  -7.522  -1.537
   41   2HG   GLN   6          2HG       GLN   6  -3.532  -6.559  -1.555
   42   1HE2  GLN   6          2HE2      GLN   6  -4.896  -7.136  -4.970
   43   2HE2  GLN   6          1HE2      GLN   6  -5.545  -6.609  -3.553
   44    H    GLN   7           H        GLN   7  -0.540  -9.329   0.266
   45    HA   GLN   7           HA       GLN   7   1.014  -6.870  -0.092
   46   1HB   GLN   7          1HB       GLN   7   1.133  -7.499   2.242
   47   2HB   GLN   7          2HB       GLN   7   1.731  -9.104   1.786
   48   1HG   GLN   7          1HG       GLN   7   3.611  -7.875   0.548
   49   2HG   GLN   7          2HG       GLN   7   3.089  -6.426   1.425
   50   1HE2  GLN   7          2HE2      GLN   7   5.831  -8.225   3.176
   51   2HE2  GLN   7          1HE2      GLN   7   5.607  -7.700   1.634
   52    H    SER   8           H        SER   8   2.911  -7.107  -1.258
   53    HA   SER   8           HA       SER   8   4.367  -7.925  -2.828
   54   1HB   SER   8          1HB       SER   8   3.563 -10.361  -1.345
   55   2HB   SER   8          2HB       SER   8   4.326 -10.570  -2.931
   56    HG   SER   8           HG       SER   8   5.912 -10.614  -1.172
   57    H    SER   9           H        SER   9   2.470 -10.749  -3.256
   58    HA   SER   9           HA       SER   9   1.032  -9.614  -5.530
   59   1HB   SER   9          1HB       SER   9   3.264 -11.371  -5.731
   60   2HB   SER   9          2HB       SER   9   1.815 -12.297  -6.157
   61    HG   SER   9           HG       SER   9   2.811 -11.287  -8.052
   62    H    GLN  10           H        GLN  10   0.242 -10.342  -2.853
   63    HA   GLN  10           HA       GLN  10  -1.106 -12.788  -2.724
   64   1HB   GLN  10          1HB       GLN  10  -0.843 -10.493  -1.067
   65   2HB   GLN  10          2HB       GLN  10  -2.553 -10.940  -1.184
   66   1HG   GLN  10          1HG       GLN  10  -2.051 -12.443   0.434
   67   2HG   GLN  10          2HG       GLN  10  -1.364 -13.394  -0.896
   68   1HE2  GLN  10          2HE2      GLN  10   1.672 -13.524   0.604
   69   2HE2  GLN  10          1HE2      GLN  10   0.433 -14.256  -0.194
   70    HA   PRO  11           HA       PRO  11  -4.809 -12.113  -4.887
   71   1HB   PRO  11          1HB       PRO  11  -6.831 -12.823  -3.118
   72   2HB   PRO  11          2HB       PRO  11  -5.828 -13.963  -4.030
   73   1HG   PRO  11          1HG       PRO  11  -5.750 -13.283  -1.165
   74   2HG   PRO  11          2HG       PRO  11  -5.077 -14.691  -2.004
   75   1HD   PRO  11          2HD       PRO  11  -3.660 -12.399  -1.045
   76   2HD   PRO  11          1HD       PRO  11  -3.007 -13.752  -1.986
   77    HA   PRO  12           HA       PRO  12  -6.688  -8.258  -4.087
   78   1HB   PRO  12          1HB       PRO  12  -9.215  -8.566  -5.194
   79   2HB   PRO  12          2HB       PRO  12  -7.740  -8.271  -6.133
   80   1HG   PRO  12          1HG       PRO  12  -9.313 -10.746  -5.852
   81   2HG   PRO  12          2HG       PRO  12  -8.121 -10.306  -7.088
   82   1HD   PRO  12          2HD       PRO  12  -7.753 -12.074  -4.869
   83   2HD   PRO  12          1HD       PRO  12  -6.529 -11.542  -6.036
   84    H    THR  13           H        THR  13  -6.763  -8.184  -1.918
   85    HA   THR  13           HA       THR  13  -9.348  -8.798  -0.672
   86    HB   THR  13           HB       THR  13  -7.766  -9.078   1.436
   87    HG1  THR  13           HG1      THR  13  -5.692 -10.022   0.666
   88   1HG2  THR  13          3HG2      THR  13  -9.115 -10.968   0.304
   89   2HG2  THR  13          1HG2      THR  13  -7.774 -11.153  -0.839
   90   3HG2  THR  13          2HG2      THR  13  -7.528 -11.502   0.881
   91    H    THR  14           H        THR  14 -10.147  -7.286   0.719
   92    HA   THR  14           HA       THR  14  -8.671  -4.775   1.080
   93    HB   THR  14           HB       THR  14 -11.656  -4.739   0.663
   94    HG1  THR  14           HG1      THR  14 -11.229  -4.719  -1.704
   95   1HG2  THR  14          3HG2      THR  14 -10.244  -2.598   0.996
   96   2HG2  THR  14          1HG2      THR  14  -9.350  -3.040  -0.467
   97   3HG2  THR  14          2HG2      THR  14 -11.073  -2.644  -0.569
   98    H    LYS  15           H        LYS  15  -9.878  -3.391   2.716
   99    HA   LYS  15           HA       LYS  15 -11.244  -4.713   4.838
  100   1HB   LYS  15          1HB       LYS  15  -9.612  -4.747   6.510
  101   2HB   LYS  15          2HB       LYS  15  -9.009  -5.651   5.111
  102   1HG   LYS  15          1HG       LYS  15  -7.588  -3.819   4.453
  103   2HG   LYS  15          2HG       LYS  15  -8.313  -2.755   5.670
  104   1HD   LYS  15          1HD       LYS  15  -7.497  -4.631   7.341
  105   2HD   LYS  15          2HD       LYS  15  -6.374  -5.018   6.026
  106   1HE   LYS  15          1HE       LYS  15  -5.047  -3.402   6.867
  107   2HE   LYS  15          2HE       LYS  15  -6.223  -2.247   6.215
  108   1HZ   LYS  15          1HZ       LYS  15  -6.323  -3.312   8.939
  109   2HZ   LYS  15          2HZ       LYS  15  -5.894  -1.923   8.604
  110   3HZ   LYS  15          3HZ       LYS  15  -7.310  -2.340   8.390
  111    H    THR  16           H        THR  16 -12.052  -3.237   6.291
  112    HA   THR  16           HA       THR  16 -11.947  -0.451   5.489
  113    HB   THR  16           HB       THR  16 -13.841  -2.102   7.136
  114    HG1  THR  16           HG1      THR  16 -15.260  -1.228   5.403
  115   1HG2  THR  16          1HG2      THR  16 -13.911   0.928   6.592
  116   2HG2  THR  16          2HG2      THR  16 -15.164  -0.003   7.430
  117   3HG2  THR  16          3HG2      THR  16 -13.585   0.243   8.193
  118    H    CYS  17           H        CYS  17 -10.867   1.025   6.583
  119    HA   CYS  17           HA       CYS  17  -9.502   0.302   9.048
  120   1HB   CYS  17          1HB       CYS  17  -9.144   2.617   7.141
  121   2HB   CYS  17          2HB       CYS  17  -8.300   2.487   8.694
  122    H    SER  18           H        SER  18  -9.476   1.842  10.791
  123    HA   SER  18           HA       SER  18 -12.081   3.145  11.129
  124   1HB   SER  18          1HB       SER  18 -10.273   2.068  13.282
  125   2HB   SER  18          2HB       SER  18 -11.875   2.793  13.497
  126    HG   SER  18           HG       SER  18 -11.952   0.429  13.595
  127    H    GLY  19           H        GLY  19 -12.143   5.185  11.986
  128   1HA   GLY  19          1HA       GLY  19 -11.483   7.383  12.116
  129   2HA   GLY  19          2HA       GLY  19 -10.299   6.708  13.248
  130    H    GLU  20           H        GLU  20 -10.348   5.796   9.910
  131    HA   GLU  20           HA       GLU  20  -8.116   7.555   9.256
  132   1HB   GLU  20          1HB       GLU  20  -7.200   5.418  10.120
  133   2HB   GLU  20          2HB       GLU  20  -7.966   4.601   8.747
  134   1HG   GLU  20          1HG       GLU  20  -5.520   5.262   8.440
  135   2HG   GLU  20          2HG       GLU  20  -6.638   5.787   7.170
  136    H    THR  21           H        THR  21  -8.290   8.344   7.276
  137    HA   THR  21           HA       THR  21  -9.969   7.005   5.276
  138    HB   THR  21           HB       THR  21 -11.195   8.858   6.424
  139    HG1  THR  21           HG1      THR  21 -11.613  10.028   4.247
  140   1HG2  THR  21          3HG2      THR  21  -9.291  10.338   6.943
  141   2HG2  THR  21          1HG2      THR  21  -9.048  10.631   5.213
  142   3HG2  THR  21          2HG2      THR  21 -10.530  11.190   6.007
  143    H    ASN  22           H        ASN  22  -7.233   6.775   5.517
  144    HA   ASN  22           HA       ASN  22  -6.439   7.801   2.923
  145   1HB   ASN  22          1HB       ASN  22  -4.945   8.322   5.501
  146   2HB   ASN  22          2HB       ASN  22  -4.144   8.351   3.920
  147   1HD2  ASN  22          2HD2      ASN  22  -6.890  11.184   4.999
  148   2HD2  ASN  22          1HD2      ASN  22  -6.850   9.705   5.720
  149    H    CYS  23           H        CYS  23  -4.841   6.524   1.969
  150    HA   CYS  23           HA       CYS  23  -3.693   4.258   3.360
  151   1HB   CYS  23          1HB       CYS  23  -5.307   3.672   0.927
  152   2HB   CYS  23          2HB       CYS  23  -4.582   2.558   2.098
  153    OH   TYR  24           OH       TYR  24   2.813   2.191   5.585
  154    H    TYR  24           H        TYR  24  -1.915   3.449   2.251
  155    HA   TYR  24           HA       TYR  24  -1.101   4.724  -0.260
  156   1HB   TYR  24          1HB       TYR  24   0.999   5.351   0.696
  157   2HB   TYR  24          2HB       TYR  24  -0.244   5.900   1.833
  158    HD1  TYR  24           HD2      TYR  24  -0.753   4.366   3.841
  159    HD2  TYR  24           HD1      TYR  24   2.761   4.014   1.443
  160    HE1  TYR  24           HE2      TYR  24   0.401   3.092   5.707
  161    HE2  TYR  24           HE1      TYR  24   3.906   2.746   3.319
  162    HH   TYR  24           HH       TYR  24   2.135   2.093   6.427
  163    H    LYS  25           H        LYS  25   0.613   3.581  -1.311
  164    HA   LYS  25           HA       LYS  25   1.043   0.816  -0.442
  165   1HB   LYS  25          1HB       LYS  25   1.075   0.335  -3.002
  166   2HB   LYS  25          2HB       LYS  25  -0.489   0.490  -2.186
  167   1HG   LYS  25          1HG       LYS  25  -0.747   2.759  -2.968
  168   2HG   LYS  25          2HG       LYS  25   0.905   2.776  -3.611
  169   1HD   LYS  25          1HD       LYS  25   0.044   0.699  -5.002
  170   2HD   LYS  25          2HD       LYS  25  -1.545   1.412  -4.679
  171   1HE   LYS  25          1HE       LYS  25  -0.777   2.292  -6.782
  172   2HE   LYS  25          2HE       LYS  25  -0.649   3.594  -5.587
  173   1HZ   LYS  25          1HZ       LYS  25   1.612   1.957  -6.467
  174   2HZ   LYS  25          2HZ       LYS  25   1.398   3.374  -6.882
  175   3HZ   LYS  25          3HZ       LYS  25   1.721   3.053  -5.461
  176    H    LYS  26           H        LYS  26   2.980  -0.031  -0.711
  177    HA   LYS  26           HA       LYS  26   5.100   1.690  -1.779
  178   1HB   LYS  26          1HB       LYS  26   6.473   0.681   0.188
  179   2HB   LYS  26          2HB       LYS  26   5.521   2.167   0.343
  180   1HG   LYS  26          1HG       LYS  26   3.970   1.193   1.711
  181   2HG   LYS  26          2HG       LYS  26   4.094  -0.382   0.905
  182   1HD   LYS  26          1HD       LYS  26   5.008  -0.719   3.066
  183   2HD   LYS  26          2HD       LYS  26   6.409  -0.574   1.991
  184   1HE   LYS  26          1HE       LYS  26   6.364   1.940   2.613
  185   2HE   LYS  26          2HE       LYS  26   5.318   1.443   3.954
  186   1HZ   LYS  26          1HZ       LYS  26   8.019   0.404   3.521
  187   2HZ   LYS  26          2HZ       LYS  26   7.664   1.380   4.591
  188   3HZ   LYS  26          3HZ       LYS  26   7.138  -0.014   4.649
  189    CH2  TRP  27           CH2      TRP  27   4.219   3.200  -5.943
  190    H    TRP  27           H        TRP  27   6.722   0.604  -2.805
  191    HA   TRP  27           HA       TRP  27   6.902  -2.275  -2.772
  192   1HB   TRP  27          1HB       TRP  27   6.677  -2.507  -5.194
  193   2HB   TRP  27          2HB       TRP  27   5.181  -1.888  -4.474
  194    HD1  TRP  27           HD1      TRP  27   7.685  -1.071  -7.149
  195    HE1  TRP  27           HE1      TRP  27   7.127   1.183  -8.217
  196    HE3  TRP  27           HE3      TRP  27   4.229   0.504  -3.782
  197    HZ2  TRP  27           HZ2      TRP  27   5.435   3.402  -7.737
  198    HZ3  TRP  27           HZ3      TRP  27   3.171   2.727  -4.158
  199    HH2  TRP  27           HH2      TRP  27   3.724   4.159  -6.053
  200    CH2  TRP  28           CH2      TRP  28   8.936  -4.065   1.496
  201    H    TRP  28           H        TRP  28   8.806  -3.015  -3.840
  202    HA   TRP  28           HA       TRP  28  10.834  -1.159  -4.662
  203   1HB   TRP  28          1HB       TRP  28  12.387  -1.472  -2.941
  204   2HB   TRP  28          2HB       TRP  28  10.871  -0.881  -2.239
  205    HD1  TRP  28           HD1      TRP  28  13.059  -4.056  -2.338
  206    HE1  TRP  28           HE1      TRP  28  12.363  -5.583  -0.410
  207    HE3  TRP  28           HE3      TRP  28   8.999  -1.449  -0.759
  208    HZ2  TRP  28           HZ2      TRP  28  10.350  -5.719   1.575
  209    HZ3  TRP  28           HZ3      TRP  28   7.724  -2.350   1.181
  210    HH2  TRP  28           HH2      TRP  28   8.341  -4.408   2.335
  211    H    SER  29           H        SER  29  12.187  -2.208  -5.984
  212    HA   SER  29           HA       SER  29  11.776  -5.016  -6.507
  213   1HB   SER  29          1HB       SER  29  13.798  -3.281  -7.912
  214   2HB   SER  29          2HB       SER  29  12.930  -4.700  -8.524
  215    HG   SER  29           HG       SER  29  12.138  -2.690  -9.494
  216    H    ASP  30           H        ASP  30  13.151  -6.604  -6.112
  217    HA   ASP  30           HA       ASP  30  15.465  -6.018  -4.424
  218   1HB   ASP  30          1HB       ASP  30  15.231  -8.732  -4.408
  219   2HB   ASP  30          2HB       ASP  30  14.492  -7.652  -3.215
  220    H    HIS  31           H        HIS  31  16.960  -8.204  -4.773
  221    HA   HIS  31           HA       HIS  31  18.584  -7.738  -6.918
  222   1HB   HIS  31          1HB       HIS  31  18.386  -9.745  -4.905
  223   2HB   HIS  31          2HB       HIS  31  18.868 -10.441  -6.463
  224    HD2  HIS  31           HD2      HIS  31  20.157  -7.563  -4.049
  225    HE1  HIS  31           HE1      HIS  31  23.407  -9.016  -6.363
  226    NH1  ARG  32           NH2      ARG  32  16.762 -14.256 -13.790
  227    NH2  ARG  32           NH1      ARG  32  15.005 -15.764 -13.710
  228    H    ARG  32           H        ARG  32  16.329 -10.466  -6.675
  229    HA   ARG  32           HA       ARG  32  15.741 -10.221  -9.529
  230   1HB   ARG  32          1HB       ARG  32  17.337 -12.038  -9.373
  231   2HB   ARG  32          2HB       ARG  32  16.431 -12.774  -8.040
  232   1HG   ARG  32          1HG       ARG  32  14.929 -13.733  -9.436
  233   2HG   ARG  32          2HG       ARG  32  14.821 -12.290 -10.460
  234   1HD   ARG  32          1HD       ARG  32  16.791 -12.903 -11.680
  235   2HD   ARG  32          2HD       ARG  32  17.191 -14.180 -10.519
  236    HE   ARG  32           HE       ARG  32  14.878 -15.083 -11.355
  237   1HH1  ARG  32          1HH2      ARG  32  17.317 -13.623 -13.349
  238   2HH1  ARG  32          2HH2      ARG  32  16.898 -14.447 -14.710
  239   1HH2  ARG  32          1HH1      ARG  32  14.316 -16.202 -13.224
  240   2HH2  ARG  32          2HH1      ARG  32  15.134 -15.961 -14.631
  241    H    GLY  33           H        GLY  33  14.066  -9.116  -7.882
  242   1HA   GLY  33          1HA       GLY  33  11.626 -10.417  -8.295
  243   2HA   GLY  33          2HA       GLY  33  12.115 -10.624  -6.604
  244    H    THR  34           H        THR  34   9.996  -9.373  -6.500
  245    HA   THR  34           HA       THR  34  10.595  -6.604  -5.929
  246    HB   THR  34           HB       THR  34   8.448  -7.467  -7.901
  247    HG1  THR  34           HG1      THR  34   9.864  -5.947  -9.303
  248   1HG2  THR  34          1HG2      THR  34   9.138  -4.681  -6.904
  249   2HG2  THR  34          2HG2      THR  34   7.970  -5.068  -8.179
  250   3HG2  THR  34          3HG2      THR  34   7.665  -5.582  -6.513
  251    H    ILE  35           H        ILE  35   9.832  -6.097  -4.088
  252    HA   ILE  35           HA       ILE  35   7.788  -7.759  -2.839
  253    HB   ILE  35           HB       ILE  35   9.752  -5.863  -1.622
  254   1HG1  ILE  35          1HG1      ILE  35   9.455  -8.860  -1.306
  255   2HG1  ILE  35          2HG1      ILE  35  10.536  -8.126  -2.501
  256   1HG2  ILE  35          1HG2      ILE  35   7.591  -7.456  -0.292
  257   2HG2  ILE  35          2HG2      ILE  35   8.909  -6.595   0.520
  258   3HG2  ILE  35          3HG2      ILE  35   7.706  -5.693  -0.416
  259   1HD1  ILE  35          3HD1      ILE  35  11.729  -6.939  -0.693
  260   2HD1  ILE  35          1HD1      ILE  35  10.648  -7.673   0.503
  261   3HD1  ILE  35          2HD1      ILE  35  11.757  -8.690  -0.432
  262    H    ILE  36           H        ILE  36   5.869  -6.934  -2.213
  263    HA   ILE  36           HA       ILE  36   5.299  -4.100  -2.700
  264    HB   ILE  36           HB       ILE  36   3.314  -6.317  -3.247
  265   1HG1  ILE  36          1HG1      ILE  36   5.312  -6.697  -4.602
  266   2HG1  ILE  36          2HG1      ILE  36   3.836  -6.363  -5.525
  267   1HG2  ILE  36          3HG2      ILE  36   2.408  -4.040  -2.934
  268   2HG2  ILE  36          1HG2      ILE  36   3.505  -3.431  -4.185
  269   3HG2  ILE  36          2HG2      ILE  36   2.221  -4.575  -4.612
  270   1HD1  ILE  36          3HD1      ILE  36   4.557  -4.020  -5.830
  271   2HD1  ILE  36          1HD1      ILE  36   6.033  -4.354  -4.907
  272   3HD1  ILE  36          2HD1      ILE  36   5.765  -5.148  -6.468
  273    H    GLU  37           H        GLU  37   3.766  -3.150  -1.428
  274    HA   GLU  37           HA       GLU  37   2.695  -4.546   0.853
  275   1HB   GLU  37          1HB       GLU  37   5.214  -3.601   1.182
  276   2HB   GLU  37          2HB       GLU  37   4.235  -2.241   1.762
  277   1HG   GLU  37          1HG       GLU  37   3.857  -5.115   2.656
  278   2HG   GLU  37          2HG       GLU  37   4.815  -3.917   3.541
  279    NH1  ARG  38           NH2      ARG  38  -2.488  -4.480  -2.280
  280    NH2  ARG  38           NH1      ARG  38  -1.929  -4.399  -4.529
  281    H    ARG  38           H        ARG  38   1.046  -3.423   1.822
  282    HA   ARG  38           HA       ARG  38   0.422  -0.710   1.019
  283   1HB   ARG  38          1HB       ARG  38  -1.418  -3.066   0.497
  284   2HB   ARG  38          2HB       ARG  38  -1.930  -1.369   0.446
  285   1HG   ARG  38          1HG       ARG  38  -1.447  -1.703  -1.785
  286   2HG   ARG  38          2HG       ARG  38   0.138  -1.157  -1.210
  287   1HD   ARG  38          1HD       ARG  38   1.098  -3.173  -1.599
  288   2HD   ARG  38          2HD       ARG  38  -0.284  -4.059  -0.933
  289    HE   ARG  38           HE       ARG  38   0.141  -3.371  -3.700
  290   1HH1  ARG  38          1HH2      ARG  38  -2.262  -4.304  -1.374
  291   2HH1  ARG  38          2HH2      ARG  38  -3.322  -4.884  -2.491
  292   1HH2  ARG  38          1HH1      ARG  38  -1.316  -4.170  -5.217
  293   2HH2  ARG  38          2HH1      ARG  38  -2.760  -4.802  -4.748
  294    H    GLY  39           H        GLY  39  -1.252   0.226   2.292
  295   1HA   GLY  39          1HA       GLY  39  -2.545  -0.978   4.448
  296   2HA   GLY  39          2HA       GLY  39  -1.029  -0.264   5.025
  297    H    CYS  40           H        CYS  40  -3.102   0.789   6.149
  298    HA   CYS  40           HA       CYS  40  -4.216   3.029   4.708
  299   1HB   CYS  40          1HB       CYS  40  -4.751   1.729   7.271
  300   2HB   CYS  40          2HB       CYS  40  -4.988   3.484   7.216
  301    H    GLY  41           H        GLY  41  -4.057   5.185   5.838
  302   1HA   GLY  41          1HA       GLY  41  -2.904   6.876   6.946
  303   2HA   GLY  41          2HA       GLY  41  -1.623   5.705   7.307
  304    H    CYS  42           H        CYS  42  -0.358   7.650   6.611
  305    HA   CYS  42           HA       CYS  42   0.621   7.271   3.944
  306   1HB   CYS  42          1HB       CYS  42  -1.090   9.580   4.560
  307   2HB   CYS  42          2HB       CYS  42   0.385   9.871   3.621
  308    HA   PRO  43           HA       PRO  43   3.611   8.591   7.126
  309   1HB   PRO  43          1HB       PRO  43   5.424   6.541   6.648
  310   2HB   PRO  43          2HB       PRO  43   4.155   6.512   7.884
  311   1HG   PRO  43          1HG       PRO  43   4.294   5.075   5.318
  312   2HG   PRO  43          2HG       PRO  43   3.283   4.748   6.736
  313   1HD   PRO  43          2HD       PRO  43   2.487   5.980   4.281
  314   2HD   PRO  43          1HD       PRO  43   1.507   5.760   5.741
  315    H    LYS  44           H        LYS  44   6.086   8.858   6.765
  316    HA   LYS  44           HA       LYS  44   6.424  10.198   4.212
  317   1HB   LYS  44          1HB       LYS  44   6.994  11.242   6.505
  318   2HB   LYS  44          2HB       LYS  44   8.411  10.178   6.488
  319   1HG   LYS  44          1HG       LYS  44   8.233  11.459   3.938
  320   2HG   LYS  44          2HG       LYS  44   8.067  12.702   5.190
  321   1HD   LYS  44          1HD       LYS  44  10.257  12.593   5.658
  322   2HD   LYS  44          2HD       LYS  44  10.154  10.844   5.921
  323   1HE   LYS  44          1HE       LYS  44  11.306  10.514   4.026
  324   2HE   LYS  44          2HE       LYS  44   9.992  11.277   3.115
  325   1HZ   LYS  44          3HZ       LYS  44  11.132  13.389   3.510
  326   2HZ   LYS  44          1HZ       LYS  44  12.237  12.748   4.277
  327   3HZ   LYS  44          2HZ       LYS  44  12.087  12.475   2.820
  328    H    VAL  45           H        VAL  45   6.934   9.002   2.624
  329    HA   VAL  45           HA       VAL  45   8.558   6.642   2.896
  330    HB   VAL  45           HB       VAL  45   6.612   6.772   1.318
  331   1HG1  VAL  45          3HG1      VAL  45   6.793   9.074   0.652
  332   2HG1  VAL  45          1HG1      VAL  45   8.322   8.741  -0.179
  333   3HG1  VAL  45          2HG1      VAL  45   6.819   8.008  -0.762
  334   1HG2  VAL  45          3HG2      VAL  45   9.312   6.331  -0.009
  335   2HG2  VAL  45          1HG2      VAL  45   8.414   5.127   0.930
  336   3HG2  VAL  45          2HG2      VAL  45   7.756   5.725  -0.602
  337    H    LYS  46           H        LYS  46  10.614   6.624   2.950
  338    HA   LYS  46           HA       LYS  46  12.200   8.938   2.390
  339   1HB   LYS  46          1HB       LYS  46  12.571   6.454   3.800
  340   2HB   LYS  46          2HB       LYS  46  13.980   6.939   2.842
  341   1HG   LYS  46          1HG       LYS  46  13.442   9.320   3.890
  342   2HG   LYS  46          2HG       LYS  46  12.662   8.336   5.141
  343   1HD   LYS  46          1HD       LYS  46  14.749   8.315   6.046
  344   2HD   LYS  46          2HD       LYS  46  15.013   7.004   4.882
  345   1HE   LYS  46          1HE       LYS  46  16.553   8.214   3.786
  346   2HE   LYS  46          2HE       LYS  46  15.428   9.571   3.610
  347   1HZ   LYS  46          1HZ       LYS  46  17.086   9.123   5.980
  348   2HZ   LYS  46          2HZ       LYS  46  17.350  10.185   4.967
  349   3HZ   LYS  46          3HZ       LYS  46  16.138  10.265   5.832
  350    HA   PRO  47           HA       PRO  47  13.485   7.903  -1.656
  351   1HB   PRO  47          1HB       PRO  47  16.201   8.483  -1.608
  352   2HB   PRO  47          2HB       PRO  47  14.920   9.702  -1.737
  353   1HG   PRO  47          1HG       PRO  47  16.648   9.043   0.555
  354   2HG   PRO  47          2HG       PRO  47  15.686  10.501   0.257
  355   1HD   PRO  47          2HD       PRO  47  15.070   8.344   2.030
  356   2HD   PRO  47          1HD       PRO  47  14.053   9.744   1.643
  357    H    GLY  48           H        GLY  48  14.259   6.318  -2.916
  358   1HA   GLY  48          1HA       GLY  48  15.771   4.499  -3.390
  359   2HA   GLY  48          2HA       GLY  48  15.812   4.183  -1.647
  360    H    VAL  49           H        VAL  49  12.950   4.561  -1.355
  361    HA   VAL  49           HA       VAL  49  11.999   2.040  -2.521
  362    HB   VAL  49           HB       VAL  49  11.135   3.307   0.059
  363   1HG1  VAL  49          1HG1      VAL  49  10.405   0.675  -1.195
  364   2HG1  VAL  49          2HG1      VAL  49   9.971   1.210   0.436
  365   3HG1  VAL  49          3HG1      VAL  49   9.349   2.080  -0.975
  366   1HG2  VAL  49          3HG2      VAL  49  12.908   0.900  -0.491
  367   2HG2  VAL  49          1HG2      VAL  49  13.450   2.450   0.176
  368   3HG2  VAL  49          2HG2      VAL  49  12.342   1.424   1.103
  369    H    ASN  50           H        ASN  50   9.870   1.989  -3.271
  370    HA   ASN  50           HA       ASN  50   8.844   4.542  -4.214
  371   1HB   ASN  50          1HB       ASN  50   8.003   1.723  -4.962
  372   2HB   ASN  50          2HB       ASN  50   7.452   3.220  -5.732
  373   1HD2  ASN  50          2HD2      ASN  50  10.324   1.432  -7.452
  374   2HD2  ASN  50          1HD2      ASN  50   8.974   0.854  -6.709
  375    H    LEU  51           H        LEU  51   6.846   5.261  -3.644
  376    HA   LEU  51           HA       LEU  51   4.933   3.656  -2.214
  377   1HB   LEU  51          1HB       LEU  51   6.589   4.255  -0.516
  378   2HB   LEU  51          2HB       LEU  51   6.132   5.951  -0.749
  379    HG   LEU  51           HG       LEU  51   4.063   3.891  -0.040
  380   1HD1  LEU  51          1HD1      LEU  51   5.871   5.237   1.935
  381   2HD1  LEU  51          2HD1      LEU  51   4.402   4.322   2.314
  382   3HD1  LEU  51          3HD1      LEU  51   5.783   3.508   1.561
  383   1HD2  LEU  51          1HD2      LEU  51   3.315   6.142  -0.734
  384   2HD2  LEU  51          2HD2      LEU  51   2.966   5.853   0.978
  385   3HD2  LEU  51          3HD2      LEU  51   4.342   6.868   0.514
  386    H    ASN  52           H        ASN  52   2.914   4.604  -2.220
  387    HA   ASN  52           HA       ASN  52   2.603   7.221  -3.486
  388   1HB   ASN  52          1HB       ASN  52   2.274   5.341  -5.158
  389   2HB   ASN  52          2HB       ASN  52   0.884   4.825  -4.186
  390   1HD2  ASN  52          2HD2      ASN  52  -0.675   6.778  -6.686
  391   2HD2  ASN  52          1HD2      ASN  52  -0.037   5.287  -6.405
  392    H    CYS  53           H        CYS  53   0.998   8.400  -2.590
  393    HA   CYS  53           HA       CYS  53  -0.673   7.160  -0.522
  394   1HB   CYS  53          1HB       CYS  53   0.778   9.761  -0.615
  395   2HB   CYS  53          2HB       CYS  53  -0.805   9.726   0.179
  396    H    CYS  54           H        CYS  54  -2.799   7.526  -0.553
  397    HA   CYS  54           HA       CYS  54  -4.052   9.429  -2.275
  398   1HB   CYS  54          1HB       CYS  54  -5.413   7.530  -3.389
  399   2HB   CYS  54          2HB       CYS  54  -3.816   7.944  -4.037
  400    NH1  ARG  55           NH2      ARG  55  -5.829  13.538   3.395
  401    NH2  ARG  55           NH1      ARG  55  -7.712  13.127   4.685
  402    H    ARG  55           H        ARG  55  -6.399   9.313  -2.054
  403    HA   ARG  55           HA       ARG  55  -7.184   8.247   0.564
  404   1HB   ARG  55          1HB       ARG  55  -8.139  10.786  -0.800
  405   2HB   ARG  55          2HB       ARG  55  -8.758  10.148   0.733
  406   1HG   ARG  55          1HG       ARG  55  -6.591  10.428   1.785
  407   2HG   ARG  55          2HG       ARG  55  -5.860  10.904   0.242
  408   1HD   ARG  55          1HD       ARG  55  -6.241  13.007   1.054
  409   2HD   ARG  55          2HD       ARG  55  -7.853  12.727   0.375
  410    HE   ARG  55           HE       ARG  55  -8.609  12.200   2.596
  411   1HH1  ARG  55          1HH2      ARG  55  -5.386  13.489   2.556
  412   2HH1  ARG  55          2HH2      ARG  55  -5.386  13.920   4.144
  413   1HH2  ARG  55          1HH1      ARG  55  -8.597  12.792   4.766
  414   2HH2  ARG  55          2HH1      ARG  55  -7.277  13.507   5.438
  415    H    THR  56           H        THR  56  -7.400   7.177  -2.222
  416    HA   THR  56           HA       THR  56 -10.316   6.922  -2.451
  417    HB   THR  56           HB       THR  56  -9.408   5.845  -4.754
  418    HG1  THR  56           HG1      THR  56  -7.379   6.997  -5.333
  419   1HG2  THR  56          3HG2      THR  56 -10.696   8.077  -4.574
  420   2HG2  THR  56          1HG2      THR  56  -9.151   8.865  -4.214
  421   3HG2  THR  56          2HG2      THR  56  -9.415   8.115  -5.796
  422    H    ASP  57           H        ASP  57 -11.294   4.991  -2.543
  423    HA   ASP  57           HA       ASP  57 -10.328   2.974  -0.858
  424   1HB   ASP  57          1HB       ASP  57 -12.633   3.229  -2.745
  425   2HB   ASP  57          2HB       ASP  57 -12.189   1.615  -2.166
  426    NH1  ARG  58           NH2      ARG  58 -11.103  -1.339  -6.235
  427    NH2  ARG  58           NH1      ARG  58  -9.425  -2.160  -7.606
  428    H    ARG  58           H        ARG  58  -9.330   1.083  -1.303
  429    HA   ARG  58           HA       ARG  58  -7.877  -0.349  -2.351
  430   1HB   ARG  58          1HB       ARG  58 -10.331  -0.203  -3.966
  431   2HB   ARG  58          2HB       ARG  58  -8.903  -0.802  -4.828
  432   1HG   ARG  58          1HG       ARG  58  -8.531  -2.394  -2.896
  433   2HG   ARG  58          2HG       ARG  58 -10.115  -1.898  -2.275
  434   1HD   ARG  58          1HD       ARG  58 -10.064  -4.024  -3.706
  435   2HD   ARG  58          2HD       ARG  58 -11.250  -2.792  -4.168
  436    HE   ARG  58           HE       ARG  58  -8.838  -3.501  -5.635
  437   1HH1  ARG  58          1HH2      ARG  58 -11.541  -1.334  -5.391
  438   2HH1  ARG  58          2HH2      ARG  58 -11.414  -0.777  -6.934
  439   1HH2  ARG  58          1HH1      ARG  58  -8.678  -2.731  -7.742
  440   2HH2  ARG  58          2HH1      ARG  58  -9.730  -1.600  -8.311
  441    H    CYS  59           H        CYS  59  -7.470   2.544  -2.688
  442    HA   CYS  59           HA       CYS  59  -6.499   2.970  -5.364
  443   1HB   CYS  59          1HB       CYS  59  -6.003   5.128  -4.789
  444   2HB   CYS  59          2HB       CYS  59  -7.500   4.754  -3.917
  445    H    ASN  60           H        ASN  60  -5.356   1.837  -2.323
  446    HA   ASN  60           HA       ASN  60  -2.549   2.039  -3.067
  447   1HB   ASN  60          1HB       ASN  60  -2.108   1.148  -0.806
  448   2HB   ASN  60          2HB       ASN  60  -3.132   2.593  -0.739
  449   1HD2  ASN  60          2HD2      ASN  60  -4.504   0.147   1.572
  450   2HD2  ASN  60          1HD2      ASN  60  -3.110   1.002   1.390
  451    H    ASN  61           H        ASN  61  -2.678   0.528  -4.788
  452    HA   ASN  61           HA       ASN  61  -2.705  -2.267  -3.919
  453   1HB   ASN  61          1HB       ASN  61  -4.763  -1.977  -5.144
  454   2HB   ASN  61          2HB       ASN  61  -3.924  -1.119  -6.448
  455   1HD2  ASN  61          2HD2      ASN  61  -4.517  -4.952  -6.744
  456   2HD2  ASN  61          1HD2      ASN  61  -5.379  -3.859  -5.868
   
  Start of MODEL          16
 Raw file had 456 H/Q atoms
  Start of MODEL   16
    1   1H    LEU   1          1H        LEU   1 -14.113   3.269   5.755
    2   2H    LEU   1          2H        LEU   1 -14.793   4.273   4.887
    3   3H    LEU   1          3H        LEU   1 -14.940   2.817   4.600
    4    HA   LEU   1           HA       LEU   1 -13.427   3.749   2.970
    5   1HB   LEU   1          1HB       LEU   1 -12.843   5.449   4.838
    6   2HB   LEU   1          2HB       LEU   1 -11.499   4.324   5.104
    7    HG   LEU   1           HG       LEU   1 -11.943   5.145   2.301
    8   1HD1  LEU   1          3HD1      LEU   1 -12.504   7.218   3.325
    9   2HD1  LEU   1          1HD1      LEU   1 -11.029   7.171   4.306
   10   3HD1  LEU   1          2HD1      LEU   1 -10.916   7.316   2.544
   11   1HD2  LEU   1          1HD2      LEU   1 -10.033   3.740   2.999
   12   2HD2  LEU   1          2HD2      LEU   1  -9.480   5.296   2.354
   13   3HD2  LEU   1          3HD2      LEU   1  -9.499   5.018   4.104
   14    H    GLU   2           H        GLU   2 -13.201   1.709   2.257
   15    HA   GLU   2           HA       GLU   2 -11.628  -0.208   3.809
   16   1HB   GLU   2          1HB       GLU   2 -12.840  -1.907   2.886
   17   2HB   GLU   2          2HB       GLU   2 -14.049  -0.627   2.683
   18   1HG   GLU   2          1HG       GLU   2 -13.131  -0.201   0.394
   19   2HG   GLU   2          2HG       GLU   2 -12.056  -1.593   0.607
   20    H    CYS   3           H        CYS   3  -9.715  -0.793   3.221
   21    HA   CYS   3           HA       CYS   3  -8.681   0.077   0.609
   22   1HB   CYS   3          1HB       CYS   3  -7.182  -0.180   3.188
   23   2HB   CYS   3          2HB       CYS   3  -6.479   0.188   1.603
   24    H    HIS   4           H        HIS   4  -6.664  -1.336   0.109
   25    HA   HIS   4           HA       HIS   4  -7.536  -4.018  -0.209
   26   1HB   HIS   4          1HB       HIS   4  -5.201  -2.395  -1.051
   27   2HB   HIS   4          2HB       HIS   4  -4.920  -4.137  -0.887
   28    HD2  HIS   4           HD2      HIS   4  -6.245  -1.683  -3.463
   29    HE1  HIS   4           HE1      HIS   4  -7.665  -5.501  -4.660
   30    H    ASN   5           H        ASN   5  -6.078  -5.842   0.350
   31    HA   ASN   5           HA       ASN   5  -5.038  -5.574   3.080
   32   1HB   ASN   5          1HB       ASN   5  -7.325  -7.107   2.214
   33   2HB   ASN   5          2HB       ASN   5  -6.047  -8.205   2.761
   34   1HD2  ASN   5          2HD2      ASN   5  -8.070  -7.454   5.656
   35   2HD2  ASN   5          1HD2      ASN   5  -8.218  -8.228   4.212
   36    H    GLN   6           H        GLN   6  -5.205  -7.539   0.154
   37    HA   GLN   6           HA       GLN   6  -3.337  -9.450   0.478
   38   1HB   GLN   6          1HB       GLN   6  -2.686  -8.777  -2.014
   39   2HB   GLN   6          2HB       GLN   6  -4.157  -9.664  -1.579
   40   1HG   GLN   6          1HG       GLN   6  -5.527  -7.830  -1.912
   41   2HG   GLN   6          2HG       GLN   6  -4.235  -6.668  -1.565
   42   1HE2  GLN   6          2HE2      GLN   6  -4.306  -6.024  -4.949
   43   2HE2  GLN   6          1HE2      GLN   6  -4.739  -5.532  -3.440
   44    H    GLN   7           H        GLN   7  -1.107  -9.595   0.166
   45    HA   GLN   7           HA       GLN   7   0.412  -7.097   0.414
   46   1HB   GLN   7          1HB       GLN   7   0.227  -8.355   2.554
   47   2HB   GLN   7          2HB       GLN   7   1.159  -9.655   1.793
   48   1HG   GLN   7          1HG       GLN   7   2.314  -6.948   1.487
   49   2HG   GLN   7          2HG       GLN   7   2.262  -7.555   3.152
   50   1HE2  GLN   7          2HE2      GLN   7   5.122  -9.326   2.756
   51   2HE2  GLN   7          1HE2      GLN   7   4.156  -8.338   3.649
   52    H    SER   8           H        SER   8   2.337  -7.013  -0.668
   53    HA   SER   8           HA       SER   8   3.930  -7.436  -2.257
   54   1HB   SER   8          1HB       SER   8   3.303 -10.134  -1.199
   55   2HB   SER   8          2HB       SER   8   4.177 -10.025  -2.736
   56    HG   SER   8           HG       SER   8   5.650 -10.182  -0.889
   57    H    SER   9           H        SER   9   2.359 -10.332  -3.208
   58    HA   SER   9           HA       SER   9   0.950  -9.011  -5.400
   59   1HB   SER   9          1HB       SER   9   2.765 -11.425  -5.694
   60   2HB   SER   9          2HB       SER   9   1.759 -10.721  -6.973
   61    HG   SER   9           HG       SER   9   4.024 -10.058  -7.162
   62    H    GLN  10           H        GLN  10  -0.049 -10.039  -2.976
   63    HA   GLN  10           HA       GLN  10  -1.149 -12.621  -3.235
   64   1HB   GLN  10          1HB       GLN  10  -1.161 -10.583  -1.274
   65   2HB   GLN  10          2HB       GLN  10  -2.836 -11.062  -1.597
   66   1HG   GLN  10          1HG       GLN  10  -2.476 -12.844  -0.278
   67   2HG   GLN  10          2HG       GLN  10  -1.417 -13.472  -1.552
   68   1HE2  GLN  10          2HE2      GLN  10   0.740 -13.679   1.215
   69   2HE2  GLN  10          1HE2      GLN  10  -0.466 -14.466   0.418
   70    HA   PRO  11           HA       PRO  11  -4.763 -11.940  -5.547
   71   1HB   PRO  11          1HB       PRO  11  -6.853 -12.917  -3.996
   72   2HB   PRO  11          2HB       PRO  11  -5.730 -13.912  -4.938
   73   1HG   PRO  11          1HG       PRO  11  -5.875 -13.508  -2.024
   74   2HG   PRO  11          2HG       PRO  11  -5.071 -14.794  -2.940
   75   1HD   PRO  11          2HD       PRO  11  -3.851 -12.536  -1.676
   76   2HD   PRO  11          1HD       PRO  11  -3.063 -13.758  -2.691
   77    HA   PRO  12           HA       PRO  12  -6.951  -8.303  -4.531
   78   1HB   PRO  12          1HB       PRO  12  -9.430  -8.688  -5.721
   79   2HB   PRO  12          2HB       PRO  12  -7.959  -8.234  -6.599
   80   1HG   PRO  12          1HG       PRO  12  -9.373 -10.818  -6.533
   81   2HG   PRO  12          2HG       PRO  12  -8.187 -10.215  -7.704
   82   1HD   PRO  12          2HD       PRO  12  -7.750 -12.112  -5.609
   83   2HD   PRO  12          1HD       PRO  12  -6.540 -11.419  -6.703
   84    H    THR  13           H        THR  13  -7.334  -7.972  -2.501
   85    HA   THR  13           HA       THR  13  -9.856  -8.843  -1.339
   86    HB   THR  13           HB       THR  13  -8.557  -9.463   0.763
   87    HG1  THR  13           HG1      THR  13  -6.201 -10.075   0.168
   88   1HG2  THR  13          1HG2      THR  13  -8.001 -11.161  -1.693
   89   2HG2  THR  13          2HG2      THR  13  -7.909 -11.708  -0.010
   90   3HG2  THR  13          3HG2      THR  13  -9.467 -11.227  -0.702
   91    H    THR  14           H        THR  14 -10.795  -7.427  -0.108
   92    HA   THR  14           HA       THR  14  -9.330  -5.010   0.684
   93    HB   THR  14           HB       THR  14 -12.183  -4.708  -0.044
   94    HG1  THR  14           HG1      THR  14 -11.462  -4.691  -2.443
   95   1HG2  THR  14          1HG2      THR  14  -9.689  -3.184  -0.872
   96   2HG2  THR  14          2HG2      THR  14 -11.361  -2.686  -1.182
   97   3HG2  THR  14          3HG2      THR  14 -10.755  -2.766   0.480
   98    H    LYS  15           H        LYS  15 -10.411  -3.782   2.348
   99    HA   LYS  15           HA       LYS  15 -12.380  -4.856   4.032
  100   1HB   LYS  15          1HB       LYS  15 -10.016  -6.246   4.290
  101   2HB   LYS  15          2HB       LYS  15  -9.857  -5.007   5.547
  102   1HG   LYS  15          1HG       LYS  15 -11.223  -6.192   6.867
  103   2HG   LYS  15          2HG       LYS  15 -12.521  -5.999   5.676
  104   1HD   LYS  15          1HD       LYS  15 -11.731  -8.003   4.483
  105   2HD   LYS  15          2HD       LYS  15 -10.421  -8.193   5.662
  106   1HE   LYS  15          1HE       LYS  15 -12.514  -8.098   7.357
  107   2HE   LYS  15          2HE       LYS  15 -13.333  -8.765   5.935
  108   1HZ   LYS  15          1HZ       LYS  15 -10.960  -9.960   7.160
  109   2HZ   LYS  15          2HZ       LYS  15 -12.336 -10.522   7.287
  110   3HZ   LYS  15          3HZ       LYS  15 -11.650 -10.522   5.964
  111    H    THR  16           H        THR  16 -12.428  -3.710   6.133
  112    HA   THR  16           HA       THR  16 -12.381  -0.925   5.612
  113    HB   THR  16           HB       THR  16 -13.084  -2.551   8.056
  114    HG1  THR  16           HG1      THR  16 -15.256  -1.887   7.268
  115   1HG2  THR  16          1HG2      THR  16 -13.638   0.403   7.390
  116   2HG2  THR  16          2HG2      THR  16 -14.200  -0.457   8.834
  117   3HG2  THR  16          3HG2      THR  16 -12.476  -0.105   8.627
  118    H    CYS  17           H        CYS  17 -10.956   0.572   6.248
  119    HA   CYS  17           HA       CYS  17  -8.386  -0.291   7.252
  120   1HB   CYS  17          1HB       CYS  17  -9.297   1.832   5.571
  121   2HB   CYS  17          2HB       CYS  17  -8.493   2.538   6.984
  122    H    SER  18           H        SER  18  -7.382   1.272   8.877
  123    HA   SER  18           HA       SER  18  -8.915   1.089  11.275
  124   1HB   SER  18          1HB       SER  18  -6.297   2.567  10.954
  125   2HB   SER  18          2HB       SER  18  -6.968   1.832  12.419
  126    HG   SER  18           HG       SER  18  -5.189   0.553  11.521
  127    H    GLY  19           H        GLY  19  -8.071   3.400  12.585
  128   1HA   GLY  19          1HA       GLY  19 -10.175   5.169  11.942
  129   2HA   GLY  19          2HA       GLY  19  -8.913   5.451  13.154
  130    H    GLU  20           H        GLU  20  -9.036   5.114   9.625
  131    HA   GLU  20           HA       GLU  20  -7.874   7.753   9.281
  132   1HB   GLU  20          1HB       GLU  20  -6.223   5.536   9.270
  133   2HB   GLU  20          2HB       GLU  20  -6.494   5.907   7.558
  134   1HG   GLU  20          1HG       GLU  20  -6.007   8.266   9.269
  135   2HG   GLU  20          2HG       GLU  20  -4.637   7.149   9.144
  136    H    THR  21           H        THR  21  -8.091   8.530   7.140
  137    HA   THR  21           HA       THR  21 -10.104   7.139   5.521
  138    HB   THR  21           HB       THR  21 -11.040   9.040   6.625
  139    HG1  THR  21           HG1      THR  21 -11.566  10.270   4.505
  140   1HG2  THR  21          1HG2      THR  21  -8.894  10.692   5.251
  141   2HG2  THR  21          2HG2      THR  21 -10.263  11.332   6.175
  142   3HG2  THR  21          3HG2      THR  21  -9.007  10.387   6.993
  143    H    ASN  22           H        ASN  22  -7.170   6.993   5.395
  144    HA   ASN  22           HA       ASN  22  -6.868   7.502   2.566
  145   1HB   ASN  22          1HB       ASN  22  -4.873   8.585   4.582
  146   2HB   ASN  22          2HB       ASN  22  -4.728   8.656   2.818
  147   1HD2  ASN  22          2HD2      ASN  22  -7.382  11.013   4.854
  148   2HD2  ASN  22          1HD2      ASN  22  -6.819   9.604   5.490
  149    H    CYS  23           H        CYS  23  -5.003   6.374   1.722
  150    HA   CYS  23           HA       CYS  23  -3.625   4.484   3.424
  151   1HB   CYS  23          1HB       CYS  23  -5.388   3.646   1.117
  152   2HB   CYS  23          2HB       CYS  23  -4.158   2.606   1.856
  153    OH   TYR  24           OH       TYR  24   2.860   2.157   5.802
  154    H    TYR  24           H        TYR  24  -1.806   3.565   2.400
  155    HA   TYR  24           HA       TYR  24  -0.918   4.861  -0.063
  156   1HB   TYR  24          1HB       TYR  24   1.140   5.528   1.021
  157   2HB   TYR  24          2HB       TYR  24  -0.153   5.990   2.141
  158    HD1  TYR  24           HD2      TYR  24  -0.569   4.625   4.179
  159    HD2  TYR  24           HD1      TYR  24   2.780   3.910   1.630
  160    HE1  TYR  24           HE2      TYR  24   0.551   3.284   6.017
  161    HE2  TYR  24           HE1      TYR  24   3.889   2.567   3.477
  162    HH   TYR  24           HH       TYR  24   2.217   2.137   6.677
  163    H    LYS  25           H        LYS  25   0.940   3.804  -1.009
  164    HA   LYS  25           HA       LYS  25   1.090   0.940  -0.377
  165   1HB   LYS  25          1HB       LYS  25   1.751   1.720  -3.105
  166   2HB   LYS  25          2HB       LYS  25   0.843   0.338  -2.466
  167   1HG   LYS  25          1HG       LYS  25  -1.112   1.756  -2.094
  168   2HG   LYS  25          2HG       LYS  25  -0.206   3.182  -2.630
  169   1HD   LYS  25          1HD       LYS  25   0.159   1.586  -4.779
  170   2HD   LYS  25          2HD       LYS  25  -1.409   0.976  -4.223
  171   1HE   LYS  25          1HE       LYS  25  -2.108   2.692  -5.603
  172   2HE   LYS  25          2HE       LYS  25  -1.975   3.565  -4.066
  173   1HZ   LYS  25          1HZ       LYS  25   0.104   3.561  -6.126
  174   2HZ   LYS  25          2HZ       LYS  25  -0.790   4.721  -5.849
  175   3HZ   LYS  25          3HZ       LYS  25   0.216   4.296  -4.834
  176    H    LYS  26           H        LYS  26   3.143  -0.039  -0.748
  177    HA   LYS  26           HA       LYS  26   5.484   1.623  -1.112
  178   1HB   LYS  26          1HB       LYS  26   6.470   0.672   1.032
  179   2HB   LYS  26          2HB       LYS  26   5.394   2.079   1.090
  180   1HG   LYS  26          1HG       LYS  26   3.734   0.934   2.158
  181   2HG   LYS  26          2HG       LYS  26   4.081  -0.578   1.300
  182   1HD   LYS  26          1HD       LYS  26   4.645  -0.939   3.601
  183   2HD   LYS  26          2HD       LYS  26   6.171  -0.779   2.715
  184   1HE   LYS  26          1HE       LYS  26   5.876   1.782   3.367
  185   2HE   LYS  26          2HE       LYS  26   4.894   1.093   4.672
  186   1HZ   LYS  26          3HZ       LYS  26   6.858  -0.217   5.267
  187   2HZ   LYS  26          1HZ       LYS  26   7.684   0.362   4.169
  188   3HZ   LYS  26          2HZ       LYS  26   7.240   1.224   5.302
  189    CH2  TRP  27           CH2      TRP  27   4.449   2.809  -5.535
  190    H    TRP  27           H        TRP  27   6.904   0.509  -2.255
  191    HA   TRP  27           HA       TRP  27   7.174  -2.375  -2.013
  192   1HB   TRP  27          1HB       TRP  27   6.947  -2.812  -4.344
  193   2HB   TRP  27          2HB       TRP  27   5.449  -2.157  -3.658
  194    HD1  TRP  27           HD1      TRP  27   7.807  -1.606  -6.500
  195    HE1  TRP  27           HE1      TRP  27   7.205   0.537  -7.756
  196    HE3  TRP  27           HE3      TRP  27   4.559   0.340  -3.120
  197    HZ2  TRP  27           HZ2      TRP  27   5.562   2.815  -7.405
  198    HZ3  TRP  27           HZ3      TRP  27   3.500   2.529  -3.655
  199    HH2  TRP  27           HH2      TRP  27   3.957   3.759  -5.713
  200    CH2  TRP  28           CH2      TRP  28   9.908  -4.587   2.065
  201    H    TRP  28           H        TRP  28   9.125  -3.080  -3.148
  202    HA   TRP  28           HA       TRP  28  11.049  -1.145  -4.061
  203   1HB   TRP  28          1HB       TRP  28  12.645  -1.317  -2.415
  204   2HB   TRP  28          2HB       TRP  28  11.119  -0.977  -1.582
  205    HD1  TRP  28           HD1      TRP  28  13.651  -3.852  -2.076
  206    HE1  TRP  28           HE1      TRP  28  13.304  -5.568  -0.213
  207    HE3  TRP  28           HE3      TRP  28   9.479  -1.846   0.006
  208    HZ2  TRP  28           HZ2      TRP  28  11.498  -6.064   1.908
  209    HZ3  TRP  28           HZ3      TRP  28   8.488  -3.009   1.971
  210    HH2  TRP  28           HH2      TRP  28   9.431  -5.050   2.923
  211    H    SER  29           H        SER  29  12.475  -2.136  -5.378
  212    HA   SER  29           HA       SER  29  12.078  -4.923  -6.006
  213   1HB   SER  29          1HB       SER  29  14.115  -3.128  -7.315
  214   2HB   SER  29          2HB       SER  29  13.273  -4.534  -7.991
  215    HG   SER  29           HG       SER  29  12.478  -2.501  -8.905
  216    H    ASP  30           H        ASP  30  13.559  -6.508  -5.833
  217    HA   ASP  30           HA       ASP  30  15.871  -5.970  -4.105
  218   1HB   ASP  30          1HB       ASP  30  15.694  -8.183  -3.259
  219   2HB   ASP  30          2HB       ASP  30  14.066  -7.485  -3.196
  220    H    HIS  31           H        HIS  31  17.092  -8.427  -4.487
  221    HA   HIS  31           HA       HIS  31  18.780  -8.056  -6.613
  222   1HB   HIS  31          1HB       HIS  31  18.229 -10.253  -4.793
  223   2HB   HIS  31          2HB       HIS  31  18.940 -10.709  -6.351
  224    HD2  HIS  31           HD2      HIS  31  21.634 -10.790  -6.101
  225    HE1  HIS  31           HE1      HIS  31  22.113  -7.604  -3.336
  226    NH1  ARG  32           NH2      ARG  32  19.742 -14.853 -11.679
  227    NH2  ARG  32           NH1      ARG  32  21.560 -13.504 -11.181
  228    H    ARG  32           H        ARG  32  16.211 -10.498  -6.462
  229    HA   ARG  32           HA       ARG  32  15.581 -10.034  -9.270
  230   1HB   ARG  32          1HB       ARG  32  16.372 -12.675  -8.032
  231   2HB   ARG  32          2HB       ARG  32  15.367 -12.590  -9.489
  232   1HG   ARG  32          1HG       ARG  32  17.094 -11.444 -10.705
  233   2HG   ARG  32          2HG       ARG  32  18.061 -11.225  -9.237
  234   1HD   ARG  32          1HD       ARG  32  17.941 -13.870  -9.153
  235   2HD   ARG  32          2HD       ARG  32  17.630 -13.695 -10.888
  236    HE   ARG  32           HE       ARG  32  19.932 -12.271  -9.820
  237   1HH1  ARG  32          1HH2      ARG  32  18.820 -15.054 -11.573
  238   2HH1  ARG  32          2HH2      ARG  32  20.286 -15.400 -12.233
  239   1HH2  ARG  32          1HH1      ARG  32  21.931 -12.756 -10.729
  240   2HH2  ARG  32          2HH1      ARG  32  22.111 -14.046 -11.734
  241    H    GLY  33           H        GLY  33  14.042  -9.026  -7.414
  242   1HA   GLY  33          1HA       GLY  33  11.537 -10.277  -7.805
  243   2HA   GLY  33          2HA       GLY  33  12.097 -10.474  -6.134
  244    H    THR  34           H        THR  34   9.977  -9.192  -6.001
  245    HA   THR  34           HA       THR  34  10.625  -6.456  -5.379
  246    HB   THR  34           HB       THR  34   8.648  -7.218  -7.576
  247    HG1  THR  34           HG1      THR  34  10.061  -5.672  -8.756
  248   1HG2  THR  34          3HG2      THR  34   7.748  -5.331  -6.056
  249   2HG2  THR  34          1HG2      THR  34   9.262  -4.460  -6.353
  250   3HG2  THR  34          2HG2      THR  34   8.144  -4.774  -7.691
  251    H    ILE  35           H        ILE  35   9.774  -5.936  -3.580
  252    HA   ILE  35           HA       ILE  35   7.615  -7.558  -2.467
  253    HB   ILE  35           HB       ILE  35   9.660  -5.846  -1.124
  254   1HG1  ILE  35          1HG1      ILE  35   9.394  -8.547  -0.186
  255   2HG1  ILE  35          2HG1      ILE  35   9.580  -8.569  -1.948
  256   1HG2  ILE  35          1HG2      ILE  35   7.298  -7.223   0.100
  257   2HG2  ILE  35          2HG2      ILE  35   8.658  -6.501   0.975
  258   3HG2  ILE  35          3HG2      ILE  35   7.591  -5.480  -0.003
  259   1HD1  ILE  35          1HD1      ILE  35  11.419  -7.144   0.009
  260   2HD1  ILE  35          2HD1      ILE  35  11.775  -8.666  -0.825
  261   3HD1  ILE  35          3HD1      ILE  35  11.604  -7.167  -1.753
  262    H    ILE  36           H        ILE  36   5.700  -6.673  -1.965
  263    HA   ILE  36           HA       ILE  36   5.309  -3.786  -2.182
  264    HB   ILE  36           HB       ILE  36   3.372  -5.791  -3.367
  265   1HG1  ILE  36          1HG1      ILE  36   5.303  -4.080  -4.946
  266   2HG1  ILE  36          2HG1      ILE  36   5.664  -5.759  -4.512
  267   1HG2  ILE  36          1HG2      ILE  36   3.553  -2.813  -3.628
  268   2HG2  ILE  36          2HG2      ILE  36   2.412  -3.872  -4.474
  269   3HG2  ILE  36          3HG2      ILE  36   2.357  -3.742  -2.708
  270   1HD1  ILE  36          1HD1      ILE  36   3.253  -4.823  -6.109
  271   2HD1  ILE  36          2HD1      ILE  36   4.687  -5.621  -6.774
  272   3HD1  ILE  36          3HD1      ILE  36   3.615  -6.501  -5.674
  273    H    GLU  37           H        GLU  37   3.740  -2.917  -0.951
  274    HA   GLU  37           HA       GLU  37   2.170  -4.528   0.839
  275   1HB   GLU  37          1HB       GLU  37   4.086  -4.698   2.130
  276   2HB   GLU  37          2HB       GLU  37   4.547  -3.010   1.843
  277   1HG   GLU  37          1HG       GLU  37   3.655  -3.174   4.080
  278   2HG   GLU  37          2HG       GLU  37   2.476  -2.309   3.079
  279    NH1  ARG  38           NH2      ARG  38  -2.580  -4.376  -1.714
  280    NH2  ARG  38           NH1      ARG  38  -2.235  -4.313  -4.006
  281    H    ARG  38           H        ARG  38   0.569  -3.340   1.856
  282    HA   ARG  38           HA       ARG  38   0.352  -0.495   1.211
  283   1HB   ARG  38          1HB       ARG  38  -1.769  -2.628   0.833
  284   2HB   ARG  38          2HB       ARG  38  -2.127  -0.892   0.871
  285   1HG   ARG  38          1HG       ARG  38  -1.910  -1.427  -1.428
  286   2HG   ARG  38          2HG       ARG  38  -0.378  -0.653  -0.989
  287   1HD   ARG  38          1HD       ARG  38   0.813  -2.532  -1.401
  288   2HD   ARG  38          2HD       ARG  38  -0.373  -3.566  -0.585
  289    HE   ARG  38           HE       ARG  38  -0.282  -2.953  -3.403
  290   1HH1  ARG  38          1HH2      ARG  38  -2.307  -4.126  -0.839
  291   2HH1  ARG  38          2HH2      ARG  38  -3.358  -4.908  -1.836
  292   1HH2  ARG  38          1HH1      ARG  38  -1.725  -4.025  -4.754
  293   2HH2  ARG  38          2HH1      ARG  38  -3.011  -4.845  -4.135
  294    H    GLY  39           H        GLY  39  -1.366   0.550   2.511
  295   1HA   GLY  39          1HA       GLY  39  -2.403  -0.540   4.871
  296   2HA   GLY  39          2HA       GLY  39  -0.887   0.305   5.230
  297    H    CYS  40           H        CYS  40  -2.796   1.401   6.493
  298    HA   CYS  40           HA       CYS  40  -4.193   3.438   4.968
  299   1HB   CYS  40          1HB       CYS  40  -4.301   3.236   7.928
  300   2HB   CYS  40          2HB       CYS  40  -5.490   3.874   6.779
  301    H    GLY  41           H        GLY  41  -4.115   5.651   6.155
  302   1HA   GLY  41          1HA       GLY  41  -2.979   7.505   6.900
  303   2HA   GLY  41          2HA       GLY  41  -1.672   6.421   7.407
  304    H    CYS  42           H        CYS  42  -0.364   8.203   6.522
  305    HA   CYS  42           HA       CYS  42   0.525   7.585   3.868
  306   1HB   CYS  42          1HB       CYS  42  -1.213   9.215   3.351
  307   2HB   CYS  42          2HB       CYS  42  -0.516  10.351   4.520
  308    HA   PRO  43           HA       PRO  43   3.895   8.545   6.652
  309   1HB   PRO  43          1HB       PRO  43   5.568   6.587   5.612
  310   2HB   PRO  43          2HB       PRO  43   4.453   6.334   6.966
  311   1HG   PRO  43          1HG       PRO  43   4.259   5.388   4.184
  312   2HG   PRO  43          2HG       PRO  43   3.413   4.808   5.629
  313   1HD   PRO  43          2HD       PRO  43   2.363   6.466   3.549
  314   2HD   PRO  43          1HD       PRO  43   1.555   5.982   5.050
  315    H    LYS  44           H        LYS  44   6.328   8.746   6.012
  316    HA   LYS  44           HA       LYS  44   6.406  10.711   3.908
  317   1HB   LYS  44          1HB       LYS  44   8.549  11.306   4.692
  318   2HB   LYS  44          2HB       LYS  44   7.421  11.178   6.052
  319   1HG   LYS  44          1HG       LYS  44   8.346   8.705   6.175
  320   2HG   LYS  44          2HG       LYS  44   9.725   9.403   5.310
  321   1HD   LYS  44          1HD       LYS  44   9.451  11.265   7.231
  322   2HD   LYS  44          2HD       LYS  44   8.788   9.869   8.099
  323   1HE   LYS  44          1HE       LYS  44  10.802   8.741   8.105
  324   2HE   LYS  44          2HE       LYS  44  11.362   9.513   6.612
  325   1HZ   LYS  44          3HZ       LYS  44  11.714  11.517   7.945
  326   2HZ   LYS  44          1HZ       LYS  44  11.243  10.868   9.203
  327   3HZ   LYS  44          2HZ       LYS  44  12.508  10.414   8.557
  328    H    VAL  45           H        VAL  45   7.256  10.404   1.955
  329    HA   VAL  45           HA       VAL  45   7.936   7.767   1.057
  330    HB   VAL  45           HB       VAL  45   8.007   8.703  -1.141
  331   1HG1  VAL  45          3HG1      VAL  45   5.874   8.058  -0.248
  332   2HG1  VAL  45          1HG1      VAL  45   5.650   9.667   0.457
  333   3HG1  VAL  45          2HG1      VAL  45   5.709   9.471  -1.304
  334   1HG2  VAL  45          3HG2      VAL  45   7.600  11.388   0.227
  335   2HG2  VAL  45          1HG2      VAL  45   9.066  10.875  -0.624
  336   3HG2  VAL  45          2HG2      VAL  45   7.554  11.100  -1.521
  337    H    LYS  46           H        LYS  46   9.897   7.014   1.423
  338    HA   LYS  46           HA       LYS  46  12.195   8.747   1.752
  339   1HB   LYS  46          1HB       LYS  46  11.641   5.917   2.403
  340   2HB   LYS  46          2HB       LYS  46  13.312   6.474   2.210
  341   1HG   LYS  46          1HG       LYS  46  12.449   8.458   3.763
  342   2HG   LYS  46          2HG       LYS  46  11.269   7.233   4.261
  343   1HD   LYS  46          1HD       LYS  46  12.804   6.273   5.579
  344   2HD   LYS  46          2HD       LYS  46  13.858   6.010   4.179
  345   1HE   LYS  46          1HE       LYS  46  15.296   7.466   5.110
  346   2HE   LYS  46          2HE       LYS  46  14.116   8.741   4.759
  347   1HZ   LYS  46          1HZ       LYS  46  14.196   7.236   7.268
  348   2HZ   LYS  46          2HZ       LYS  46  14.646   8.652   7.131
  349   3HZ   LYS  46          3HZ       LYS  46  13.203   8.309   6.973
  350    HA   PRO  47           HA       PRO  47  13.628   8.098  -2.301
  351   1HB   PRO  47          1HB       PRO  47  16.345   8.535  -1.908
  352   2HB   PRO  47          2HB       PRO  47  15.124   9.806  -2.095
  353   1HG   PRO  47          1HG       PRO  47  16.546   8.922   0.329
  354   2HG   PRO  47          2HG       PRO  47  15.668  10.432   0.030
  355   1HD   PRO  47          2HD       PRO  47  14.780   8.178   1.551
  356   2HD   PRO  47          1HD       PRO  47  13.858   9.638   1.153
  357    H    GLY  48           H        GLY  48  14.362   6.480  -3.563
  358   1HA   GLY  48          1HA       GLY  48  15.612   4.591  -4.179
  359   2HA   GLY  48          2HA       GLY  48  16.015   4.358  -2.469
  360    H    VAL  49           H        VAL  49  13.276   4.677  -1.597
  361    HA   VAL  49           HA       VAL  49  12.252   2.032  -2.308
  362    HB   VAL  49           HB       VAL  49  11.630   3.708   0.104
  363   1HG1  VAL  49          3HG1      VAL  49   9.775   2.308  -0.496
  364   2HG1  VAL  49          1HG1      VAL  49  10.838   0.894  -0.598
  365   3HG1  VAL  49          2HG1      VAL  49  10.576   1.696   0.960
  366   1HG2  VAL  49          1HG2      VAL  49  13.967   2.902   0.092
  367   2HG2  VAL  49          2HG2      VAL  49  13.001   2.039   1.300
  368   3HG2  VAL  49          3HG2      VAL  49  13.398   1.258  -0.240
  369    H    ASN  50           H        ASN  50  10.202   1.797  -3.057
  370    HA   ASN  50           HA       ASN  50   8.940   4.095  -4.253
  371   1HB   ASN  50          1HB       ASN  50   7.787   1.313  -4.291
  372   2HB   ASN  50          2HB       ASN  50   7.650   2.596  -5.505
  373   1HD2  ASN  50          2HD2      ASN  50  10.050   1.144  -7.416
  374   2HD2  ASN  50          1HD2      ASN  50   8.552   1.805  -7.259
  375    H    LEU  51           H        LEU  51   7.139   5.031  -3.495
  376    HA   LEU  51           HA       LEU  51   5.329   3.744  -1.661
  377   1HB   LEU  51          1HB       LEU  51   7.315   4.623  -0.356
  378   2HB   LEU  51          2HB       LEU  51   6.581   6.213  -0.625
  379    HG   LEU  51           HG       LEU  51   4.972   3.972   0.560
  380   1HD1  LEU  51          3HD1      LEU  51   6.960   3.965   1.873
  381   2HD1  LEU  51          1HD1      LEU  51   6.851   5.718   2.107
  382   3HD1  LEU  51          2HD1      LEU  51   5.608   4.655   2.788
  383   1HD2  LEU  51          3HD2      LEU  51   4.901   6.996   0.855
  384   2HD2  LEU  51          1HD2      LEU  51   3.807   6.031  -0.150
  385   3HD2  LEU  51          2HD2      LEU  51   3.776   5.856   1.613
  386    H    ASN  52           H        ASN  52   3.346   4.516  -1.984
  387    HA   ASN  52           HA       ASN  52   2.984   7.086  -3.344
  388   1HB   ASN  52          1HB       ASN  52   2.598   4.818  -4.691
  389   2HB   ASN  52          2HB       ASN  52   1.043   4.865  -3.844
  390   1HD2  ASN  52          2HD2      ASN  52   0.781   6.550  -7.107
  391   2HD2  ASN  52          1HD2      ASN  52   1.251   5.063  -6.583
  392    H    CYS  53           H        CYS  53   1.187   8.229  -2.678
  393    HA   CYS  53           HA       CYS  53  -0.342   7.175  -0.400
  394   1HB   CYS  53          1HB       CYS  53   0.972   9.802  -0.746
  395   2HB   CYS  53          2HB       CYS  53  -0.546   9.692   0.162
  396    H    CYS  54           H        CYS  54  -2.512   7.545  -0.466
  397    HA   CYS  54           HA       CYS  54  -3.754   9.274  -2.387
  398   1HB   CYS  54          1HB       CYS  54  -5.180   7.352  -3.268
  399   2HB   CYS  54          2HB       CYS  54  -3.532   7.499  -3.903
  400    NH1  ARG  55           NH2      ARG  55  -4.002  14.049   0.236
  401    NH2  ARG  55           NH1      ARG  55  -3.232  13.756   2.403
  402    H    ARG  55           H        ARG  55  -6.101   9.253  -2.106
  403    HA   ARG  55           HA       ARG  55  -6.872   8.540   0.634
  404   1HB   ARG  55          1HB       ARG  55  -8.038  10.908  -0.790
  405   2HB   ARG  55          2HB       ARG  55  -7.986  10.551   0.945
  406   1HG   ARG  55          1HG       ARG  55  -5.412  10.725   0.687
  407   2HG   ARG  55          2HG       ARG  55  -5.766  11.531  -0.850
  408   1HD   ARG  55          1HD       ARG  55  -6.475  13.431   0.171
  409   2HD   ARG  55          2HD       ARG  55  -7.326  12.542   1.446
  410    HE   ARG  55           HE       ARG  55  -5.362  12.573   2.713
  411   1HH1  ARG  55          1HH2      ARG  55  -4.678  13.911  -0.418
  412   2HH1  ARG  55          2HH2      ARG  55  -3.212  14.524   0.008
  413   1HH2  ARG  55          1HH1      ARG  55  -3.354  13.416   3.282
  414   2HH2  ARG  55          2HH1      ARG  55  -2.439  14.231   2.184
  415    H    THR  56           H        THR  56  -7.246   7.255  -2.062
  416    HA   THR  56           HA       THR  56 -10.180   7.198  -2.188
  417    HB   THR  56           HB       THR  56  -9.571   6.018  -4.445
  418    HG1  THR  56           HG1      THR  56  -7.366   6.954  -5.180
  419   1HG2  THR  56          1HG2      THR  56  -8.980   8.976  -4.093
  420   2HG2  THR  56          2HG2      THR  56  -9.352   8.167  -5.624
  421   3HG2  THR  56          3HG2      THR  56 -10.582   8.265  -4.354
  422    H    ASP  57           H        ASP  57 -11.283   5.353  -2.087
  423    HA   ASP  57           HA       ASP  57 -10.363   3.354  -0.364
  424   1HB   ASP  57          1HB       ASP  57 -12.793   3.915  -1.867
  425   2HB   ASP  57          2HB       ASP  57 -12.409   2.185  -1.854
  426    NH1  ARG  58           NH2      ARG  58 -12.542  -3.928  -5.182
  427    NH2  ARG  58           NH1      ARG  58 -12.267  -2.547  -7.024
  428    H    ARG  58           H        ARG  58  -9.506   1.386  -0.755
  429    HA   ARG  58           HA       ARG  58  -8.171  -0.159  -1.802
  430   1HB   ARG  58          1HB       ARG  58 -10.618  -0.688  -2.522
  431   2HB   ARG  58          2HB       ARG  58 -10.134  -0.005  -4.084
  432   1HG   ARG  58          1HG       ARG  58  -8.416  -1.651  -4.367
  433   2HG   ARG  58          2HG       ARG  58  -8.589  -2.211  -2.695
  434   1HD   ARG  58          1HD       ARG  58  -9.694  -3.819  -4.101
  435   2HD   ARG  58          2HD       ARG  58 -10.958  -2.893  -3.272
  436    HE   ARG  58           HE       ARG  58 -10.274  -1.779  -5.815
  437   1HH1  ARG  58          1HH2      ARG  58 -12.238  -4.231  -4.335
  438   2HH1  ARG  58          2HH2      ARG  58 -13.331  -4.296  -5.562
  439   1HH2  ARG  58          1HH1      ARG  58 -11.777  -1.876  -7.485
  440   2HH2  ARG  58          2HH1      ARG  58 -13.056  -2.908  -7.410
  441    H    CYS  59           H        CYS  59  -7.581   2.616  -2.303
  442    HA   CYS  59           HA       CYS  59  -6.816   2.882  -5.065
  443   1HB   CYS  59          1HB       CYS  59  -6.024   4.997  -4.583
  444   2HB   CYS  59          2HB       CYS  59  -7.532   4.799  -3.673
  445    H    ASN  60           H        ASN  60  -5.527   1.690  -2.119
  446    HA   ASN  60           HA       ASN  60  -2.776   1.665  -3.067
  447   1HB   ASN  60          1HB       ASN  60  -2.264   0.688  -0.843
  448   2HB   ASN  60          2HB       ASN  60  -3.116   2.236  -0.707
  449   1HD2  ASN  60          2HD2      ASN  60  -4.632   0.038   1.716
  450   2HD2  ASN  60          1HD2      ASN  60  -3.191   0.787   1.448
  451    H    ASN  61           H        ASN  61  -3.031   0.179  -4.755
  452    HA   ASN  61           HA       ASN  61  -3.253  -2.610  -3.911
  453   1HB   ASN  61          1HB       ASN  61  -4.613  -3.218  -5.739
  454   2HB   ASN  61          2HB       ASN  61  -5.353  -1.728  -5.127
  455   1HD2  ASN  61          2HD2      ASN  61  -4.620  -1.953  -8.892
  456   2HD2  ASN  61          1HD2      ASN  61  -5.031  -3.141  -7.832
   
  Start of MODEL          17
 Raw file had 456 H/Q atoms
  Start of MODEL   17
    1   1H    LEU   1          2H        LEU   1 -13.525   2.984   5.618
    2   2H    LEU   1          3H        LEU   1 -12.224   3.444   6.186
    3   3H    LEU   1          1H        LEU   1 -13.203   4.440   5.661
    4    HA   LEU   1           HA       LEU   1 -12.963   3.688   3.387
    5   1HB   LEU   1          1HB       LEU   1 -11.311   5.363   4.650
    6   2HB   LEU   1          2HB       LEU   1 -10.160   4.057   4.316
    7    HG   LEU   1           HG       LEU   1 -11.633   4.700   1.929
    8   1HD1  LEU   1          1HD1      LEU   1 -10.149   7.006   3.240
    9   2HD1  LEU   1          2HD1      LEU   1 -10.761   6.981   1.578
   10   3HD1  LEU   1          3HD1      LEU   1 -11.893   6.938   2.939
   11   1HD2  LEU   1          1HD2      LEU   1  -9.590   3.477   1.936
   12   2HD2  LEU   1          2HD2      LEU   1  -9.420   4.969   0.995
   13   3HD2  LEU   1          3HD2      LEU   1  -8.723   4.862   2.620
   14    H    GLU   2           H        GLU   2 -12.861   1.988   2.258
   15    HA   GLU   2           HA       GLU   2 -11.574  -0.395   3.335
   16   1HB   GLU   2          1HB       GLU   2 -14.047  -0.127   2.244
   17   2HB   GLU   2          2HB       GLU   2 -13.113  -0.568   0.804
   18   1HG   GLU   2          1HG       GLU   2 -12.400  -2.619   1.768
   19   2HG   GLU   2          2HG       GLU   2 -12.920  -2.126   3.390
   20    H    CYS   3           H        CYS   3  -9.667  -0.910   2.736
   21    HA   CYS   3           HA       CYS   3  -8.730  -0.248   0.032
   22   1HB   CYS   3          1HB       CYS   3  -7.286   0.167   2.606
   23   2HB   CYS   3          2HB       CYS   3  -6.447  -0.015   1.056
   24    H    HIS   4           H        HIS   4  -6.791  -1.644  -0.479
   25    HA   HIS   4           HA       HIS   4  -7.453  -4.397  -0.013
   26   1HB   HIS   4          1HB       HIS   4  -5.277  -3.055  -1.633
   27   2HB   HIS   4          2HB       HIS   4  -5.462  -4.813  -1.505
   28    HD2  HIS   4           HD2      HIS   4  -6.955  -1.821  -3.453
   29    HE1  HIS   4           HE1      HIS   4  -9.159  -5.278  -4.560
   30    H    ASN   5           H        ASN   5  -5.988  -5.961   0.735
   31    HA   ASN   5           HA       ASN   5  -4.194  -4.952   2.832
   32   1HB   ASN   5          1HB       ASN   5  -4.712  -7.280   3.881
   33   2HB   ASN   5          2HB       ASN   5  -5.914  -5.988   4.045
   34   1HD2  ASN   5          2HD2      ASN   5  -8.403  -7.517   2.291
   35   2HD2  ASN   5          1HD2      ASN   5  -7.857  -6.212   3.130
   36    H    GLN   6           H        GLN   6  -4.837  -7.433   0.439
   37    HA   GLN   6           HA       GLN   6  -2.851  -9.227   0.654
   38   1HB   GLN   6          1HB       GLN   6  -2.676  -8.813  -2.017
   39   2HB   GLN   6          2HB       GLN   6  -4.001  -9.709  -1.254
   40   1HG   GLN   6          1HG       GLN   6  -5.502  -7.956  -1.485
   41   2HG   GLN   6          2HG       GLN   6  -4.225  -6.728  -1.518
   42   1HE2  GLN   6          2HE2      GLN   6  -5.204  -6.579  -4.870
   43   2HE2  GLN   6          1HE2      GLN   6  -5.494  -5.984  -3.365
   44    H    GLN   7           H        GLN   7  -0.745  -9.436   0.029
   45    HA   GLN   7           HA       GLN   7   0.757  -6.934  -0.282
   46   1HB   GLN   7          1HB       GLN   7   1.161  -7.550   1.923
   47   2HB   GLN   7          2HB       GLN   7   1.364  -9.260   1.504
   48   1HG   GLN   7          1HG       GLN   7   3.373  -8.587   0.126
   49   2HG   GLN   7          2HG       GLN   7   3.215  -6.960   0.812
   50   1HE2  GLN   7          2HE2      GLN   7   4.818  -7.639   3.721
   51   2HE2  GLN   7          1HE2      GLN   7   4.175  -6.561   2.658
   52    H    SER   8           H        SER   8   2.637  -7.068  -1.518
   53    HA   SER   8           HA       SER   8   3.977  -7.701  -3.263
   54   1HB   SER   8          1HB       SER   8   3.403 -10.246  -1.864
   55   2HB   SER   8          2HB       SER   8   4.062 -10.335  -3.508
   56    HG   SER   8           HG       SER   8   5.767 -10.381  -1.865
   57    H    SER   9           H        SER   9   2.191 -10.595  -3.715
   58    HA   SER   9           HA       SER   9   0.535  -9.427  -5.814
   59   1HB   SER   9          1HB       SER   9   1.103 -11.435  -7.250
   60   2HB   SER   9          2HB       SER   9   2.397 -10.237  -7.066
   61    HG   SER   9           HG       SER   9   3.212 -12.453  -6.896
   62    H    GLN  10           H        GLN  10  -0.147 -10.245  -3.213
   63    HA   GLN  10           HA       GLN  10  -1.273 -12.825  -3.109
   64   1HB   GLN  10          1HB       GLN  10  -1.038 -10.627  -1.346
   65   2HB   GLN  10          2HB       GLN  10  -2.739 -11.118  -1.411
   66   1HG   GLN  10          1HG       GLN  10  -2.229 -12.808  -0.031
   67   2HG   GLN  10          2HG       GLN  10  -1.272 -13.517  -1.344
   68   1HE2  GLN  10          2HE2      GLN  10   0.908 -13.313   1.529
   69   2HE2  GLN  10          1HE2      GLN  10  -0.454 -14.111   1.066
   70    HA   PRO  11           HA       PRO  11  -5.152 -12.306  -4.996
   71   1HB   PRO  11          1HB       PRO  11  -7.027 -13.122  -3.115
   72   2HB   PRO  11          2HB       PRO  11  -6.031 -14.208  -4.099
   73   1HG   PRO  11          1HG       PRO  11  -5.808 -13.548  -1.237
   74   2HG   PRO  11          2HG       PRO  11  -5.127 -14.919  -2.130
   75   1HD   PRO  11          2HD       PRO  11  -3.755 -12.575  -1.235
   76   2HD   PRO  11          1HD       PRO  11  -3.104 -13.889  -2.229
   77    HA   PRO  12           HA       PRO  12  -7.143  -8.547  -4.039
   78   1HB   PRO  12          1HB       PRO  12  -9.716  -8.954  -5.000
   79   2HB   PRO  12          2HB       PRO  12  -8.315  -8.584  -6.020
   80   1HG   PRO  12          1HG       PRO  12  -9.757 -11.129  -5.679
   81   2HG   PRO  12          2HG       PRO  12  -8.660 -10.625  -6.977
   82   1HD   PRO  12          2HD       PRO  12  -8.085 -12.395  -4.806
   83   2HD   PRO  12          1HD       PRO  12  -6.956 -11.797  -6.034
   84    H    THR  13           H        THR  13  -7.343  -8.101  -2.000
   85    HA   THR  13           HA       THR  13  -9.756  -8.927  -0.586
   86    HB   THR  13           HB       THR  13  -8.131  -9.245   1.455
   87    HG1  THR  13           HG1      THR  13  -6.028 -10.080   0.639
   88   1HG2  THR  13          1HG2      THR  13  -8.075 -11.242  -0.888
   89   2HG2  THR  13          2HG2      THR  13  -7.803 -11.637   0.818
   90   3HG2  THR  13          3HG2      THR  13  -9.415 -11.148   0.268
   91    H    THR  14           H        THR  14 -10.591  -7.366   0.665
   92    HA   THR  14           HA       THR  14  -9.070  -4.891   1.104
   93    HB   THR  14           HB       THR  14 -12.004  -4.690   0.731
   94    HG1  THR  14           HG1      THR  14 -11.573  -4.792  -1.735
   95   1HG2  THR  14          1HG2      THR  14  -9.678  -3.154  -0.472
   96   2HG2  THR  14          2HG2      THR  14 -11.389  -2.719  -0.607
   97   3HG2  THR  14          3HG2      THR  14 -10.589  -2.685   0.974
   98    H    LYS  15           H        LYS  15 -10.103  -3.520   2.767
   99    HA   LYS  15           HA       LYS  15 -11.665  -4.721   4.817
  100   1HB   LYS  15          1HB       LYS  15 -10.094  -5.028   6.518
  101   2HB   LYS  15          2HB       LYS  15  -9.584  -5.959   5.100
  102   1HG   LYS  15          1HG       LYS  15  -7.588  -4.943   5.229
  103   2HG   LYS  15          2HG       LYS  15  -8.391  -3.421   4.810
  104   1HD   LYS  15          1HD       LYS  15  -8.979  -3.537   7.449
  105   2HD   LYS  15          2HD       LYS  15  -7.439  -4.413   7.447
  106   1HE   LYS  15          1HE       LYS  15  -6.844  -2.144   7.780
  107   2HE   LYS  15          2HE       LYS  15  -6.519  -2.449   6.064
  108   1HZ   LYS  15          1HZ       LYS  15  -8.932  -1.124   7.058
  109   2HZ   LYS  15          2HZ       LYS  15  -7.814  -0.413   6.373
  110   3HZ   LYS  15          3HZ       LYS  15  -8.659  -1.380   5.614
  111    H    THR  16           H        THR  16 -12.225  -3.213   6.387
  112    HA   THR  16           HA       THR  16 -11.816  -0.429   5.655
  113    HB   THR  16           HB       THR  16 -13.716  -1.876   7.556
  114    HG1  THR  16           HG1      THR  16 -15.261  -1.063   5.902
  115   1HG2  THR  16          3HG2      THR  16 -13.193   0.534   8.337
  116   2HG2  THR  16          1HG2      THR  16 -13.653   1.087   6.719
  117   3HG2  THR  16          2HG2      THR  16 -14.861   0.336   7.773
  118    H    CYS  17           H        CYS  17 -10.635   0.953   6.654
  119    HA   CYS  17           HA       CYS  17  -9.012   0.055   8.890
  120   1HB   CYS  17          1HB       CYS  17  -8.637   1.914   6.686
  121   2HB   CYS  17          2HB       CYS  17  -8.236   2.651   8.248
  122    H    SER  18           H        SER  18  -8.817   1.279  10.768
  123    HA   SER  18           HA       SER  18 -11.268   2.694  11.495
  124   1HB   SER  18          1HB       SER  18 -10.501   2.304  13.844
  125   2HB   SER  18          2HB       SER  18 -10.942   0.857  12.919
  126    HG   SER  18           HG       SER  18  -8.978   0.524  14.199
  127    H    GLY  19           H        GLY  19 -11.148   4.653  12.583
  128   1HA   GLY  19          1HA       GLY  19 -10.447   6.848  12.686
  129   2HA   GLY  19          2HA       GLY  19  -9.134   6.097  13.608
  130    H    GLU  20           H        GLU  20  -9.838   5.673  10.198
  131    HA   GLU  20           HA       GLU  20  -7.714   7.404   9.324
  132   1HB   GLU  20          1HB       GLU  20  -6.562   5.317  10.064
  133   2HB   GLU  20          2HB       GLU  20  -7.400   4.477   8.748
  134   1HG   GLU  20          1HG       GLU  20  -5.048   5.342   8.234
  135   2HG   GLU  20          2HG       GLU  20  -6.321   5.789   7.086
  136    H    THR  21           H        THR  21  -8.085   8.085   7.311
  137    HA   THR  21           HA       THR  21 -10.011   6.666   5.621
  138    HB   THR  21           HB       THR  21 -11.242   8.415   6.718
  139    HG1  THR  21           HG1      THR  21 -11.846   9.578   4.702
  140   1HG2  THR  21          3HG2      THR  21  -9.260  10.025   7.125
  141   2HG2  THR  21          1HG2      THR  21  -9.222  10.314   5.377
  142   3HG2  THR  21          2HG2      THR  21 -10.634  10.808   6.327
  143    H    ASN  22           H        ASN  22  -7.194   6.565   5.486
  144    HA   ASN  22           HA       ASN  22  -6.770   7.576   2.793
  145   1HB   ASN  22          1HB       ASN  22  -4.902   8.107   5.127
  146   2HB   ASN  22          2HB       ASN  22  -4.454   8.316   3.425
  147   1HD2  ASN  22          2HD2      ASN  22  -7.142  10.804   5.257
  148   2HD2  ASN  22          1HD2      ASN  22  -6.871   9.276   5.807
  149    H    CYS  23           H        CYS  23  -4.850   6.564   1.835
  150    HA   CYS  23           HA       CYS  23  -3.812   4.158   3.077
  151   1HB   CYS  23          1HB       CYS  23  -5.504   4.061   0.614
  152   2HB   CYS  23          2HB       CYS  23  -4.372   2.785   1.098
  153    OH   TYR  24           OH       TYR  24   2.089   1.538   5.825
  154    H    TYR  24           H        TYR  24  -1.883   3.534   2.135
  155    HA   TYR  24           HA       TYR  24  -0.826   5.137  -0.071
  156   1HB   TYR  24          1HB       TYR  24   1.231   5.454   1.229
  157   2HB   TYR  24          2HB       TYR  24  -0.132   5.948   2.247
  158    HD1  TYR  24           HD1      TYR  24   2.449   3.374   1.702
  159    HD2  TYR  24           HD2      TYR  24  -0.708   4.727   4.241
  160    HE1  TYR  24           HE1      TYR  24   3.216   1.778   3.520
  161    HE2  TYR  24           HE2      TYR  24   0.073   3.127   6.050
  162    HH   TYR  24           HH       TYR  24   1.444   1.635   6.691
  163    H    LYS  25           H        LYS  25   0.932   4.159  -1.171
  164    HA   LYS  25           HA       LYS  25   1.046   1.239  -0.912
  165   1HB   LYS  25          1HB       LYS  25   0.881   3.057  -3.272
  166   2HB   LYS  25          2HB       LYS  25   1.912   1.625  -3.427
  167   1HG   LYS  25          1HG       LYS  25   0.048   0.171  -2.838
  168   2HG   LYS  25          2HG       LYS  25  -0.990   1.575  -2.540
  169   1HD   LYS  25          1HD       LYS  25  -1.491   1.775  -4.722
  170   2HD   LYS  25          2HD       LYS  25   0.216   1.675  -5.190
  171   1HE   LYS  25          1HE       LYS  25  -1.298  -0.799  -4.367
  172   2HE   LYS  25          2HE       LYS  25  -1.422  -0.173  -6.020
  173   1HZ   LYS  25          1HZ       LYS  25   1.103  -0.934  -4.748
  174   2HZ   LYS  25          2HZ       LYS  25   0.425  -1.742  -5.803
  175   3HZ   LYS  25          3HZ       LYS  25   0.999  -0.407  -6.140
  176    H    LYS  26           H        LYS  26   2.958   0.195  -1.110
  177    HA   LYS  26           HA       LYS  26   5.421   1.734  -1.111
  178   1HB   LYS  26          1HB       LYS  26   6.144   0.490   0.980
  179   2HB   LYS  26          2HB       LYS  26   5.123   1.931   1.117
  180   1HG   LYS  26          1HG       LYS  26   3.309   0.745   1.852
  181   2HG   LYS  26          2HG       LYS  26   3.714  -0.681   0.878
  182   1HD   LYS  26          1HD       LYS  26   3.957  -1.162   3.275
  183   2HD   LYS  26          2HD       LYS  26   5.527  -1.240   2.456
  184   1HE   LYS  26          1HE       LYS  26   5.480   1.380   3.197
  185   2HE   LYS  26          2HE       LYS  26   4.550   0.652   4.518
  186   1HZ   LYS  26          3HZ       LYS  26   6.453  -0.827   4.857
  187   2HZ   LYS  26          1HZ       LYS  26   7.237  -0.215   3.745
  188   3HZ   LYS  26          2HZ       LYS  26   6.938   0.578   4.972
  189    CH2  TRP  27           CH2      TRP  27   4.552   3.306  -5.551
  190    H    TRP  27           H        TRP  27   6.875   0.673  -2.259
  191    HA   TRP  27           HA       TRP  27   7.017  -2.222  -2.317
  192   1HB   TRP  27          1HB       TRP  27   6.892  -2.432  -4.683
  193   2HB   TRP  27          2HB       TRP  27   5.385  -1.782  -4.013
  194    HD1  TRP  27           HD1      TRP  27   7.988  -1.025  -6.613
  195    HE1  TRP  27           HE1      TRP  27   7.500   1.228  -7.714
  196    HE3  TRP  27           HE3      TRP  27   4.448   0.627  -3.374
  197    HZ2  TRP  27           HZ2      TRP  27   5.829   3.477  -7.306
  198    HZ3  TRP  27           HZ3      TRP  27   3.439   2.863  -3.797
  199    HH2  TRP  27           HH2      TRP  27   4.076   4.272  -5.684
  200    CH2  TRP  28           CH2      TRP  28   9.555  -4.746   1.806
  201    H    TRP  28           H        TRP  28   9.012  -2.897  -3.344
  202    HA   TRP  28           HA       TRP  28  11.036  -0.987  -4.055
  203   1HB   TRP  28          1HB       TRP  28  12.505  -1.201  -2.321
  204   2HB   TRP  28          2HB       TRP  28  10.931  -0.922  -1.556
  205    HD1  TRP  28           HD1      TRP  28  13.549  -3.719  -2.026
  206    HE1  TRP  28           HE1      TRP  28  13.119  -5.536  -0.282
  207    HE3  TRP  28           HE3      TRP  28   9.198  -1.912  -0.136
  208    HZ2  TRP  28           HZ2      TRP  28  11.187  -6.180   1.686
  209    HZ3  TRP  28           HZ3      TRP  28   8.106  -3.196   1.696
  210    HH2  TRP  28           HH2      TRP  28   9.032  -5.262   2.606
  211    H    SER  29           H        SER  29  12.639  -1.993  -5.195
  212    HA   SER  29           HA       SER  29  12.147  -4.678  -6.093
  213   1HB   SER  29          1HB       SER  29  14.027  -4.275  -7.638
  214   2HB   SER  29          2HB       SER  29  12.809  -2.991  -7.735
  215    HG   SER  29           HG       SER  29  15.014  -2.126  -7.771
  216    H    ASP  30           H        ASP  30  13.276  -6.436  -5.649
  217    HA   ASP  30           HA       ASP  30  15.249  -6.286  -3.495
  218   1HB   ASP  30          1HB       ASP  30  14.789  -8.577  -3.052
  219   2HB   ASP  30          2HB       ASP  30  13.223  -7.775  -3.259
  220    H    HIS  31           H        HIS  31  16.410  -8.769  -3.961
  221    HA   HIS  31           HA       HIS  31  18.580  -8.239  -5.548
  222   1HB   HIS  31          1HB       HIS  31  17.577 -10.516  -4.144
  223   2HB   HIS  31          2HB       HIS  31  18.366 -10.972  -5.663
  224    HD2  HIS  31           HD2      HIS  31  19.627 -11.238  -2.434
  225    HE1  HIS  31           HE1      HIS  31  22.625  -8.763  -4.140
  226    NH1  ARG  32           NH2      ARG  32  20.167 -14.316  -7.120
  227    NH2  ARG  32           NH1      ARG  32  21.789 -12.664  -7.016
  228    H    ARG  32           H        ARG  32  15.946 -10.459  -6.396
  229    HA   ARG  32           HA       ARG  32  16.056  -9.554  -9.170
  230   1HB   ARG  32          1HB       ARG  32  16.278 -12.423  -8.257
  231   2HB   ARG  32          2HB       ARG  32  15.846 -11.944  -9.908
  232   1HG   ARG  32          1HG       ARG  32  17.966 -11.302 -10.415
  233   2HG   ARG  32          2HG       ARG  32  18.257 -10.630  -8.802
  234   1HD   ARG  32          1HD       ARG  32  18.092 -13.316  -8.259
  235   2HD   ARG  32          2HD       ARG  32  18.845 -13.321  -9.863
  236    HE   ARG  32           HE       ARG  32  20.324 -11.500  -8.606
  237   1HH1  ARG  32          1HH2      ARG  32  19.341 -14.631  -7.471
  238   2HH1  ARG  32          2HH2      ARG  32  20.657 -14.851  -6.507
  239   1HH2  ARG  32          1HH1      ARG  32  22.118 -11.815  -7.284
  240   2HH2  ARG  32          2HH1      ARG  32  22.284 -13.193  -6.402
  241    H    GLY  33           H        GLY  33  14.138  -8.693  -7.579
  242   1HA   GLY  33          1HA       GLY  33  11.750  -9.635  -8.747
  243   2HA   GLY  33          2HA       GLY  33  11.878 -10.175  -7.064
  244    H    THR  34           H        THR  34   9.844  -8.744  -7.207
  245    HA   THR  34           HA       THR  34  10.532  -6.102  -6.166
  246    HB   THR  34           HB       THR  34   8.636  -6.753  -8.457
  247    HG1  THR  34           HG1      THR  34   9.936  -4.962  -9.401
  248   1HG2  THR  34          1HG2      THR  34   8.946  -4.103  -6.919
  249   2HG2  THR  34          2HG2      THR  34   7.908  -4.366  -8.330
  250   3HG2  THR  34          3HG2      THR  34   7.512  -5.135  -6.785
  251    H    ILE  35           H        ILE  35   9.735  -5.782  -4.302
  252    HA   ILE  35           HA       ILE  35   7.619  -7.503  -3.285
  253    HB   ILE  35           HB       ILE  35   9.556  -5.743  -1.845
  254   1HG1  ILE  35          1HG1      ILE  35   9.281  -8.690  -1.455
  255   2HG1  ILE  35          2HG1      ILE  35  10.065  -8.137  -2.945
  256   1HG2  ILE  35          3HG2      ILE  35   7.470  -5.630  -0.702
  257   2HG2  ILE  35          1HG2      ILE  35   7.322  -7.395  -0.725
  258   3HG2  ILE  35          2HG2      ILE  35   8.622  -6.628   0.200
  259   1HD1  ILE  35          3HD1      ILE  35  11.659  -6.803  -1.612
  260   2HD1  ILE  35          1HD1      ILE  35  10.876  -7.357  -0.122
  261   3HD1  ILE  35          2HD1      ILE  35  11.724  -8.515  -1.159
  262    H    ILE  36           H        ILE  36   5.644  -6.751  -2.876
  263    HA   ILE  36           HA       ILE  36   5.122  -3.869  -3.044
  264    HB   ILE  36           HB       ILE  36   3.171  -6.003  -3.933
  265   1HG1  ILE  36          1HG1      ILE  36   5.239  -6.275  -5.196
  266   2HG1  ILE  36          2HG1      ILE  36   3.835  -5.810  -6.173
  267   1HG2  ILE  36          1HG2      ILE  36   3.426  -3.040  -4.563
  268   2HG2  ILE  36          2HG2      ILE  36   2.170  -4.127  -5.183
  269   3HG2  ILE  36          3HG2      ILE  36   2.251  -3.763  -3.450
  270   1HD1  ILE  36          1HD1      ILE  36   6.015  -3.930  -5.196
  271   2HD1  ILE  36          2HD1      ILE  36   5.844  -4.544  -6.848
  272   3HD1  ILE  36          3HD1      ILE  36   4.612  -3.465  -6.173
  273    H    GLU  37           H        GLU  37   3.620  -3.007  -1.727
  274    HA   GLU  37           HA       GLU  37   2.241  -4.560   0.245
  275   1HB   GLU  37          1HB       GLU  37   4.386  -4.662   1.266
  276   2HB   GLU  37          2HB       GLU  37   4.606  -2.911   1.098
  277   1HG   GLU  37          1HG       GLU  37   3.930  -3.452   3.383
  278   2HG   GLU  37          2HG       GLU  37   2.644  -2.544   2.570
  279    NH1  ARG  38           NH2      ARG  38  -2.828  -4.523  -1.026
  280    NH2  ARG  38           NH1      ARG  38  -2.862  -5.007  -3.292
  281    H    ARG  38           H        ARG  38   0.874  -3.253   1.552
  282    HA   ARG  38           HA       ARG  38   0.512  -0.483   0.677
  283   1HB   ARG  38          1HB       ARG  38  -1.634  -2.606   0.974
  284   2HB   ARG  38          2HB       ARG  38  -1.972  -0.872   0.847
  285   1HG   ARG  38          1HG       ARG  38  -2.204  -1.805  -1.353
  286   2HG   ARG  38          2HG       ARG  38  -0.696  -0.876  -1.331
  287   1HD   ARG  38          1HD       ARG  38   0.555  -2.710  -1.744
  288   2HD   ARG  38          2HD       ARG  38  -0.309  -3.667  -0.528
  289    HE   ARG  38           HE       ARG  38  -0.810  -3.659  -3.336
  290   1HH1  ARG  38          1HH2      ARG  38  -2.410  -4.096  -0.287
  291   2HH1  ARG  38          2HH2      ARG  38  -3.625  -5.024  -0.896
  292   1HH2  ARG  38          1HH1      ARG  38  -2.475  -4.929  -4.156
  293   2HH2  ARG  38          2HH1      ARG  38  -3.659  -5.510  -3.170
  294    H    GLY  39           H        GLY  39  -1.219   0.532   2.182
  295   1HA   GLY  39          1HA       GLY  39  -1.463  -0.331   4.848
  296   2HA   GLY  39          2HA       GLY  39  -0.144   0.843   4.703
  297    H    CYS  40           H        CYS  40  -2.088   1.609   6.272
  298    HA   CYS  40           HA       CYS  40  -3.930   3.308   4.751
  299   1HB   CYS  40          1HB       CYS  40  -4.036   2.334   7.572
  300   2HB   CYS  40          2HB       CYS  40  -5.057   3.639   6.945
  301    H    GLY  41           H        GLY  41  -3.971   5.505   5.192
  302   1HA   GLY  41          1HA       GLY  41  -3.339   7.523   6.227
  303   2HA   GLY  41          2HA       GLY  41  -1.973   6.663   6.959
  304    H    CYS  42           H        CYS  42  -0.567   8.287   6.228
  305    HA   CYS  42           HA       CYS  42   0.436   7.869   3.558
  306   1HB   CYS  42          1HB       CYS  42  -1.194   9.703   3.269
  307   2HB   CYS  42          2HB       CYS  42  -0.337  10.636   4.507
  308    HA   PRO  43           HA       PRO  43   3.720   8.169   6.545
  309   1HB   PRO  43          1HB       PRO  43   5.338   6.303   5.269
  310   2HB   PRO  43          2HB       PRO  43   4.155   5.931   6.535
  311   1HG   PRO  43          1HG       PRO  43   4.015   5.419   3.639
  312   2HG   PRO  43          2HG       PRO  43   3.077   4.691   4.955
  313   1HD   PRO  43          2HD       PRO  43   2.217   6.705   3.115
  314   2HD   PRO  43          1HD       PRO  43   1.321   6.063   4.504
  315    H    LYS  44           H        LYS  44   6.195   8.381   6.051
  316    HA   LYS  44           HA       LYS  44   6.477  10.577   4.203
  317   1HB   LYS  44          1HB       LYS  44   7.370  10.891   6.362
  318   2HB   LYS  44          2HB       LYS  44   8.389   9.450   6.205
  319   1HG   LYS  44          1HG       LYS  44   9.989  10.760   5.333
  320   2HG   LYS  44          2HG       LYS  44   8.940  11.011   3.926
  321   1HD   LYS  44          1HD       LYS  44   8.449  13.128   4.532
  322   2HD   LYS  44          2HD       LYS  44   8.206  12.677   6.229
  323   1HE   LYS  44          1HE       LYS  44  10.156  13.683   6.704
  324   2HE   LYS  44          2HE       LYS  44  10.974  12.419   5.770
  325   1HZ   LYS  44          3HZ       LYS  44  10.712  13.873   3.837
  326   2HZ   LYS  44          1HZ       LYS  44  10.023  14.937   4.623
  327   3HZ   LYS  44          2HZ       LYS  44  11.459  14.630   4.883
  328    H    VAL  45           H        VAL  45   7.562  10.500   2.328
  329    HA   VAL  45           HA       VAL  45   8.199   7.938   1.177
  330    HB   VAL  45           HB       VAL  45   8.447   9.135  -0.899
  331   1HG1  VAL  45          1HG1      VAL  45   6.138  10.272   0.657
  332   2HG1  VAL  45          2HG1      VAL  45   6.305  10.261  -1.107
  333   3HG1  VAL  45          3HG1      VAL  45   6.177   8.733  -0.220
  334   1HG2  VAL  45          3HG2      VAL  45   8.329  11.683   0.755
  335   2HG2  VAL  45          1HG2      VAL  45   9.768  11.046  -0.060
  336   3HG2  VAL  45          2HG2      VAL  45   8.381  11.600  -1.014
  337    H    LYS  46           H        LYS  46   9.985   6.992   1.567
  338    HA   LYS  46           HA       LYS  46  12.392   8.525   2.190
  339   1HB   LYS  46          1HB       LYS  46  12.711   7.113   3.783
  340   2HB   LYS  46          2HB       LYS  46  11.280   6.190   3.295
  341   1HG   LYS  46          1HG       LYS  46  12.675   4.980   1.625
  342   2HG   LYS  46          2HG       LYS  46  14.098   5.853   2.218
  343   1HD   LYS  46          1HD       LYS  46  12.879   4.789   4.516
  344   2HD   LYS  46          2HD       LYS  46  12.792   3.497   3.307
  345   1HE   LYS  46          1HE       LYS  46  15.389   4.777   3.224
  346   2HE   LYS  46          2HE       LYS  46  15.024   4.230   4.870
  347   1HZ   LYS  46          1HZ       LYS  46  14.913   2.498   2.513
  348   2HZ   LYS  46          2HZ       LYS  46  15.996   2.443   3.537
  349   3HZ   LYS  46          3HZ       LYS  46  14.607   2.038   3.898
  350    HA   PRO  47           HA       PRO  47  14.126   7.520  -1.667
  351   1HB   PRO  47          1HB       PRO  47  16.827   7.629  -1.022
  352   2HB   PRO  47          2HB       PRO  47  15.801   9.034  -1.366
  353   1HG   PRO  47          1HG       PRO  47  16.865   8.083   1.211
  354   2HG   PRO  47          2HG       PRO  47  16.218   9.676   0.782
  355   1HD   PRO  47          2HD       PRO  47  14.912   7.616   2.275
  356   2HD   PRO  47          1HD       PRO  47  14.225   9.162   1.746
  357    H    GLY  48           H        GLY  48  14.946   5.817  -2.824
  358   1HA   GLY  48          1HA       GLY  48  15.885   3.744  -3.274
  359   2HA   GLY  48          2HA       GLY  48  16.191   3.559  -1.538
  360    H    VAL  49           H        VAL  49  13.192   4.513  -1.456
  361    HA   VAL  49           HA       VAL  49  11.966   1.898  -1.979
  362    HB   VAL  49           HB       VAL  49  11.604   3.549   0.504
  363   1HG1  VAL  49          1HG1      VAL  49  10.357   0.910  -0.347
  364   2HG1  VAL  49          2HG1      VAL  49  10.172   1.677   1.239
  365   3HG1  VAL  49          3HG1      VAL  49   9.505   2.456  -0.205
  366   1HG2  VAL  49          1HG2      VAL  49  13.722   2.416   0.490
  367   2HG2  VAL  49          2HG2      VAL  49  12.611   1.655   1.641
  368   3HG2  VAL  49          3HG2      VAL  49  12.931   0.885   0.079
  369    H    ASN  50           H        ASN  50   9.984   1.995  -2.873
  370    HA   ASN  50           HA       ASN  50   9.055   4.529  -3.893
  371   1HB   ASN  50          1HB       ASN  50   7.841   1.777  -4.287
  372   2HB   ASN  50          2HB       ASN  50   7.505   3.239  -5.231
  373   1HD2  ASN  50          2HD2      ASN  50  10.384   0.741  -6.265
  374   2HD2  ASN  50          1HD2      ASN  50   9.172   0.430  -5.196
  375    H    LEU  51           H        LEU  51   7.414   5.616  -3.023
  376    HA   LEU  51           HA       LEU  51   5.488   4.293  -1.264
  377   1HB   LEU  51          1HB       LEU  51   7.321   5.259   0.056
  378   2HB   LEU  51          2HB       LEU  51   6.783   6.856  -0.493
  379    HG   LEU  51           HG       LEU  51   6.004   6.039   1.810
  380   1HD1  LEU  51          3HD1      LEU  51   5.027   7.994   0.659
  381   2HD1  LEU  51          1HD1      LEU  51   3.935   6.923  -0.234
  382   3HD1  LEU  51          2HD1      LEU  51   3.784   7.075   1.524
  383   1HD2  LEU  51          3HD2      LEU  51   4.214   4.315   0.138
  384   2HD2  LEU  51          1HD2      LEU  51   5.476   3.783   1.262
  385   3HD2  LEU  51          2HD2      LEU  51   4.043   4.627   1.873
  386    H    ASN  52           H        ASN  52   3.469   4.938  -1.642
  387    HA   ASN  52           HA       ASN  52   2.975   7.375  -3.188
  388   1HB   ASN  52          1HB       ASN  52   2.772   5.005  -4.402
  389   2HB   ASN  52          2HB       ASN  52   1.191   5.012  -3.602
  390   1HD2  ASN  52          2HD2      ASN  52   1.346   6.637  -7.038
  391   2HD2  ASN  52          1HD2      ASN  52   2.095   5.298  -6.444
  392    H    CYS  53           H        CYS  53   1.001   8.365  -2.710
  393    HA   CYS  53           HA       CYS  53  -0.481   7.362  -0.380
  394   1HB   CYS  53          1HB       CYS  53   0.489  10.131  -0.901
  395   2HB   CYS  53          2HB       CYS  53  -0.883   9.784   0.167
  396    H    CYS  54           H        CYS  54  -2.669   7.560  -0.525
  397    HA   CYS  54           HA       CYS  54  -3.975   9.067  -2.587
  398   1HB   CYS  54          1HB       CYS  54  -5.217   7.038  -3.423
  399   2HB   CYS  54          2HB       CYS  54  -3.528   7.176  -3.940
  400    NH1  ARG  55           NH2      ARG  55  -7.257  13.637  -1.404
  401    NH2  ARG  55           NH1      ARG  55  -5.395  14.908  -0.865
  402    H    ARG  55           H        ARG  55  -6.330   8.868  -2.370
  403    HA   ARG  55           HA       ARG  55  -7.157   8.205   0.364
  404   1HB   ARG  55          1HB       ARG  55  -7.961  10.674  -1.186
  405   2HB   ARG  55          2HB       ARG  55  -8.582  10.191   0.402
  406   1HG   ARG  55          1HG       ARG  55  -6.142  10.211   1.186
  407   2HG   ARG  55          2HG       ARG  55  -5.778  11.058  -0.327
  408   1HD   ARG  55          1HD       ARG  55  -8.001  12.402   0.752
  409   2HD   ARG  55          2HD       ARG  55  -6.927  12.097   2.129
  410    HE   ARG  55           HE       ARG  55  -5.370  13.524   1.163
  411   1HH1  ARG  55          1HH2      ARG  55  -7.867  12.944  -1.179
  412   2HH1  ARG  55          2HH2      ARG  55  -7.359  14.114  -2.220
  413   1HH2  ARG  55          1HH1      ARG  55  -4.687  15.121  -0.268
  414   2HH2  ARG  55          2HH1      ARG  55  -5.489  15.388  -1.679
  415    H    THR  56           H        THR  56  -7.424   6.965  -2.379
  416    HA   THR  56           HA       THR  56 -10.351   6.857  -2.592
  417    HB   THR  56           HB       THR  56  -9.653   5.730  -4.849
  418    HG1  THR  56           HG1      THR  56  -7.447   6.726  -5.502
  419   1HG2  THR  56          3HG2      THR  56 -10.714   7.954  -4.748
  420   2HG2  THR  56          1HG2      THR  56  -9.136   8.693  -4.428
  421   3HG2  THR  56          2HG2      THR  56  -9.445   7.905  -5.984
  422    H    ASP  57           H        ASP  57 -11.414   4.963  -2.648
  423    HA   ASP  57           HA       ASP  57 -10.528   2.966  -0.899
  424   1HB   ASP  57          1HB       ASP  57 -12.868   3.368  -2.667
  425   2HB   ASP  57          2HB       ASP  57 -12.468   1.685  -2.283
  426    NH1  ARG  58           NH2      ARG  58 -12.916  -5.089  -3.924
  427    NH2  ARG  58           NH1      ARG  58 -14.601  -3.498  -3.931
  428    H    ARG  58           H        ARG  58  -9.648   0.989  -1.314
  429    HA   ARG  58           HA       ARG  58  -8.304  -0.559  -2.341
  430   1HB   ARG  58          1HB       ARG  58 -10.642  -0.181  -4.150
  431   2HB   ARG  58          2HB       ARG  58  -9.259  -1.121  -4.739
  432   1HG   ARG  58          1HG       ARG  58  -9.412  -2.450  -2.567
  433   2HG   ARG  58          2HG       ARG  58 -10.972  -1.653  -2.299
  434   1HD   ARG  58          1HD       ARG  58 -10.571  -2.896  -4.974
  435   2HD   ARG  58          2HD       ARG  58 -10.722  -4.010  -3.605
  436    HE   ARG  58           HE       ARG  58 -12.730  -1.907  -3.961
  437   1HH1  ARG  58          1HH2      ARG  58 -11.989  -5.299  -3.928
  438   2HH1  ARG  58          2HH2      ARG  58 -13.560  -5.787  -3.912
  439   1HH2  ARG  58          1HH1      ARG  58 -14.875  -2.588  -3.939
  440   2HH2  ARG  58          2HH1      ARG  58 -15.252  -4.191  -3.919
  441    H    CYS  59           H        CYS  59  -7.765   2.337  -2.738
  442    HA   CYS  59           HA       CYS  59  -6.790   2.766  -5.374
  443   1HB   CYS  59          1HB       CYS  59  -5.865   4.768  -4.632
  444   2HB   CYS  59          2HB       CYS  59  -7.456   4.586  -3.872
  445    H    ASN  60           H        ASN  60  -5.561   1.446  -2.404
  446    HA   ASN  60           HA       ASN  60  -2.859   1.176  -3.474
  447   1HB   ASN  60          1HB       ASN  60  -2.309   0.326  -1.188
  448   2HB   ASN  60          2HB       ASN  60  -2.956   1.976  -1.181
  449   1HD2  ASN  60          2HD2      ASN  60  -4.653   0.456   1.543
  450   2HD2  ASN  60          1HD2      ASN  60  -3.191   1.087   1.124
  451    H    ASN  61           H        ASN  61  -3.349  -0.430  -5.002
  452    HA   ASN  61           HA       ASN  61  -3.823  -3.103  -3.888
  453   1HB   ASN  61          1HB       ASN  61  -5.819  -2.399  -5.159
  454   2HB   ASN  61          2HB       ASN  61  -4.800  -2.035  -6.563
  455   1HD2  ASN  61          2HD2      ASN  61  -6.425  -5.397  -6.744
  456   2HD2  ASN  61          1HD2      ASN  61  -6.979  -3.892  -6.372
   
  Start of MODEL          18
 Raw file had 456 H/Q atoms
  Start of MODEL   18
    1   1H    LEU   1          2H        LEU   1 -14.695   2.623   4.816
    2   2H    LEU   1          3H        LEU   1 -13.671   3.112   5.784
    3   3H    LEU   1          1H        LEU   1 -14.505   4.087   5.025
    4    HA   LEU   1           HA       LEU   1 -13.518   3.500   2.907
    5   1HB   LEU   1          1HB       LEU   1 -12.465   5.179   4.692
    6   2HB   LEU   1          2HB       LEU   1 -11.182   3.957   4.699
    7    HG   LEU   1           HG       LEU   1 -11.997   4.844   2.017
    8   1HD1  LEU   1          1HD1      LEU   1 -10.770   6.853   3.868
    9   2HD1  LEU   1          2HD1      LEU   1 -10.905   6.997   2.107
   10   3HD1  LEU   1          3HD1      LEU   1 -12.367   6.928   3.106
   11   1HD2  LEU   1          3HD2      LEU   1  -9.325   4.672   3.457
   12   2HD2  LEU   1          1HD2      LEU   1 -10.033   3.406   2.442
   13   3HD2  LEU   1          2HD2      LEU   1  -9.549   4.949   1.722
   14    H    GLU   2           H        GLU   2 -13.069   1.830   1.830
   15    HA   GLU   2           HA       GLU   2 -11.940  -0.515   3.137
   16   1HB   GLU   2          1HB       GLU   2 -14.044  -0.282   1.407
   17   2HB   GLU   2          2HB       GLU   2 -12.730  -0.858   0.367
   18   1HG   GLU   2          1HG       GLU   2 -12.269  -2.658   2.048
   19   2HG   GLU   2          2HG       GLU   2 -13.700  -2.125   2.948
   20    H    CYS   3           H        CYS   3  -9.859  -0.872   2.937
   21    HA   CYS   3           HA       CYS   3  -8.430   0.031   0.542
   22   1HB   CYS   3          1HB       CYS   3  -7.485   0.028   3.413
   23   2HB   CYS   3          2HB       CYS   3  -6.402   0.210   2.021
   24    H    HIS   4           H        HIS   4  -6.554  -1.263   0.042
   25    HA   HIS   4           HA       HIS   4  -7.190  -4.054   0.135
   26   1HB   HIS   4          1HB       HIS   4  -5.153  -2.359  -1.248
   27   2HB   HIS   4          2HB       HIS   4  -4.813  -4.087  -1.047
   28    HD2  HIS   4           HD2      HIS   4  -6.481  -1.840  -3.552
   29    HE1  HIS   4           HE1      HIS   4  -8.283  -5.644  -4.110
   30    H    ASN   5           H        ASN   5  -5.608  -5.665   0.722
   31    HA   ASN   5           HA       ASN   5  -4.027  -4.904   3.072
   32   1HB   ASN   5          1HB       ASN   5  -6.345  -6.635   2.975
   33   2HB   ASN   5          2HB       ASN   5  -4.910  -7.561   3.448
   34   1HD2  ASN   5          2HD2      ASN   5  -5.908  -6.576   6.634
   35   2HD2  ASN   5          1HD2      ASN   5  -6.026  -7.747   5.484
   36    H    GLN   6           H        GLN   6  -4.686  -7.320   0.592
   37    HA   GLN   6           HA       GLN   6  -2.697  -9.121   0.819
   38   1HB   GLN   6          1HB       GLN   6  -2.542  -8.874  -1.819
   39   2HB   GLN   6          2HB       GLN   6  -3.986  -9.553  -1.048
   40   1HG   GLN   6          1HG       GLN   6  -5.260  -7.670  -1.456
   41   2HG   GLN   6          2HG       GLN   6  -3.855  -6.590  -1.458
   42   1HE2  GLN   6          2HE2      GLN   6  -4.318  -6.380  -4.857
   43   2HE2  GLN   6          1HE2      GLN   6  -4.456  -5.654  -3.387
   44    H    GLN   7           H        GLN   7  -0.591  -9.320   0.311
   45    HA   GLN   7           HA       GLN   7   0.899  -6.840  -0.176
   46   1HB   GLN   7          1HB       GLN   7   1.058  -8.616   2.087
   47   2HB   GLN   7          2HB       GLN   7   2.617  -8.456   1.261
   48   1HG   GLN   7          1HG       GLN   7   2.898  -6.426   2.162
   49   2HG   GLN   7          2HG       GLN   7   1.406  -5.868   1.387
   50   1HE2  GLN   7          2HE2      GLN   7  -0.491  -5.774   4.207
   51   2HE2  GLN   7          1HE2      GLN   7  -0.327  -5.505   2.592
   52    H    SER   8           H        SER   8   2.861  -7.094  -1.290
   53    HA   SER   8           HA       SER   8   4.221  -7.854  -2.967
   54   1HB   SER   8          1HB       SER   8   3.683 -10.250  -1.313
   55   2HB   SER   8          2HB       SER   8   4.376 -10.499  -2.926
   56    HG   SER   8           HG       SER   8   6.049 -10.321  -1.260
   57    H    SER   9           H        SER   9   2.486 -10.819  -3.117
   58    HA   SER   9           HA       SER   9   0.892  -9.928  -5.396
   59   1HB   SER   9          1HB       SER   9   3.212 -11.272  -5.823
   60   2HB   SER   9          2HB       SER   9   2.092 -12.630  -5.621
   61    HG   SER   9           HG       SER   9   2.315 -11.997  -7.891
   62    H    GLN  10           H        GLN  10  -0.081 -10.239  -2.898
   63    HA   GLN  10           HA       GLN  10  -1.199 -12.837  -2.472
   64   1HB   GLN  10          1HB       GLN  10  -1.018 -10.390  -0.981
   65   2HB   GLN  10          2HB       GLN  10  -2.666 -11.041  -0.952
   66   1HG   GLN  10          1HG       GLN  10  -1.976 -13.078  -0.001
   67   2HG   GLN  10          2HG       GLN  10  -0.285 -12.831  -0.474
   68   1HE2  GLN  10          2HE2      GLN  10   0.345 -11.983   2.781
   69   2HE2  GLN  10          1HE2      GLN  10   0.548 -13.047   1.542
   70    HA   PRO  11           HA       PRO  11  -4.984 -12.391  -4.550
   71   1HB   PRO  11          1HB       PRO  11  -6.916 -13.114  -2.687
   72   2HB   PRO  11          2HB       PRO  11  -5.897 -14.246  -3.592
   73   1HG   PRO  11          1HG       PRO  11  -5.752 -13.457  -0.759
   74   2HG   PRO  11          2HG       PRO  11  -5.050 -14.869  -1.569
   75   1HD   PRO  11          2HD       PRO  11  -3.699 -12.488  -0.741
   76   2HD   PRO  11          1HD       PRO  11  -3.022 -13.848  -1.654
   77    HA   PRO  12           HA       PRO  12  -7.037  -8.610  -3.821
   78   1HB   PRO  12          1HB       PRO  12  -9.625  -9.102  -4.699
   79   2HB   PRO  12          2HB       PRO  12  -8.247  -8.794  -5.770
   80   1HG   PRO  12          1HG       PRO  12  -9.661 -11.320  -5.225
   81   2HG   PRO  12          2HG       PRO  12  -8.593 -10.900  -6.575
   82   1HD   PRO  12          2HD       PRO  12  -7.963 -12.510  -4.296
   83   2HD   PRO  12          1HD       PRO  12  -6.863 -11.994  -5.586
   84    H    THR  13           H        THR  13  -6.922  -8.458  -1.645
   85    HA   THR  13           HA       THR  13  -9.384  -9.075  -0.173
   86    HB   THR  13           HB       THR  13  -7.741  -9.301   1.827
   87    HG1  THR  13           HG1      THR  13  -5.577  -9.997   1.045
   88   1HG2  THR  13          1HG2      THR  13  -7.522 -11.318  -0.489
   89   2HG2  THR  13          2HG2      THR  13  -7.241 -11.673   1.225
   90   3HG2  THR  13          3HG2      THR  13  -8.876 -11.302   0.654
   91    H    THR  14           H        THR  14 -10.203  -7.471   1.036
   92    HA   THR  14           HA       THR  14  -8.717  -4.957   1.329
   93    HB   THR  14           HB       THR  14 -11.690  -4.903   0.837
   94    HG1  THR  14           HG1      THR  14 -11.213  -5.010  -1.519
   95   1HG2  THR  14          3HG2      THR  14 -10.248  -2.772   1.092
   96   2HG2  THR  14          1HG2      THR  14  -9.331  -3.300  -0.328
   97   3HG2  THR  14          2HG2      THR  14 -11.046  -2.883  -0.486
   98    H    LYS  15           H        LYS  15  -9.877  -3.504   2.893
   99    HA   LYS  15           HA       LYS  15 -11.265  -4.803   5.053
  100   1HB   LYS  15          1HB       LYS  15  -8.764  -5.332   5.246
  101   2HB   LYS  15          2HB       LYS  15  -8.652  -3.672   5.858
  102   1HG   LYS  15          1HG       LYS  15  -9.473  -4.309   7.845
  103   2HG   LYS  15          2HG       LYS  15 -10.911  -4.990   7.068
  104   1HD   LYS  15          1HD       LYS  15 -10.154  -7.099   7.297
  105   2HD   LYS  15          2HD       LYS  15  -8.544  -6.667   6.696
  106   1HE   LYS  15          1HE       LYS  15  -8.195  -5.587   9.028
  107   2HE   LYS  15          2HE       LYS  15  -9.601  -6.544   9.522
  108   1HZ   LYS  15          3HZ       LYS  15  -8.341  -8.503   8.814
  109   2HZ   LYS  15          1HZ       LYS  15  -7.157  -7.698   8.399
  110   3HZ   LYS  15          2HZ       LYS  15  -7.532  -7.783   9.840
  111    H    THR  16           H        THR  16 -11.914  -3.254   6.663
  112    HA   THR  16           HA       THR  16 -12.252  -0.572   5.572
  113    HB   THR  16           HB       THR  16 -13.745  -2.066   7.713
  114    HG1  THR  16           HG1      THR  16 -15.426  -1.879   5.863
  115   1HG2  THR  16          3HG2      THR  16 -13.820   0.365   8.130
  116   2HG2  THR  16          1HG2      THR  16 -14.332   0.638   6.456
  117   3HG2  THR  16          2HG2      THR  16 -15.391  -0.240   7.574
  118    H    CYS  17           H        CYS  17 -11.226   1.086   6.428
  119    HA   CYS  17           HA       CYS  17  -9.727   0.746   8.913
  120   1HB   CYS  17          1HB       CYS  17  -9.422   2.761   6.678
  121   2HB   CYS  17          2HB       CYS  17  -8.504   2.796   8.194
  122    H    SER  18           H        SER  18  -9.860   2.273  10.526
  123    HA   SER  18           HA       SER  18 -12.207   4.034  10.450
  124   1HB   SER  18          1HB       SER  18 -11.835   1.783  12.103
  125   2HB   SER  18          2HB       SER  18 -11.667   3.220  13.126
  126    HG   SER  18           HG       SER  18 -13.907   2.459  13.030
  127    H    GLY  19           H        GLY  19 -12.048   5.883  11.794
  128   1HA   GLY  19          1HA       GLY  19 -11.039   7.603  12.957
  129   2HA   GLY  19          2HA       GLY  19  -9.590   6.591  13.090
  130    H    GLU  20           H        GLU  20  -8.995   6.067  10.514
  131    HA   GLU  20           HA       GLU  20  -8.430   8.706   9.362
  132   1HB   GLU  20          1HB       GLU  20  -6.342   8.058   9.867
  133   2HB   GLU  20          2HB       GLU  20  -6.716   6.330   9.743
  134   1HG   GLU  20          1HG       GLU  20  -6.955   7.849   7.214
  135   2HG   GLU  20          2HG       GLU  20  -5.312   7.737   7.870
  136    H    THR  21           H        THR  21  -8.778   9.001   7.226
  137    HA   THR  21           HA       THR  21 -10.047   6.822   5.723
  138    HB   THR  21           HB       THR  21 -11.382   8.605   4.608
  139    HG1  THR  21           HG1      THR  21 -11.257  10.765   5.659
  140   1HG2  THR  21          1HG2      THR  21 -11.439   8.824   7.679
  141   2HG2  THR  21          2HG2      THR  21 -12.781   9.207   6.588
  142   3HG2  THR  21          3HG2      THR  21 -12.253   7.527   6.789
  143    H    ASN  22           H        ASN  22  -7.388   6.895   5.592
  144    HA   ASN  22           HA       ASN  22  -6.874   7.702   2.855
  145   1HB   ASN  22          1HB       ASN  22  -5.082   8.503   5.172
  146   2HB   ASN  22          2HB       ASN  22  -4.685   8.689   3.455
  147   1HD2  ASN  22          2HD2      ASN  22  -7.589  10.979   5.216
  148   2HD2  ASN  22          1HD2      ASN  22  -7.212   9.484   5.791
  149    H    CYS  23           H        CYS  23  -5.022   6.598   1.995
  150    HA   CYS  23           HA       CYS  23  -3.762   4.490   3.535
  151   1HB   CYS  23          1HB       CYS  23  -5.347   3.793   1.094
  152   2HB   CYS  23          2HB       CYS  23  -4.359   2.711   2.091
  153    OH   TYR  24           OH       TYR  24   2.971   1.941   5.441
  154    H    TYR  24           H        TYR  24  -1.966   3.598   2.364
  155    HA   TYR  24           HA       TYR  24  -1.059   5.050  -0.014
  156   1HB   TYR  24          1HB       TYR  24   0.968   5.657   1.041
  157   2HB   TYR  24          2HB       TYR  24  -0.276   6.002   2.256
  158    HD1  TYR  24           HD2      TYR  24  -0.630   4.352   4.132
  159    HD2  TYR  24           HD1      TYR  24   2.720   4.144   1.494
  160    HE1  TYR  24           HE2      TYR  24   0.599   2.886   5.798
  161    HE2  TYR  24           HE1      TYR  24   3.938   2.676   3.168
  162    HH   TYR  24           HH       TYR  24   2.344   1.781   6.311
  163    H    LYS  25           H        LYS  25   0.770   3.987  -1.026
  164    HA   LYS  25           HA       LYS  25   1.046   1.133  -0.411
  165   1HB   LYS  25          1HB       LYS  25   1.365   0.974  -3.014
  166   2HB   LYS  25          2HB       LYS  25  -0.268   1.002  -2.327
  167   1HG   LYS  25          1HG       LYS  25  -0.703   3.130  -3.090
  168   2HG   LYS  25          2HG       LYS  25   0.997   3.625  -3.001
  169   1HD   LYS  25          1HD       LYS  25   1.308   3.142  -5.169
  170   2HD   LYS  25          2HD       LYS  25   0.674   1.504  -4.941
  171   1HE   LYS  25          1HE       LYS  25  -0.707   2.610  -6.579
  172   2HE   LYS  25          2HE       LYS  25  -1.648   2.467  -5.085
  173   1HZ   LYS  25          3HZ       LYS  25  -1.072   4.793  -4.663
  174   2HZ   LYS  25          1HZ       LYS  25  -0.280   4.915  -5.922
  175   3HZ   LYS  25          2HZ       LYS  25  -1.758   4.722  -5.987
  176    H    LYS  26           H        LYS  26   2.984   0.174  -0.949
  177    HA   LYS  26           HA       LYS  26   5.247   1.866  -1.599
  178   1HB   LYS  26          1HB       LYS  26   6.427   0.928   0.487
  179   2HB   LYS  26          2HB       LYS  26   5.424   2.386   0.564
  180   1HG   LYS  26          1HG       LYS  26   3.618   1.220   1.566
  181   2HG   LYS  26          2HG       LYS  26   4.300  -0.360   1.143
  182   1HD   LYS  26          1HD       LYS  26   5.639   1.583   3.045
  183   2HD   LYS  26          2HD       LYS  26   4.539   0.297   3.575
  184   1HE   LYS  26          1HE       LYS  26   6.026  -1.379   2.495
  185   2HE   LYS  26          2HE       LYS  26   7.145  -0.075   2.060
  186   1HZ   LYS  26          1HZ       LYS  26   6.461  -0.789   4.816
  187   2HZ   LYS  26          2HZ       LYS  26   7.767  -1.110   4.171
  188   3HZ   LYS  26          3HZ       LYS  26   7.403   0.308   4.450
  189    CH2  TRP  27           CH2      TRP  27   4.185   3.056  -5.913
  190    H    TRP  27           H        TRP  27   6.757   0.731  -2.652
  191    HA   TRP  27           HA       TRP  27   7.019  -2.129  -2.416
  192   1HB   TRP  27          1HB       TRP  27   6.717  -2.560  -4.797
  193   2HB   TRP  27          2HB       TRP  27   5.231  -1.906  -4.087
  194    HD1  TRP  27           HD1      TRP  27   7.609  -1.299  -6.914
  195    HE1  TRP  27           HE1      TRP  27   6.995   0.860  -8.140
  196    HE3  TRP  27           HE3      TRP  27   4.301   0.549  -3.539
  197    HZ2  TRP  27           HZ2      TRP  27   5.319   3.110  -7.769
  198    HZ3  TRP  27           HZ3      TRP  27   3.220   2.734  -4.048
  199    HH2  TRP  27           HH2      TRP  27   3.681   4.003  -6.079
  200    CH2  TRP  28           CH2      TRP  28   9.721  -4.443   1.593
  201    H    TRP  28           H        TRP  28   8.883  -2.889  -3.616
  202    HA   TRP  28           HA       TRP  28  10.840  -0.999  -4.537
  203   1HB   TRP  28          1HB       TRP  28  12.428  -1.153  -2.894
  204   2HB   TRP  28          2HB       TRP  28  10.906  -0.820  -2.050
  205    HD1  TRP  28           HD1      TRP  28  13.458  -3.674  -2.549
  206    HE1  TRP  28           HE1      TRP  28  13.125  -5.395  -0.686
  207    HE3  TRP  28           HE3      TRP  28   9.269  -1.705  -0.464
  208    HZ2  TRP  28           HZ2      TRP  28  11.325  -5.906   1.436
  209    HZ3  TRP  28           HZ3      TRP  28   8.288  -2.879   1.500
  210    HH2  TRP  28           HH2      TRP  28   9.248  -4.909   2.451
  211    H    SER  29           H        SER  29  12.149  -2.024  -5.920
  212    HA   SER  29           HA       SER  29  11.803  -4.872  -6.351
  213   1HB   SER  29          1HB       SER  29  13.193  -4.424  -8.416
  214   2HB   SER  29          2HB       SER  29  11.636  -3.579  -8.356
  215    HG   SER  29           HG       SER  29  13.375  -2.177  -9.139
  216    H    ASP  30           H        ASP  30  13.402  -6.344  -6.269
  217    HA   ASP  30           HA       ASP  30  15.806  -5.574  -4.785
  218   1HB   ASP  30          1HB       ASP  30  15.971  -8.111  -4.448
  219   2HB   ASP  30          2HB       ASP  30  14.704  -7.244  -3.562
  220    H    HIS  31           H        HIS  31  17.434  -7.622  -5.318
  221    HA   HIS  31           HA       HIS  31  18.776  -7.015  -7.615
  222   1HB   HIS  31          1HB       HIS  31  18.871  -9.194  -5.705
  223   2HB   HIS  31          2HB       HIS  31  19.453  -9.603  -7.328
  224    HD2  HIS  31           HD2      HIS  31  21.332  -7.309  -8.220
  225    HE1  HIS  31           HE1      HIS  31  22.942  -7.202  -4.294
  226    NH1  ARG  32           NH2      ARG  32  16.857 -14.217 -14.160
  227    NH2  ARG  32           NH1      ARG  32  16.105 -12.232 -15.091
  228    H    ARG  32           H        ARG  32  16.800  -9.929  -7.187
  229    HA   ARG  32           HA       ARG  32  15.897  -9.709  -9.960
  230   1HB   ARG  32          1HB       ARG  32  17.627 -11.401 -10.001
  231   2HB   ARG  32          2HB       ARG  32  16.934 -12.203  -8.580
  232   1HG   ARG  32          1HG       ARG  32  15.369 -13.281  -9.807
  233   2HG   ARG  32          2HG       ARG  32  15.030 -11.851 -10.797
  234   1HD   ARG  32          1HD       ARG  32  17.680 -12.978 -11.328
  235   2HD   ARG  32          2HD       ARG  32  16.375 -14.137 -11.635
  236    HE   ARG  32           HE       ARG  32  15.990 -11.492 -12.752
  237   1HH1  ARG  32          1HH2      ARG  32  17.082 -14.725 -13.389
  238   2HH1  ARG  32          2HH2      ARG  32  16.938 -14.603 -15.024
  239   1HH2  ARG  32          1HH1      ARG  32  15.800 -11.338 -14.989
  240   2HH2  ARG  32          2HH1      ARG  32  16.185 -12.611 -15.958
  241    H    GLY  33           H        GLY  33  14.304  -8.738  -8.179
  242   1HA   GLY  33          1HA       GLY  33  11.984 -10.346  -8.287
  243   2HA   GLY  33          2HA       GLY  33  12.631 -10.271  -6.639
  244    H    THR  34           H        THR  34  10.320  -9.283  -6.618
  245    HA   THR  34           HA       THR  34  10.611  -6.441  -6.261
  246    HB   THR  34           HB       THR  34   8.648  -7.622  -8.257
  247    HG1  THR  34           HG1      THR  34   9.979  -6.062  -9.697
  248   1HG2  THR  34          3HG2      THR  34   7.629  -5.742  -7.027
  249   2HG2  THR  34          1HG2      THR  34   9.029  -4.729  -7.416
  250   3HG2  THR  34          2HG2      THR  34   7.964  -5.302  -8.710
  251    H    ILE  35           H        ILE  35   9.858  -6.035  -4.400
  252    HA   ILE  35           HA       ILE  35   7.756  -7.706  -3.246
  253    HB   ILE  35           HB       ILE  35   9.702  -5.895  -1.880
  254   1HG1  ILE  35          1HG1      ILE  35   9.468  -8.900  -1.695
  255   2HG1  ILE  35          2HG1      ILE  35  10.480  -8.128  -2.929
  256   1HG2  ILE  35          3HG2      ILE  35   7.624  -5.847  -0.719
  257   2HG2  ILE  35          1HG2      ILE  35   7.540  -7.616  -0.725
  258   3HG2  ILE  35          2HG2      ILE  35   8.820  -6.794   0.181
  259   1HD1  ILE  35          1HD1      ILE  35  10.731  -7.723   0.074
  260   2HD1  ILE  35          2HD1      ILE  35  11.808  -8.708  -0.931
  261   3HD1  ILE  35          3HD1      ILE  35  11.741  -6.952  -1.159
  262    H    ILE  36           H        ILE  36   5.850  -6.837  -2.626
  263    HA   ILE  36           HA       ILE  36   5.386  -3.973  -3.040
  264    HB   ILE  36           HB       ILE  36   3.488  -6.226  -3.777
  265   1HG1  ILE  36          1HG1      ILE  36   3.972  -5.053  -6.107
  266   2HG1  ILE  36          2HG1      ILE  36   5.554  -4.864  -5.331
  267   1HG2  ILE  36          1HG2      ILE  36   3.296  -3.223  -4.208
  268   2HG2  ILE  36          2HG2      ILE  36   2.138  -4.429  -4.795
  269   3HG2  ILE  36          3HG2      ILE  36   2.335  -4.164  -3.055
  270   1HD1  ILE  36          1HD1      ILE  36   4.017  -7.472  -5.611
  271   2HD1  ILE  36          2HD1      ILE  36   5.424  -6.992  -6.574
  272   3HD1  ILE  36          3HD1      ILE  36   5.598  -7.283  -4.836
  273    H    GLU  37           H        GLU  37   3.901  -2.995  -1.749
  274    HA   GLU  37           HA       GLU  37   2.793  -4.430   0.505
  275   1HB   GLU  37          1HB       GLU  37   4.920  -4.049   1.412
  276   2HB   GLU  37          2HB       GLU  37   4.944  -2.370   0.849
  277   1HG   GLU  37          1HG       GLU  37   4.440  -2.429   3.234
  278   2HG   GLU  37          2HG       GLU  37   3.017  -1.872   2.337
  279    NH1  ARG  38           NH2      ARG  38   1.925  -1.187  -3.631
  280    NH2  ARG  38           NH1      ARG  38   1.035  -1.826  -5.674
  281    H    ARG  38           H        ARG  38   1.043  -3.420   1.344
  282    HA   ARG  38           HA       ARG  38   0.413  -0.674   0.672
  283   1HB   ARG  38          1HB       ARG  38  -1.275  -3.044  -0.174
  284   2HB   ARG  38          2HB       ARG  38  -1.912  -1.394  -0.054
  285   1HG   ARG  38          1HG       ARG  38  -1.284  -1.292  -2.241
  286   2HG   ARG  38          2HG       ARG  38   0.305  -0.932  -1.542
  287   1HD   ARG  38          1HD       ARG  38   1.090  -3.124  -1.889
  288   2HD   ARG  38          2HD       ARG  38  -0.547  -3.781  -2.064
  289    HE   ARG  38           HE       ARG  38  -0.422  -3.241  -4.294
  290   1HH1  ARG  38          1HH2      ARG  38   1.930  -1.258  -2.683
  291   2HH1  ARG  38          2HH2      ARG  38   2.535  -0.605  -4.066
  292   1HH2  ARG  38          1HH1      ARG  38   0.416  -2.342  -6.179
  293   2HH2  ARG  38          2HH1      ARG  38   1.642  -1.245  -6.118
  294    H    GLY  39           H        GLY  39  -1.247   0.196   1.943
  295   1HA   GLY  39          1HA       GLY  39  -2.711  -1.167   3.901
  296   2HA   GLY  39          2HA       GLY  39  -1.236  -0.507   4.626
  297    H    CYS  40           H        CYS  40  -3.132   0.583   5.799
  298    HA   CYS  40           HA       CYS  40  -4.246   2.893   4.431
  299   1HB   CYS  40          1HB       CYS  40  -4.917   1.412   6.848
  300   2HB   CYS  40          2HB       CYS  40  -5.083   3.172   6.960
  301    H    GLY  41           H        GLY  41  -3.997   4.996   5.466
  302   1HA   GLY  41          1HA       GLY  41  -2.888   6.542   6.889
  303   2HA   GLY  41          2HA       GLY  41  -1.580   5.359   7.061
  304    H    CYS  42           H        CYS  42  -0.454   7.492   6.544
  305    HA   CYS  42           HA       CYS  42   0.390   7.429   3.779
  306   1HB   CYS  42          1HB       CYS  42  -1.436   8.949   3.611
  307   2HB   CYS  42          2HB       CYS  42  -0.784   9.926   4.938
  308    HA   PRO  43           HA       PRO  43   3.632   8.185   6.903
  309   1HB   PRO  43          1HB       PRO  43   5.333   6.178   6.009
  310   2HB   PRO  43          2HB       PRO  43   4.151   6.006   7.318
  311   1HG   PRO  43          1HG       PRO  43   4.063   4.948   4.571
  312   2HG   PRO  43          2HG       PRO  43   3.137   4.448   5.996
  313   1HD   PRO  43          2HD       PRO  43   2.225   6.043   3.804
  314   2HD   PRO  43          1HD       PRO  43   1.338   5.641   5.285
  315    H    LYS  44           H        LYS  44   6.121   8.347   6.364
  316    HA   LYS  44           HA       LYS  44   6.329  10.133   4.095
  317   1HB   LYS  44          1HB       LYS  44   8.438  10.825   5.044
  318   2HB   LYS  44          2HB       LYS  44   7.242  10.763   6.350
  319   1HG   LYS  44          1HG       LYS  44   8.083   8.455   6.903
  320   2HG   LYS  44          2HG       LYS  44   9.377   8.704   5.720
  321   1HD   LYS  44          1HD       LYS  44  10.369  10.423   6.991
  322   2HD   LYS  44          2HD       LYS  44   8.907  10.671   7.962
  323   1HE   LYS  44          1HE       LYS  44   9.231   8.479   9.028
  324   2HE   LYS  44          2HE       LYS  44  10.674   8.200   8.037
  325   1HZ   LYS  44          1HZ       LYS  44  10.436  10.354  10.006
  326   2HZ   LYS  44          2HZ       LYS  44  11.255   9.125  10.210
  327   3HZ   LYS  44          3HZ       LYS  44  11.650  10.120   9.172
  328    H    VAL  45           H        VAL  45   7.418   9.838   2.323
  329    HA   VAL  45           HA       VAL  45   8.014   7.148   1.538
  330    HB   VAL  45           HB       VAL  45   6.872   8.713   0.052
  331   1HG1  VAL  45          1HG1      VAL  45   9.498  10.172  -0.031
  332   2HG1  VAL  45          2HG1      VAL  45   8.111  10.458  -1.094
  333   3HG1  VAL  45          3HG1      VAL  45   7.972  10.763   0.645
  334   1HG2  VAL  45          1HG2      VAL  45   8.086   6.765  -0.861
  335   2HG2  VAL  45          2HG2      VAL  45   8.177   8.147  -1.965
  336   3HG2  VAL  45          3HG2      VAL  45   9.568   7.730  -0.951
  337    H    LYS  46           H        LYS  46   9.865   6.273   2.132
  338    HA   LYS  46           HA       LYS  46  12.209   7.797   2.801
  339   1HB   LYS  46          1HB       LYS  46  11.492   4.930   3.011
  340   2HB   LYS  46          2HB       LYS  46  13.173   5.470   3.155
  341   1HG   LYS  46          1HG       LYS  46  12.064   7.261   4.793
  342   2HG   LYS  46          2HG       LYS  46  10.838   5.991   4.948
  343   1HD   LYS  46          1HD       LYS  46  12.171   4.971   6.435
  344   2HD   LYS  46          2HD       LYS  46  13.325   4.675   5.123
  345   1HE   LYS  46          1HE       LYS  46  14.787   6.118   6.024
  346   2HE   LYS  46          2HE       LYS  46  13.567   7.403   6.035
  347   1HZ   LYS  46          3HZ       LYS  46  12.839   6.499   8.174
  348   2HZ   LYS  46          1HZ       LYS  46  13.867   5.418   8.164
  349   3HZ   LYS  46          2HZ       LYS  46  14.286   6.843   8.289
  350    HA   PRO  47           HA       PRO  47  14.199   7.419  -1.070
  351   1HB   PRO  47          1HB       PRO  47  16.855   7.262  -0.272
  352   2HB   PRO  47          2HB       PRO  47  15.922   8.767  -0.351
  353   1HG   PRO  47          1HG       PRO  47  16.787   7.227   2.006
  354   2HG   PRO  47          2HG       PRO  47  16.246   8.911   1.901
  355   1HD   PRO  47          2HD       PRO  47  14.758   6.665   2.856
  356   2HD   PRO  47          1HD       PRO  47  14.181   8.326   2.641
  357    H    GLY  48           H        GLY  48  15.077   6.005  -2.499
  358   1HA   GLY  48          1HA       GLY  48  15.715   4.006  -3.417
  359   2HA   GLY  48          2HA       GLY  48  16.260   3.529  -1.800
  360    H    VAL  49           H        VAL  49  13.151   4.575  -1.568
  361    HA   VAL  49           HA       VAL  49  11.977   1.926  -2.030
  362    HB   VAL  49           HB       VAL  49  11.573   3.619   0.417
  363   1HG1  VAL  49          3HG1      VAL  49   9.497   2.606  -0.245
  364   2HG1  VAL  49          1HG1      VAL  49  10.283   1.023  -0.380
  365   3HG1  VAL  49          2HG1      VAL  49  10.150   1.814   1.200
  366   1HG2  VAL  49          1HG2      VAL  49  13.718   2.393   0.402
  367   2HG2  VAL  49          2HG2      VAL  49  12.590   1.691   1.574
  368   3HG2  VAL  49          3HG2      VAL  49  12.858   0.893   0.015
  369    H    ASN  50           H        ASN  50   9.996   1.967  -2.929
  370    HA   ASN  50           HA       ASN  50   8.999   4.486  -3.946
  371   1HB   ASN  50          1HB       ASN  50   7.798   1.755  -4.441
  372   2HB   ASN  50          2HB       ASN  50   7.650   3.218  -5.431
  373   1HD2  ASN  50          2HD2      ASN  50   9.934   1.467  -7.411
  374   2HD2  ASN  50          1HD2      ASN  50   8.335   1.723  -7.118
  375    H    LEU  51           H        LEU  51   7.214   5.437  -3.177
  376    HA   LEU  51           HA       LEU  51   5.224   4.014  -1.630
  377   1HB   LEU  51          1HB       LEU  51   7.098   4.695  -0.107
  378   2HB   LEU  51          2HB       LEU  51   6.496   6.348  -0.323
  379    HG   LEU  51           HG       LEU  51   4.549   4.246   0.499
  380   1HD1  LEU  51          3HD1      LEU  51   6.403   3.660   1.874
  381   2HD1  LEU  51          1HD1      LEU  51   6.592   5.342   2.396
  382   3HD1  LEU  51          2HD1      LEU  51   5.134   4.437   2.835
  383   1HD2  LEU  51          1HD2      LEU  51   3.822   6.573   0.098
  384   2HD2  LEU  51          2HD2      LEU  51   3.634   6.130   1.804
  385   3HD2  LEU  51          3HD2      LEU  51   4.995   7.144   1.296
  386    H    ASN  52           H        ASN  52   3.267   4.918  -1.888
  387    HA   ASN  52           HA       ASN  52   3.019   7.603  -3.006
  388   1HB   ASN  52          1HB       ASN  52   2.870   5.728  -4.784
  389   2HB   ASN  52          2HB       ASN  52   1.318   5.330  -4.029
  390   1HD2  ASN  52          2HD2      ASN  52   1.581   8.171  -6.736
  391   2HD2  ASN  52          1HD2      ASN  52   2.682   6.981  -6.457
  392    H    CYS  53           H        CYS  53   1.293   8.682  -2.203
  393    HA   CYS  53           HA       CYS  53  -0.417   7.328  -0.242
  394   1HB   CYS  53          1HB       CYS  53   0.557  10.137  -0.405
  395   2HB   CYS  53          2HB       CYS  53  -0.880   9.692   0.531
  396    H    CYS  54           H        CYS  54  -2.615   7.597  -0.396
  397    HA   CYS  54           HA       CYS  54  -3.838   9.262  -2.388
  398   1HB   CYS  54          1HB       CYS  54  -5.129   7.203  -3.268
  399   2HB   CYS  54          2HB       CYS  54  -3.512   7.543  -3.908
  400    NH1  ARG  55           NH2      ARG  55  -6.892  15.551   0.657
  401    NH2  ARG  55           NH1      ARG  55  -4.968  15.364   1.938
  402    H    ARG  55           H        ARG  55  -6.153   9.237  -2.193
  403    HA   ARG  55           HA       ARG  55  -7.030   8.508   0.510
  404   1HB   ARG  55          1HB       ARG  55  -8.113  10.761  -1.208
  405   2HB   ARG  55          2HB       ARG  55  -8.523  10.409   0.479
  406   1HG   ARG  55          1HG       ARG  55  -6.164  10.853   1.117
  407   2HG   ARG  55          2HG       ARG  55  -5.805  11.270  -0.568
  408   1HD   ARG  55          1HD       ARG  55  -7.241  13.183  -0.494
  409   2HD   ARG  55          2HD       ARG  55  -7.948  12.677   1.049
  410    HE   ARG  55           HE       ARG  55  -5.314  12.954   1.620
  411   1HH1  ARG  55          1HH2      ARG  55  -7.595  15.135   0.171
  412   2HH1  ARG  55          2HH2      ARG  55  -6.852  16.498   0.717
  413   1HH2  ARG  55          1HH1      ARG  55  -4.308  14.827   2.360
  414   2HH2  ARG  55          2HH1      ARG  55  -4.922  16.311   2.002
  415    H    THR  56           H        THR  56  -7.195   7.303  -2.357
  416    HA   THR  56           HA       THR  56 -10.086   6.847  -2.474
  417    HB   THR  56           HB       THR  56  -9.249   5.714  -4.734
  418    HG1  THR  56           HG1      THR  56  -7.179   6.739  -5.410
  419   1HG2  THR  56          3HG2      THR  56 -10.423   8.015  -4.628
  420   2HG2  THR  56          1HG2      THR  56  -8.832   8.740  -4.339
  421   3HG2  THR  56          2HG2      THR  56  -9.172   7.934  -5.880
  422    H    ASP  57           H        ASP  57 -10.988   4.912  -2.324
  423    HA   ASP  57           HA       ASP  57  -9.774   3.014  -0.628
  424   1HB   ASP  57          1HB       ASP  57 -12.315   3.083  -2.235
  425   2HB   ASP  57          2HB       ASP  57 -11.781   1.573  -1.474
  426    NH1  ARG  58           NH2      ARG  58 -12.564  -4.791  -4.612
  427    NH2  ARG  58           NH1      ARG  58 -14.094  -3.050  -4.615
  428    H    ARG  58           H        ARG  58  -9.040   0.967  -1.112
  429    HA   ARG  58           HA       ARG  58  -7.821  -0.597  -2.260
  430   1HB   ARG  58          1HB       ARG  58 -10.239  -0.083  -3.911
  431   2HB   ARG  58          2HB       ARG  58  -8.911  -0.994  -4.651
  432   1HG   ARG  58          1HG       ARG  58  -8.947  -2.422  -2.503
  433   2HG   ARG  58          2HG       ARG  58 -10.524  -1.678  -2.190
  434   1HD   ARG  58          1HD       ARG  58  -9.955  -2.950  -4.862
  435   2HD   ARG  58          2HD       ARG  58 -10.417  -3.955  -3.477
  436    HE   ARG  58           HE       ARG  58 -12.141  -1.689  -4.017
  437   1HH1  ARG  58          1HH2      ARG  58 -11.673  -5.095  -4.492
  438   2HH1  ARG  58          2HH2      ARG  58 -13.249  -5.407  -4.845
  439   1HH2  ARG  58          1HH1      ARG  58 -14.293  -2.128  -4.499
  440   2HH2  ARG  58          2HH1      ARG  58 -14.785  -3.658  -4.848
  441    H    CYS  59           H        CYS  59  -7.354   2.382  -2.668
  442    HA   CYS  59           HA       CYS  59  -6.389   2.770  -5.312
  443   1HB   CYS  59          1HB       CYS  59  -5.553   4.818  -4.642
  444   2HB   CYS  59          2HB       CYS  59  -7.098   4.594  -3.805
  445    H    ASN  60           H        ASN  60  -5.197   1.364  -2.407
  446    HA   ASN  60           HA       ASN  60  -2.445   1.263  -3.373
  447   1HB   ASN  60          1HB       ASN  60  -2.001   0.210  -1.122
  448   2HB   ASN  60          2HB       ASN  60  -2.609   1.873  -1.043
  449   1HD2  ASN  60          2HD2      ASN  60  -4.519   0.337   1.490
  450   2HD2  ASN  60          1HD2      ASN  60  -3.046   1.005   1.179
  451    H    ASN  61           H        ASN  61  -3.116  -0.200  -5.085
  452    HA   ASN  61           HA       ASN  61  -3.371  -2.984  -4.182
  453   1HB   ASN  61          1HB       ASN  61  -5.441  -2.472  -5.274
  454   2HB   ASN  61          2HB       ASN  61  -4.612  -1.617  -6.587
  455   1HD2  ASN  61          2HD2      ASN  61  -5.500  -5.441  -6.893
  456   2HD2  ASN  61          1HD2      ASN  61  -6.139  -4.376  -5.814
   
  Start of MODEL          19
 Raw file had 456 H/Q atoms
  Start of MODEL   19
    1   1H    LEU   1          2H        LEU   1 -14.695   2.893   4.879
    2   2H    LEU   1          3H        LEU   1 -13.841   3.573   5.895
    3   3H    LEU   1          1H        LEU   1 -14.615   4.382   4.910
    4    HA   LEU   1           HA       LEU   1 -13.317   3.601   3.037
    5   1HB   LEU   1          1HB       LEU   1 -12.607   5.561   4.710
    6   2HB   LEU   1          2HB       LEU   1 -11.267   4.444   5.023
    7    HG   LEU   1           HG       LEU   1 -11.660   4.791   2.183
    8   1HD1  LEU   1          3HD1      LEU   1 -12.543   7.010   2.816
    9   2HD1  LEU   1          1HD1      LEU   1 -11.102   7.301   3.804
   10   3HD1  LEU   1          2HD1      LEU   1 -10.954   7.152   2.046
   11   1HD2  LEU   1          1HD2      LEU   1  -9.697   3.832   3.129
   12   2HD2  LEU   1          2HD2      LEU   1  -9.299   5.304   2.227
   13   3HD2  LEU   1          3HD2      LEU   1  -9.340   5.334   3.998
   14    H    GLU   2           H        GLU   2 -12.861   1.737   2.347
   15    HA   GLU   2           HA       GLU   2 -11.492  -0.186   4.073
   16   1HB   GLU   2          1HB       GLU   2 -12.405  -1.920   2.777
   17   2HB   GLU   2          2HB       GLU   2 -13.725  -0.744   2.884
   18   1HG   GLU   2          1HG       GLU   2 -12.893   0.197   0.666
   19   2HG   GLU   2          2HG       GLU   2 -11.855  -1.236   0.554
   20    H    CYS   3           H        CYS   3  -9.486  -0.624   3.800
   21    HA   CYS   3           HA       CYS   3  -8.097   0.307   1.395
   22   1HB   CYS   3          1HB       CYS   3  -6.984  -0.348   4.095
   23   2HB   CYS   3          2HB       CYS   3  -6.051   0.149   2.673
   24    H    HIS   4           H        HIS   4  -6.270  -1.145   0.754
   25    HA   HIS   4           HA       HIS   4  -7.227  -3.776   0.244
   26   1HB   HIS   4          1HB       HIS   4  -5.066  -2.065  -0.695
   27   2HB   HIS   4          2HB       HIS   4  -4.522  -3.731  -0.428
   28    HD2  HIS   4           HD2      HIS   4  -5.694  -1.832  -3.319
   29    HE1  HIS   4           HE1      HIS   4  -7.515  -5.626  -3.875
   30    H    ASN   5           H        ASN   5  -5.847  -5.677   0.626
   31    HA   ASN   5           HA       ASN   5  -4.669  -5.630   3.313
   32   1HB   ASN   5          1HB       ASN   5  -7.044  -7.020   2.455
   33   2HB   ASN   5          2HB       ASN   5  -5.783  -8.202   2.841
   34   1HD2  ASN   5          2HD2      ASN   5  -7.326  -7.877   5.984
   35   2HD2  ASN   5          1HD2      ASN   5  -7.429  -8.654   4.536
   36    H    GLN   6           H        GLN   6  -5.013  -7.351   0.255
   37    HA   GLN   6           HA       GLN   6  -3.112  -9.306   0.443
   38   1HB   GLN   6          1HB       GLN   6  -2.769  -8.878  -2.069
   39   2HB   GLN   6          2HB       GLN   6  -4.340  -9.441  -1.472
   40   1HG   GLN   6          1HG       GLN   6  -5.386  -7.520  -2.061
   41   2HG   GLN   6          2HG       GLN   6  -4.040  -6.507  -1.512
   42   1HE2  GLN   6          2HE2      GLN   6  -4.659  -6.618  -5.268
   43   2HE2  GLN   6          1HE2      GLN   6  -5.714  -6.624  -4.005
   44    H    GLN   7           H        GLN   7  -0.929  -9.405   0.008
   45    HA   GLN   7           HA       GLN   7   0.548  -6.871  -0.058
   46   1HB   GLN   7          1HB       GLN   7   1.008  -9.252   1.686
   47   2HB   GLN   7          2HB       GLN   7   2.317  -8.131   1.273
   48   1HG   GLN   7          1HG       GLN   7   0.741  -6.261   2.049
   49   2HG   GLN   7          2HG       GLN   7  -0.255  -7.546   2.754
   50   1HE2  GLN   7          2HE2      GLN   7   1.500  -7.498   5.652
   51   2HE2  GLN   7          1HE2      GLN   7   0.069  -7.550   4.841
   52    H    SER   8           H        SER   8   2.624  -7.005  -1.038
   53    HA   SER   8           HA       SER   8   4.083  -7.524  -2.726
   54   1HB   SER   8          1HB       SER   8   3.350 -10.150  -1.566
   55   2HB   SER   8          2HB       SER   8   4.171 -10.132  -3.137
   56    HG   SER   8           HG       SER   8   5.701 -10.320  -1.339
   57    H    SER   9           H        SER   9   2.313 -10.351  -3.527
   58    HA   SER   9           HA       SER   9   0.889  -9.017  -5.701
   59   1HB   SER   9          1HB       SER   9   3.205 -10.597  -6.058
   60   2HB   SER   9          2HB       SER   9   1.835 -11.607  -6.551
   61    HG   SER   9           HG       SER   9   2.728 -10.375  -8.367
   62    H    GLN  10           H        GLN  10  -0.200  -9.803  -3.320
   63    HA   GLN  10           HA       GLN  10  -1.400 -12.385  -3.469
   64   1HB   GLN  10          1HB       GLN  10  -1.287 -10.254  -1.545
   65   2HB   GLN  10          2HB       GLN  10  -2.937 -10.873  -1.732
   66   1HG   GLN  10          1HG       GLN  10  -2.424 -12.828  -0.734
   67   2HG   GLN  10          2HG       GLN  10  -0.934 -13.006  -1.676
   68   1HE2  GLN  10          2HE2      GLN  10  -0.908 -11.878   2.143
   69   2HE2  GLN  10          1HE2      GLN  10  -2.233 -12.416   1.329
   70    HA   PRO  11           HA       PRO  11  -5.064 -11.431  -5.650
   71   1HB   PRO  11          1HB       PRO  11  -7.097 -12.469  -4.069
   72   2HB   PRO  11          2HB       PRO  11  -6.040 -13.443  -5.105
   73   1HG   PRO  11          1HG       PRO  11  -6.063 -13.191  -2.171
   74   2HG   PRO  11          2HG       PRO  11  -5.331 -14.447  -3.184
   75   1HD   PRO  11          2HD       PRO  11  -3.999 -12.295  -1.854
   76   2HD   PRO  11          1HD       PRO  11  -3.286 -13.481  -2.960
   77    HA   PRO  12           HA       PRO  12  -7.096  -7.840  -4.359
   78   1HB   PRO  12          1HB       PRO  12  -9.645  -8.117  -5.424
   79   2HB   PRO  12          2HB       PRO  12  -8.214  -7.654  -6.361
   80   1HG   PRO  12          1HG       PRO  12  -9.683 -10.206  -6.335
   81   2HG   PRO  12          2HG       PRO  12  -8.546  -9.576  -7.540
   82   1HD   PRO  12          2HD       PRO  12  -8.046 -11.576  -5.558
   83   2HD   PRO  12          1HD       PRO  12  -6.879 -10.863  -6.685
   84    H    THR  13           H        THR  13  -7.312  -7.659  -2.275
   85    HA   THR  13           HA       THR  13  -9.815  -8.464  -1.025
   86    HB   THR  13           HB       THR  13  -8.466  -9.320   0.943
   87    HG1  THR  13           HG1      THR  13  -6.154  -9.963   0.219
   88   1HG2  THR  13          3HG2      THR  13  -9.488 -10.923  -0.630
   89   2HG2  THR  13          1HG2      THR  13  -8.051 -10.827  -1.662
   90   3HG2  THR  13          2HG2      THR  13  -7.928 -11.514  -0.034
   91    H    THR  14           H        THR  14 -10.576  -7.121   0.415
   92    HA   THR  14           HA       THR  14  -8.931  -4.872   1.314
   93    HB   THR  14           HB       THR  14 -11.744  -4.274   0.608
   94    HG1  THR  14           HG1      THR  14 -10.989  -4.110  -1.776
   95   1HG2  THR  14          1HG2      THR  14  -9.125  -2.890  -0.066
   96   2HG2  THR  14          2HG2      THR  14 -10.747  -2.235  -0.346
   97   3HG2  THR  14          3HG2      THR  14 -10.173  -2.504   1.309
   98    H    LYS  15           H        LYS  15 -10.140  -3.598   2.983
   99    HA   LYS  15           HA       LYS  15 -12.092  -4.808   4.604
  100   1HB   LYS  15          1HB       LYS  15 -10.816  -5.642   6.421
  101   2HB   LYS  15          2HB       LYS  15 -10.050  -6.319   4.973
  102   1HG   LYS  15          1HG       LYS  15  -8.103  -5.372   5.547
  103   2HG   LYS  15          2HG       LYS  15  -8.860  -3.770   5.514
  104   1HD   LYS  15          1HD       LYS  15  -9.771  -4.465   7.878
  105   2HD   LYS  15          2HD       LYS  15  -8.436  -5.629   7.839
  106   1HE   LYS  15          1HE       LYS  15  -6.805  -3.893   7.640
  107   2HE   LYS  15          2HE       LYS  15  -8.046  -2.672   7.304
  108   1HZ   LYS  15          1HZ       LYS  15  -7.746  -4.028   9.880
  109   2HZ   LYS  15          2HZ       LYS  15  -7.351  -2.612   9.634
  110   3HZ   LYS  15          3HZ       LYS  15  -8.790  -3.002   9.598
  111    H    THR  16           H        THR  16 -12.594  -3.613   6.444
  112    HA   THR  16           HA       THR  16 -12.499  -0.842   6.018
  113    HB   THR  16           HB       THR  16 -13.527  -2.599   8.227
  114    HG1  THR  16           HG1      THR  16 -15.542  -1.671   7.299
  115   1HG2  THR  16          3HG2      THR  16 -12.841  -0.302   9.192
  116   2HG2  THR  16          1HG2      THR  16 -13.809   0.451   7.915
  117   3HG2  THR  16          2HG2      THR  16 -14.596  -0.540   9.154
  118    H    CYS  17           H        CYS  17 -11.190   0.681   6.804
  119    HA   CYS  17           HA       CYS  17  -8.805  -0.137   8.250
  120   1HB   CYS  17          1HB       CYS  17  -9.499   2.093   6.436
  121   2HB   CYS  17          2HB       CYS  17  -8.425   2.502   7.786
  122    H    SER  18           H        SER  18  -8.042   1.628   9.829
  123    HA   SER  18           HA       SER  18 -10.028   1.772  11.905
  124   1HB   SER  18          1HB       SER  18  -7.572   1.160  12.228
  125   2HB   SER  18          2HB       SER  18  -7.260   2.900  12.100
  126    HG   SER  18           HG       SER  18  -7.474   2.203  14.353
  127    H    GLY  19           H        GLY  19  -8.776   4.174  13.029
  128   1HA   GLY  19          1HA       GLY  19 -10.563   6.124  12.059
  129   2HA   GLY  19          2HA       GLY  19  -9.262   6.400  13.231
  130    H    GLU  20           H        GLU  20  -9.451   5.496   9.807
  131    HA   GLU  20           HA       GLU  20  -7.807   7.796   9.097
  132   1HB   GLU  20          1HB       GLU  20  -6.810   5.152   9.187
  133   2HB   GLU  20          2HB       GLU  20  -7.082   5.516   7.474
  134   1HG   GLU  20          1HG       GLU  20  -5.555   7.318   9.378
  135   2HG   GLU  20          2HG       GLU  20  -4.793   6.140   8.295
  136    H    THR  21           H        THR  21  -7.882   8.343   6.877
  137    HA   THR  21           HA       THR  21 -10.209   7.333   5.422
  138    HB   THR  21           HB       THR  21 -11.198   9.195   6.344
  139    HG1  THR  21           HG1      THR  21 -11.159  10.806   4.560
  140   1HG2  THR  21          3HG2      THR  21  -9.046  10.189   7.371
  141   2HG2  THR  21          1HG2      THR  21  -8.617  10.766   5.752
  142   3HG2  THR  21          2HG2      THR  21 -10.055  11.404   6.567
  143    H    ASN  22           H        ASN  22  -7.162   7.237   5.282
  144    HA   ASN  22           HA       ASN  22  -6.970   7.758   2.424
  145   1HB   ASN  22          1HB       ASN  22  -4.843   8.607   4.417
  146   2HB   ASN  22          2HB       ASN  22  -4.760   8.767   2.654
  147   1HD2  ASN  22          2HD2      ASN  22  -7.315  11.102   4.853
  148   2HD2  ASN  22          1HD2      ASN  22  -6.887   9.594   5.355
  149    H    CYS  23           H        CYS  23  -5.488   6.399   1.404
  150    HA   CYS  23           HA       CYS  23  -4.140   4.357   2.996
  151   1HB   CYS  23          1HB       CYS  23  -5.625   3.675   0.463
  152   2HB   CYS  23          2HB       CYS  23  -4.911   2.572   1.652
  153    OH   TYR  24           OH       TYR  24   2.954   2.083   5.130
  154    H    TYR  24           H        TYR  24  -2.240   3.680   2.187
  155    HA   TYR  24           HA       TYR  24  -1.287   4.884  -0.306
  156   1HB   TYR  24          1HB       TYR  24   0.624   5.716   0.822
  157   2HB   TYR  24          2HB       TYR  24  -0.636   5.932   2.050
  158    HD1  TYR  24           HD2      TYR  24  -0.786   4.349   3.960
  159    HD2  TYR  24           HD1      TYR  24   2.441   4.209   1.166
  160    HE1  TYR  24           HE2      TYR  24   0.571   2.951   5.586
  161    HE2  TYR  24           HE1      TYR  24   3.787   2.814   2.804
  162    HH   TYR  24           HH       TYR  24   2.374   1.917   6.031
  163    H    LYS  25           H        LYS  25   0.597   3.813  -1.175
  164    HA   LYS  25           HA       LYS  25   0.806   0.980  -0.428
  165   1HB   LYS  25          1HB       LYS  25   1.347   0.704  -2.936
  166   2HB   LYS  25          2HB       LYS  25  -0.321   0.749  -2.340
  167   1HG   LYS  25          1HG       LYS  25  -0.733   2.831  -3.235
  168   2HG   LYS  25          2HG       LYS  25   0.960   3.339  -3.109
  169   1HD   LYS  25          1HD       LYS  25   1.053   2.970  -5.334
  170   2HD   LYS  25          2HD       LYS  25   1.098   1.251  -4.907
  171   1HE   LYS  25          1HE       LYS  25  -1.530   2.698  -5.224
  172   2HE   LYS  25          2HE       LYS  25  -0.672   2.052  -6.633
  173   1HZ   LYS  25          1HZ       LYS  25  -1.519   0.426  -4.353
  174   2HZ   LYS  25          2HZ       LYS  25  -2.187   0.403  -5.687
  175   3HZ   LYS  25          3HZ       LYS  25  -0.798  -0.117  -5.539
  176    H    LYS  26           H        LYS  26   2.874   0.031  -0.965
  177    HA   LYS  26           HA       LYS  26   5.133   1.778  -1.447
  178   1HB   LYS  26          1HB       LYS  26   6.265   0.819   0.630
  179   2HB   LYS  26          2HB       LYS  26   5.169   2.207   0.757
  180   1HG   LYS  26          1HG       LYS  26   3.581   1.023   1.894
  181   2HG   LYS  26          2HG       LYS  26   3.924  -0.479   1.019
  182   1HD   LYS  26          1HD       LYS  26   4.596  -0.806   3.304
  183   2HD   LYS  26          2HD       LYS  26   6.070  -0.653   2.333
  184   1HE   LYS  26          1HE       LYS  26   6.111   1.799   2.962
  185   2HE   LYS  26          2HE       LYS  26   4.797   1.457   4.101
  186   1HZ   LYS  26          3HZ       LYS  26   6.329  -0.094   5.183
  187   2HZ   LYS  26          1HZ       LYS  26   7.434   0.195   4.225
  188   3HZ   LYS  26          2HZ       LYS  26   6.972   1.252   5.169
  189    CH2  TRP  27           CH2      TRP  27   4.179   3.117  -5.746
  190    H    TRP  27           H        TRP  27   6.718   0.705  -2.463
  191    HA   TRP  27           HA       TRP  27   6.922  -2.190  -2.392
  192   1HB   TRP  27          1HB       TRP  27   6.848  -2.458  -4.774
  193   2HB   TRP  27          2HB       TRP  27   5.309  -1.879  -4.113
  194    HD1  TRP  27           HD1      TRP  27   7.882  -1.013  -6.712
  195    HE1  TRP  27           HE1      TRP  27   7.268   1.192  -7.852
  196    HE3  TRP  27           HE3      TRP  27   4.218   0.469  -3.528
  197    HZ2  TRP  27           HZ2      TRP  27   5.459   3.338  -7.492
  198    HZ3  TRP  27           HZ3      TRP  27   3.080   2.635  -3.994
  199    HH2  TRP  27           HH2      TRP  27   3.646   4.049  -5.897
  200    CH2  TRP  28           CH2      TRP  28   9.411  -4.481   1.847
  201    H    TRP  28           H        TRP  28   8.935  -2.870  -3.378
  202    HA   TRP  28           HA       TRP  28  10.935  -0.956  -4.144
  203   1HB   TRP  28          1HB       TRP  28  12.400  -1.102  -2.389
  204   2HB   TRP  28          2HB       TRP  28  10.817  -0.795  -1.654
  205    HD1  TRP  28           HD1      TRP  28  13.448  -3.600  -1.977
  206    HE1  TRP  28           HE1      TRP  28  13.002  -5.345  -0.164
  207    HE3  TRP  28           HE3      TRP  28   9.068  -1.731  -0.215
  208    HZ2  TRP  28           HZ2      TRP  28  11.051  -5.912   1.807
  209    HZ3  TRP  28           HZ3      TRP  28   7.959  -2.943   1.656
  210    HH2  TRP  28           HH2      TRP  28   8.880  -4.966   2.661
  211    H    SER  29           H        SER  29  12.577  -1.981  -5.214
  212    HA   SER  29           HA       SER  29  12.148  -4.742  -5.954
  213   1HB   SER  29          1HB       SER  29  14.063  -4.295  -7.545
  214   2HB   SER  29          2HB       SER  29  12.620  -3.299  -7.799
  215    HG   SER  29           HG       SER  29  14.612  -2.033  -7.977
  216    H    ASP  30           H        ASP  30  13.814  -6.290  -5.922
  217    HA   ASP  30           HA       ASP  30  15.783  -5.907  -3.773
  218   1HB   ASP  30          1HB       ASP  30  15.105  -8.679  -4.294
  219   2HB   ASP  30          2HB       ASP  30  15.115  -7.786  -2.763
  220    H    HIS  31           H        HIS  31  17.134  -8.252  -4.105
  221    HA   HIS  31           HA       HIS  31  19.015  -7.740  -6.048
  222   1HB   HIS  31          1HB       HIS  31  18.520  -9.832  -4.164
  223   2HB   HIS  31          2HB       HIS  31  19.170 -10.454  -5.691
  224    HD2  HIS  31           HD2      HIS  31  21.772 -10.870  -4.864
  225    HE1  HIS  31           HE1      HIS  31  22.563  -6.899  -3.584
  226    NH1  ARG  32           NH2      ARG  32  15.201 -12.934 -11.600
  227    NH2  ARG  32           NH1      ARG  32  15.820 -11.675 -13.446
  228    H    ARG  32           H        ARG  32  16.635 -10.369  -6.129
  229    HA   ARG  32           HA       ARG  32  16.295  -9.974  -9.004
  230   1HB   ARG  32          1HB       ARG  32  17.243 -12.434  -7.600
  231   2HB   ARG  32          2HB       ARG  32  16.092 -12.642  -8.932
  232   1HG   ARG  32          1HG       ARG  32  17.909 -10.814  -9.951
  233   2HG   ARG  32          2HG       ARG  32  18.930 -11.907  -9.002
  234   1HD   ARG  32          1HD       ARG  32  18.880 -13.275 -10.796
  235   2HD   ARG  32          2HD       ARG  32  17.207 -13.634 -10.335
  236    HE   ARG  32           HE       ARG  32  18.046 -11.746 -12.410
  237   1HH1  ARG  32          1HH2      ARG  32  15.437 -13.364 -10.787
  238   2HH1  ARG  32          2HH2      ARG  32  14.304 -12.968 -11.912
  239   1HH2  ARG  32          1HH1      ARG  32  16.486 -11.214 -13.942
  240   2HH2  ARG  32          2HH1      ARG  32  14.926 -11.706 -13.764
  241    H    GLY  33           H        GLY  33  14.533  -8.978  -7.316
  242   1HA   GLY  33          1HA       GLY  33  12.115 -10.276  -7.994
  243   2HA   GLY  33          2HA       GLY  33  12.483 -10.474  -6.273
  244    H    THR  34           H        THR  34  10.371  -9.244  -6.277
  245    HA   THR  34           HA       THR  34  10.893  -6.478  -5.662
  246    HB   THR  34           HB       THR  34   9.064  -7.342  -7.947
  247    HG1  THR  34           HG1      THR  34  10.494  -5.778  -9.082
  248   1HG2  THR  34          1HG2      THR  34   9.533  -4.544  -6.751
  249   2HG2  THR  34          2HG2      THR  34   8.498  -4.916  -8.140
  250   3HG2  THR  34          3HG2      THR  34   8.030  -5.453  -6.517
  251    H    ILE  35           H        ILE  35  10.044  -6.107  -3.835
  252    HA   ILE  35           HA       ILE  35   7.805  -7.712  -2.877
  253    HB   ILE  35           HB       ILE  35   9.757  -6.024  -1.370
  254   1HG1  ILE  35          1HG1      ILE  35  10.590  -8.200  -2.278
  255   2HG1  ILE  35          2HG1      ILE  35  10.530  -8.153  -0.507
  256   1HG2  ILE  35          1HG2      ILE  35   7.403  -7.569  -0.345
  257   2HG2  ILE  35          2HG2      ILE  35   8.689  -6.845   0.635
  258   3HG2  ILE  35          3HG2      ILE  35   7.625  -5.811  -0.333
  259   1HD1  ILE  35          1HD1      ILE  35   8.441  -9.419  -2.318
  260   2HD1  ILE  35          2HD1      ILE  35   9.654 -10.293  -1.367
  261   3HD1  ILE  35          3HD1      ILE  35   8.381  -9.372  -0.548
  262    H    ILE  36           H        ILE  36   5.882  -6.815  -2.395
  263    HA   ILE  36           HA       ILE  36   5.527  -3.920  -2.616
  264    HB   ILE  36           HB       ILE  36   3.626  -5.954  -3.822
  265   1HG1  ILE  36          1HG1      ILE  36   4.750  -4.357  -5.850
  266   2HG1  ILE  36          2HG1      ILE  36   6.118  -4.903  -4.865
  267   1HG2  ILE  36          3HG2      ILE  36   2.523  -3.967  -3.106
  268   2HG2  ILE  36          1HG2      ILE  36   3.676  -2.963  -4.001
  269   3HG2  ILE  36          2HG2      ILE  36   2.580  -4.046  -4.876
  270   1HD1  ILE  36          3HD1      ILE  36   5.352  -7.240  -5.096
  271   2HD1  ILE  36          1HD1      ILE  36   3.985  -6.695  -6.081
  272   3HD1  ILE  36          2HD1      ILE  36   5.641  -6.503  -6.681
  273    H    GLU  37           H        GLU  37   3.895  -3.038  -1.443
  274    HA   GLU  37           HA       GLU  37   2.430  -4.675   0.439
  275   1HB   GLU  37          1HB       GLU  37   4.881  -3.814   1.242
  276   2HB   GLU  37          2HB       GLU  37   3.810  -2.540   1.853
  277   1HG   GLU  37          1HG       GLU  37   3.133  -5.454   2.245
  278   2HG   GLU  37          2HG       GLU  37   4.240  -4.619   3.350
  279    NH1  ARG  38           NH2      ARG  38   1.781  -1.502  -3.480
  280    NH2  ARG  38           NH1      ARG  38   0.906  -2.100  -5.543
  281    H    ARG  38           H        ARG  38   0.750  -3.538   1.450
  282    HA   ARG  38           HA       ARG  38   0.243  -0.779   0.713
  283   1HB   ARG  38          1HB       ARG  38  -1.554  -3.097  -0.046
  284   2HB   ARG  38          2HB       ARG  38  -2.121  -1.420   0.036
  285   1HG   ARG  38          1HG       ARG  38  -1.515  -1.404  -2.160
  286   2HG   ARG  38          2HG       ARG  38   0.094  -1.089  -1.487
  287   1HD   ARG  38          1HD       ARG  38   0.765  -3.346  -1.744
  288   2HD   ARG  38          2HD       ARG  38  -0.902  -3.905  -1.962
  289    HE   ARG  38           HE       ARG  38  -0.683  -3.395  -4.192
  290   1HH1  ARG  38          1HH2      ARG  38   1.754  -1.561  -2.532
  291   2HH1  ARG  38          2HH2      ARG  38   2.443  -0.968  -3.904
  292   1HH2  ARG  38          1HH1      ARG  38   0.268  -2.578  -6.059
  293   2HH2  ARG  38          2HH1      ARG  38   1.565  -1.569  -5.975
  294    H    GLY  39           H        GLY  39  -1.242   0.240   2.030
  295   1HA   GLY  39          1HA       GLY  39  -2.783  -1.005   4.032
  296   2HA   GLY  39          2HA       GLY  39  -1.264  -0.393   4.710
  297    H    CYS  40           H        CYS  40  -3.121   0.807   5.867
  298    HA   CYS  40           HA       CYS  40  -4.163   3.113   4.452
  299   1HB   CYS  40          1HB       CYS  40  -4.877   1.697   6.853
  300   2HB   CYS  40          2HB       CYS  40  -4.803   3.452   7.092
  301    H    GLY  41           H        GLY  41  -3.935   5.206   5.785
  302   1HA   GLY  41          1HA       GLY  41  -2.671   6.761   6.980
  303   2HA   GLY  41          2HA       GLY  41  -1.397   5.539   7.134
  304    H    CYS  42           H        CYS  42  -0.137   7.519   6.535
  305    HA   CYS  42           HA       CYS  42   0.647   7.361   3.795
  306   1HB   CYS  42          1HB       CYS  42  -1.205   8.966   3.614
  307   2HB   CYS  42          2HB       CYS  42  -0.442   9.979   4.852
  308    HA   PRO  43           HA       PRO  43   4.021   8.128   6.671
  309   1HB   PRO  43          1HB       PRO  43   5.687   6.213   5.544
  310   2HB   PRO  43          2HB       PRO  43   4.581   5.906   6.895
  311   1HG   PRO  43          1HG       PRO  43   4.369   5.069   4.079
  312   2HG   PRO  43          2HG       PRO  43   3.533   4.433   5.507
  313   1HD   PRO  43          2HD       PRO  43   2.468   6.170   3.502
  314   2HD   PRO  43          1HD       PRO  43   1.672   5.628   4.988
  315    H    LYS  44           H        LYS  44   6.435   8.390   6.045
  316    HA   LYS  44           HA       LYS  44   6.496  10.407   3.988
  317   1HB   LYS  44          1HB       LYS  44   8.603  11.042   4.811
  318   2HB   LYS  44          2HB       LYS  44   7.482  10.826   6.165
  319   1HG   LYS  44          1HG       LYS  44   8.469   8.733   6.767
  320   2HG   LYS  44          2HG       LYS  44   9.399   8.663   5.260
  321   1HD   LYS  44          1HD       LYS  44  10.194  11.074   6.362
  322   2HD   LYS  44          2HD       LYS  44  10.010  10.033   7.784
  323   1HE   LYS  44          1HE       LYS  44  11.313   8.465   5.821
  324   2HE   LYS  44          2HE       LYS  44  12.109  10.048   5.799
  325   1HZ   LYS  44          3HZ       LYS  44  12.429   9.764   8.195
  326   2HZ   LYS  44          1HZ       LYS  44  11.758   8.431   8.213
  327   3HZ   LYS  44          2HZ       LYS  44  13.059   8.601   7.507
  328    H    VAL  45           H        VAL  45   7.426  10.182   2.050
  329    HA   VAL  45           HA       VAL  45   8.126   7.576   1.081
  330    HB   VAL  45           HB       VAL  45   6.782   8.999  -0.288
  331   1HG1  VAL  45          3HG1      VAL  45   7.657  11.195   0.425
  332   2HG1  VAL  45          1HG1      VAL  45   9.199  10.839  -0.370
  333   3HG1  VAL  45          2HG1      VAL  45   7.727  11.024  -1.336
  334   1HG2  VAL  45          1HG2      VAL  45   8.151   7.346  -1.366
  335   2HG2  VAL  45          2HG2      VAL  45   8.012   8.798  -2.372
  336   3HG2  VAL  45          3HG2      VAL  45   9.501   8.490  -1.464
  337    H    LYS  46           H        LYS  46  10.069   6.811   1.525
  338    HA   LYS  46           HA       LYS  46  12.369   8.550   1.878
  339   1HB   LYS  46          1HB       LYS  46  12.956   7.187   3.434
  340   2HB   LYS  46          2HB       LYS  46  11.544   6.170   3.095
  341   1HG   LYS  46          1HG       LYS  46  12.892   5.070   1.263
  342   2HG   LYS  46          2HG       LYS  46  14.302   5.964   1.852
  343   1HD   LYS  46          1HD       LYS  46  13.493   4.894   4.179
  344   2HD   LYS  46          2HD       LYS  46  12.850   3.664   3.078
  345   1HE   LYS  46          1HE       LYS  46  15.512   4.338   2.243
  346   2HE   LYS  46          2HE       LYS  46  15.534   3.987   3.980
  347   1HZ   LYS  46          1HZ       LYS  46  14.433   2.173   1.964
  348   2HZ   LYS  46          2HZ       LYS  46  15.732   1.952   2.663
  349   3HZ   LYS  46          3HZ       LYS  46  14.453   1.878   3.425
  350    HA   PRO  47           HA       PRO  47  13.955   7.660  -2.067
  351   1HB   PRO  47          1HB       PRO  47  16.675   7.965  -1.583
  352   2HB   PRO  47          2HB       PRO  47  15.533   9.291  -1.862
  353   1HG   PRO  47          1HG       PRO  47  16.813   8.423   0.645
  354   2HG   PRO  47          2HG       PRO  47  16.028   9.965   0.260
  355   1HD   PRO  47          2HD       PRO  47  14.966   7.818   1.821
  356   2HD   PRO  47          1HD       PRO  47  14.139   9.309   1.338
  357    H    GLY  48           H        GLY  48  14.640   5.958  -3.242
  358   1HA   GLY  48          1HA       GLY  48  15.814   3.986  -3.743
  359   2HA   GLY  48          2HA       GLY  48  16.132   3.790  -2.010
  360    H    VAL  49           H        VAL  49  13.102   4.569  -1.860
  361    HA   VAL  49           HA       VAL  49  12.010   1.905  -2.437
  362    HB   VAL  49           HB       VAL  49  11.548   3.498   0.067
  363   1HG1  VAL  49          3HG1      VAL  49   9.518   2.413  -0.627
  364   2HG1  VAL  49          1HG1      VAL  49  10.374   0.873  -0.814
  365   3HG1  VAL  49          2HG1      VAL  49  10.208   1.605   0.790
  366   1HG2  VAL  49          1HG2      VAL  49  13.745   2.370   0.009
  367   2HG2  VAL  49          2HG2      VAL  49  12.653   1.580   1.158
  368   3HG2  VAL  49          3HG2      VAL  49  12.953   0.847  -0.426
  369    H    ASN  50           H        ASN  50   9.894   1.889  -3.113
  370    HA   ASN  50           HA       ASN  50   8.874   4.371  -4.204
  371   1HB   ASN  50          1HB       ASN  50   7.569   1.663  -4.492
  372   2HB   ASN  50          2HB       ASN  50   7.461   3.066  -5.570
  373   1HD2  ASN  50          2HD2      ASN  50   9.869   1.895  -7.641
  374   2HD2  ASN  50          1HD2      ASN  50   8.439   2.668  -7.389
  375    H    LEU  51           H        LEU  51   7.119   5.369  -3.409
  376    HA   LEU  51           HA       LEU  51   5.232   4.053  -1.652
  377   1HB   LEU  51          1HB       LEU  51   7.174   4.804  -0.277
  378   2HB   LEU  51          2HB       LEU  51   6.610   6.455  -0.589
  379    HG   LEU  51           HG       LEU  51   4.834   4.347   0.631
  380   1HD1  LEU  51          1HD1      LEU  51   6.663   6.202   2.110
  381   2HD1  LEU  51          2HD1      LEU  51   5.379   5.210   2.821
  382   3HD1  LEU  51          3HD1      LEU  51   6.760   4.435   2.027
  383   1HD2  LEU  51          1HD2      LEU  51   3.724   6.349  -0.300
  384   2HD2  LEU  51          2HD2      LEU  51   3.613   6.322   1.468
  385   3HD2  LEU  51          3HD2      LEU  51   4.782   7.386   0.670
  386    H    ASN  52           H        ASN  52   3.263   4.894  -1.927
  387    HA   ASN  52           HA       ASN  52   2.920   7.541  -3.103
  388   1HB   ASN  52          1HB       ASN  52   2.775   5.470  -4.770
  389   2HB   ASN  52          2HB       ASN  52   1.149   5.333  -4.077
  390   1HD2  ASN  52          2HD2      ASN  52   0.987   7.413  -7.076
  391   2HD2  ASN  52          1HD2      ASN  52   1.440   5.876  -6.703
  392    H    CYS  53           H        CYS  53   1.085   8.549  -2.398
  393    HA   CYS  53           HA       CYS  53  -0.584   7.150  -0.421
  394   1HB   CYS  53          1HB       CYS  53   0.334   9.991  -0.470
  395   2HB   CYS  53          2HB       CYS  53  -1.018   9.413   0.521
  396    H    CYS  54           H        CYS  54  -2.787   7.519  -0.542
  397    HA   CYS  54           HA       CYS  54  -3.933   9.229  -2.555
  398   1HB   CYS  54          1HB       CYS  54  -5.360   7.150  -3.290
  399   2HB   CYS  54          2HB       CYS  54  -3.802   7.503  -4.058
  400    NH1  ARG  55           NH2      ARG  55  -4.542  13.717   1.394
  401    NH2  ARG  55           NH1      ARG  55  -5.608  13.634   3.451
  402    H    ARG  55           H        ARG  55  -6.288   9.234  -2.383
  403    HA   ARG  55           HA       ARG  55  -7.158   8.709   0.371
  404   1HB   ARG  55          1HB       ARG  55  -8.296  10.872  -1.384
  405   2HB   ARG  55          2HB       ARG  55  -8.457  10.665   0.368
  406   1HG   ARG  55          1HG       ARG  55  -5.957  11.008   0.540
  407   2HG   ARG  55          2HG       ARG  55  -5.967  11.447  -1.178
  408   1HD   ARG  55          1HD       ARG  55  -6.321  13.558  -0.435
  409   2HD   ARG  55          2HD       ARG  55  -7.990  13.023  -0.169
  410    HE   ARG  55           HE       ARG  55  -7.540  12.913   2.119
  411   1HH1  ARG  55          1HH2      ARG  55  -4.574  13.602   0.452
  412   2HH1  ARG  55          2HH2      ARG  55  -3.737  14.002   1.810
  413   1HH2  ARG  55          1HH1      ARG  55  -6.385  13.463   3.970
  414   2HH2  ARG  55          2HH1      ARG  55  -4.807  13.919   3.876
  415    H    THR  56           H        THR  56  -7.367   7.184  -2.252
  416    HA   THR  56           HA       THR  56 -10.287   6.922  -2.420
  417    HB   THR  56           HB       THR  56  -9.554   5.616  -4.568
  418    HG1  THR  56           HG1      THR  56  -7.398   6.642  -5.337
  419   1HG2  THR  56          1HG2      THR  56  -9.168   8.626  -4.437
  420   2HG2  THR  56          2HG2      THR  56  -9.452   7.678  -5.907
  421   3HG2  THR  56          3HG2      THR  56 -10.713   7.791  -4.668
  422    H    ASP  57           H        ASP  57 -11.276   5.034  -2.169
  423    HA   ASP  57           HA       ASP  57 -10.226   3.222  -0.306
  424   1HB   ASP  57          1HB       ASP  57 -12.644   3.259  -2.076
  425   2HB   ASP  57          2HB       ASP  57 -12.192   1.754  -1.257
  426    NH1  ARG  58           NH2      ARG  58 -11.267  -4.930  -5.444
  427    NH2  ARG  58           NH1      ARG  58  -9.791  -4.559  -7.194
  428    H    ARG  58           H        ARG  58  -9.304   1.258  -0.576
  429    HA   ARG  58           HA       ARG  58  -7.926  -0.303  -1.536
  430   1HB   ARG  58          1HB       ARG  58 -10.314  -1.026  -2.172
  431   2HB   ARG  58          2HB       ARG  58  -9.967  -0.333  -3.765
  432   1HG   ARG  58          1HG       ARG  58  -8.078  -1.835  -4.058
  433   2HG   ARG  58          2HG       ARG  58  -8.279  -2.460  -2.412
  434   1HD   ARG  58          1HD       ARG  58  -9.711  -4.006  -3.182
  435   2HD   ARG  58          2HD       ARG  58 -10.788  -2.719  -3.750
  436    HE   ARG  58           HE       ARG  58  -8.691  -3.055  -5.593
  437   1HH1  ARG  58          1HH2      ARG  58 -11.535  -4.753  -4.550
  438   2HH1  ARG  58          2HH2      ARG  58 -11.768  -5.533  -5.981
  439   1HH2  ARG  58          1HH1      ARG  58  -9.021  -4.128  -7.545
  440   2HH2  ARG  58          2HH1      ARG  58 -10.287  -5.162  -7.735
  441    H    CYS  59           H        CYS  59  -7.496   2.482  -2.244
  442    HA   CYS  59           HA       CYS  59  -6.818   2.700  -4.999
  443   1HB   CYS  59          1HB       CYS  59  -5.805   4.758  -4.499
  444   2HB   CYS  59          2HB       CYS  59  -7.351   4.644  -3.642
  445    H    ASN  60           H        ASN  60  -5.336   1.474  -2.142
  446    HA   ASN  60           HA       ASN  60  -2.682   1.322  -3.314
  447   1HB   ASN  60          1HB       ASN  60  -2.148   0.174  -1.093
  448   2HB   ASN  60          2HB       ASN  60  -2.617   1.881  -0.996
  449   1HD2  ASN  60          2HD2      ASN  60  -4.471   0.484   1.667
  450   2HD2  ASN  60          1HD2      ASN  60  -2.967   1.014   1.261
  451    H    ASN  61           H        ASN  61  -3.274  -0.138  -4.990
  452    HA   ASN  61           HA       ASN  61  -3.596  -2.915  -4.107
  453   1HB   ASN  61          1HB       ASN  61  -4.952  -3.418  -5.994
  454   2HB   ASN  61          2HB       ASN  61  -5.624  -1.930  -5.306
  455   1HD2  ASN  61          2HD2      ASN  61  -4.450  -2.127  -9.081
  456   2HD2  ASN  61          1HD2      ASN  61  -4.670  -3.412  -8.076
   
   
  No H/Q in entry =         456