*HEADER    ANTIMICROBIAL PROTEIN                   01-AUG-15   2N5W              
*TITLE     THE NMR SOLUTION STRUCTURE OF OCTYL-TRIDECAPTIN A1 IN DPC MICELLES    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OCTYL-TRIDECAPTIN A1;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: FMOC-SPPS SYNTHESIS                                   
*KEYWDS    TRIDECAPTIN A1, LIPOPEPTIDE, ANTIMICROBIAL, ANTIBIOTIC, NON-          
*KEYWDS   2 RIBOSOMAL, ANTIMICROBIAL PROTEIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.A.COCHRANE, B.FINDLAY, A.BAKHTIARY, J.Z.ACEDO, E.M.RODRIGUEZ-LOPEZ, 
*AUTHOR   2 J.C.VEDERAS                                                          
*REVDAT   2   15-NOV-23 2N5W    1                                                
*REVDAT   1   28-SEP-16 2N5W    0                                                


label dataset sw sf
H-acq H-ind
OTA_NOESY.nv
7183.90820313 7183.90820313
599.927001953 599.927001953
H-acq.L H-acq.P H-acq.W H-acq.B H-acq.E H-acq.J H-acq.U H-ind.L H-ind.P H-ind.W H-ind.B H-ind.E H-ind.J H-ind.U vol int stat comment flag0
0 {} 10.52699 0.01398 0.06063 ++ {0.0} {} {} 7.41244 0.03776 0.09616 ++ {0.0} {} 0.0 1.3281 -1 {} 0
1 {} 10.52756 0.01347 0.02263 ++ {0.0} {} {} 7.02273 0.03436 0.04965 ++ {0.0} {} 0.0 0.1792 0 {} 0
2 {} 10.52699 0.01398 0.06906 ++ {0.0} {} {} 7.41244 0.03776 0.09830 ++ {0.0} {} 0.0 1.3281 0 {} 0
3 {} 8.67056 0.00788 0.01126 ++ {0.0} {} {} 8.42972 0.04470 0.04721 ++ {0.0} {} 0.0 0.2058 0 {} 0
4 {} 8.42581 0.00788 0.03265 ++ {0.0} {} {} 8.66675 0.04011 0.03386 ++ {0.0} {} 0.0 0.1681 0 {} 0
5 {} 8.67047 0.00788 0.03215 ++ {0.0} {} {} 7.85870 0.06536 0.07976 ++ {0.0} {} 0.0 0.1359 0 {} 0
6 {} 8.56497 0.02393 0.04989 ++ {0.0} {} {} 7.68854 0.03859 0.08217 ++ {0.0} {} 0.0 0.3142 0 {} 0
7 {} 8.55321 0.00788 0.03654 ++ {0.0} {} {} 7.85221 0.06008 0.05822 ++ {0.0} {} 0.0 0.0954 0 {} 0
8 {} 8.50129 0.00563 0.02868 ++ {0.0} {} {} 7.85884 0.06395 0.07160 ++ {0.0} {} 0.0 0.1176 0 {} 0
9 {} 8.56360 0.00788 0.01126 ++ {0.0} {} {} 8.24872 0.03965 0.04714 ++ {0.0} {} 0.0 0.1226 0 {} 0
10 {} 8.48428 0.02149 0.03070 ++ {0.0} {} {} 8.13405 0.06530 0.08532 ++ {0.0} {} 0.0 0.2404 0 {} 0
11 {} 8.13422 0.00563 0.03767 ++ {0.0} {} {} 8.48500 0.05096 0.09757 ++ {0.0} {} 0.0 0.3119 0 {} 0
12 {} 8.42660 0.00788 0.03323 ++ {0.0} {} {} 8.21478 0.12024 0.11976 ++ {0.0} {} 0.0 0.1925 0 {} 0
13 {} 8.46981 0.00512 0.00731 ++ {0.0} {} {} 8.23030 0.03126 0.02977 ++ {0.0} {} 0.0 0.1271 0 {} 0
14 {} 8.23944 0.01013 0.03868 ++ {0.0} {} {} 8.46325 0.16461 0.08313 ++ {0.0} {} 0.0 0.1350 0 {} 0
15 {} 8.24533 0.00434 0.00603 ++ {0.0} {} {} 8.55628 0.05607 0.03515 ++ {0.0} {} 0.0 0.1413 0 {} 0
16 {} 8.62876 0.00512 0.00731 ++ {0.0} {} {} 7.50412 0.03294 0.01576 ++ {0.0} {} 0.0 0.0817 0 {} 0
17 {} 8.49689 0.00716 0.03045 ++ {0.0} {} {} 7.50727 0.03272 0.03824 ++ {0.0} {} 0.0 0.1495 0 {} 0
18 {} 8.66920 0.00788 0.04386 ++ {0.0} {} {} 7.20608 0.03972 0.07792 ++ {0.0} {} 0.0 0.3580 0 {} 0
19 {} 8.63058 0.02385 0.02925 ++ {0.0} {} {} 7.23008 0.05970 0.07655 ++ {0.0} {} 0.0 0.1863 0 {} 0
20 {} 8.49609 0.00563 0.04044 ++ {0.0} {} {} 7.22452 0.06640 0.08846 ++ {0.0} {} 0.0 0.1980 0 {} 0
21 {} 8.42783 0.01013 0.04689 ++ {0.0} {} {} 7.20590 0.04236 0.07399 ++ {0.0} {} 0.0 0.2641 0 {} 0
22 {} 8.23751 0.00788 0.03577 ++ {0.0} {} {} 7.69197 0.04220 0.05876 ++ {0.0} {} 0.0 0.1498 0 {} 0
23 {} 8.13750 0.00190 0.01954 ++ {0.0} {} {} 7.20926 0.04062 0.04265 ++ {0.0} {} 0.0 0.1047 0 {} 0
24 {} 7.86252 0.00338 0.00482 ++ {0.0} {} {} 8.66759 0.04797 0.06155 ++ {0.0} {} 0.0 0.1294 0 {} 0
25 {} 7.85892 0.00338 0.03095 ++ {0.0} {} {} 8.50616 0.05297 0.06734 ++ {0.0} {} 0.0 0.1246 0 {} 0
26 {} 7.69151 0.01013 0.04168 ++ {0.0} {} {} 8.56070 0.04897 0.08639 ++ {0.0} {} 0.0 0.2935 0 {} 0
27 {} 7.69215 0.00563 0.02773 ++ {0.0} {} {} 8.23549 0.06607 0.09482 ++ {0.0} {} 0.0 0.1698 0 {} 0
28 {} 7.50747 0.00821 0.03245 ++ {0.0} {} {} 8.49416 0.05309 0.07064 ++ {0.0} {} 0.0 0.3587 0 {} 0
29 {} 7.50824 0.00716 0.02450 ++ {0.0} {} {} 8.63239 0.06669 0.11031 ++ {0.0} {} 0.0 0.1625 0 {} 0
30 {} 7.24290 0.00960 0.00930 ++ {0.0} {} {} 8.62892 0.05107 0.04938 ++ {0.0} {} 0.0 0.4589 0 {} 0
31 {} 7.24290 0.01056 0.01112 ++ {0.0} {} {} 8.49422 0.05849 0.06322 ++ {0.0} {} 0.0 0.5024 0 {} 0
32 {} 7.21302 0.01107 0.01655 ++ {0.0} {} {} 8.42698 0.02110 0.06571 ++ {0.0} {} 0.0 0.6630 -1 {} 0
33 {} 7.21302 0.01107 0.01655 ++ {0.0} {} {} 8.42698 0.02110 0.06571 ++ {0.0} {} 0.0 0.6630 -1 {} 0
34 {} 7.21325 0.01107 0.01550 ++ {0.0} {} {} 8.42302 0.02110 0.03357 ++ {0.0} {} 0.0 0.6630 0 {} 0
35 {} 7.21279 0.01107 0.02048 ++ {0.0} {} {} 8.48772 0.02110 0.05470 ++ {0.0} {} 0.0 0.6630 0 {} 0
36 {} 7.21321 0.00861 0.01171 ++ {0.0} {} {} 8.67082 0.03864 0.04750 ++ {0.0} {} 0.0 0.7692 0 {} 0
37 {} 7.41371 0.01173 0.02090 ++ {0.0} {} {} 10.52651 0.04292 0.08376 ++ {0.0} {} 0.0 1.2417 0 {} 0
38 {} 7.90275 0.00788 0.03828 ++ {0.0} {} {} 8.13054 0.05155 0.03107 ++ {0.0} {} 0.0 0.1391 0 {} 0
39 {} 8.13832 0.00464 0.03013 ++ {0.0} {} {} 7.89952 0.03728 0.06536 ++ {0.0} {} 0.0 0.1352 0 {} 0
40 {} 7.50771 0.00781 0.02675 ++ {0.0} {} {} 7.21768 0.05687 0.11388 ++ {0.0} {} 0.0 0.5413 0 {} 0
41 {} 7.41318 0.00569 0.01627 ++ {0.0} {} {} 7.24621 0.03749 0.04453 ++ {0.0} {} 0.0 0.2391 0 {} 0
42 {} 7.42034 0.01238 0.01769 ++ {0.0} {} {} 7.41336 0.04063 0.10132 ++ {0.0} {} 0.0 13.2705 -1 {} 0
43 {} 6.95119 0.01238 0.01769 ++ {0.0} {} {} 7.21165 0.03483 0.05688 ++ {0.0} {} 0.0 0.4751 0 {} 0
44 {} 7.01426 0.01013 0.01447 ++ {0.0} {} {} 7.21255 0.04180 0.06004 ++ {0.0} {} 0.0 0.3448 0 {} 0
45 {} 7.21238 0.01011 0.03147 ++ {0.0} {} {} 7.50589 0.03496 0.05722 ++ {0.0} {} 0.0 0.6596 0 {} 0
46 {} 7.24201 0.01119 0.01181 ++ {0.0} {} {} 7.50611 0.03225 0.03437 ++ {0.0} {} 0.0 0.3249 0 {} 0
47 {} 7.24301 0.01220 0.01789 ++ {0.0} {} {} 7.41315 0.03257 0.04357 ++ {0.0} {} 0.0 0.4584 0 {} 0
48 {} 8.66924 0.03085 0.08316 ++ {0.0} {} {} 4.50908 0.04234 0.11311 ++ {0.0} {} 0.0 0.9895 0 {} 0
49 {} 8.49668 0.00788 0.02730 ++ {0.0} {} {} 3.61876 0.07090 0.09559 ++ {0.0} {} 0.0 0.3078 0 {} 0
50 {} 8.13461 0.03511 0.08225 ++ {0.0} {} {} 3.83164 0.05411 0.10255 ++ {0.0} {} 0.0 0.7032 0 {} 0
51 {} 8.13692 0.03030 0.12022 ++ {0.0} {} {} 4.55650 0.04292 0.14149 ++ {0.0} {} 0.0 1.4913 0 {} 0
52 {} 8.23260 0.03200 0.08538 ++ {0.0} {} {} 4.79357 0.05350 0.11199 ++ {0.0} {} 0.0 1.0971 0 {} 0
53 {} 8.23479 0.00563 0.00804 ++ {0.0} {} {} 4.96501 0.05230 0.07440 ++ {0.0} {} 0.0 0.2536 0 {} 0
54 {} 8.42452 0.02792 0.04624 ++ {0.0} {} {} 4.91488 0.06828 0.10171 ++ {0.0} {} 0.0 0.9471 0 {} 0
55 {} 8.47474 0.02723 0.04695 ++ {0.0} {} {} 4.96547 0.06540 0.10341 ++ {0.0} {} 0.0 0.9086 0 {} 0
56 {} 8.50138 0.02961 0.04052 ++ {0.0} {} {} 4.87372 0.04312 0.06975 ++ {0.0} {} 0.0 0.7763 0 {} 0
57 {} 8.55141 0.00563 0.00804 ++ {0.0} {} {} 3.97622 0.05264 0.07455 ++ {0.0} {} 0.0 0.1887 0 {} 0
58 {} 8.55236 0.01126 0.01608 ++ {0.0} {} {} 3.72692 0.04689 0.05391 ++ {0.0} {} 0.0 0.1430 0 {} 0
59 {} 8.42757 0.00338 0.00482 ++ {0.0} {} {} 3.83607 0.07515 0.07646 ++ {0.0} {} 0.0 0.1268 0 {} 0
60 {} 8.42993 0.00788 0.01126 ++ {0.0} {} {} 3.62823 0.07547 0.08034 ++ {0.0} {} 0.0 0.1352 0 {} 0
61 {} 8.67017 0.01013 0.02867 ++ {0.0} {} {} 3.06490 0.06975 0.11466 ++ {0.0} {} 0.0 0.3246 0 {} 0
62 {} 8.62649 0.02507 0.03549 ++ {0.0} {} {} 3.13931 0.06980 0.12386 ++ {0.0} {} 0.0 0.3063 0 {} 0
63 {} 8.67029 0.03238 0.03970 ++ {0.0} {} {} 2.89609 0.07269 0.13714 ++ {0.0} {} 0.0 0.2912 0 {} 0
64 {} 8.66989 0.01238 0.01769 ++ {0.0} {} {} 2.03781 0.06747 0.11405 ++ {0.0} {} 0.0 0.3378 0 {} 0
65 {} 8.66924 0.01238 0.01769 ++ {0.0} {} {} 1.79777 0.06008 0.08917 ++ {0.0} {} 0.0 0.2663 0 {} 0
66 {} 8.47656 0.00563 0.03728 ++ {0.0} {} {} 2.89751 0.09465 0.10559 ++ {0.0} {} 0.0 0.1850 0 {} 0
67 {} 8.47416 0.02046 0.02923 ++ {0.0} {} {} 2.13207 0.07520 0.13421 ++ {0.0} {} 0.0 0.3397 0 {} 0
68 {} 8.47369 0.02765 0.04824 ++ {0.0} {} {} 1.97337 0.06913 0.11627 ++ {0.0} {} 0.0 0.3095 0 {} 0
69 {} 8.47562 0.00921 0.01316 ++ {0.0} {} {} 1.82207 0.06816 0.06348 ++ {0.0} {} 0.0 0.1440 0 {} 0
70 {} 8.42836 0.00338 0.03198 ++ {0.0} {} {} 2.89939 0.11146 0.13506 ++ {0.0} {} 0.0 0.1756 0 {} 0
71 {} 8.42785 0.00563 0.03148 ++ {0.0} {} {} 3.06393 0.08609 0.12735 ++ {0.0} {} 0.0 0.2314 0 {} 0
72 {} 8.23192 0.00563 0.00804 ++ {0.0} {} {} 2.90216 0.07437 0.07471 ++ {0.0} {} 0.0 0.1564 0 {} 0
73 {} 8.23580 0.00788 0.01727 ++ {0.0} {} {} 1.44687 0.05693 0.07433 ++ {0.0} {} 0.0 0.2380 0 {} 0
74 {} 8.42882 0.00563 0.02281 ++ {0.0} {} {} 0.91477 0.04540 0.06786 ++ {0.0} {} 0.0 0.2231 0 {} 0
75 {} 8.47211 0.02514 0.01364 ++ {0.0} {} {} 0.91464 0.06278 0.04106 ++ {0.0} {} 0.0 0.3187 0 {} 0
76 {} 8.56755 0.02425 0.01802 ++ {0.0} {} {} 0.89587 0.03446 0.03945 ++ {0.0} {} 0.0 0.6907 0 {} 0
77 {} 8.23470 0.03533 0.05663 ++ {0.0} {} {} 2.04171 0.06463 0.13983 ++ {0.0} {} 0.0 0.6023 0 {} 0
78 {} 8.14034 0.02057 0.03194 ++ {0.0} {} {} 1.87757 0.03937 0.06389 ++ {0.0} {} 0.0 0.5393 0 {} 0
79 {} 8.42644 0.03072 0.03209 ++ {0.0} {} {} 1.95450 0.06765 0.07170 ++ {0.0} {} 0.0 0.3260 -1 {} 0
80 {} 8.42497 0.01013 0.01447 ++ {0.0} {} {} 1.82193 0.05131 0.06276 ++ {0.0} {} 0.0 0.3738 -1 {} 0
81 {} 8.13871 0.00716 0.02707 ++ {0.0} {} {} 1.44757 0.05922 0.07153 ++ {0.0} {} 0.0 0.1400 0 {} 0
82 {} 8.13759 0.02781 0.01403 ++ {0.0} {} {} 0.91024 0.04672 0.01738 ++ {0.0} {} 0.0 0.8888 0 {} 0
83 {} 7.97121 0.00563 0.01438 ++ {0.0} {} {} 4.49288 0.04765 0.06108 ++ {0.0} {} 0.0 0.1295 0 {} 0
84 {} 7.97147 0.00716 0.01416 ++ {0.0} {} {} 4.37142 0.03877 0.04746 ++ {0.0} {} 0.0 0.1282 0 {} 0
85 {} 7.86413 0.00563 0.04171 ++ {0.0} {} {} 4.32384 0.03495 0.07078 ++ {0.0} {} 0.0 0.3110 0 {} 0
86 {} 7.86129 0.00338 0.02477 ++ {0.0} {} {} 3.00396 0.05518 0.04818 ++ {0.0} {} 0.0 0.0891 0 {} 0
87 {} 7.69270 0.00750 0.02484 ++ {0.0} {} {} 4.09058 0.04471 0.05726 ++ {0.0} {} 0.0 0.1353 0 {} 0
88 {} 7.69142 0.00350 0.02589 ++ {0.0} {} {} 2.90206 0.06763 0.06612 ++ {0.0} {} 0.0 0.0955 0 {} 0
89 {} 7.50757 0.00784 0.02741 ++ {0.0} {} {} 3.97483 0.04103 0.07084 ++ {0.0} {} 0.0 0.2006 0 {} 0
90 {} 7.50748 0.00878 0.02373 ++ {0.0} {} {} 4.88353 0.07703 0.10161 ++ {0.0} {} 0.0 0.1727 0 {} 0
91 {} 7.50818 0.00563 0.03309 ++ {0.0} {} {} 3.72865 0.03982 0.04501 ++ {0.0} {} 0.0 0.0915 0 {} 0
92 {} 7.50801 0.00855 0.03874 ++ {0.0} {} {} 3.14170 0.06678 0.07967 ++ {0.0} {} 0.0 1.1493 0 {} 0
93 {} 7.24340 0.01017 0.01648 ++ {0.0} {} {} 4.75307 0.05174 0.08254 ++ {0.0} {} 0.0 1.0908 0 {} 0
94 {} 7.21325 0.00976 0.02090 ++ {0.0} {} {} 4.91357 0.07019 0.11493 ++ {0.0} {} 0.0 1.7316 0 {} 0
95 {} 7.21260 0.00899 0.00807 ++ {0.0} {} {} 4.51723 0.06880 0.06478 ++ {0.0} {} 0.0 0.4373 0 {} 0
96 {} 7.24436 0.00878 0.01123 ++ {0.0} {} {} 3.97635 0.04917 0.06650 ++ {0.0} {} 0.0 0.3547 0 {} 0
97 {} 7.24322 0.01047 0.03037 ++ {0.0} {} {} 3.14435 0.05818 0.18220 ++ {0.0} {} 0.0 1.7633 0 {} 0
98 {} 7.21325 0.00930 0.02090 ++ {0.0} {} {} 2.89935 0.08459 0.15026 ++ {0.0} {} 0.0 1.4007 0 {} 0
99 {} 7.21322 0.01011 0.02090 ++ {0.0} {} {} 3.06664 0.08284 0.11834 ++ {0.0} {} 0.0 1.6769 0 {} 0
100 {} 7.21322 0.01011 0.02090 ++ {0.0} {} {} 3.06664 0.08284 0.11834 ++ {0.0} {} 0.0 1.6769 -1 {} 0
101 {} 7.14591 0.00563 0.00804 ++ {0.0} {} {} 4.91453 0.06296 0.07268 ++ {0.0} {} 0.0 0.1531 0 {} 0
102 {} 7.14549 0.01238 0.01769 ++ {0.0} {} {} 3.11096 0.08724 0.12462 ++ {0.0} {} 0.0 0.2145 0 {} 0
103 {} 7.14653 0.00338 0.00482 ++ {0.0} {} {} 2.89274 0.11269 0.10934 ++ {0.0} {} 0.0 0.1210 0 {} 0
104 {} 6.95146 0.00852 0.01415 ++ {0.0} {} {} 3.14488 0.09235 0.13366 ++ {0.0} {} 0.0 0.1591 0 {} 0
105 {} 7.97576 0.00512 0.01467 ++ {0.0} {} {} 1.97210 0.05164 0.08937 ++ {0.0} {} 0.0 0.0762 0 {} 0
106 {} 7.97531 0.00512 0.02169 ++ {0.0} {} {} 2.05850 0.04123 0.02718 ++ {0.0} {} 0.0 0.0742 0 {} 0
107 {} 7.86373 0.01013 0.01447 ++ {0.0} {} {} 2.14224 0.03470 0.08908 ++ {0.0} {} 0.0 0.1109 0 {} 0
108 {} 7.81125 0.00788 0.02007 ++ {0.0} {} {} 2.34380 0.05775 0.06065 ++ {0.0} {} 0.0 0.1042 0 {} 0
109 {} 7.77028 0.00788 0.03706 ++ {0.0} {} {} 2.34803 0.04369 0.04986 ++ {0.0} {} 0.0 0.1158 0 {} 0
110 {} 7.69157 0.01463 0.03400 ++ {0.0} {} {} 2.35084 0.04152 0.12167 ++ {0.0} {} 0.0 0.9500 0 {} 0
111 {} 7.69201 0.01688 0.02412 ++ {0.0} {} {} 2.24776 0.04699 0.08586 ++ {0.0} {} 0.0 0.6336 0 {} 0
112 {} 7.69130 0.00643 0.02802 ++ {0.0} {} {} 1.56678 0.04729 0.09650 ++ {0.0} {} 0.0 0.1980 0 {} 0
113 {} 7.69086 0.00338 0.02833 ++ {0.0} {} {} 1.25612 0.04867 0.04784 ++ {0.0} {} 0.0 0.2387 0 {} 0
114 {} 7.50773 0.00687 0.03460 ++ {0.0} {} {} 0.91437 0.05401 0.06720 ++ {0.0} {} 0.0 0.3284 0 {} 0
115 {} 7.21325 0.01031 0.02090 ++ {0.0} {} {} 2.03842 0.06812 0.09209 ++ {0.0} {} 0.0 0.8030 0 {} 0
116 {} 7.21277 0.00899 0.01023 ++ {0.0} {} {} 1.79710 0.06143 0.07077 ++ {0.0} {} 0.0 0.5401 0 {} 0
117 {} 7.21327 0.00953 0.02412 ++ {0.0} {} {} 0.91243 0.05496 0.08745 ++ {0.0} {} 0.0 1.3882 0 {} 0
118 {} 7.23915 0.00563 0.01094 ++ {0.0} {} {} 0.90756 0.05643 0.04733 ++ {0.0} {} 0.0 0.2102 0 {} 0
119 {} 7.14308 0.01236 0.01264 ++ {0.0} {} {} 0.91409 0.05476 0.05663 ++ {0.0} {} 0.0 0.2520 0 {} 0
120 {} 6.95187 0.00823 0.00880 ++ {0.0} {} {} 0.91665 0.05903 0.06436 ++ {0.0} {} 0.0 0.2710 0 {} 0
121 {} 7.01935 0.00533 0.01758 ++ {0.0} {} {} 0.92095 0.05820 0.06679 ++ {0.0} {} 0.0 0.1167 0 {} 0
122 {} 7.14594 0.00344 0.00738 ++ {0.0} {} {} 2.03325 0.05980 0.05923 ++ {0.0} {} 0.0 0.1226 0 {} 0
123 {} 7.14484 0.00338 0.01452 ++ {0.0} {} {} 1.79649 0.06522 0.03475 ++ {0.0} {} 0.0 0.0876 0 {} 0
124 {} 4.55870 0.00282 0.00595 ++ {0.0} {} {} 8.22807 0.04799 0.04473 ++ {0.0} {} 0.0 0.0931 0 {} 0
125 {} 4.55932 0.00716 0.01023 ++ {0.0} {} {} 8.14634 0.04576 0.04233 ++ {0.0} {} 0.0 0.0925 0 {} 0
126 {} 4.50715 0.00338 0.00482 ++ {0.0} {} {} 8.66483 0.03598 0.03951 ++ {0.0} {} 0.0 0.1103 0 {} 0
127 {} 4.29514 0.00338 0.03232 ++ {0.0} {} {} 8.13710 0.05972 0.08939 ++ {0.0} {} 0.0 0.1911 0 {} 0
128 {} 4.31930 0.01013 0.01447 ++ {0.0} {} {} 7.85975 0.05384 0.08585 ++ {0.0} {} 0.0 0.2469 0 {} 0
129 {} 4.20284 0.00507 0.01447 ++ {0.0} {} {} 8.69586 0.03536 0.04737 ++ {0.0} {} 0.0 0.1506 0 {} 0
130 {} 4.22867 0.00976 0.01214 ++ {0.0} {} {} 8.86809 0.03950 0.05552 ++ {0.0} {} 0.0 0.1532 0 {} 0
131 {} 4.09660 0.00646 0.00925 ++ {0.0} {} {} 7.68578 0.03363 0.04320 ++ {0.0} {} 0.0 0.1390 0 {} 0
132 {} 3.97586 0.01670 0.02496 ++ {0.0} {} {} 7.50661 0.03533 0.05208 ++ {0.0} {} 0.0 0.1868 0 {} 0
133 {} 3.97986 0.00788 0.01126 ++ {0.0} {} {} 7.23223 0.05931 0.08518 ++ {0.0} {} 0.0 0.2072 0 {} 0
134 {} 3.97738 0.02072 0.05055 ++ {0.0} {} {} 8.62793 0.04614 0.10324 ++ {0.0} {} 0.0 0.4988 -1 {} 0
135 {} 3.84668 0.02660 0.03801 ++ {0.0} {} {} 8.13353 0.04316 0.08783 ++ {0.0} {} 0.0 0.4286 0 {} 0
136 {} 3.62254 0.01913 0.02733 ++ {0.0} {} {} 8.49069 0.06072 0.09929 ++ {0.0} {} 0.0 0.3407 0 {} 0
137 {} 3.51119 0.01238 0.01769 ++ {0.0} {} {} 8.62958 0.04967 0.07589 ++ {0.0} {} 0.0 0.2464 0 {} 0
138 {} 4.06340 0.01013 0.01447 ++ {0.0} {} {} 8.13625 0.04882 0.07008 ++ {0.0} {} 0.0 0.4195 0 {} 0
139 {} 3.14440 0.03486 0.04980 ++ {0.0} {} {} 8.49499 0.04912 0.04636 ++ {0.0} {} 0.0 0.4489 -1 {} 0
140 {} 3.14442 0.05377 0.06672 ++ {0.0} {} {} 7.50583 0.03695 0.04337 ++ {0.0} {} 0.0 0.5738 0 {} 0
141 {} 3.14563 0.01463 0.02090 ++ {0.0} {} {} 7.22858 0.05581 0.06802 ++ {0.0} {} 0.0 0.6157 0 {} 0
142 {} 3.05814 0.01463 0.02090 ++ {0.0} {} {} 7.20598 0.03953 0.02159 ++ {0.0} {} 0.0 0.4077 0 {} 0
143 {} 2.90389 0.00716 0.01023 ++ {0.0} {} {} 7.20694 0.04629 0.02913 ++ {0.0} {} 0.0 0.2767 0 {} 0
144 {} 2.80508 0.00512 0.00731 ++ {0.0} {} {} 7.20701 0.04749 0.05402 ++ {0.0} {} 0.0 0.1749 0 {} 0
145 {} 3.14232 0.01238 0.02486 ++ {0.0} {} {} 8.63014 0.05747 0.08596 ++ {0.0} {} 0.0 0.2317 0 {} 0
146 {} 3.05763 0.01013 0.01447 ++ {0.0} {} {} 8.42889 0.04873 0.07839 ++ {0.0} {} 0.0 0.1356 0 {} 0
147 {} 2.90271 0.00563 0.00804 ++ {0.0} {} {} 8.46531 0.08728 0.09973 ++ {0.0} {} 0.0 0.1475 0 {} 0
148 {} 2.90318 0.00716 0.01023 ++ {0.0} {} {} 8.67332 0.04255 0.04492 ++ {0.0} {} 0.0 0.1316 0 {} 0
149 {} 2.90226 0.00338 0.00482 ++ {0.0} {} {} 8.23416 0.06033 0.05978 ++ {0.0} {} 0.0 0.1232 0 {} 0
150 {} 2.80411 0.00788 0.01126 ++ {0.0} {} {} 8.66482 0.04576 0.04711 ++ {0.0} {} 0.0 0.1281 0 {} 0
151 {} 2.34281 0.01463 0.02090 ++ {0.0} {} {} 7.69109 0.03929 0.06684 ++ {0.0} {} 0.0 0.7352 0 {} 0
152 {} 2.26193 0.01463 0.02090 ++ {0.0} {} {} 7.69102 0.03776 0.06611 ++ {0.0} {} 0.0 0.7732 0 {} 0
153 {} 2.03237 0.01013 0.01447 ++ {0.0} {} {} 7.21017 0.03819 0.07441 ++ {0.0} {} 0.0 0.2314 0 {} 0
154 {} 1.80383 0.01463 0.02090 ++ {0.0} {} {} 7.21143 0.02896 0.03762 ++ {0.0} {} 0.0 0.1773 0 {} 0
155 {} 2.04396 0.01238 0.01769 ++ {0.0} {} {} 8.22698 0.05806 0.09073 ++ {0.0} {} 0.0 0.5448 0 {} 0
156 {} 2.04035 0.00716 0.02468 ++ {0.0} {} {} 8.66946 0.04177 0.02964 ++ {0.0} {} 0.0 0.1881 0 {} 0
157 {} 1.88231 0.03039 0.04341 ++ {0.0} {} {} 8.14015 0.04925 0.06544 ++ {0.0} {} 0.0 0.5141 0 {} 0
158 {} 1.80447 0.00788 0.01126 ++ {0.0} {} {} 8.67252 0.03506 0.04024 ++ {0.0} {} 0.0 0.1823 0 {} 0
159 {} 1.55383 0.00338 0.04843 ++ {0.0} {} {} 7.69287 0.07180 0.07685 ++ {0.0} {} 0.0 0.1091 0 {} 0
160 {} 1.44344 0.00563 0.03835 ++ {0.0} {} {} 8.23258 0.05879 0.07807 ++ {0.0} {} 0.0 0.1495 0 {} 0
161 {} 1.44359 0.00563 0.03221 ++ {0.0} {} {} 8.13422 0.07332 0.09323 ++ {0.0} {} 0.0 0.0705 0 {} 0
162 {} 1.25373 0.00338 0.03158 ++ {0.0} {} {} 7.69384 0.04286 0.05122 ++ {0.0} {} 0.0 0.2413 0 {} 0
163 {} 0.91135 0.01013 0.01447 ++ {0.0} {} {} 7.50831 0.03845 0.04843 ++ {0.0} {} 0.0 0.2047 0 {} 0
164 {} 0.91133 0.01013 0.01447 ++ {0.0} {} {} 7.21326 0.03469 0.09152 ++ {0.0} {} 0.0 0.5438 0 {} 0
165 {} 4.30700 0.01000 0.02983 ++ {0.0} {} {} 4.96653 0.04596 0.07573 ++ {0.0} {} 0.0 0.1632 0 {} 0
166 {} 4.26135 0.00563 0.01811 ++ {0.0} {} {} 3.71195 0.05520 0.04132 ++ {0.0} {} 0.0 0.0801 0 {} 0
167 {} 4.32233 0.00563 0.00804 ++ {0.0} {} {} 3.97431 0.04901 0.03580 ++ {0.0} {} 0.0 0.0783 0 {} 0
168 {} 4.32449 0.00426 0.02601 ++ {0.0} {} {} 2.81190 0.07146 0.05819 ++ {0.0} {} 0.0 0.0823 0 {} 0
169 {} 4.09684 0.00621 0.01608 ++ {0.0} {} {} 4.55137 0.04769 0.09527 ++ {0.0} {} 0.0 0.2470 0 {} 0
170 {} 4.09718 0.00715 0.01608 ++ {0.0} {} {} 2.34964 0.04023 0.09671 ++ {0.0} {} 0.0 0.4139 0 {} 0
171 {} 4.09718 0.00722 0.01754 ++ {0.0} {} {} 2.25083 0.04494 0.08230 ++ {0.0} {} 0.0 0.2636 0 {} 0
172 {} 4.09716 0.00766 0.00813 ++ {0.0} {} {} 1.87830 0.04077 0.04438 ++ {0.0} {} 0.0 0.1091 0 {} 0
173 {} 4.09680 0.00394 0.01432 ++ {0.0} {} {} 1.55899 0.06705 0.13986 ++ {0.0} {} 0.0 0.1004 0 {} 0
174 {} 4.09695 0.00694 0.01608 ++ {0.0} {} {} 0.91258 0.04761 0.08520 ++ {0.0} {} 0.0 0.3830 0 {} 0
175 {} 3.97874 0.02324 0.02355 ++ {0.0} {} {} 4.75089 0.07024 0.07139 ++ {0.0} {} 0.0 0.3089 0 {} 0
176 {} 3.97890 0.00788 0.01126 ++ {0.0} {} {} 4.31927 0.03131 0.03670 ++ {0.0} {} 0.0 0.1877 0 {} 0
177 {} 3.97714 0.00716 0.01023 ++ {0.0} {} {} 3.14386 0.07120 0.07436 ++ {0.0} {} 0.0 0.1054 0 {} 0
178 {} 3.97688 0.00338 0.00482 ++ {0.0} {} {} 3.01593 0.09498 0.05763 ++ {0.0} {} 0.0 0.0779 0 {} 0
179 {} 3.97570 0.00282 0.00432 ++ {0.0} {} {} 1.96522 0.02697 0.04329 ++ {0.0} {} 0.0 0.0753 0 {} 0
180 {} 3.62246 0.00563 0.03707 ++ {0.0} {} {} 2.15749 0.07701 0.05272 ++ {0.0} {} 0.0 0.0971 0 {} 0
181 {} 3.62218 0.00639 0.03875 ++ {0.0} {} {} 1.95868 0.04658 0.07779 ++ {0.0} {} 0.0 0.0974 0 {} 0
182 {} 4.05516 0.03939 0.05628 ++ {0.0} {} {} 3.82974 0.05170 0.07570 ++ {0.0} {} 0.0 0.9284 0 {} 0
183 {} 3.84684 0.02154 0.02842 ++ {0.0} {} {} 4.06958 0.07057 0.09317 ++ {0.0} {} 0.0 0.9670 0 {} 0
184 {} 3.73037 0.01463 0.02090 ++ {0.0} {} {} 3.50872 0.05372 0.08822 ++ {0.0} {} 0.0 1.7617 0 {} 0
185 {} 3.50857 0.02139 0.03055 ++ {0.0} {} {} 3.72079 0.03992 0.08022 ++ {0.0} {} 0.0 1.6181 0 {} 0
186 {} 3.39735 0.00563 0.03965 ++ {0.0} {} {} 3.76688 0.07309 0.09275 ++ {0.0} {} 0.0 0.1873 0 {} 0
187 {} 3.39684 0.00563 0.02519 ++ {0.0} {} {} 4.07688 0.03454 0.02224 ++ {0.0} {} 0.0 0.0917 0 {} 0
188 {} 3.05677 0.06931 0.04487 ++ {0.0} {} {} 2.89644 0.04070 0.06888 ++ {0.0} {} 0.0 0.5615 0 {} 0
189 {} 2.91031 0.00921 0.01316 ++ {0.0} {} {} 3.06337 0.03574 0.02924 ++ {0.0} {} 0.0 0.4536 0 {} 0
190 {} 2.90310 0.01228 0.01754 ++ {0.0} {} {} 0.91092 0.05659 0.03571 ++ {0.0} {} 0.0 0.2228 0 {} 0
191 {} 3.05460 0.01637 0.02339 ++ {0.0} {} {} 4.91331 0.06094 0.05069 ++ {0.0} {} 0.0 0.2605 0 {} 0
192 {} 3.06239 0.00563 0.00804 ++ {0.0} {} {} 0.91580 0.04477 0.04929 ++ {0.0} {} 0.0 0.1106 0 {} 0
193 {} 3.14623 0.00563 0.03832 ++ {0.0} {} {} 4.87898 0.02794 0.03133 ++ {0.0} {} 0.0 0.1415 0 {} 0
194 {} 2.34800 0.01228 0.03113 ++ {0.0} {} {} 4.09437 0.04795 0.06072 ++ {0.0} {} 0.0 0.2091 0 {} 0
195 {} 2.25498 0.01433 0.02512 ++ {0.0} {} {} 4.09502 0.04628 0.06173 ++ {0.0} {} 0.0 0.2389 0 {} 0
196 {} 2.25485 0.00512 0.02211 ++ {0.0} {} {} 4.30585 0.05352 0.03426 ++ {0.0} {} 0.0 0.1152 0 {} 0
197 {} 2.34165 0.00723 0.01754 ++ {0.0} {} {} 0.90356 0.04806 0.07436 ++ {0.0} {} 0.0 0.2370 0 {} 0
198 {} 2.25518 0.01238 0.03502 ++ {0.0} {} {} 0.90151 0.03660 0.05428 ++ {0.0} {} 0.0 0.2753 0 {} 0
199 {} 2.13879 0.00563 0.03626 ++ {0.0} {} {} 3.62137 0.07658 0.08819 ++ {0.0} {} 0.0 0.1209 0 {} 0
200 {} 1.88199 0.01126 0.01608 ++ {0.0} {} {} 1.30857 0.04224 0.03281 ++ {0.0} {} 0.0 0.1588 0 {} 0
201 {} 1.82685 0.01013 0.01447 ++ {0.0} {} {} 4.92367 0.04229 0.04273 ++ {0.0} {} 0.0 0.1005 0 {} 0
202 {} 2.12823 0.01913 0.02733 ++ {0.0} {} {} 4.96339 0.06996 0.07537 ++ {0.0} {} 0.0 0.3263 0 {} 0
203 {} 1.95706 0.00512 0.00731 ++ {0.0} {} {} 3.61984 0.03588 0.04692 ++ {0.0} {} 0.0 0.1149 0 {} 0
204 {} 1.30820 0.00571 0.01769 ++ {0.0} {} {} 4.55708 0.03832 0.08742 ++ {0.0} {} 0.0 0.4838 0 {} 0
205 {} 1.25795 0.00338 0.02096 ++ {0.0} {} {} 4.30259 0.04528 0.04230 ++ {0.0} {} 0.0 0.1166 0 {} 0
206 {} 0.91155 0.00913 0.01447 ++ {0.0} {} {} 2.90385 0.07701 0.11541 ++ {0.0} {} 0.0 0.4569 0 {} 0
207 {} 0.91191 0.00563 0.00804 ++ {0.0} {} {} 3.06296 0.08141 0.07937 ++ {0.0} {} 0.0 0.2356 0 {} 0
208 {} 0.91248 0.00563 0.00804 ++ {0.0} {} {} 3.83546 0.06441 0.04287 ++ {0.0} {} 0.0 0.1391 0 {} 0
209 {} 0.91297 0.01228 0.01754 ++ {0.0} {} {} 4.09341 0.05724 0.08563 ++ {0.0} {} 0.0 0.4067 0 {} 0
210 {} 0.91370 0.01238 0.01769 ++ {0.0} {} {} 4.95995 0.08370 0.11816 ++ {0.0} {} 0.0 0.4155 0 {} 0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   4N3   1           H        DVA   1   1.137   2.793  -0.894
    2    HA   4N3   1           HA       DVA   1   3.875   2.242  -0.254
    3    HB   4N3   1           HB       DVA   1   2.302   3.368   1.318
    4   HG13  4N3   1          HG13      DVA   1   1.516   4.893  -0.707
    5   HG11  4N3   1          HG11      DVA   1   2.754   5.963  -0.049
    6   HG12  4N3   1          HG12      DVA   1   1.413   5.435   0.969
    7   HG22  4N3   1          HG22      DVA   1   3.954   4.653   2.332
    8   HG23  4N3   1          HG23      DVA   1   4.607   5.208   0.791
    9   HG21  4N3   1          HG21      DVA   1   4.878   3.547   1.317
   10    HD2  4N3   1           HD2      DVA   1   2.025  -0.807  -1.991
   11    HD1  4N3   1           HD1      DVA   1   2.986  -0.134  -0.653
   12    HE1  4N3   1           HE1      DVA   1   0.976  -0.990   0.360
   13    HE2  4N3   1           HE2      DVA   1   0.760   0.775   0.287
   14    HF2  4N3   1           HF2      DVA   1  -0.227  -1.039  -1.951
   15    HF1  4N3   1           HF1      DVA   1  -0.724   0.630  -1.577
   16    HH1  4N3   1           HH1      DVA   1  -2.099  -0.028   0.186
   17    HH2  4N3   1           HH2      DVA   1  -1.131  -1.479   0.540
   18    HI1  4N3   1           HI1      DVA   1  -3.193  -1.060  -1.655
   19    HI2  4N3   1           HI2      DVA   1  -1.950  -2.327  -1.798
   20    HJ1  4N3   1           HJ1      DVA   1  -2.744  -2.908   0.690
   21    HJ2  4N3   1           HJ2      DVA   1  -3.639  -3.527  -0.718
   22    HK3  4N3   1           HK3      DVA   1  -5.306  -2.590   0.736
   23    HK2  4N3   1           HK2      DVA   1  -5.075  -1.387  -0.555
   24    HK1  4N3   1           HK1      DVA   1  -4.330  -1.134   1.041
   25    H    4FO   2           H        4FO   2   5.708   3.218  -0.909
   26    HA   4FO   2           HA       4FO   2   7.234   4.459  -2.226
   27    HB2  4FO   2           HB2      4FO   2   4.948   6.365  -2.983
   28    HB3  4FO   2           HB3      4FO   2   5.528   6.277  -1.298
   29    HG3  4FO   2           HG3      4FO   2   7.295   7.077  -3.728
   30    HG2  4FO   2           HG2      4FO   2   7.840   6.917  -2.020
   31    HZ3  4FO   2           HZ3      4FO   2   7.205   9.251  -2.814
   32    HZ2  4FO   2           HZ1      4FO   2   5.559   8.741  -2.632
   33    HZ1  4FO   2           HZ2      4FO   2   6.636   8.712  -1.322
   34    H    GLY   3           H        GLY   3   7.726   5.124  -4.459
   35    HA2  GLY   3           HA2      GLY   3   7.466   3.256  -6.321
   36    HA3  GLY   3           HA3      GLY   3   5.920   4.073  -6.497
   37    H    SER   4           H        SER   4   8.633   3.813  -8.049
   38    HA   SER   4           HA       SER   4   9.268   6.627  -8.422
   39    HB2  SER   4           HB2      SER   4  10.917   4.564  -8.414
   40    HB3  SER   4           HB3      SER   4  10.454   4.461 -10.113
   41    HG   SER   4           HG       SER   4  11.931   5.936 -10.363
   42    H    TRP   5           H        TRP   5   9.856   6.882 -11.026
   43    HA   TRP   5           HA       TRP   5   7.217   6.874 -12.249
   44    HB2  TRP   5           HB2      TRP   5   8.291   8.956 -12.476
   45    HB3  TRP   5           HB3      TRP   5   9.828   8.214 -12.912
   46    HD1  TRP   5           HD1      TRP   5   6.318   7.805 -14.534
   47    HE1  TRP   5           HE1      TRP   5   6.554   8.293 -17.050
   48    HE3  TRP   5           HE3      TRP   5  11.276   9.046 -14.659
   49    HZ2  TRP   5           HZ2      TRP   5   8.574   9.096 -18.850
   50    HZ3  TRP   5           HZ3      TRP   5  12.283   9.662 -16.818
   51    HH2  TRP   5           HH2      TRP   5  10.959   9.685 -18.869
   52    H    SER   6           H        SER   6  10.429   6.299 -13.673
   53    HA   SER   6           HA       SER   6   9.389   4.585 -15.684
   54    HB2  SER   6           HB2      SER   6  11.456   5.933 -15.964
   55    HB3  SER   6           HB3      SER   6  12.262   4.903 -14.782
   56    HG   SER   6           HG       SER   6  11.179   4.089 -17.277
   57    H    DAB   7           H        DAB   7   9.045   2.494 -15.735
   58    HA   DAB   7           HA       DAB   7   9.015   0.189 -15.195
   59    HB2  DAB   7           HB2      DAB   7  11.000  -0.798 -14.193
   60    HB3  DAB   7           HB3      DAB   7  11.443   0.746 -13.418
   61    HG2  DAB   7           HG2      DAB   7  11.727   1.632 -15.927
   62    HG3  DAB   7           HG3      DAB   7  11.910  -0.112 -16.333
   63    HD1  DAB   7           HZ3      DAB   7  14.025   0.019 -15.546
   64    HD2  DAB   7           HZ2      DAB   7  13.795   1.672 -15.310
   65    HZ1  DAB   7           HZ1      DAB   7  13.498   0.624 -14.011
   66    H    4FO   8           H        4FO   8   9.511  -1.268 -13.017
   67    HA   4FO   8           HA       4FO   8   8.565  -1.972 -10.957
   68    HB2  4FO   8           HB2      4FO   8   6.164  -1.197 -10.598
   69    HB3  4FO   8           HB3      4FO   8   6.384  -0.041 -11.939
   70    HG3  4FO   8           HG3      4FO   8   6.534  -3.121 -12.330
   71    HG2  4FO   8           HG2      4FO   8   6.580  -1.840 -13.594
   72    HZ3  4FO   8           HZ3      4FO   8   4.311  -1.132 -12.881
   73    HZ2  4FO   8           HZ1      4FO   8   4.361  -2.765 -13.456
   74    HZ1  4FO   8           HZ2      4FO   8   4.269  -2.422 -11.798
   75    H    PHE   9           H        PHE   9   7.207  -0.926  -8.964
   76    HA   PHE   9           HA       PHE   9   8.044   1.696  -8.211
   77    HB2  PHE   9           HB2      PHE   9   7.065  -0.480  -6.361
   78    HB3  PHE   9           HB3      PHE   9   6.984   1.260  -6.111
   79    HD1  PHE   9           HD2      PHE   9   5.934   2.231  -8.644
   80    HD2  PHE   9           HD1      PHE   9   4.887  -1.236  -6.408
   81    HE1  PHE   9           HE2      PHE   9   3.686   2.270  -9.643
   82    HE2  PHE   9           HE1      PHE   9   2.638  -1.204  -7.404
   83    HZ   PHE   9           HZ       PHE   9   2.034   0.551  -9.023
   84    H    GLU  10           H        GLU  10   8.999   1.683  -5.743
   85    HA   GLU  10           HA       GLU  10  11.569   0.264  -5.980
   86    HB2  GLU  10           HB2      GLU  10  10.868   2.924  -4.747
   87    HB3  GLU  10           HB3      GLU  10  12.388   2.106  -4.414
   88    HG2  GLU  10           HG2      GLU  10  12.801   2.086  -6.890
   89    HG3  GLU  10           HG3      GLU  10  11.399   3.142  -7.054
   90    H    VAL  11           H        VAL  11   8.888   1.033  -3.872
   91    HA   VAL  11           HA       VAL  11   9.996  -0.004  -1.476
   92    HB   VAL  11           HB       VAL  11   7.620  -0.111  -0.694
   93   HG11  VAL  11          HG11      VAL  11   9.211   1.987  -0.839
   94   HG12  VAL  11          HG12      VAL  11   7.972   2.559  -1.957
   95   HG13  VAL  11          HG13      VAL  11   7.539   2.139  -0.299
   96   HG21  VAL  11          HG21      VAL  11   6.465   1.404  -2.830
   97   HG22  VAL  11          HG22      VAL  11   7.092  -0.120  -3.459
   98   HG23  VAL  11          HG23      VAL  11   5.928  -0.125  -2.134
   99    H    28J  12           H        28J  12   8.375  -1.388  -4.220
  100    HA   28J  12           HA       28J  12   8.619  -4.171  -3.034
  101    H22  28J  12           HB       28J  12   8.630  -5.059  -5.243
  102    H23  28J  12          HG21      28J  12   8.464  -2.805  -7.062
  103    H24  28J  12          HG22      28J  12   7.315  -4.155  -6.891
  104    H25  28J  12          HG23      28J  12   7.074  -2.654  -5.932
  105    H26  28J  12          HG12      28J  12  10.310  -2.461  -5.223
  106    H27  28J  12          HG13      28J  12  10.764  -4.036  -4.496
  107    H28  28J  12          HD13      28J  12  11.428  -3.208  -7.119
  108    H29  28J  12          HD11      28J  12  11.500  -4.883  -6.492
  109    H30  28J  12          HD12      28J  12  10.040  -4.331  -7.385
  110    H    ALA  13           H        ALA  13   6.562  -2.235  -2.331
  111    HA   ALA  13           HA       ALA  13   4.363  -2.338  -1.742
  112    HB1  ALA  13           HB1      ALA  13   4.032  -1.556  -3.997
  113    HB2  ALA  13           HB2      ALA  13   4.116  -3.205  -4.619
  114    HB3  ALA  13           HB3      ALA  13   2.767  -2.718  -3.593
  Start of MODEL    2
    1    H1   4N3   1           H        DVA   1   2.948   2.395  -1.268
    2    HA   4N3   1           HA       DVA   1   5.135   2.936   0.611
    3    HB   4N3   1           HB       DVA   1   2.714   4.722   0.346
    4   HG13  4N3   1          HG13      DVA   1   3.830   5.697   2.471
    5   HG11  4N3   1          HG11      DVA   1   4.474   6.127   0.886
    6   HG12  4N3   1          HG12      DVA   1   5.285   4.903   1.865
    7   HG22  4N3   1          HG22      DVA   1   2.120   2.685   1.529
    8   HG23  4N3   1          HG23      DVA   1   2.196   4.041   2.654
    9   HG21  4N3   1          HG21      DVA   1   3.516   2.874   2.591
   10    HD2  4N3   1           HD2      DVA   1   2.558   0.220  -1.695
   11    HD1  4N3   1           HD1      DVA   1   3.312  -1.018  -0.664
   12    HE1  4N3   1           HE1      DVA   1   1.612  -0.858   0.982
   13    HE2  4N3   1           HE2      DVA   1   1.088   0.746   0.417
   14    HF2  4N3   1           HF2      DVA   1   0.624  -1.959  -0.911
   15    HF1  4N3   1           HF1      DVA   1   0.418  -0.425  -1.790
   16    HH1  4N3   1           HH1      DVA   1  -0.935  -0.847   0.894
   17    HH2  4N3   1           HH2      DVA   1  -1.673  -1.485  -0.595
   18    HI1  4N3   1           HI1      DVA   1  -0.869   1.429  -0.121
   19    HI2  4N3   1           HI2      DVA   1  -1.622   0.786  -1.600
   20    HJ1  4N3   1           HJ1      DVA   1  -2.830   1.050   1.179
   21    HJ2  4N3   1           HJ2      DVA   1  -3.514  -0.070  -0.022
   22    HK3  4N3   1           HK3      DVA   1  -4.002   2.726   0.197
   23    HK2  4N3   1           HK2      DVA   1  -4.533   1.640  -1.110
   24    HK1  4N3   1           HK1      DVA   1  -2.992   2.519  -1.254
   25    H    4FO   2           H        4FO   2   5.996   2.607  -1.706
   26    HA   4FO   2           HA       4FO   2   7.296   3.573  -3.432
   27    HB2  4FO   2           HB2      4FO   2   6.611   6.365  -2.364
   28    HB3  4FO   2           HB3      4FO   2   7.579   5.247  -1.366
   29    HG3  4FO   2           HG3      4FO   2   8.452   6.055  -4.234
   30    HG2  4FO   2           HG2      4FO   2   9.388   5.164  -2.981
   31    HZ3  4FO   2           HZ3      4FO   2   9.375   7.916  -3.341
   32    HZ2  4FO   2           HZ1      4FO   2   8.527   7.639  -1.857
   33    HZ1  4FO   2           HZ2      4FO   2  10.082   7.013  -2.107
   34    H    GLY   3           H        GLY   3   7.095   4.539  -5.463
   35    HA2  GLY   3           HA2      GLY   3   4.942   4.245  -6.941
   36    HA3  GLY   3           HA3      GLY   3   4.511   5.743  -6.129
   37    H    SER   4           H        SER   4   7.602   4.584  -7.455
   38    HA   SER   4           HA       SER   4   8.359   7.081  -8.477
   39    HB2  SER   4           HB2      SER   4   9.726   4.858  -8.069
   40    HB3  SER   4           HB3      SER   4   9.350   4.570  -9.767
   41    HG   SER   4           HG       SER   4  10.582   6.916  -8.749
   42    H    TRP   5           H        TRP   5   8.832   7.475 -10.846
   43    HA   TRP   5           HA       TRP   5   6.364   7.065 -12.329
   44    HB2  TRP   5           HB2      TRP   5   7.079   9.307 -12.404
   45    HB3  TRP   5           HB3      TRP   5   8.756   8.854 -12.698
   46    HD1  TRP   5           HD1      TRP   5   5.542   7.915 -14.673
   47    HE1  TRP   5           HE1      TRP   5   5.930   8.530 -17.142
   48    HE3  TRP   5           HE3      TRP   5  10.199   9.984 -14.272
   49    HZ2  TRP   5           HZ2      TRP   5   7.945   9.732 -18.712
   50    HZ3  TRP   5           HZ3      TRP   5  11.288  10.843 -16.305
   51    HH2  TRP   5           HH2      TRP   5  10.182  10.718 -18.478
   52    H    SER   6           H        SER   6   9.749   7.098 -13.433
   53    HA   SER   6           HA       SER   6   9.219   5.310 -15.574
   54    HB2  SER   6           HB2      SER   6  11.607   5.389 -15.997
   55    HB3  SER   6           HB3      SER   6  11.044   7.010 -15.589
   56    HG   SER   6           HG       SER   6  12.807   5.379 -14.270
   57    H    DAB   7           H        DAB   7  10.083   3.228 -15.935
   58    HA   DAB   7           HA       DAB   7  10.592   0.971 -15.432
   59    HB2  DAB   7           HB2      DAB   7  12.120   0.524 -13.548
   60    HB3  DAB   7           HB3      DAB   7  11.701   2.088 -12.799
   61    HG2  DAB   7           HG2      DAB   7  12.989   3.364 -14.354
   62    HG3  DAB   7           HG3      DAB   7  13.164   2.010 -15.527
   63    HD1  DAB   7           HZ3      DAB   7  14.641   2.602 -13.026
   64    HD2  DAB   7           HZ2      DAB   7  14.270   0.977 -13.276
   65    HZ1  DAB   7           HZ1      DAB   7  15.170   1.790 -14.461
   66    H    4FO   8           H        4FO   8  10.442  -0.690 -13.512
   67    HA   4FO   8           HA       4FO   8   8.943  -2.015 -12.244
   68    HB2  4FO   8           HB2      4FO   8   6.518  -1.736 -12.732
   69    HB3  4FO   8           HB3      4FO   8   6.833  -0.126 -13.432
   70    HG3  4FO   8           HG3      4FO   8   8.078  -1.186 -15.378
   71    HG2  4FO   8           HG2      4FO   8   6.368  -1.724 -15.220
   72    HZ3  4FO   8           HZ3      4FO   8   6.957  -3.841 -14.878
   73    HZ2  4FO   8           HZ1      4FO   8   8.543  -3.402 -15.417
   74    HZ1  4FO   8           HZ2      4FO   8   8.158  -3.440 -13.766
   75    H    PHE   9           H        PHE   9   6.963  -1.779 -10.656
   76    HA   PHE   9           HA       PHE   9   6.848   0.660  -9.168
   77    HB2  PHE   9           HB2      PHE   9   5.940  -2.066  -8.239
   78    HB3  PHE   9           HB3      PHE   9   5.360  -0.496  -7.693
   79    HD1  PHE   9           HD2      PHE   9   4.890   0.928 -10.184
   80    HD2  PHE   9           HD1      PHE   9   4.134  -3.140  -9.187
   81    HE1  PHE   9           HE2      PHE   9   3.099   0.852 -11.869
   82    HE2  PHE   9           HE1      PHE   9   2.342  -3.223 -10.871
   83    HZ   PHE   9           HZ       PHE   9   1.822  -1.226 -12.214
   84    H    GLU  10           H        GLU  10   7.875   1.231  -7.314
   85    HA   GLU  10           HA       GLU  10   9.855  -0.669  -6.240
   86    HB2  GLU  10           HB2      GLU  10  10.713   1.353  -7.615
   87    HB3  GLU  10           HB3      GLU  10  10.271   2.306  -6.205
   88    HG2  GLU  10           HG2      GLU  10  12.502   1.871  -5.841
   89    HG3  GLU  10           HG3      GLU  10  11.709   0.614  -4.893
   90    H    VAL  11           H        VAL  11   7.088  -0.046  -5.393
   91    HA   VAL  11           HA       VAL  11   7.088   1.581  -3.092
   92    HB   VAL  11           HB       VAL  11   5.026   0.303  -2.455
   93   HG11  VAL  11          HG11      VAL  11   4.289   2.059  -3.643
   94   HG12  VAL  11          HG12      VAL  11   5.472   1.813  -4.929
   95   HG13  VAL  11          HG13      VAL  11   3.985   0.864  -4.904
   96   HG21  VAL  11          HG21      VAL  11   4.852  -1.038  -5.045
   97   HG22  VAL  11          HG22      VAL  11   6.099  -1.699  -3.987
   98   HG23  VAL  11          HG23      VAL  11   4.426  -1.620  -3.435
   99    H    28J  12           H        28J  12   8.214  -1.608  -3.712
  100    HA   28J  12           HA       28J  12   9.539  -2.017  -1.163
  101    H22  28J  12           HB       28J  12   9.894  -4.319  -1.866
  102    H23  28J  12          HG21      28J  12   8.789  -5.278  -3.936
  103    H24  28J  12          HG22      28J  12   7.595  -4.904  -2.669
  104    H25  28J  12          HG23      28J  12   7.773  -3.803  -4.077
  105    H26  28J  12          HG12      28J  12  10.029  -2.476  -4.346
  106    H27  28J  12          HG13      28J  12  11.162  -2.405  -2.958
  107    H28  28J  12          HD13      28J  12  10.758  -5.010  -4.587
  108    H29  28J  12          HD11      28J  12  11.971  -3.765  -5.010
  109    H30  28J  12          HD12      28J  12  12.078  -4.608  -3.425
  110    H    ALA  13           H        ALA  13   6.250  -2.562  -2.121
  111    HA   ALA  13           HA       ALA  13   4.410  -3.179  -0.932
  112    HB1  ALA  13           HB1      ALA  13   5.924  -5.318  -0.876
  113    HB2  ALA  13           HB2      ALA  13   6.043  -4.931   0.841
  114    HB3  ALA  13           HB3      ALA  13   4.465  -5.223   0.109
  Start of MODEL    3
    1    H1   4N3   1           H        DVA   1   1.964   3.665  -0.841
    2    HA   4N3   1           HA       DVA   1   4.523   2.453  -0.123
    3    HB   4N3   1           HB       DVA   1   3.359   5.087   0.789
    4   HG13  4N3   1          HG13      DVA   1   5.039   4.449   2.729
    5   HG11  4N3   1          HG11      DVA   1   5.572   5.319   1.290
    6   HG12  4N3   1          HG12      DVA   1   5.841   3.579   1.418
    7   HG22  4N3   1          HG22      DVA   1   2.996   3.748   2.940
    8   HG23  4N3   1          HG23      DVA   1   3.172   2.315   1.928
    9   HG21  4N3   1          HG21      DVA   1   1.877   3.468   1.606
   10    HD2  4N3   1           HD2      DVA   1   2.685  -0.260  -1.436
   11    HD1  4N3   1           HD1      DVA   1   3.719   0.627  -0.291
   12    HE1  4N3   1           HE1      DVA   1   2.032  -0.083   1.161
   13    HE2  4N3   1           HE2      DVA   1   1.346   1.473   0.636
   14    HF2  4N3   1           HF2      DVA   1   0.605  -1.334  -0.260
   15    HF1  4N3   1           HF1      DVA   1   0.263   0.068  -1.304
   16    HH1  4N3   1           HH1      DVA   1  -0.533   0.197   1.608
   17    HH2  4N3   1           HH2      DVA   1  -1.536  -0.755   0.488
   18    HI1  4N3   1           HI1      DVA   1  -0.720   2.147  -0.016
   19    HI2  4N3   1           HI2      DVA   1  -1.894   1.184  -0.945
   20    HJ1  4N3   1           HJ1      DVA   1  -3.139   0.918   1.350
   21    HJ2  4N3   1           HJ2      DVA   1  -3.274   2.471   0.491
   22    HK3  4N3   1           HK3      DVA   1  -0.914   2.697   2.033
   23    HK2  4N3   1           HK2      DVA   1  -2.089   1.903   3.110
   24    HK1  4N3   1           HK1      DVA   1  -2.480   3.474   2.369
   25    H    4FO   2           H        4FO   2   5.439   2.533  -2.211
   26    HA   4FO   2           HA       4FO   2   7.015   3.396  -3.752
   27    HB2  4FO   2           HB2      4FO   2   8.404   5.222  -3.072
   28    HB3  4FO   2           HB3      4FO   2   7.080   5.988  -2.154
   29    HG3  4FO   2           HG3      4FO   2   8.609   3.446  -1.221
   30    HG2  4FO   2           HG2      4FO   2   7.257   4.264  -0.360
   31    HZ3  4FO   2           HZ3      4FO   2  10.035   4.993  -0.371
   32    HZ2  4FO   2           HZ1      4FO   2   9.020   6.328  -0.801
   33    HZ1  4FO   2           HZ2      4FO   2   8.765   5.461   0.633
   34    H    GLY   3           H        GLY   3   6.297   3.881  -5.687
   35    HA2  GLY   3           HA2      GLY   3   4.507   4.805  -7.050
   36    HA3  GLY   3           HA3      GLY   3   4.496   6.202  -5.983
   37    H    SER   4           H        SER   4   6.498   4.470  -8.340
   38    HA   SER   4           HA       SER   4   7.907   6.990  -8.902
   39    HB2  SER   4           HB2      SER   4   9.340   5.075  -8.275
   40    HB3  SER   4           HB3      SER   4   8.698   4.161  -9.639
   41    HG   SER   4           HG       SER   4  10.624   5.105 -10.262
   42    H    TRP   5           H        TRP   5   8.449   7.416 -11.180
   43    HA   TRP   5           HA       TRP   5   6.124   6.918 -12.856
   44    HB2  TRP   5           HB2      TRP   5   6.752   9.187 -12.868
   45    HB3  TRP   5           HB3      TRP   5   8.463   8.802 -13.028
   46    HD1  TRP   5           HD1      TRP   5   5.457   7.748 -15.257
   47    HE1  TRP   5           HE1      TRP   5   6.017   8.391 -17.685
   48    HE3  TRP   5           HE3      TRP   5   9.981   9.999 -14.479
   49    HZ2  TRP   5           HZ2      TRP   5   8.100   9.681 -19.086
   50    HZ3  TRP   5           HZ3      TRP   5  11.193  10.911 -16.416
   51    HH2  TRP   5           HH2      TRP   5  10.271  10.754 -18.671
   52    H    SER   6           H        SER   6   9.582   7.092 -13.685
   53    HA   SER   6           HA       SER   6   9.295   5.294 -15.865
   54    HB2  SER   6           HB2      SER   6  11.042   7.055 -15.764
   55    HB3  SER   6           HB3      SER   6  11.833   6.167 -14.462
   56    HG   SER   6           HG       SER   6  12.846   5.497 -16.272
   57    H    DAB   7           H        DAB   7  10.799   3.376 -16.092
   58    HA   DAB   7           HA       DAB   7  11.260   1.112 -15.530
   59    HB2  DAB   7           HB2      DAB   7  12.994   2.591 -14.195
   60    HB3  DAB   7           HB3      DAB   7  12.792   0.854 -13.839
   61    HG2  DAB   7           HG2      DAB   7  11.251   1.540 -11.868
   62    HG3  DAB   7           HG3      DAB   7  11.843   3.225 -12.086
   63    HD1  DAB   7           HZ3      DAB   7  13.903   2.627 -11.240
   64    HD2  DAB   7           HZ2      DAB   7  12.975   1.431 -10.499
   65    HZ1  DAB   7           HZ1      DAB   7  13.857   1.022 -11.888
   66    H    4FO   8           H        4FO   8  11.093  -0.476 -13.475
   67    HA   4FO   8           HA       4FO   8   9.596  -1.925 -12.351
   68    HB2  4FO   8           HB2      4FO   8   7.349  -2.119 -13.230
   69    HB3  4FO   8           HB3      4FO   8   7.339  -0.412 -13.750
   70    HG3  4FO   8           HG3      4FO   8   8.475  -0.848 -15.786
   71    HG2  4FO   8           HG2      4FO   8   7.529  -2.359 -15.540
   72    HZ3  4FO   8           HZ3      4FO   8   9.364  -3.603 -15.222
   73    HZ2  4FO   8           HZ1      4FO   8  10.205  -2.307 -16.004
   74    HZ1  4FO   8           HZ2      4FO   8  10.156  -2.426 -14.313
   75    H    PHE   9           H        PHE   9   7.743  -1.996 -10.820
   76    HA   PHE   9           HA       PHE   9   6.966   0.500  -9.596
   77    HB2  PHE   9           HB2      PHE   9   6.471  -2.293  -8.556
   78    HB3  PHE   9           HB3      PHE   9   5.587  -0.826  -8.147
   79    HD1  PHE   9           HD2      PHE   9   5.094   0.375 -10.753
   80    HD2  PHE   9           HD1      PHE   9   4.950  -3.708  -9.558
   81    HE1  PHE   9           HE2      PHE   9   3.487  -0.092 -12.556
   82    HE2  PHE   9           HE1      PHE   9   3.342  -4.182 -11.359
   83    HZ   PHE   9           HZ       PHE   9   2.608  -2.373 -12.861
   84    H    GLU  10           H        GLU  10   7.623   1.306  -7.640
   85    HA   GLU  10           HA       GLU  10   9.784  -0.132  -6.256
   86    HB2  GLU  10           HB2      GLU  10  10.542   1.812  -7.756
   87    HB3  GLU  10           HB3      GLU  10   9.776   2.861  -6.571
   88    HG2  GLU  10           HG2      GLU  10  11.924   2.858  -5.809
   89    HG3  GLU  10           HG3      GLU  10  11.248   1.524  -4.876
   90    H    VAL  11           H        VAL  11   7.355  -0.480  -5.295
   91    HA   VAL  11           HA       VAL  11   7.006   1.485  -3.131
   92    HB   VAL  11           HB       VAL  11   4.748   0.386  -2.839
   93   HG11  VAL  11          HG11      VAL  11   4.187   2.268  -3.881
   94   HG12  VAL  11          HG12      VAL  11   5.655   2.233  -4.860
   95   HG13  VAL  11          HG13      VAL  11   4.216   1.364  -5.395
   96   HG21  VAL  11          HG21      VAL  11   5.435  -0.819  -5.518
   97   HG22  VAL  11          HG22      VAL  11   5.252  -1.705  -4.005
   98   HG23  VAL  11          HG23      VAL  11   3.862  -0.891  -4.724
   99    H    28J  12           H        28J  12   7.453  -1.895  -3.914
  100    HA   28J  12           HA       28J  12   7.983  -2.545  -0.998
  101    H22  28J  12           HB       28J  12   9.299  -4.399  -1.698
  102    H23  28J  12          HG21      28J  12   9.359  -4.500  -4.551
  103    H24  28J  12          HG22      28J  12   8.557  -5.667  -3.470
  104    H25  28J  12          HG23      28J  12   7.616  -4.300  -4.160
  105    H26  28J  12          HG12      28J  12  10.058  -2.371  -3.868
  106    H27  28J  12          HG13      28J  12  10.098  -1.890  -2.141
  107    H28  28J  12          HD13      28J  12  11.486  -4.524  -2.756
  108    H29  28J  12          HD11      28J  12  12.238  -3.052  -3.442
  109    H30  28J  12          HD12      28J  12  11.973  -3.170  -1.668
  110    H    ALA  13           H        ALA  13   5.346  -2.164  -2.009
  111    HA   ALA  13           HA       ALA  13   3.285  -3.087  -1.724
  112    HB1  ALA  13           HB1      ALA  13   4.159  -4.336  -3.776
  113    HB2  ALA  13           HB2      ALA  13   4.421  -5.695  -2.681
  114    HB3  ALA  13           HB3      ALA  13   2.797  -5.046  -2.908
  Start of MODEL    4
    1    H1   4N3   1           H        DVA   1   2.961   2.183  -1.781
    2    HA   4N3   1           HA       DVA   1   3.681   3.835   0.524
    3    HB   4N3   1           HB       DVA   1   2.021   5.560  -0.120
    4   HG13  4N3   1          HG13      DVA   1   0.213   4.596   1.041
    5   HG11  4N3   1          HG11      DVA   1   1.653   3.789   1.662
    6   HG12  4N3   1          HG12      DVA   1   0.620   2.971   0.487
    7   HG22  4N3   1          HG22      DVA   1   0.893   5.423  -2.029
    8   HG23  4N3   1          HG23      DVA   1   0.158   3.907  -1.506
    9   HG21  4N3   1          HG21      DVA   1   1.691   3.889  -2.378
   10    HD2  4N3   1           HD2      DVA   1   2.474  -0.025  -1.423
   11    HD1  4N3   1           HD1      DVA   1   4.032  -0.348  -0.626
   12    HE1  4N3   1           HE1      DVA   1   2.328  -1.954   0.171
   13    HE2  4N3   1           HE2      DVA   1   2.805  -0.869   1.498
   14    HF2  4N3   1           HF2      DVA   1   0.402  -0.284  -0.286
   15    HF1  4N3   1           HF1      DVA   1   0.794   0.425   1.299
   16    HH1  4N3   1           HH1      DVA   1   0.401  -2.568   1.066
   17    HH2  4N3   1           HH2      DVA   1  -1.023  -1.502   1.135
   18    HI1  4N3   1           HI1      DVA   1   0.112  -2.456   3.377
   19    HI2  4N3   1           HI2      DVA   1   1.179  -1.050   3.145
   20    HJ1  4N3   1           HJ1      DVA   1  -1.875  -0.995   3.306
   21    HJ2  4N3   1           HJ2      DVA   1  -0.848   0.421   2.979
   22    HK3  4N3   1           HK3      DVA   1  -0.301   0.652   5.178
   23    HK2  4N3   1           HK2      DVA   1   0.038  -1.086   5.354
   24    HK1  4N3   1           HK1      DVA   1  -1.630  -0.483   5.515
   25    H    4FO   2           H        4FO   2   5.059   2.830  -1.847
   26    HA   4FO   2           HA       4FO   2   6.757   3.589  -3.311
   27    HB2  4FO   2           HB2      4FO   2   7.784   5.679  -2.867
   28    HB3  4FO   2           HB3      4FO   2   6.227   6.457  -2.474
   29    HG3  4FO   2           HG3      4FO   2   7.683   4.473  -0.573
   30    HG2  4FO   2           HG2      4FO   2   6.152   5.363  -0.256
   31    HZ3  4FO   2           HZ3      4FO   2   8.701   6.824  -0.862
   32    HZ2  4FO   2           HZ1      4FO   2   7.237   7.425  -0.161
   33    HZ1  4FO   2           HZ2      4FO   2   8.237   6.352   0.688
   34    H    GLY   3           H        GLY   3   6.970   4.337  -5.382
   35    HA2  GLY   3           HA2      GLY   3   5.234   4.316  -7.257
   36    HA3  GLY   3           HA3      GLY   3   4.664   5.795  -6.499
   37    H    SER   4           H        SER   4   7.011   4.366  -8.572
   38    HA   SER   4           HA       SER   4   8.243   7.013  -8.983
   39    HB2  SER   4           HB2      SER   4  10.301   5.917  -9.610
   40    HB3  SER   4           HB3      SER   4   9.787   5.271  -8.052
   41    HG   SER   4           HG       SER   4  10.113   3.999 -10.435
   42    H    TRP   5           H        TRP   5   9.300   7.102 -11.261
   43    HA   TRP   5           HA       TRP   5   7.175   6.517 -13.159
   44    HB2  TRP   5           HB2      TRP   5   7.955   8.729 -13.358
   45    HB3  TRP   5           HB3      TRP   5   9.643   8.237 -13.243
   46    HD1  TRP   5           HD1      TRP   5   6.872   7.069 -15.708
   47    HE1  TRP   5           HE1      TRP   5   7.772   7.367 -18.100
   48    HE3  TRP   5           HE3      TRP   5  11.408   9.157 -14.613
   49    HZ2  TRP   5           HZ2      TRP   5  10.098   8.356 -19.358
   50    HZ3  TRP   5           HZ3      TRP   5  12.912   9.749 -16.468
   51    HH2  TRP   5           HH2      TRP   5  12.269   9.356 -18.791
   52    H    SER   6           H        SER   6  10.713   6.400 -13.539
   53    HA   SER   6           HA       SER   6  10.581   4.363 -15.511
   54    HB2  SER   6           HB2      SER   6  12.425   6.081 -15.250
   55    HB3  SER   6           HB3      SER   6  13.016   5.126 -13.891
   56    HG   SER   6           HG       SER   6  12.569   3.958 -16.420
   57    H    DAB   7           H        DAB   7  11.553   2.263 -15.415
   58    HA   DAB   7           HA       DAB   7  11.758   0.062 -14.554
   59    HB2  DAB   7           HB2      DAB   7  12.879  -0.089 -12.273
   60    HB3  DAB   7           HB3      DAB   7  12.655   1.672 -12.093
   61    HG2  DAB   7           HG2      DAB   7  14.141   2.008 -14.167
   62    HG3  DAB   7           HG3      DAB   7  14.569   0.261 -14.086
   63    HD1  DAB   7           HZ3      DAB   7  15.712   2.413 -12.673
   64    HD2  DAB   7           HZ2      DAB   7  14.811   1.573 -11.524
   65    HZ1  DAB   7           HZ1      DAB   7  16.001   0.730 -12.389
   66    H    4FO   8           H        4FO   8   9.184   0.941 -14.565
   67    HA   4FO   8           HA       4FO   8   7.762  -0.759 -12.697
   68    HB2  4FO   8           HB2      4FO   8   5.719   0.547 -13.393
   69    HB3  4FO   8           HB3      4FO   8   6.779   1.759 -14.162
   70    HG3  4FO   8           HG3      4FO   8   6.910  -1.144 -15.186
   71    HG2  4FO   8           HG2      4FO   8   7.294   0.409 -16.010
   72    HZ3  4FO   8           HZ3      4FO   8   4.754  -0.950 -15.881
   73    HZ2  4FO   8           HZ1      4FO   8   4.637   0.720 -15.438
   74    HZ1  4FO   8           HZ2      4FO   8   5.326   0.251 -16.914
   75    H    PHE   9           H        PHE   9   6.840  -0.433 -10.758
   76    HA   PHE   9           HA       PHE   9   7.038   2.210  -9.518
   77    HB2  PHE   9           HB2      PHE   9   5.660  -0.229  -8.394
   78    HB3  PHE   9           HB3      PHE   9   5.436   1.451  -7.917
   79    HD1  PHE   9           HD2      PHE   9   5.120   2.808 -10.473
   80    HD2  PHE   9           HD1      PHE   9   3.616  -0.957  -9.177
   81    HE1  PHE   9           HE2      PHE   9   3.254   3.010 -12.063
   82    HE2  PHE   9           HE1      PHE   9   1.748  -0.762 -10.766
   83    HZ   PHE   9           HZ       PHE   9   1.564   1.224 -12.211
   84    H    GLU  10           H        GLU  10   7.605   2.224  -7.146
   85    HA   GLU  10           HA       GLU  10   9.720   0.264  -6.553
   86    HB2  GLU  10           HB2      GLU  10  10.456   2.642  -7.324
   87    HB3  GLU  10           HB3      GLU  10   9.964   3.132  -5.709
   88    HG2  GLU  10           HG2      GLU  10  12.274   2.731  -5.592
   89    HG3  GLU  10           HG3      GLU  10  11.503   1.345  -4.824
   90    H    VAL  11           H        VAL  11   6.892   0.521  -5.687
   91    HA   VAL  11           HA       VAL  11   6.741   1.487  -3.046
   92    HB   VAL  11           HB       VAL  11   4.742  -0.028  -2.847
   93   HG11  VAL  11          HG11      VAL  11   5.121   2.295  -4.370
   94   HG12  VAL  11          HG12      VAL  11   4.081   1.244  -5.335
   95   HG13  VAL  11          HG13      VAL  11   3.611   1.686  -3.693
   96   HG21  VAL  11          HG21      VAL  11   4.758  -0.597  -5.725
   97   HG22  VAL  11          HG22      VAL  11   5.947  -1.501  -4.788
   98   HG23  VAL  11          HG23      VAL  11   4.236  -1.600  -4.372
   99    H    28J  12           H        28J  12   8.012  -1.404  -4.429
  100    HA   28J  12           HA       28J  12   9.372  -2.396  -2.087
  101    H22  28J  12           HB       28J  12   9.938  -3.070  -4.413
  102    H23  28J  12          HG21      28J  12  10.816  -4.524  -2.655
  103    H24  28J  12          HG22      28J  12   9.241  -5.312  -2.390
  104    H25  28J  12          HG23      28J  12  10.148  -5.623  -3.910
  105    H26  28J  12          HG12      28J  12   7.308  -4.698  -4.316
  106    H27  28J  12          HG13      28J  12   7.596  -3.214  -5.282
  107    H28  28J  12          HD13      28J  12   8.690  -6.035  -5.753
  108    H29  28J  12          HD11      28J  12   8.007  -4.852  -6.910
  109    H30  28J  12          HD12      28J  12   9.678  -4.622  -6.287
  110    H    ALA  13           H        ALA  13   6.057  -2.805  -3.080
  111    HA   ALA  13           HA       ALA  13   4.252  -3.631  -1.963
  112    HB1  ALA  13           HB1      ALA  13   4.710  -5.866  -0.763
  113    HB2  ALA  13           HB2      ALA  13   4.929  -5.786  -2.511
  114    HB3  ALA  13           HB3      ALA  13   6.331  -5.723  -1.443
  Start of MODEL    5
    1    H1   4N3   1           H        DVA   1   3.583   2.683  -0.977
    2    HA   4N3   1           HA       DVA   1   5.256   3.193   1.377
    3    HB   4N3   1           HB       DVA   1   4.202   5.447   1.623
    4   HG13  4N3   1          HG13      DVA   1   2.848   2.878   2.225
    5   HG11  4N3   1          HG11      DVA   1   1.942   4.364   2.510
    6   HG12  4N3   1          HG12      DVA   1   3.490   4.106   3.318
    7   HG22  4N3   1          HG22      DVA   1   1.729   4.553   0.298
    8   HG23  4N3   1          HG23      DVA   1   3.059   4.975  -0.780
    9   HG21  4N3   1          HG21      DVA   1   2.459   6.156   0.385
   10    HD2  4N3   1           HD2      DVA   1   2.813   0.676  -1.319
   11    HD1  4N3   1           HD1      DVA   1   3.606  -0.627  -0.403
   12    HE1  4N3   1           HE1      DVA   1   1.367  -1.026   0.153
   13    HE2  4N3   1           HE2      DVA   1   1.833   0.073   1.473
   14    HF2  4N3   1           HF2      DVA   1   0.828   1.306  -1.086
   15    HF1  4N3   1           HF1      DVA   1   0.631   1.862   0.594
   16    HH1  4N3   1           HH1      DVA   1  -1.541   1.085  -0.114
   17    HH2  4N3   1           HH2      DVA   1  -0.888  -0.180   0.953
   18    HI1  4N3   1           HI1      DVA   1   0.096  -1.090  -1.395
   19    HI2  4N3   1           HI2      DVA   1  -1.535  -1.522  -0.828
   20    HJ1  4N3   1           HJ1      DVA   1  -2.149   0.796  -2.068
   21    HJ2  4N3   1           HJ2      DVA   1  -2.087  -0.750  -2.948
   22    HK3  4N3   1           HK3      DVA   1  -0.071   1.511  -2.911
   23    HK2  4N3   1           HK2      DVA   1  -0.733   0.619  -4.302
   24    HK1  4N3   1           HK1      DVA   1   0.478  -0.149  -3.246
   25    H    4FO   2           H        4FO   2   6.098   2.629  -1.206
   26    HA   4FO   2           HA       4FO   2   7.750   3.351  -2.740
   27    HB2  4FO   2           HB2      4FO   2   7.853   5.947  -1.067
   28    HB3  4FO   2           HB3      4FO   2   8.585   4.408  -0.539
   29    HG3  4FO   2           HG3      4FO   2   9.433   5.675  -3.232
   30    HG2  4FO   2           HG2      4FO   2  10.262   4.432  -2.229
   31    HZ3  4FO   2           HZ3      4FO   2  10.841   6.023  -0.578
   32    HZ2  4FO   2           HZ1      4FO   2  11.193   6.781  -2.094
   33    HZ1  4FO   2           HZ2      4FO   2   9.805   7.191  -1.212
   34    H    GLY   3           H        GLY   3   7.887   4.447  -4.657
   35    HA2  GLY   3           HA2      GLY   3   5.732   5.205  -6.033
   36    HA3  GLY   3           HA3      GLY   3   6.100   6.688  -5.164
   37    H    SER   4           H        SER   4   6.329   5.493  -8.079
   38    HA   SER   4           HA       SER   4   8.543   7.166  -8.813
   39    HB2  SER   4           HB2      SER   4  10.059   5.569  -9.607
   40    HB3  SER   4           HB3      SER   4   9.512   4.866  -8.085
   41    HG   SER   4           HG       SER   4   7.915   3.727  -9.438
   42    H    TRP   5           H        TRP   5   8.744   7.425 -11.118
   43    HA   TRP   5           HA       TRP   5   6.194   7.025 -12.459
   44    HB2  TRP   5           HB2      TRP   5   6.988   9.227 -12.711
   45    HB3  TRP   5           HB3      TRP   5   8.631   8.689 -13.048
   46    HD1  TRP   5           HD1      TRP   5   5.295   7.759 -14.815
   47    HE1  TRP   5           HE1      TRP   5   5.590   8.201 -17.333
   48    HE3  TRP   5           HE3      TRP   5  10.041   9.659 -14.755
   49    HZ2  TRP   5           HZ2      TRP   5   7.573   9.219 -19.065
   50    HZ3  TRP   5           HZ3      TRP   5  11.064  10.343 -16.885
   51    HH2  TRP   5           HH2      TRP   5   9.854  10.127 -18.995
   52    H    SER   6           H        SER   6   9.522   6.852 -13.712
   53    HA   SER   6           HA       SER   6   8.831   4.964 -15.714
   54    HB2  SER   6           HB2      SER   6  11.377   6.171 -14.716
   55    HB3  SER   6           HB3      SER   6  11.469   4.738 -15.740
   56    HG   SER   6           HG       SER   6  11.515   6.679 -16.959
   57    H    DAB   7           H        DAB   7  10.013   2.882 -15.992
   58    HA   DAB   7           HA       DAB   7  10.306   0.615 -15.337
   59    HB2  DAB   7           HB2      DAB   7  12.401   1.945 -14.432
   60    HB3  DAB   7           HB3      DAB   7  12.071   0.272 -13.907
   61    HG2  DAB   7           HG2      DAB   7  10.985   1.260 -11.770
   62    HG3  DAB   7           HG3      DAB   7  11.711   2.845 -12.219
   63    HD1  DAB   7           HZ3      DAB   7  12.915   0.570 -10.954
   64    HD2  DAB   7           HZ2      DAB   7  13.684   0.812 -12.434
   65    HZ1  DAB   7           HZ1      DAB   7  13.646   2.095 -11.325
   66    H    4FO   8           H        4FO   8  10.342  -0.799 -13.136
   67    HA   4FO   8           HA       4FO   8   8.928  -1.970 -11.640
   68    HB2  4FO   8           HB2      4FO   8   6.446  -1.754 -12.061
   69    HB3  4FO   8           HB3      4FO   8   6.769  -0.347 -13.109
   70    HG3  4FO   8           HG3      4FO   8   7.491  -1.662 -14.942
   71    HG2  4FO   8           HG2      4FO   8   6.273  -2.734 -14.163
   72    HZ3  4FO   8           HZ3      4FO   8   9.243  -2.975 -13.760
   73    HZ2  4FO   8           HZ1      4FO   8   8.019  -3.988 -13.070
   74    HZ1  4FO   8           HZ2      4FO   8   8.267  -3.932 -14.746
   75    H    PHE   9           H        PHE   9   6.925  -1.530 -10.078
   76    HA   PHE   9           HA       PHE   9   6.922   1.108  -8.924
   77    HB2  PHE   9           HB2      PHE   9   5.753  -1.405  -7.725
   78    HB3  PHE   9           HB3      PHE   9   5.297   0.261  -7.386
   79    HD1  PHE   9           HD2      PHE   9   5.033   1.410 -10.048
   80    HD2  PHE   9           HD1      PHE   9   3.879  -2.423  -8.602
   81    HE1  PHE   9           HE2      PHE   9   3.290   1.286 -11.780
   82    HE2  PHE   9           HE1      PHE   9   2.135  -2.555 -10.333
   83    HZ   PHE   9           HZ       PHE   9   1.838  -0.698 -11.924
   84    H    GLU  10           H        GLU  10   8.017   1.822  -7.179
   85    HA   GLU  10           HA       GLU  10   9.924  -0.051  -5.950
   86    HB2  GLU  10           HB2      GLU  10  10.020   2.953  -6.252
   87    HB3  GLU  10           HB3      GLU  10  11.176   2.028  -5.303
   88    HG2  GLU  10           HG2      GLU  10  10.684   1.564  -8.231
   89    HG3  GLU  10           HG3      GLU  10  11.927   2.647  -7.606
   90    H    VAL  11           H        VAL  11   7.331  -0.130  -5.012
   91    HA   VAL  11           HA       VAL  11   7.390   1.388  -2.496
   92    HB   VAL  11           HB       VAL  11   5.000   0.631  -2.273
   93   HG11  VAL  11          HG11      VAL  11   6.131   2.609  -4.037
   94   HG12  VAL  11          HG12      VAL  11   4.558   2.066  -4.624
   95   HG13  VAL  11          HG13      VAL  11   4.716   2.716  -2.992
   96   HG21  VAL  11          HG21      VAL  11   4.821   0.095  -5.159
   97   HG22  VAL  11          HG22      VAL  11   5.606  -1.165  -4.206
   98   HG23  VAL  11          HG23      VAL  11   3.966  -0.652  -3.810
   99    H    28J  12           H        28J  12   7.613  -1.759  -3.880
  100    HA   28J  12           HA       28J  12   7.858  -3.033  -1.137
  101    H22  28J  12           HB       28J  12   9.128  -4.797  -2.136
  102    H23  28J  12          HG21      28J  12   9.526  -4.313  -4.886
  103    H24  28J  12          HG22      28J  12   8.420  -5.536  -4.210
  104    H25  28J  12          HG23      28J  12   7.783  -3.923  -4.682
  105    H26  28J  12          HG12      28J  12  10.210  -2.369  -3.665
  106    H27  28J  12          HG13      28J  12  10.102  -2.330  -1.875
  107    H28  28J  12          HD13      28J  12  12.371  -3.162  -2.937
  108    H29  28J  12          HD11      28J  12  11.677  -4.111  -1.588
  109    H30  28J  12          HD12      28J  12  11.490  -4.699  -3.276
  110    H    ALA  13           H        ALA  13   5.342  -2.289  -2.355
  111    HA   ALA  13           HA       ALA  13   3.226  -3.129  -2.402
  112    HB1  ALA  13           HB1      ALA  13   4.372  -4.056  -4.565
  113    HB2  ALA  13           HB2      ALA  13   4.205  -5.607  -3.741
  114    HB3  ALA  13           HB3      ALA  13   2.776  -4.631  -4.081
  Start of MODEL    6
    1    H1   4N3   1           H        DVA   1   3.399   2.334  -1.827
    2    HA   4N3   1           HA       DVA   1   5.157   2.530   0.529
    3    HB   4N3   1           HB       DVA   1   4.727   5.006   0.479
    4   HG13  4N3   1          HG13      DVA   1   3.706   3.835   2.230
    5   HG11  4N3   1          HG11      DVA   1   2.561   3.039   1.150
    6   HG12  4N3   1          HG12      DVA   1   2.393   4.760   1.500
    7   HG22  4N3   1          HG22      DVA   1   2.553   4.144  -1.422
    8   HG23  4N3   1          HG23      DVA   1   3.849   5.303  -1.719
    9   HG21  4N3   1          HG21      DVA   1   2.560   5.693  -0.580
   10    HD2  4N3   1           HD2      DVA   1   2.020   0.547  -1.944
   11    HD1  4N3   1           HD1      DVA   1   2.360  -0.854  -0.901
   12    HE1  4N3   1           HE1      DVA   1   1.155   1.670   0.280
   13    HE2  4N3   1           HE2      DVA   1   0.116   0.486  -0.548
   14    HF2  4N3   1           HF2      DVA   1   1.938  -0.032   1.852
   15    HF1  4N3   1           HF1      DVA   1   1.085  -1.311   0.955
   16    HH1  4N3   1           HH1      DVA   1  -1.047  -0.548   1.645
   17    HH2  4N3   1           HH2      DVA   1  -0.439   1.075   2.050
   18    HI1  4N3   1           HI1      DVA   1  -0.076  -1.522   3.594
   19    HI2  4N3   1           HI2      DVA   1   1.006  -0.133   3.853
   20    HJ1  4N3   1           HJ1      DVA   1  -1.059   1.293   4.259
   21    HJ2  4N3   1           HJ2      DVA   1  -0.802   0.022   5.479
   22    HK3  4N3   1           HK3      DVA   1  -2.348  -1.060   3.273
   23    HK2  4N3   1           HK2      DVA   1  -3.120   0.434   3.855
   24    HK1  4N3   1           HK1      DVA   1  -2.811  -0.907   4.985
   25    H    4FO   2           H        4FO   2   4.489   3.569  -2.777
   26    HA   4FO   2           HA       4FO   2   7.254   3.239  -3.658
   27    HB2  4FO   2           HB2      4FO   2   7.190   5.875  -4.449
   28    HB3  4FO   2           HB3      4FO   2   6.292   6.008  -2.913
   29    HG3  4FO   2           HG3      4FO   2   8.202   5.480  -1.562
   30    HG2  4FO   2           HG2      4FO   2   8.860   6.481  -2.905
   31    HZ3  4FO   2           HZ3      4FO   2   9.839   4.653  -3.948
   32    HZ2  4FO   2           HZ1      4FO   2  10.084   4.295  -2.272
   33    HZ1  4FO   2           HZ2      4FO   2   8.859   3.531  -3.161
   34    H    GLY   3           H        GLY   3   7.504   4.060  -5.964
   35    HA2  GLY   3           HA2      GLY   3   6.093   2.851  -7.777
   36    HA3  GLY   3           HA3      GLY   3   4.925   4.101  -7.374
   37    H    SER   4           H        SER   4   8.389   3.842  -8.187
   38    HA   SER   4           HA       SER   4   8.560   6.459  -9.248
   39    HB2  SER   4           HB2      SER   4  10.514   5.132  -8.448
   40    HB3  SER   4           HB3      SER   4  10.345   4.090  -9.860
   41    HG   SER   4           HG       SER   4  11.541   6.493  -9.657
   42    H    TRP   5           H        TRP   5   8.925   7.066 -11.470
   43    HA   TRP   5           HA       TRP   5   7.127   5.648 -13.263
   44    HB2  TRP   5           HB2      TRP   5   6.749   7.971 -13.288
   45    HB3  TRP   5           HB3      TRP   5   8.471   8.339 -13.341
   46    HD1  TRP   5           HD1      TRP   5   6.326   6.132 -15.717
   47    HE1  TRP   5           HE1      TRP   5   6.710   6.964 -18.122
   48    HE3  TRP   5           HE3      TRP   5   9.430  10.072 -14.727
   49    HZ2  TRP   5           HZ2      TRP   5   8.139   9.018 -19.427
   50    HZ3  TRP   5           HZ3      TRP   5  10.262  11.420 -16.610
   51    HH2  TRP   5           HH2      TRP   5   9.629  10.902 -18.910
   52    H    SER   6           H        SER   6  10.242   7.252 -13.897
   53    HA   SER   6           HA       SER   6  10.853   5.396 -15.998
   54    HB2  SER   6           HB2      SER   6  11.563   7.710 -16.213
   55    HB3  SER   6           HB3      SER   6  12.507   7.592 -14.728
   56    HG   SER   6           HG       SER   6  13.797   7.345 -16.612
   57    H    DAB   7           H        DAB   7  10.559   3.588 -14.376
   58    HA   DAB   7           HA       DAB   7  13.047   2.193 -14.081
   59    HB2  DAB   7           HB2      DAB   7  12.499   2.208 -11.292
   60    HB3  DAB   7           HB3      DAB   7  12.307   3.915 -11.773
   61    HG2  DAB   7           HG2      DAB   7  14.631   3.113 -10.885
   62    HG3  DAB   7           HG3      DAB   7  14.623   4.190 -12.326
   63    HD1  DAB   7           HZ3      DAB   7  15.968   1.836 -12.133
   64    HD2  DAB   7           HZ2      DAB   7  14.527   1.279 -12.805
   65    HZ1  DAB   7           HZ1      DAB   7  15.405   2.461 -13.646
   66    H    4FO   8           H        4FO   8   9.891   2.572 -12.402
   67    HA   4FO   8           HA       4FO   8   9.592  -0.421 -12.225
   68    HB2  4FO   8           HB2      4FO   8   7.372  -0.462 -13.243
   69    HB3  4FO   8           HB3      4FO   8   7.350   1.317 -13.379
   70    HG3  4FO   8           HG3      4FO   8   9.314  -0.413 -15.048
   71    HG2  4FO   8           HG2      4FO   8   8.913   1.333 -15.225
   72    HZ3  4FO   8           HZ3      4FO   8   7.731  -0.544 -16.701
   73    HZ2  4FO   8           HZ1      4FO   8   6.582  -0.435 -15.410
   74    HZ1  4FO   8           HZ2      4FO   8   7.037   0.937 -16.296
   75    H    PHE   9           H        PHE   9   7.488  -0.917 -11.009
   76    HA   PHE   9           HA       PHE   9   6.618   1.118  -9.160
   77    HB2  PHE   9           HB2      PHE   9   6.011  -1.836  -9.028
   78    HB3  PHE   9           HB3      PHE   9   5.084  -0.513  -8.327
   79    HD1  PHE   9           HD2      PHE   9   4.864   1.375 -10.518
   80    HD2  PHE   9           HD1      PHE   9   4.640  -2.875 -10.560
   81    HE1  PHE   9           HE2      PHE   9   3.472   1.472 -12.545
   82    HE2  PHE   9           HE1      PHE   9   3.248  -2.785 -12.587
   83    HZ   PHE   9           HZ       PHE   9   2.661  -0.610 -13.581
   84    H    GLU  10           H        GLU  10   7.264   1.424  -7.105
   85    HA   GLU  10           HA       GLU  10   9.143  -0.523  -5.945
   86    HB2  GLU  10           HB2      GLU  10  10.052   1.784  -6.884
   87    HB3  GLU  10           HB3      GLU  10   9.466   2.380  -5.337
   88    HG2  GLU  10           HG2      GLU  10  11.682   1.882  -4.911
   89    HG3  GLU  10           HG3      GLU  10  10.830   0.459  -4.314
   90    H    VAL  11           H        VAL  11   6.236  -0.034  -5.576
   91    HA   VAL  11           HA       VAL  11   5.695   1.297  -3.176
   92    HB   VAL  11           HB       VAL  11   3.688  -0.242  -3.041
   93   HG11  VAL  11          HG11      VAL  11   3.440   1.879  -4.086
   94   HG12  VAL  11          HG12      VAL  11   4.260   1.327  -5.547
   95   HG13  VAL  11          HG13      VAL  11   2.666   0.694  -5.137
   96   HG21  VAL  11          HG21      VAL  11   4.667  -1.216  -5.719
   97   HG22  VAL  11          HG22      VAL  11   4.830  -2.135  -4.222
   98   HG23  VAL  11          HG23      VAL  11   3.228  -1.738  -4.843
   99    H    28J  12           H        28J  12   6.950  -1.882  -3.863
  100    HA   28J  12           HA       28J  12   8.070  -2.446  -1.272
  101    H22  28J  12           HB       28J  12   8.292  -4.752  -1.991
  102    H23  28J  12          HG21      28J  12   7.149  -5.148  -4.497
  103    H24  28J  12          HG22      28J  12   6.381  -5.651  -2.970
  104    H25  28J  12          HG23      28J  12   5.902  -4.099  -3.739
  105    H26  28J  12          HG12      28J  12   8.620  -2.874  -4.428
  106    H27  28J  12          HG13      28J  12   9.740  -2.967  -3.029
  107    H28  28J  12          HD13      28J  12  10.612  -5.081  -3.664
  108    H29  28J  12          HD11      28J  12   9.116  -5.567  -4.518
  109    H30  28J  12          HD12      28J  12  10.228  -4.378  -5.281
  110    H    ALA  13           H        ALA  13   4.794  -2.849  -2.406
  111    HA   ALA  13           HA       ALA  13   2.865  -3.281  -1.275
  112    HB1  ALA  13           HB1      ALA  13   3.336  -5.538  -1.273
  113    HB2  ALA  13           HB2      ALA  13   4.742  -5.353  -0.223
  114    HB3  ALA  13           HB3      ALA  13   3.117  -5.216   0.448
  Start of MODEL    7
    1    H1   4N3   1           H        DVA   1   2.978   3.016  -2.283
    2    HA   4N3   1           HA       DVA   1   3.976   4.154   0.247
    3    HB   4N3   1           HB       DVA   1   2.920   6.266  -0.390
    4   HG13  4N3   1          HG13      DVA   1   1.613   4.827   0.992
    5   HG11  4N3   1          HG11      DVA   1   1.113   3.856  -0.392
    6   HG12  4N3   1          HG12      DVA   1   0.535   5.515  -0.225
    7   HG22  4N3   1          HG22      DVA   1   2.642   4.908  -2.938
    8   HG23  4N3   1          HG23      DVA   1   2.553   6.628  -2.560
    9   HG21  4N3   1          HG21      DVA   1   1.121   5.612  -2.390
   10    HD2  4N3   1           HD2      DVA   1   2.354   0.881  -2.264
   11    HD1  4N3   1           HD1      DVA   1   3.148  -0.197  -1.092
   12    HE1  4N3   1           HE1      DVA   1   0.640   1.488  -0.609
   13    HE2  4N3   1           HE2      DVA   1   0.713  -0.284  -0.750
   14    HF2  4N3   1           HF2      DVA   1   1.932   1.454   1.447
   15    HF1  4N3   1           HF1      DVA   1   2.308  -0.274   1.246
   16    HH1  4N3   1           HH1      DVA   1   0.525  -0.399   2.758
   17    HH2  4N3   1           HH2      DVA   1  -0.350  -0.514   1.213
   18    HI1  4N3   1           HI1      DVA   1   0.119   2.070   2.784
   19    HI2  4N3   1           HI2      DVA   1  -0.799   1.920   1.265
   20    HJ1  4N3   1           HJ1      DVA   1  -2.280   1.954   3.305
   21    HJ2  4N3   1           HJ2      DVA   1  -1.492   0.457   3.859
   22    HK3  4N3   1           HK3      DVA   1  -2.565  -0.846   2.291
   23    HK2  4N3   1           HK2      DVA   1  -2.512   0.426   1.047
   24    HK1  4N3   1           HK1      DVA   1  -3.755   0.479   2.320
   25    H    4FO   2           H        4FO   2   5.391   3.019  -2.152
   26    HA   4FO   2           HA       4FO   2   7.460   3.396  -3.239
   27    HB2  4FO   2           HB2      4FO   2   8.975   4.990  -2.305
   28    HB3  4FO   2           HB3      4FO   2   7.652   6.095  -1.845
   29    HG3  4FO   2           HG3      4FO   2   7.127   4.871   0.175
   30    HG2  4FO   2           HG2      4FO   2   8.923   4.914   0.067
   31    HZ3  4FO   2           HZ3      4FO   2   8.945   2.715   0.213
   32    HZ2  4FO   2           HZ1      4FO   2   7.220   2.605   0.109
   33    HZ1  4FO   2           HZ2      4FO   2   8.183   2.619  -1.287
   34    H    GLY   3           H        GLY   3   8.246   4.362  -5.072
   35    HA2  GLY   3           HA2      GLY   3   6.318   5.889  -6.563
   36    HA3  GLY   3           HA3      GLY   3   7.749   6.820  -6.145
   37    H    SER   4           H        SER   4   9.231   6.875  -7.683
   38    HA   SER   4           HA       SER   4  10.470   6.342  -9.516
   39    HB2  SER   4           HB2      SER   4  10.044   3.536  -8.462
   40    HB3  SER   4           HB3      SER   4  11.217   3.979  -9.702
   41    HG   SER   4           HG       SER   4  12.024   5.508  -8.031
   42    H    TRP   5           H        TRP   5   9.100   7.011 -11.135
   43    HA   TRP   5           HA       TRP   5   7.055   5.211 -12.137
   44    HB2  TRP   5           HB2      TRP   5   6.355   7.458 -12.144
   45    HB3  TRP   5           HB3      TRP   5   7.885   8.024 -12.809
   46    HD1  TRP   5           HD1      TRP   5   5.412   5.356 -14.181
   47    HE1  TRP   5           HE1      TRP   5   4.838   5.992 -16.608
   48    HE3  TRP   5           HE3      TRP   5   8.058   9.717 -14.525
   49    HZ2  TRP   5           HZ2      TRP   5   5.430   8.068 -18.428
   50    HZ3  TRP   5           HZ3      TRP   5   8.002  10.967 -16.644
   51    HH2  TRP   5           HH2      TRP   5   6.715  10.157 -18.554
   52    H    SER   6           H        SER   6   9.504   7.111 -13.890
   53    HA   SER   6           HA       SER   6   9.635   5.157 -15.983
   54    HB2  SER   6           HB2      SER   6  11.062   7.745 -15.427
   55    HB3  SER   6           HB3      SER   6  11.589   6.689 -16.737
   56    HG   SER   6           HG       SER   6  10.007   7.451 -17.869
   57    H    DAB   7           H        DAB   7  10.160   3.437 -14.371
   58    HA   DAB   7           HA       DAB   7  12.874   2.518 -14.819
   59    HB2  DAB   7           HB2      DAB   7  12.281   3.735 -12.061
   60    HB3  DAB   7           HB3      DAB   7  13.683   3.963 -13.142
   61    HG2  DAB   7           HG2      DAB   7  14.615   1.780 -12.591
   62    HG3  DAB   7           HG3      DAB   7  13.164   1.290 -11.646
   63    HD1  DAB   7           HZ3      DAB   7  15.479   2.623 -10.747
   64    HD2  DAB   7           HZ2      DAB   7  14.269   3.796 -10.734
   65    HZ1  DAB   7           HZ1      DAB   7  14.022   2.374  -9.845
   66    H    4FO   8           H        4FO   8  10.059   2.278 -12.618
   67    HA   4FO   8           HA       4FO   8  10.430  -0.688 -12.330
   68    HB2  4FO   8           HB2      4FO   8   8.189  -1.282 -13.108
   69    HB3  4FO   8           HB3      4FO   8   7.761   0.437 -13.328
   70    HG3  4FO   8           HG3      4FO   8   8.281  -1.075 -15.480
   71    HG2  4FO   8           HG2      4FO   8   9.998  -0.771 -15.034
   72    HZ3  4FO   8           HZ3      4FO   8   8.720   0.876 -16.635
   73    HZ2  4FO   8           HZ1      4FO   8   8.283   1.626 -15.136
   74    HZ1  4FO   8           HZ2      4FO   8   9.908   1.381 -15.552
   75    H    PHE   9           H        PHE   9   8.116  -1.364 -11.130
   76    HA   PHE   9           HA       PHE   9   7.159   0.478  -9.218
   77    HB2  PHE   9           HB2      PHE   9   7.210  -2.522  -8.887
   78    HB3  PHE   9           HB3      PHE   9   6.067  -1.379  -8.190
   79    HD1  PHE   9           HD2      PHE   9   5.334   0.269 -10.477
   80    HD2  PHE   9           HD1      PHE   9   5.973  -3.932 -10.230
   81    HE1  PHE   9           HE2      PHE   9   3.828  -0.070 -12.394
   82    HE2  PHE   9           HE1      PHE   9   4.469  -4.277 -12.147
   83    HZ   PHE   9           HZ       PHE   9   3.393  -2.345 -13.230
   84    H    GLU  10           H        GLU  10   7.833   1.010  -7.210
   85    HA   GLU  10           HA       GLU  10  10.035  -0.490  -6.001
   86    HB2  GLU  10           HB2      GLU  10  10.076   2.414  -6.756
   87    HB3  GLU  10           HB3      GLU  10  11.014   1.840  -5.385
   88    HG2  GLU  10           HG2      GLU  10  11.255   0.573  -8.088
   89    HG3  GLU  10           HG3      GLU  10  12.174   2.012  -7.651
   90    H    VAL  11           H        VAL  11   7.140  -0.115  -5.473
   91    HA   VAL  11           HA       VAL  11   7.047   1.449  -3.032
   92    HB   VAL  11           HB       VAL  11   4.677   0.694  -2.919
   93   HG11  VAL  11          HG11      VAL  11   4.455   2.631  -3.997
   94   HG12  VAL  11          HG12      VAL  11   5.905   2.342  -4.961
   95   HG13  VAL  11          HG13      VAL  11   4.351   1.691  -5.485
   96   HG21  VAL  11          HG21      VAL  11   4.553  -0.294  -5.638
   97   HG22  VAL  11          HG22      VAL  11   5.547  -1.327  -4.611
   98   HG23  VAL  11          HG23      VAL  11   3.879  -0.978  -4.159
   99    H    28J  12           H        28J  12   7.521  -1.805  -4.039
  100    HA   28J  12           HA       28J  12   8.251  -2.872  -1.439
  101    H22  28J  12           HB       28J  12   8.941  -3.840  -3.661
  102    H23  28J  12          HG21      28J  12   8.840  -5.117  -1.314
  103    H24  28J  12          HG22      28J  12   7.492  -6.029  -2.038
  104    H25  28J  12          HG23      28J  12   9.113  -6.071  -2.812
  105    H26  28J  12          HG12      28J  12   6.056  -4.955  -3.754
  106    H27  28J  12          HG13      28J  12   6.675  -3.602  -4.756
  107    H28  28J  12          HD13      28J  12   7.401  -6.584  -4.940
  108    H29  28J  12          HD11      28J  12   6.904  -5.443  -6.226
  109    H30  28J  12          HD12      28J  12   8.559  -5.334  -5.532
  110    H    ALA  13           H        ALA  13   5.147  -2.471  -2.943
  111    HA   ALA  13           HA       ALA  13   3.048  -2.653  -2.072
  112    HB1  ALA  13           HB1      ALA  13   4.304  -5.281  -1.377
  113    HB2  ALA  13           HB2      ALA  13   2.640  -4.921  -0.913
  114    HB3  ALA  13           HB3      ALA  13   3.103  -4.911  -2.615
  Start of MODEL    8
    1    H1   4N3   1           H        DVA   1   3.775   1.923   0.002
    2    HA   4N3   1           HA       DVA   1   4.782   3.723   0.962
    3    HB   4N3   1           HB       DVA   1   2.582   5.364  -0.297
    4   HG13  4N3   1          HG13      DVA   1   3.422   7.087   0.824
    5   HG11  4N3   1          HG11      DVA   1   4.807   6.082   1.250
    6   HG12  4N3   1          HG12      DVA   1   3.415   6.168   2.330
    7   HG22  4N3   1          HG22      DVA   1   2.502   3.361   1.830
    8   HG23  4N3   1          HG23      DVA   1   1.189   4.079   0.899
    9   HG21  4N3   1          HG21      DVA   1   1.840   4.926   2.302
   10    HD2  4N3   1           HD2      DVA   1   2.553   1.408  -3.139
   11    HD1  4N3   1           HD1      DVA   1   2.936   0.645  -1.578
   12    HE1  4N3   1           HE1      DVA   1   0.359   2.191  -1.772
   13    HE2  4N3   1           HE2      DVA   1   0.436   0.617  -2.600
   14    HF2  4N3   1           HF2      DVA   1   1.523  -0.154  -0.269
   15    HF1  4N3   1           HF1      DVA   1  -0.244  -0.081  -0.479
   16    HH1  4N3   1           HH1      DVA   1   0.157   2.472   0.283
   17    HH2  4N3   1           HH2      DVA   1   1.581   1.748   1.068
   18    HI1  4N3   1           HI1      DVA   1  -0.107  -0.051   1.957
   19    HI2  4N3   1           HI2      DVA   1  -0.108   1.555   2.725
   20    HJ1  4N3   1           HJ1      DVA   1  -1.907   1.055   0.344
   21    HJ2  4N3   1           HJ2      DVA   1  -2.116   2.197   1.692
   22    HK3  4N3   1           HK3      DVA   1  -2.013  -0.652   2.526
   23    HK2  4N3   1           HK2      DVA   1  -3.402  -0.251   1.487
   24    HK1  4N3   1           HK1      DVA   1  -3.146   0.633   3.010
   25    H    4FO   2           H        4FO   2   6.166   2.984  -1.065
   26    HA   4FO   2           HA       4FO   2   7.846   3.643  -2.599
   27    HB2  4FO   2           HB2      4FO   2   7.249   6.523  -1.662
   28    HB3  4FO   2           HB3      4FO   2   8.082   5.327  -0.632
   29    HG3  4FO   2           HG3      4FO   2   9.159   6.392  -3.347
   30    HG2  4FO   2           HG2      4FO   2   9.919   5.107  -2.342
   31    HZ3  4FO   2           HZ3      4FO   2  10.205   6.665  -0.513
   32    HZ2  4FO   2           HZ1      4FO   2  10.888   7.345  -1.951
   33    HZ1  4FO   2           HZ2      4FO   2   9.391   7.874  -1.358
   34    H    GLY   3           H        GLY   3   8.294   5.047  -4.533
   35    HA2  GLY   3           HA2      GLY   3   5.816   5.195  -6.084
   36    HA3  GLY   3           HA3      GLY   3   6.804   6.646  -5.999
   37    H    SER   4           H        SER   4   8.452   6.877  -7.390
   38    HA   SER   4           HA       SER   4   9.813   6.481  -9.170
   39    HB2  SER   4           HB2      SER   4   9.878   3.702  -7.971
   40    HB3  SER   4           HB3      SER   4  10.970   4.280  -9.230
   41    HG   SER   4           HG       SER   4  11.914   4.495  -7.177
   42    H    TRP   5           H        TRP   5   8.411   6.804 -10.854
   43    HA   TRP   5           HA       TRP   5   6.754   4.595 -11.782
   44    HB2  TRP   5           HB2      TRP   5   5.597   6.644 -11.853
   45    HB3  TRP   5           HB3      TRP   5   6.978   7.501 -12.532
   46    HD1  TRP   5           HD1      TRP   5   5.131   4.336 -13.830
   47    HE1  TRP   5           HE1      TRP   5   4.454   4.768 -16.276
   48    HE3  TRP   5           HE3      TRP   5   6.805   9.143 -14.297
   49    HZ2  TRP   5           HZ2      TRP   5   4.611   6.870 -18.154
   50    HZ3  TRP   5           HZ3      TRP   5   6.504  10.293 -16.451
   51    HH2  TRP   5           HH2      TRP   5   5.430   9.178 -18.339
   52    H    SER   6           H        SER   6   8.758   6.921 -13.585
   53    HA   SER   6           HA       SER   6   9.305   5.003 -15.636
   54    HB2  SER   6           HB2      SER   6   9.179   7.252 -16.364
   55    HB3  SER   6           HB3      SER   6  10.274   7.808 -15.099
   56    HG   SER   6           HG       SER   6  11.612   7.677 -16.763
   57    H    DAB   7           H        DAB   7  10.165   3.370 -14.171
   58    HA   DAB   7           HA       DAB   7  12.982   2.995 -14.548
   59    HB2  DAB   7           HB2      DAB   7  12.213   4.217 -11.850
   60    HB3  DAB   7           HB3      DAB   7  13.593   4.555 -12.928
   61    HG2  DAB   7           HG2      DAB   7  14.550   3.538 -11.012
   62    HG3  DAB   7           HG3      DAB   7  14.575   2.222 -12.240
   63    HD1  DAB   7           HZ3      DAB   7  13.183   2.405  -9.676
   64    HD2  DAB   7           HZ2      DAB   7  12.140   1.978 -10.929
   65    HZ1  DAB   7           HZ1      DAB   7  13.505   1.012 -10.653
   66    H    4FO   8           H        4FO   8  10.195   2.273 -12.447
   67    HA   4FO   8           HA       4FO   8  11.142  -0.485 -11.834
   68    HB2  4FO   8           HB2      4FO   8   8.948  -1.502 -12.783
   69    HB3  4FO   8           HB3      4FO   8   8.737   0.031 -13.671
   70    HG3  4FO   8           HG3      4FO   8  10.640  -0.405 -15.143
   71    HG2  4FO   8           HG2      4FO   8   9.666  -1.915 -15.033
   72    HZ3  4FO   8           HZ3      4FO   8  11.235  -2.923 -13.578
   73    HZ2  4FO   8           HZ1      4FO   8  12.174  -2.185 -14.833
   74    HZ1  4FO   8           HZ2      4FO   8  12.045  -1.472 -13.300
   75    H    PHE   9           H        PHE   9   9.570  -1.633 -10.450
   76    HA   PHE   9           HA       PHE   9   7.764   0.180  -9.016
   77    HB2  PHE   9           HB2      PHE   9   7.968  -2.810  -8.667
   78    HB3  PHE   9           HB3      PHE   9   6.652  -1.752  -8.170
   79    HD1  PHE   9           HD2      PHE   9   6.204  -0.146 -10.569
   80    HD2  PHE   9           HD1      PHE   9   7.041  -4.300 -10.169
   81    HE1  PHE   9           HE2      PHE   9   5.052  -0.580 -12.699
   82    HE2  PHE   9           HE1      PHE   9   5.891  -4.741 -12.299
   83    HZ   PHE   9           HZ       PHE   9   4.893  -2.880 -13.566
   84    H    GLU  10           H        GLU  10   8.144   0.811  -6.974
   85    HA   GLU  10           HA       GLU  10  10.451  -0.387  -5.586
   86    HB2  GLU  10           HB2      GLU  10   9.651   2.441  -6.008
   87    HB3  GLU  10           HB3      GLU  10  10.315   2.033  -4.432
   88    HG2  GLU  10           HG2      GLU  10  12.136   0.849  -5.997
   89    HG3  GLU  10           HG3      GLU  10  11.622   2.149  -7.071
   90    H    VAL  11           H        VAL  11   7.188   0.840  -5.325
   91    HA   VAL  11           HA       VAL  11   6.807   0.905  -2.593
   92    HB   VAL  11           HB       VAL  11   4.417   0.218  -3.101
   93   HG11  VAL  11          HG11      VAL  11   4.812   2.514  -2.972
   94   HG12  VAL  11          HG12      VAL  11   5.791   2.523  -4.440
   95   HG13  VAL  11          HG13      VAL  11   4.044   2.308  -4.546
   96   HG21  VAL  11          HG21      VAL  11   5.406   0.314  -5.948
   97   HG22  VAL  11          HG22      VAL  11   4.964  -1.158  -5.082
   98   HG23  VAL  11          HG23      VAL  11   3.743   0.069  -5.417
   99    H    28J  12           H        28J  12   6.957  -1.825  -4.779
  100    HA   28J  12           HA       28J  12   7.583  -3.850  -2.812
  101    H22  28J  12           HB       28J  12   8.064  -4.181  -5.188
  102    H23  28J  12          HG21      28J  12   7.454  -6.524  -5.337
  103    H24  28J  12          HG22      28J  12   7.494  -6.185  -3.588
  104    H25  28J  12          HG23      28J  12   5.916  -6.279  -4.441
  105    H26  28J  12          HG12      28J  12   4.999  -4.059  -5.560
  106    H27  28J  12          HG13      28J  12   6.236  -2.938  -6.214
  107    H28  28J  12          HD13      28J  12   5.577  -5.791  -7.147
  108    H29  28J  12          HD11      28J  12   5.770  -4.287  -8.098
  109    H30  28J  12          HD12      28J  12   7.223  -5.110  -7.433
  110    H    ALA  13           H        ALA  13   4.533  -2.465  -3.699
  111    HA   ALA  13           HA       ALA  13   2.486  -2.639  -2.710
  112    HB1  ALA  13           HB1      ALA  13   1.483  -4.808  -2.737
  113    HB2  ALA  13           HB2      ALA  13   2.548  -4.684  -4.138
  114    HB3  ALA  13           HB3      ALA  13   3.061  -5.596  -2.718
  Start of MODEL    9
    1    H1   4N3   1           H        DVA   1   1.938   4.658  -0.315
    2    HA   4N3   1           HA       DVA   1   4.537   3.436  -0.372
    3    HB   4N3   1           HB       DVA   1   3.771   6.055   0.919
    4   HG13  4N3   1          HG13      DVA   1   5.898   6.135   1.544
    5   HG11  4N3   1          HG11      DVA   1   6.221   4.623   0.696
    6   HG12  4N3   1          HG12      DVA   1   5.702   4.594   2.382
    7   HG22  4N3   1          HG22      DVA   1   3.624   3.259   2.045
    8   HG23  4N3   1          HG23      DVA   1   2.260   4.320   1.694
    9   HG21  4N3   1          HG21      DVA   1   3.403   4.744   2.968
   10    HD2  4N3   1           HD2      DVA   1   2.959   1.229  -1.841
   11    HD1  4N3   1           HD1      DVA   1   2.412   1.732  -0.224
   12    HE1  4N3   1           HE1      DVA   1   0.083   1.758  -0.951
   13    HE2  4N3   1           HE2      DVA   1   0.561   1.487  -2.644
   14    HF2  4N3   1           HF2      DVA   1   1.759  -0.670  -1.585
   15    HF1  4N3   1           HF1      DVA   1   0.034  -0.701  -2.025
   16    HH1  4N3   1           HH1      DVA   1  -0.250   0.255   0.466
   17    HH2  4N3   1           HH2      DVA   1   1.314  -0.560   0.702
   18    HI1  4N3   1           HI1      DVA   1   0.137  -2.590  -0.511
   19    HI2  4N3   1           HI2      DVA   1  -0.221  -2.281   1.205
   20    HJ1  4N3   1           HJ1      DVA   1  -2.229  -2.660  -0.455
   21    HJ2  4N3   1           HJ2      DVA   1  -1.899  -0.988  -0.969
   22    HK3  4N3   1           HK3      DVA   1  -2.869  -2.013   1.703
   23    HK2  4N3   1           HK2      DVA   1  -3.429  -0.609   0.763
   24    HK1  4N3   1           HK1      DVA   1  -1.893  -0.525   1.660
   25    H    4FO   2           H        4FO   2   6.045   3.782  -1.794
   26    HA   4FO   2           HA       4FO   2   7.549   4.838  -3.287
   27    HB2  4FO   2           HB2      4FO   2   8.058   7.165  -2.963
   28    HB3  4FO   2           HB3      4FO   2   6.399   7.524  -2.410
   29    HG3  4FO   2           HG3      4FO   2   6.837   6.943  -0.170
   30    HG2  4FO   2           HG2      4FO   2   8.468   7.482  -0.708
   31    HZ3  4FO   2           HZ3      4FO   2   7.656   4.591  -0.748
   32    HZ2  4FO   2           HZ1      4FO   2   9.238   5.273  -0.923
   33    HZ1  4FO   2           HZ2      4FO   2   8.407   5.357   0.552
   34    H    GLY   3           H        GLY   3   7.602   5.574  -5.375
   35    HA2  GLY   3           HA2      GLY   3   5.022   5.658  -6.691
   36    HA3  GLY   3           HA3      GLY   3   5.952   7.144  -6.809
   37    H    SER   4           H        SER   4   5.299   4.233  -8.270
   38    HA   SER   4           HA       SER   4   7.841   3.622  -9.394
   39    HB2  SER   4           HB2      SER   4   6.292   2.379 -11.109
   40    HB3  SER   4           HB3      SER   4   6.396   1.802  -9.446
   41    HG   SER   4           HG       SER   4   4.241   2.578 -10.758
   42    H    TRP   5           H        TRP   5   8.659   5.554 -10.237
   43    HA   TRP   5           HA       TRP   5   7.185   6.891 -12.359
   44    HB2  TRP   5           HB2      TRP   5   8.270   8.423 -10.938
   45    HB3  TRP   5           HB3      TRP   5   9.754   7.475 -10.904
   46    HD1  TRP   5           HD1      TRP   5   7.785   8.902 -13.937
   47    HE1  TRP   5           HE1      TRP   5   9.430  10.271 -15.368
   48    HE3  TRP   5           HE3      TRP   5  11.966   8.441 -11.031
   49    HZ2  TRP   5           HZ2      TRP   5  12.141  11.051 -15.277
   50    HZ3  TRP   5           HZ3      TRP   5  14.044   9.529 -11.775
   51    HH2  TRP   5           HH2      TRP   5  14.128  10.805 -13.854
   52    H    SER   6           H        SER   6  10.613   5.950 -12.153
   53    HA   SER   6           HA       SER   6  10.747   5.550 -14.992
   54    HB2  SER   6           HB2      SER   6  13.102   4.653 -14.318
   55    HB3  SER   6           HB3      SER   6  12.750   6.370 -14.120
   56    HG   SER   6           HG       SER   6  13.092   4.384 -12.197
   57    H    DAB   7           H        DAB   7   8.880   3.969 -14.735
   58    HA   DAB   7           HA       DAB   7   8.045   1.763 -14.998
   59    HB2  DAB   7           HB2      DAB   7   9.693   0.133 -16.048
   60    HB3  DAB   7           HB3      DAB   7  10.997   1.308 -15.725
   61    HG2  DAB   7           HG2      DAB   7   8.682   2.314 -17.408
   62    HG3  DAB   7           HG3      DAB   7   9.773   1.110 -18.181
   63    HD1  DAB   7           HZ3      DAB   7  10.830   3.111 -18.673
   64    HD2  DAB   7           HZ2      DAB   7  10.250   3.885 -17.293
   65    HZ1  DAB   7           HZ1      DAB   7  11.577   2.842 -17.134
   66    H    4FO   8           H        4FO   8   8.519  -0.624 -14.464
   67    HA   4FO   8           HA       4FO   8  10.023  -1.453 -12.130
   68    HB2  4FO   8           HB2      4FO   8   8.169  -3.222 -11.898
   69    HB3  4FO   8           HB3      4FO   8   7.307  -2.390 -13.219
   70    HG3  4FO   8           HG3      4FO   8   8.930  -3.084 -14.902
   71    HG2  4FO   8           HG2      4FO   8   8.569  -4.514 -13.872
   72    HZ3  4FO   8           HZ3      4FO   8  10.998  -4.157 -14.382
   73    HZ2  4FO   8           HZ1      4FO   8  10.962  -2.812 -13.292
   74    HZ1  4FO   8           HZ2      4FO   8  10.581  -4.377 -12.764
   75    H    PHE   9           H        PHE   9   8.746  -2.239 -10.098
   76    HA   PHE   9           HA       PHE   9   6.902  -0.170  -9.164
   77    HB2  PHE   9           HB2      PHE   9   7.751  -2.659  -7.681
   78    HB3  PHE   9           HB3      PHE   9   6.343  -1.648  -7.372
   79    HD1  PHE   9           HD2      PHE   9   5.199  -1.312 -10.029
   80    HD2  PHE   9           HD1      PHE   9   6.941  -4.750  -8.222
   81    HE1  PHE   9           HE2      PHE   9   3.842  -2.759 -11.483
   82    HE2  PHE   9           HE1      PHE   9   5.587  -6.203  -9.675
   83    HZ   PHE   9           HZ       PHE   9   4.034  -5.208 -11.307
   84    H    GLU  10           H        GLU  10   7.414   1.314  -7.659
   85    HA   GLU  10           HA       GLU  10  10.121   1.180  -6.500
   86    HB2  GLU  10           HB2      GLU  10   8.503   3.523  -7.475
   87    HB3  GLU  10           HB3      GLU  10   9.841   3.734  -6.354
   88    HG2  GLU  10           HG2      GLU  10  10.233   2.249  -8.916
   89    HG3  GLU  10           HG3      GLU  10  10.251   4.011  -8.885
   90    H    VAL  11           H        VAL  11   6.735   1.704  -5.917
   91    HA   VAL  11           HA       VAL  11   6.742   2.879  -3.412
   92    HB   VAL  11           HB       VAL  11   4.598   1.583  -3.016
   93   HG11  VAL  11          HG11      VAL  11   4.234   3.694  -3.858
   94   HG12  VAL  11          HG12      VAL  11   5.113   3.367  -5.353
   95   HG13  VAL  11          HG13      VAL  11   3.500   2.694  -5.111
   96   HG21  VAL  11          HG21      VAL  11   5.039   0.657  -5.849
   97   HG22  VAL  11          HG22      VAL  11   5.289  -0.362  -4.431
   98   HG23  VAL  11          HG23      VAL  11   3.682   0.270  -4.791
   99    H    28J  12           H        28J  12   7.430  -0.403  -4.378
  100    HA   28J  12           HA       28J  12   8.843  -1.220  -1.998
  101    H22  28J  12           HB       28J  12   9.087  -2.400  -4.140
  102    H23  28J  12          HG21      28J  12   8.792  -3.640  -1.549
  103    H24  28J  12          HG22      28J  12   7.974  -4.739  -2.688
  104    H25  28J  12          HG23      28J  12   9.688  -4.279  -2.970
  105    H26  28J  12          HG12      28J  12   6.140  -3.248  -3.733
  106    H27  28J  12          HG13      28J  12   6.787  -2.153  -4.998
  107    H28  28J  12          HD13      28J  12   6.544  -4.262  -6.134
  108    H29  28J  12          HD11      28J  12   8.292  -4.174  -5.762
  109    H30  28J  12          HD12      28J  12   7.218  -5.198  -4.746
  110    H    ALA  13           H        ALA  13   5.419  -1.168  -2.660
  111    HA   ALA  13           HA       ALA  13   3.611  -1.564  -1.336
  112    HB1  ALA  13           HB1      ALA  13   3.529  -3.531  -0.091
  113    HB2  ALA  13           HB2      ALA  13   4.730  -3.877  -1.336
  114    HB3  ALA  13           HB3      ALA  13   5.248  -3.468   0.299
  Start of MODEL   10
    1    H1   4N3   1           H        DVA   1   3.616   2.504  -1.500
    2    HA   4N3   1           HA       DVA   1   3.602   4.050   0.999
    3    HB   4N3   1           HB       DVA   1   2.076   4.883  -1.470
    4   HG13  4N3   1          HG13      DVA   1   1.582   6.819  -0.416
    5   HG11  4N3   1          HG11      DVA   1   3.084   6.479   0.443
    6   HG12  4N3   1          HG12      DVA   1   1.534   6.064   1.178
    7   HG22  4N3   1          HG22      DVA   1   0.817   3.094  -0.662
    8   HG23  4N3   1          HG23      DVA   1   0.080   4.496   0.111
    9   HG21  4N3   1          HG21      DVA   1   1.189   3.470   1.020
   10    HD2  4N3   1           HD2      DVA   1   3.014   0.316  -1.374
   11    HD1  4N3   1           HD1      DVA   1   4.365  -0.146  -0.312
   12    HE1  4N3   1           HE1      DVA   1   2.734  -1.708   0.334
   13    HE2  4N3   1           HE2      DVA   1   2.437  -0.404   1.507
   14    HF2  4N3   1           HF2      DVA   1   0.883  -1.037  -1.039
   15    HF1  4N3   1           HF1      DVA   1   0.743   0.534  -0.212
   16    HH1  4N3   1           HH1      DVA   1  -1.031  -0.854   0.661
   17    HH2  4N3   1           HH2      DVA   1   0.216  -0.781   1.928
   18    HI1  4N3   1           HI1      DVA   1  -0.039  -3.032  -0.127
   19    HI2  4N3   1           HI2      DVA   1   1.104  -2.968   1.237
   20    HJ1  4N3   1           HJ1      DVA   1  -1.931  -3.232   1.338
   21    HJ2  4N3   1           HJ2      DVA   1  -0.974  -2.756   2.761
   22    HK3  4N3   1           HK3      DVA   1   0.103  -5.120   1.326
   23    HK2  4N3   1           HK2      DVA   1  -1.515  -5.376   2.022
   24    HK1  4N3   1           HK1      DVA   1  -0.165  -4.875   3.068
   25    H    4FO   2           H        4FO   2   3.946   4.343  -2.534
   26    HA   4FO   2           HA       4FO   2   6.742   5.096  -2.510
   27    HB2  4FO   2           HB2      4FO   2   5.672   7.252  -1.526
   28    HB3  4FO   2           HB3      4FO   2   6.790   7.386  -2.910
   29    HG3  4FO   2           HG3      4FO   2   4.930   7.867  -4.488
   30    HG2  4FO   2           HG2      4FO   2   4.853   8.961  -3.060
   31    HZ3  4FO   2           HZ3      4FO   2   3.027   7.805  -2.144
   32    HZ2  4FO   2           HZ1      4FO   2   2.667   7.895  -3.836
   33    HZ1  4FO   2           HZ2      4FO   2   3.247   6.462  -3.138
   34    H    GLY   3           H        GLY   3   7.114   6.421  -4.788
   35    HA2  GLY   3           HA2      GLY   3   6.228   4.477  -6.732
   36    HA3  GLY   3           HA3      GLY   3   5.593   6.093  -7.002
   37    H    SER   4           H        SER   4   8.002   4.024  -7.839
   38    HA   SER   4           HA       SER   4  10.287   5.674  -7.898
   39    HB2  SER   4           HB2      SER   4  11.298   3.993  -9.171
   40    HB3  SER   4           HB3      SER   4  10.066   3.108  -8.272
   41    HG   SER   4           HG       SER   4   9.081   2.673 -10.078
   42    H    TRP   5           H        TRP   5  11.290   5.852 -10.354
   43    HA   TRP   5           HA       TRP   5   9.609   7.884 -11.580
   44    HB2  TRP   5           HB2      TRP   5  11.831   8.614 -11.319
   45    HB3  TRP   5           HB3      TRP   5  12.493   7.086 -11.891
   46    HD1  TRP   5           HD1      TRP   5   9.985   9.509 -13.609
   47    HE1  TRP   5           HE1      TRP   5  10.906  10.065 -15.947
   48    HE3  TRP   5           HE3      TRP   5  14.385   6.916 -13.385
   49    HZ2  TRP   5           HZ2      TRP   5  13.195   9.482 -17.492
   50    HZ3  TRP   5           HZ3      TRP   5  15.884   6.966 -15.336
   51    HH2  TRP   5           HH2      TRP   5  15.299   8.223 -17.346
   52    H    SER   6           H        SER   6  11.742   5.445 -13.056
   53    HA   SER   6           HA       SER   6  10.247   5.303 -15.444
   54    HB2  SER   6           HB2      SER   6  12.681   4.652 -15.120
   55    HB3  SER   6           HB3      SER   6  12.095   3.150 -14.406
   56    HG   SER   6           HG       SER   6  11.461   4.084 -17.012
   57    H    DAB   7           H        DAB   7   9.860   2.762 -16.137
   58    HA   DAB   7           HA       DAB   7   7.295   1.928 -15.149
   59    HB2  DAB   7           HB2      DAB   7   8.007   0.980 -17.233
   60    HB3  DAB   7           HB3      DAB   7   7.919  -0.350 -16.047
   61    HG2  DAB   7           HG2      DAB   7  10.489   0.964 -17.131
   62    HG3  DAB   7           HG3      DAB   7   9.900  -0.697 -17.497
   63    HD1  DAB   7           HZ3      DAB   7  11.124   0.403 -14.985
   64    HD2  DAB   7           HZ2      DAB   7  10.077  -0.913 -14.886
   65    HZ1  DAB   7           HZ1      DAB   7  11.476  -1.066 -15.831
   66    H    4FO   8           H        4FO   8   6.624   0.260 -13.824
   67    HA   4FO   8           HA       4FO   8   8.433  -0.976 -11.789
   68    HB2  4FO   8           HB2      4FO   8   6.222  -1.759 -10.767
   69    HB3  4FO   8           HB3      4FO   8   5.373  -0.855 -12.049
   70    HG3  4FO   8           HG3      4FO   8   5.865  -3.558 -12.230
   71    HG2  4FO   8           HG2      4FO   8   7.370  -2.932 -12.992
   72    HZ3  4FO   8           HZ3      4FO   8   5.561  -3.327 -14.620
   73    HZ2  4FO   8           HZ1      4FO   8   4.652  -2.039 -13.903
   74    HZ1  4FO   8           HZ2      4FO   8   6.165  -1.754 -14.613
   75    H    PHE   9           H        PHE   9   7.291  -0.786  -9.437
   76    HA   PHE   9           HA       PHE   9   6.991   2.074  -8.843
   77    HB2  PHE   9           HB2      PHE   9   6.487  -0.215  -6.944
   78    HB3  PHE   9           HB3      PHE   9   5.935   1.450  -6.801
   79    HD1  PHE   9           HD2      PHE   9   4.854   1.971  -9.468
   80    HD2  PHE   9           HD1      PHE   9   4.568  -1.501  -7.023
   81    HE1  PHE   9           HE2      PHE   9   2.745   1.367 -10.580
   82    HE2  PHE   9           HE1      PHE   9   2.459  -2.112  -8.132
   83    HZ   PHE   9           HZ       PHE   9   1.544  -0.677  -9.912
   84    H    GLU  10           H        GLU  10   7.741   2.197  -6.240
   85    HA   GLU  10           HA       GLU  10  10.611   1.538  -6.352
   86    HB2  GLU  10           HB2      GLU  10  10.344   3.913  -6.433
   87    HB3  GLU  10           HB3      GLU  10   9.182   3.889  -5.114
   88    HG2  GLU  10           HG2      GLU  10  11.444   4.709  -4.491
   89    HG3  GLU  10           HG3      GLU  10  10.867   3.349  -3.529
   90    H    VAL  11           H        VAL  11   7.812   1.861  -4.207
   91    HA   VAL  11           HA       VAL  11   9.000   0.997  -1.835
   92    HB   VAL  11           HB       VAL  11   6.718   0.347  -1.115
   93   HG11  VAL  11          HG11      VAL  11   7.646   2.749  -1.213
   94   HG12  VAL  11          HG12      VAL  11   6.527   2.965  -2.560
   95   HG13  VAL  11          HG13      VAL  11   5.914   2.526  -0.966
   96   HG21  VAL  11          HG21      VAL  11   5.288   1.384  -3.381
   97   HG22  VAL  11          HG22      VAL  11   6.294   0.019  -3.867
   98   HG23  VAL  11          HG23      VAL  11   5.116  -0.172  -2.568
   99    H    28J  12           H        28J  12   8.093  -0.709  -4.679
  100    HA   28J  12           HA       28J  12   9.277  -3.266  -3.869
  101    H22  28J  12           HB       28J  12   8.543  -4.133  -5.971
  102    H23  28J  12          HG21      28J  12   6.909  -2.511  -7.417
  103    H24  28J  12          HG22      28J  12   6.241  -3.713  -6.285
  104    H25  28J  12          HG23      28J  12   6.361  -1.991  -5.786
  105    H26  28J  12          HG12      28J  12   9.040  -1.131  -6.498
  106    H27  28J  12          HG13      28J  12  10.309  -2.254  -5.910
  107    H28  28J  12          HD13      28J  12  10.564  -3.288  -7.985
  108    H29  28J  12          HD11      28J  12   8.812  -3.239  -8.347
  109    H30  28J  12          HD12      28J  12   9.813  -1.767  -8.598
  110    H    ALA  13           H        ALA  13   6.049  -1.962  -3.618
  111    HA   ALA  13           HA       ALA  13   4.233  -2.693  -2.454
  112    HB1  ALA  13           HB1      ALA  13   5.065  -5.378  -3.546
  113    HB2  ALA  13           HB2      ALA  13   3.471  -4.951  -2.924
  114    HB3  ALA  13           HB3      ALA  13   4.078  -4.188  -4.393
  Start of MODEL   11
    1    H1   4N3   1           H        DVA   1   3.951   2.356  -1.576
    2    HA   4N3   1           HA       DVA   1   5.174   2.523   1.100
    3    HB   4N3   1           HB       DVA   1   4.095   4.834  -0.522
    4   HG13  4N3   1          HG13      DVA   1   6.111   4.731   1.498
    5   HG11  4N3   1          HG11      DVA   1   4.703   5.585   2.129
    6   HG12  4N3   1          HG12      DVA   1   5.471   6.132   0.637
    7   HG22  4N3   1          HG22      DVA   1   3.083   3.350   1.871
    8   HG23  4N3   1          HG23      DVA   1   2.213   3.876   0.431
    9   HG21  4N3   1          HG21      DVA   1   2.692   5.055   1.652
   10    HD2  4N3   1           HD2      DVA   1   2.525   0.749  -1.982
   11    HD1  4N3   1           HD1      DVA   1   3.251  -0.740  -1.332
   12    HE1  4N3   1           HE1      DVA   1   0.794  -0.790  -1.031
   13    HE2  4N3   1           HE2      DVA   1   1.602  -0.694   0.552
   14    HF2  4N3   1           HF2      DVA   1   0.259   1.574  -0.993
   15    HF1  4N3   1           HF1      DVA   1   1.300   1.845   0.426
   16    HH1  4N3   1           HH1      DVA   1  -0.862   1.732   1.383
   17    HH2  4N3   1           HH2      DVA   1  -0.251   0.075   1.599
   18    HI1  4N3   1           HI1      DVA   1  -2.053   1.040  -0.678
   19    HI2  4N3   1           HI2      DVA   1  -1.414  -0.613  -0.504
   20    HJ1  4N3   1           HJ1      DVA   1  -2.532  -0.676   1.800
   21    HJ2  4N3   1           HJ2      DVA   1  -3.652  -0.636   0.417
   22    HK3  4N3   1           HK3      DVA   1  -4.493   1.388   1.035
   23    HK2  4N3   1           HK2      DVA   1  -2.870   2.064   1.308
   24    HK1  4N3   1           HK1      DVA   1  -3.673   1.131   2.594
   25    H    4FO   2           H        4FO   2   5.344   4.360  -1.942
   26    HA   4FO   2           HA       4FO   2   7.822   3.336  -2.956
   27    HB2  4FO   2           HB2      4FO   2   9.118   4.206  -1.158
   28    HB3  4FO   2           HB3      4FO   2   9.290   5.368  -2.501
   29    HG3  4FO   2           HG3      4FO   2   7.628   5.803   0.084
   30    HG2  4FO   2           HG2      4FO   2   7.556   6.871  -1.363
   31    HZ3  4FO   2           HZ3      4FO   2   9.393   7.911  -0.724
   32    HZ2  4FO   2           HZ1      4FO   2   9.490   6.928   0.699
   33    HZ1  4FO   2           HZ2      4FO   2  10.268   6.471  -0.737
   34    H    GLY   3           H        GLY   3   8.908   5.186  -4.418
   35    HA2  GLY   3           HA2      GLY   3   6.715   6.029  -6.125
   36    HA3  GLY   3           HA3      GLY   3   7.704   7.331  -5.479
   37    H    SER   4           H        SER   4   7.292   5.297  -8.054
   38    HA   SER   4           HA       SER   4   9.549   6.213  -9.439
   39    HB2  SER   4           HB2      SER   4  10.477   3.682  -9.585
   40    HB3  SER   4           HB3      SER   4  11.104   4.874  -8.447
   41    HG   SER   4           HG       SER   4   9.763   2.574  -7.960
   42    H    TRP   5           H        TRP   5   8.530   6.406 -11.323
   43    HA   TRP   5           HA       TRP   5   6.710   4.311 -12.224
   44    HB2  TRP   5           HB2      TRP   5   5.760   6.444 -12.510
   45    HB3  TRP   5           HB3      TRP   5   7.262   7.127 -13.126
   46    HD1  TRP   5           HD1      TRP   5   5.228   4.061 -14.381
   47    HE1  TRP   5           HE1      TRP   5   4.776   4.393 -16.893
   48    HE3  TRP   5           HE3      TRP   5   7.372   8.662 -14.991
   49    HZ2  TRP   5           HZ2      TRP   5   5.264   6.346 -18.871
   50    HZ3  TRP   5           HZ3      TRP   5   7.338   9.692 -17.225
   51    HH2  TRP   5           HH2      TRP   5   6.306   8.556 -19.124
   52    H    SER   6           H        SER   6   9.054   6.316 -14.003
   53    HA   SER   6           HA       SER   6   9.606   4.120 -15.798
   54    HB2  SER   6           HB2      SER   6   9.418   6.433 -16.647
   55    HB3  SER   6           HB3      SER   6  10.825   6.890 -15.687
   56    HG   SER   6           HG       SER   6  10.882   6.019 -18.106
   57    H    DAB   7           H        DAB   7  10.314   3.035 -13.619
   58    HA   DAB   7           HA       DAB   7  13.056   2.268 -13.937
   59    HB2  DAB   7           HB2      DAB   7  13.810   4.384 -13.028
   60    HB3  DAB   7           HB3      DAB   7  14.040   3.106 -11.804
   61    HG2  DAB   7           HG2      DAB   7  11.479   4.281 -11.208
   62    HG3  DAB   7           HG3      DAB   7  12.592   5.661 -11.517
   63    HD1  DAB   7           HZ3      DAB   7  12.646   3.571  -9.390
   64    HD2  DAB   7           HZ2      DAB   7  14.131   4.125  -9.962
   65    HZ1  DAB   7           HZ1      DAB   7  13.050   5.252  -9.303
   66    H    4FO   8           H        4FO   8  10.482   1.118 -13.597
   67    HA   4FO   8           HA       4FO   8  11.010  -0.930 -11.511
   68    HB2  4FO   8           HB2      4FO   8   8.553  -1.614 -12.182
   69    HB3  4FO   8           HB3      4FO   8   8.694  -0.345 -13.428
   70    HG3  4FO   8           HG3      4FO   8  10.791  -1.653 -14.346
   71    HG2  4FO   8           HG2      4FO   8   9.149  -2.347 -14.592
   72    HZ3  4FO   8           HZ3      4FO   8   9.690  -3.599 -12.343
   73    HZ2  4FO   8           HZ1      4FO   8  10.314  -4.175 -13.853
   74    HZ1  4FO   8           HZ2      4FO   8  11.284  -3.282 -12.787
   75    H    PHE   9           H        PHE   9   8.857  -1.495 -10.190
   76    HA   PHE   9           HA       PHE   9   7.860   0.942  -8.909
   77    HB2  PHE   9           HB2      PHE   9   6.970  -1.889  -8.358
   78    HB3  PHE   9           HB3      PHE   9   6.122  -0.395  -7.969
   79    HD1  PHE   9           HD2      PHE   9   6.279   1.092 -10.473
   80    HD2  PHE   9           HD1      PHE   9   5.588  -3.053  -9.793
   81    HE1  PHE   9           HE2      PHE   9   5.055   0.950 -12.602
   82    HE2  PHE   9           HE1      PHE   9   4.364  -3.202 -11.923
   83    HZ   PHE   9           HZ       PHE   9   4.095  -1.199 -13.330
   84    H    GLU  10           H        GLU  10   8.362   1.509  -6.864
   85    HA   GLU  10           HA       GLU  10  10.315  -0.181  -5.462
   86    HB2  GLU  10           HB2      GLU  10   9.796   2.777  -5.467
   87    HB3  GLU  10           HB3      GLU  10  10.672   2.023  -4.143
   88    HG2  GLU  10           HG2      GLU  10  12.345   1.193  -5.698
   89    HG3  GLU  10           HG3      GLU  10  11.456   1.900  -7.046
   90    H    VAL  11           H        VAL  11   7.168   1.237  -5.233
   91    HA   VAL  11           HA       VAL  11   6.706   1.294  -2.510
   92    HB   VAL  11           HB       VAL  11   4.320   0.870  -3.037
   93   HG11  VAL  11          HG11      VAL  11   4.607   3.096  -3.257
   94   HG12  VAL  11          HG12      VAL  11   5.991   2.919  -4.337
   95   HG13  VAL  11          HG13      VAL  11   4.352   2.753  -4.967
   96   HG21  VAL  11          HG21      VAL  11   5.489  -0.266  -5.423
   97   HG22  VAL  11          HG22      VAL  11   3.851  -0.427  -4.788
   98   HG23  VAL  11          HG23      VAL  11   4.267   0.943  -5.818
   99    H    28J  12           H        28J  12   6.993  -1.400  -4.679
  100    HA   28J  12           HA       28J  12   7.139  -3.422  -2.538
  101    H22  28J  12           HB       28J  12   8.389  -3.636  -4.684
  102    H23  28J  12          HG21      28J  12   6.533  -6.041  -4.796
  103    H24  28J  12          HG22      28J  12   8.303  -5.969  -4.603
  104    H25  28J  12          HG23      28J  12   7.240  -5.663  -3.187
  105    H26  28J  12          HG12      28J  12   5.603  -4.049  -5.964
  106    H27  28J  12          HG13      28J  12   6.657  -2.613  -6.168
  107    H28  28J  12          HD13      28J  12   6.660  -4.770  -7.922
  108    H29  28J  12          HD11      28J  12   8.042  -3.656  -7.693
  109    H30  28J  12          HD12      28J  12   8.017  -5.232  -6.827
  110    H    ALA  13           H        ALA  13   4.560  -2.231  -4.577
  111    HA   ALA  13           HA       ALA  13   2.302  -2.499  -4.426
  112    HB1  ALA  13           HB1      ALA  13   1.498  -4.658  -4.730
  113    HB2  ALA  13           HB2      ALA  13   3.151  -4.755  -5.340
  114    HB3  ALA  13           HB3      ALA  13   2.766  -5.376  -3.735
  Start of MODEL   12
    1    H1   4N3   1           H        DVA   1   2.821   3.278  -1.314
    2    HA   4N3   1           HA       DVA   1   3.504   5.024   0.959
    3    HB   4N3   1           HB       DVA   1   2.117   6.749  -0.256
    4   HG13  4N3   1          HG13      DVA   1   0.768   6.116   1.400
    5   HG11  4N3   1          HG11      DVA   1   1.254   4.427   1.248
    6   HG12  4N3   1          HG12      DVA   1  -0.032   5.070   0.225
    7   HG22  4N3   1          HG22      DVA   1   2.245   5.392  -2.437
    8   HG23  4N3   1          HG23      DVA   1   0.712   6.163  -2.029
    9   HG21  4N3   1          HG21      DVA   1   0.932   4.435  -1.752
   10    HD2  4N3   1           HD2      DVA   1   3.410   0.992  -1.030
   11    HD1  4N3   1           HD1      DVA   1   3.764   0.444   0.625
   12    HE1  4N3   1           HE1      DVA   1   1.414   1.116   1.282
   13    HE2  4N3   1           HE2      DVA   1   1.088   1.482  -0.429
   14    HF2  4N3   1           HF2      DVA   1   1.880  -1.232   0.738
   15    HF1  4N3   1           HF1      DVA   1   1.724  -0.893  -1.003
   16    HH1  4N3   1           HH1      DVA   1  -0.664  -0.148  -0.563
   17    HH2  4N3   1           HH2      DVA   1  -0.475  -0.719   1.112
   18    HI1  4N3   1           HI1      DVA   1  -0.169  -2.425  -1.410
   19    HI2  4N3   1           HI2      DVA   1   0.071  -3.003   0.257
   20    HJ1  4N3   1           HJ1      DVA   1  -2.362  -2.026   0.642
   21    HJ2  4N3   1           HJ2      DVA   1  -2.167  -3.614  -0.138
   22    HK3  4N3   1           HK3      DVA   1  -2.430  -2.632  -2.353
   23    HK2  4N3   1           HK2      DVA   1  -2.401  -0.985  -1.679
   24    HK1  4N3   1           HK1      DVA   1  -3.780  -2.060  -1.343
   25    H    4FO   2           H        4FO   2   5.237   3.815  -1.175
   26    HA   4FO   2           HA       4FO   2   7.211   4.421  -2.332
   27    HB2  4FO   2           HB2      4FO   2   8.264   6.578  -1.765
   28    HB3  4FO   2           HB3      4FO   2   6.706   7.220  -1.181
   29    HG3  4FO   2           HG3      4FO   2   7.863   4.798   0.311
   30    HG2  4FO   2           HG2      4FO   2   6.818   6.148   0.881
   31    HZ3  4FO   2           HZ3      4FO   2   8.579   7.332   1.501
   32    HZ2  4FO   2           HZ1      4FO   2   9.604   5.989   1.121
   33    HZ1  4FO   2           HZ2      4FO   2   9.293   7.203  -0.020
   34    H    GLY   3           H        GLY   3   8.042   5.709  -4.120
   35    HA2  GLY   3           HA2      GLY   3   6.159   5.974  -6.166
   36    HA3  GLY   3           HA3      GLY   3   6.453   7.580  -5.517
   37    H    SER   4           H        SER   4   7.227   5.774  -8.017
   38    HA   SER   4           HA       SER   4  10.002   6.761  -8.132
   39    HB2  SER   4           HB2      SER   4  10.219   4.831  -9.889
   40    HB3  SER   4           HB3      SER   4  10.302   4.454  -8.169
   41    HG   SER   4           HG       SER   4   8.852   3.126  -9.525
   42    H    TRP   5           H        TRP   5  10.668   6.632 -10.654
   43    HA   TRP   5           HA       TRP   5   8.910   8.557 -11.927
   44    HB2  TRP   5           HB2      TRP   5  11.176   9.172 -12.077
   45    HB3  TRP   5           HB3      TRP   5  11.682   7.540 -12.506
   46    HD1  TRP   5           HD1      TRP   5   9.060   9.850 -14.208
   47    HE1  TRP   5           HE1      TRP   5   9.670  10.027 -16.703
   48    HE3  TRP   5           HE3      TRP   5  13.345   7.063 -14.195
   49    HZ2  TRP   5           HZ2      TRP   5  11.699   9.106 -18.435
   50    HZ3  TRP   5           HZ3      TRP   5  14.561   6.759 -16.312
   51    HH2  TRP   5           HH2      TRP   5  13.753   7.760 -18.388
   52    H    SER   6           H        SER   6  10.690   5.802 -13.315
   53    HA   SER   6           HA       SER   6   9.029   5.442 -15.509
   54    HB2  SER   6           HB2      SER   6  11.334   4.404 -15.030
   55    HB3  SER   6           HB3      SER   6  10.450   3.149 -14.162
   56    HG   SER   6           HG       SER   6  10.314   2.291 -16.083
   57    H    DAB   7           H        DAB   7   7.979   3.139 -15.860
   58    HA   DAB   7           HA       DAB   7   5.528   2.968 -14.220
   59    HB2  DAB   7           HB2      DAB   7   5.742   2.331 -16.716
   60    HB3  DAB   7           HB3      DAB   7   4.848   1.233 -15.630
   61    HG2  DAB   7           HG2      DAB   7   6.044  -0.219 -17.053
   62    HG3  DAB   7           HG3      DAB   7   7.028  -0.252 -15.547
   63    HD1  DAB   7           HZ3      DAB   7   8.572   1.357 -16.641
   64    HD2  DAB   7           HZ2      DAB   7   8.384  -0.061 -17.531
   65    HZ1  DAB   7           HZ1      DAB   7   7.590   1.338 -18.067
   66    H    4FO   8           H        4FO   8   8.719   1.823 -13.811
   67    HA   4FO   8           HA       4FO   8   9.742   0.425 -12.187
   68    HB2  4FO   8           HB2      4FO   8   8.524  -1.901 -11.990
   69    HB3  4FO   8           HB3      4FO   8   7.375  -1.245 -13.188
   70    HG3  4FO   8           HG3      4FO   8   8.965  -2.649 -14.415
   71    HG2  4FO   8           HG2      4FO   8  10.363  -1.850 -13.611
   72    HZ3  4FO   8           HZ3      4FO   8   9.000  -1.022 -15.995
   73    HZ2  4FO   8           HZ1      4FO   8   9.070   0.257 -14.829
   74    HZ1  4FO   8           HZ2      4FO   8  10.475  -0.545 -15.335
   75    H    PHE   9           H        PHE   9   9.014  -1.182 -10.243
   76    HA   PHE   9           HA       PHE   9   7.038   0.292  -8.639
   77    HB2  PHE   9           HB2      PHE   9   8.179  -2.424  -7.991
   78    HB3  PHE   9           HB3      PHE   9   6.730  -1.671  -7.332
   79    HD1  PHE   9           HD2      PHE   9   5.397  -0.715  -9.765
   80    HD2  PHE   9           HD1      PHE   9   7.437  -4.371  -8.998
   81    HE1  PHE   9           HE2      PHE   9   4.035  -1.831 -11.483
   82    HE2  PHE   9           HE1      PHE   9   6.080  -5.493 -10.716
   83    HZ   PHE   9           HZ       PHE   9   4.375  -4.223 -11.961
   84    H    GLU  10           H        GLU  10   7.587   1.208  -6.718
   85    HA   GLU  10           HA       GLU  10  10.413   1.001  -5.905
   86    HB2  GLU  10           HB2      GLU  10   9.307   3.245  -6.924
   87    HB3  GLU  10           HB3      GLU  10   8.932   3.471  -5.221
   88    HG2  GLU  10           HG2      GLU  10  11.707   2.786  -6.100
   89    HG3  GLU  10           HG3      GLU  10  11.118   4.446  -6.158
   90    H    VAL  11           H        VAL  11   7.069   1.343  -4.894
   91    HA   VAL  11           HA       VAL  11   7.336   1.662  -2.168
   92    HB   VAL  11           HB       VAL  11   5.182   0.333  -1.990
   93   HG11  VAL  11          HG11      VAL  11   4.248   2.327  -2.262
   94   HG12  VAL  11          HG12      VAL  11   5.714   2.884  -3.070
   95   HG13  VAL  11          HG13      VAL  11   4.396   2.189  -4.013
   96   HG21  VAL  11          HG21      VAL  11   5.409   0.290  -4.997
   97   HG22  VAL  11          HG22      VAL  11   5.618  -1.114  -3.951
   98   HG23  VAL  11          HG23      VAL  11   4.056  -0.299  -4.031
   99    H    28J  12           H        28J  12   7.741  -1.195  -4.147
  100    HA   28J  12           HA       28J  12   9.351  -2.722  -2.301
  101    H22  28J  12           HB       28J  12   8.920  -4.660  -3.723
  102    H23  28J  12          HG21      28J  12   6.703  -4.899  -4.395
  103    H24  28J  12          HG22      28J  12   6.401  -3.144  -4.448
  104    H25  28J  12          HG23      28J  12   7.228  -3.947  -5.826
  105    H26  28J  12          HG12      28J  12   9.468  -3.585  -6.017
  106    H27  28J  12          HG13      28J  12   9.236  -1.990  -5.230
  107    H28  28J  12          HD13      28J  12  11.040  -2.766  -3.464
  108    H29  28J  12          HD11      28J  12  11.404  -4.093  -4.608
  109    H30  28J  12          HD12      28J  12  11.612  -2.386  -5.132
  110    H    ALA  13           H        ALA  13   5.906  -2.311  -2.438
  111    HA   ALA  13           HA       ALA  13   4.244  -2.981  -1.035
  112    HB1  ALA  13           HB1      ALA  13   4.110  -5.273  -0.450
  113    HB2  ALA  13           HB2      ALA  13   4.906  -5.203  -2.023
  114    HB3  ALA  13           HB3      ALA  13   5.858  -5.476  -0.564
  Start of MODEL   13
    1    H1   4N3   1           H        DVA   1   2.383   2.007  -2.568
    2    HA   4N3   1           HA       DVA   1   1.463   4.400  -1.112
    3    HB   4N3   1           HB       DVA   1  -0.367   3.176  -2.319
    4   HG13  4N3   1          HG13      DVA   1   0.336   4.216  -4.933
    5   HG11  4N3   1          HG11      DVA   1  -0.216   2.606  -4.468
    6   HG12  4N3   1          HG12      DVA   1   1.497   3.016  -4.360
    7   HG22  4N3   1          HG22      DVA   1  -0.176   5.756  -3.733
    8   HG23  4N3   1          HG23      DVA   1   0.011   5.824  -1.981
    9   HG21  4N3   1          HG21      DVA   1  -1.446   5.123  -2.686
   10    HD2  4N3   1           HD2      DVA   1   1.273   0.189  -0.739
   11    HD1  4N3   1           HD1      DVA   1   3.026   0.131  -1.041
   12    HE1  4N3   1           HE1      DVA   1   2.671  -0.873   1.132
   13    HE2  4N3   1           HE2      DVA   1   3.345   0.746   1.431
   14    HF2  4N3   1           HF2      DVA   1   0.354   0.113   1.431
   15    HF1  4N3   1           HF1      DVA   1   1.124   1.646   1.911
   16    HH1  4N3   1           HH1      DVA   1   0.858   0.669   4.011
   17    HH2  4N3   1           HH2      DVA   1   2.464   0.030   3.585
   18    HI1  4N3   1           HI1      DVA   1  -0.111  -1.456   2.905
   19    HI2  4N3   1           HI2      DVA   1   1.553  -2.090   2.914
   20    HJ1  4N3   1           HJ1      DVA   1  -0.028  -2.618   4.960
   21    HJ2  4N3   1           HJ2      DVA   1   0.347  -0.950   5.453
   22    HK3  4N3   1           HK3      DVA   1   2.678  -1.409   5.648
   23    HK2  4N3   1           HK2      DVA   1   2.551  -2.909   4.698
   24    HK1  4N3   1           HK1      DVA   1   1.896  -2.844   6.353
   25    H    4FO   2           H        4FO   2   4.136   3.818  -1.885
   26    HA   4FO   2           HA       4FO   2   6.024   4.919  -2.795
   27    HB2  4FO   2           HB2      4FO   2   5.919   7.276  -2.959
   28    HB3  4FO   2           HB3      4FO   2   4.267   7.243  -3.633
   29    HG3  4FO   2           HG3      4FO   2   4.984   6.848  -0.634
   30    HG2  4FO   2           HG2      4FO   2   3.342   6.671  -1.350
   31    HZ3  4FO   2           HZ3      4FO   2   3.590   9.031  -2.205
   32    HZ2  4FO   2           HZ1      4FO   2   3.506   8.873  -0.483
   33    HZ1  4FO   2           HZ2      4FO   2   4.983   9.156  -1.266
   34    H    GLY   3           H        GLY   3   6.931   5.897  -4.806
   35    HA2  GLY   3           HA2      GLY   3   6.349   4.284  -7.001
   36    HA3  GLY   3           HA3      GLY   3   5.502   5.804  -7.248
   37    H    SER   4           H        SER   4   8.263   4.188  -7.950
   38    HA   SER   4           HA       SER   4  10.218   6.239  -7.676
   39    HB2  SER   4           HB2      SER   4  10.660   3.746  -7.921
   40    HB3  SER   4           HB3      SER   4  10.316   3.945  -9.639
   41    HG   SER   4           HG       SER   4  12.541   4.639  -8.205
   42    H    TRP   5           H        TRP   5  11.478   6.466 -10.069
   43    HA   TRP   5           HA       TRP   5   9.692   8.256 -11.490
   44    HB2  TRP   5           HB2      TRP   5  11.813   9.205 -11.120
   45    HB3  TRP   5           HB3      TRP   5  12.652   7.730 -11.591
   46    HD1  TRP   5           HD1      TRP   5  10.045   9.842 -13.554
   47    HE1  TRP   5           HE1      TRP   5  11.063  10.411 -15.849
   48    HE3  TRP   5           HE3      TRP   5  14.647   7.698 -12.955
   49    HZ2  TRP   5           HZ2      TRP   5  13.494  10.004 -17.223
   50    HZ3  TRP   5           HZ3      TRP   5  16.261   7.832 -14.808
   51    HH2  TRP   5           HH2      TRP   5  15.694   8.961 -16.897
   52    H    SER   6           H        SER   6  12.134   5.986 -12.739
   53    HA   SER   6           HA       SER   6  10.874   5.641 -15.223
   54    HB2  SER   6           HB2      SER   6  13.310   5.081 -14.458
   55    HB3  SER   6           HB3      SER   6  12.627   3.509 -14.040
   56    HG   SER   6           HG       SER   6  12.943   3.090 -16.075
   57    H    DAB   7           H        DAB   7  10.306   3.380 -16.053
   58    HA   DAB   7           HA       DAB   7   7.830   2.391 -14.984
   59    HB2  DAB   7           HB2      DAB   7   8.274   0.322 -16.344
   60    HB3  DAB   7           HB3      DAB   7   9.974   0.827 -16.534
   61    HG2  DAB   7           HG2      DAB   7   8.105   1.205 -18.461
   62    HG3  DAB   7           HG3      DAB   7   9.511   2.314 -18.279
   63    HD1  DAB   7           HZ3      DAB   7   7.035   3.210 -18.458
   64    HD2  DAB   7           HZ2      DAB   7   6.953   2.818 -16.821
   65    HZ1  DAB   7           HZ1      DAB   7   8.108   3.955 -17.320
   66    H    4FO   8           H        4FO   8   7.396   0.241 -14.124
   67    HA   4FO   8           HA       4FO   8   9.396  -0.935 -12.212
   68    HB2  4FO   8           HB2      4FO   8   7.416  -2.419 -11.559
   69    HB3  4FO   8           HB3      4FO   8   6.429  -1.529 -12.749
   70    HG3  4FO   8           HG3      4FO   8   7.502  -3.925 -13.388
   71    HG2  4FO   8           HG2      4FO   8   8.961  -2.928 -13.730
   72    HZ3  4FO   8           HZ3      4FO   8   7.268  -3.339 -15.636
   73    HZ2  4FO   8           HZ1      4FO   8   6.394  -2.026 -14.920
   74    HZ1  4FO   8           HZ2      4FO   8   7.998  -1.834 -15.436
   75    H    PHE   9           H        PHE   9   8.121  -1.487  -9.985
   76    HA   PHE   9           HA       PHE   9   7.066   1.048  -8.943
   77    HB2  PHE   9           HB2      PHE   9   7.049  -1.617  -7.529
   78    HB3  PHE   9           HB3      PHE   9   6.085  -0.191  -7.161
   79    HD1  PHE   9           HD2      PHE   9   5.068   0.559  -9.800
   80    HD2  PHE   9           HD1      PHE   9   5.525  -3.282  -8.025
   81    HE1  PHE   9           HE2      PHE   9   3.250  -0.306 -11.213
   82    HE2  PHE   9           HE1      PHE   9   3.708  -4.155  -9.437
   83    HZ   PHE   9           HZ       PHE   9   2.567  -2.666 -11.032
   84    H    GLU  10           H        GLU  10   7.609   0.832  -6.291
   85    HA   GLU  10           HA       GLU  10  10.509   0.507  -6.047
   86    HB2  GLU  10           HB2      GLU  10   9.504   2.977  -6.483
   87    HB3  GLU  10           HB3      GLU  10   9.384   2.906  -4.730
   88    HG2  GLU  10           HG2      GLU  10  11.888   2.468  -6.342
   89    HG3  GLU  10           HG3      GLU  10  11.471   3.930  -5.450
   90    H    VAL  11           H        VAL  11   7.502   1.312  -4.329
   91    HA   VAL  11           HA       VAL  11   8.295   0.803  -1.735
   92    HB   VAL  11           HB       VAL  11   5.884   0.120  -1.334
   93   HG11  VAL  11          HG11      VAL  11   6.970   2.522  -1.472
   94   HG12  VAL  11          HG12      VAL  11   5.883   2.675  -2.854
   95   HG13  VAL  11          HG13      VAL  11   5.233   2.309  -1.256
   96   HG21  VAL  11          HG21      VAL  11   5.084   1.115  -3.968
   97   HG22  VAL  11          HG22      VAL  11   5.882  -0.457  -4.001
   98   HG23  VAL  11          HG23      VAL  11   4.439  -0.222  -3.016
   99    H    28J  12           H        28J  12   7.587  -1.398  -4.330
  100    HA   28J  12           HA       28J  12   8.681  -3.758  -2.921
  101    H22  28J  12           HB       28J  12   8.291  -4.983  -4.919
  102    H23  28J  12          HG21      28J  12   6.337  -2.760  -5.874
  103    H24  28J  12          HG22      28J  12   6.782  -4.227  -6.783
  104    H25  28J  12          HG23      28J  12   5.859  -4.376  -5.248
  105    H26  28J  12          HG12      28J  12   8.873  -2.061  -5.757
  106    H27  28J  12          HG13      28J  12  10.054  -3.199  -5.032
  107    H28  28J  12          HD13      28J  12   9.841  -4.745  -7.010
  108    H29  28J  12          HD11      28J  12   8.604  -3.670  -7.730
  109    H30  28J  12          HD12      28J  12  10.292  -3.080  -7.537
  110    H    ALA  13           H        ALA  13   5.550  -2.340  -3.176
  111    HA   ALA  13           HA       ALA  13   3.586  -2.851  -2.144
  112    HB1  ALA  13           HB1      ALA  13   3.147  -4.419  -3.795
  113    HB2  ALA  13           HB2      ALA  13   4.440  -5.494  -3.260
  114    HB3  ALA  13           HB3      ALA  13   2.961  -5.353  -2.310
  Start of MODEL   14
    1    H1   4N3   1           H        DVA   1   3.143   3.152   0.951
    2    HA   4N3   1           HA       DVA   1   4.704   0.875   0.000
    3    HB   4N3   1           HB       DVA   1   5.376   2.221   2.617
    4   HG13  4N3   1          HG13      DVA   1   7.060   0.975   0.941
    5   HG11  4N3   1          HG11      DVA   1   6.475  -0.414   1.859
    6   HG12  4N3   1          HG12      DVA   1   7.238   0.939   2.697
    7   HG22  4N3   1          HG22      DVA   1   4.654   0.166   3.715
    8   HG23  4N3   1          HG23      DVA   1   4.134  -0.492   2.164
    9   HG21  4N3   1          HG21      DVA   1   3.318   0.916   2.843
   10    HD2  4N3   1           HD2      DVA   1   3.006   1.031  -1.443
   11    HD1  4N3   1           HD1      DVA   1   2.413  -0.425  -0.609
   12    HE1  4N3   1           HE1      DVA   1   0.752   0.161  -2.280
   13    HE2  4N3   1           HE2      DVA   1   0.075   0.610  -0.697
   14    HF2  4N3   1           HF2      DVA   1   1.416   2.482  -2.710
   15    HF1  4N3   1           HF1      DVA   1   0.912   2.965  -1.072
   16    HH1  4N3   1           HH1      DVA   1  -1.438   2.221  -1.646
   17    HH2  4N3   1           HH2      DVA   1  -0.891   1.934  -3.315
   18    HI1  4N3   1           HI1      DVA   1  -0.995   4.583  -1.804
   19    HI2  4N3   1           HI2      DVA   1  -0.072   4.379  -3.313
   20    HJ1  4N3   1           HJ1      DVA   1  -2.973   3.508  -3.189
   21    HJ2  4N3   1           HJ2      DVA   1  -2.010   4.002  -4.602
   22    HK3  4N3   1           HK3      DVA   1  -2.817   6.107  -4.374
   23    HK2  4N3   1           HK2      DVA   1  -2.011   6.217  -2.791
   24    HK1  4N3   1           HK1      DVA   1  -3.692   5.640  -2.895
   25    H    4FO   2           H        4FO   2   4.354   2.928  -1.551
   26    HA   4FO   2           HA       4FO   2   6.992   3.836  -2.207
   27    HB2  4FO   2           HB2      4FO   2   5.410   5.734  -0.424
   28    HB3  4FO   2           HB3      4FO   2   7.157   5.379  -0.498
   29    HG3  4FO   2           HG3      4FO   2   5.604   7.225  -2.455
   30    HG2  4FO   2           HG2      4FO   2   7.315   6.707  -2.662
   31    HZ3  4FO   2           HZ3      4FO   2   6.672   8.937  -1.363
   32    HZ2  4FO   2           HZ1      4FO   2   6.732   7.843  -0.022
   33    HZ1  4FO   2           HZ2      4FO   2   8.056   8.023  -1.065
   34    H    GLY   3           H        GLY   3   7.071   4.925  -4.172
   35    HA2  GLY   3           HA2      GLY   3   5.352   4.307  -6.128
   36    HA3  GLY   3           HA3      GLY   3   4.587   5.734  -5.445
   37    H    SER   4           H        SER   4   6.484   4.751  -7.886
   38    HA   SER   4           HA       SER   4   7.950   7.306  -7.998
   39    HB2  SER   4           HB2      SER   4   8.865   4.604  -8.361
   40    HB3  SER   4           HB3      SER   4   9.084   5.506  -9.860
   41    HG   SER   4           HG       SER   4  10.227   7.073  -8.672
   42    H    TRP   5           H        TRP   5   8.625   7.582 -10.519
   43    HA   TRP   5           HA       TRP   5   6.069   7.913 -11.867
   44    HB2  TRP   5           HB2      TRP   5   7.366   9.873 -11.957
   45    HB3  TRP   5           HB3      TRP   5   8.840   8.986 -12.337
   46    HD1  TRP   5           HD1      TRP   5   5.412   8.993 -14.170
   47    HE1  TRP   5           HE1      TRP   5   5.846   9.547 -16.645
   48    HE3  TRP   5           HE3      TRP   5  10.465   9.743 -13.960
   49    HZ2  TRP   5           HZ2      TRP   5   8.040  10.212 -18.292
   50    HZ3  TRP   5           HZ3      TRP   5  11.656  10.335 -16.030
   51    HH2  TRP   5           HH2      TRP   5  10.467  10.564 -18.150
   52    H    SER   6           H        SER   6   9.275   7.032 -13.143
   53    HA   SER   6           HA       SER   6   8.368   5.691 -15.389
   54    HB2  SER   6           HB2      SER   6  10.904   5.584 -13.802
   55    HB3  SER   6           HB3      SER   6  10.651   4.404 -15.088
   56    HG   SER   6           HG       SER   6  11.612   6.730 -15.439
   57    H    DAB   7           H        DAB   7   8.817   3.319 -15.840
   58    HA   DAB   7           HA       DAB   7   7.045   1.562 -14.349
   59    HB2  DAB   7           HB2      DAB   7   7.944   1.295 -16.793
   60    HB3  DAB   7           HB3      DAB   7   7.719  -0.142 -15.759
   61    HG2  DAB   7           HG2      DAB   7  10.145  -0.340 -15.357
   62    HG3  DAB   7           HG3      DAB   7  10.493   1.155 -16.298
   63    HD1  DAB   7           HZ3      DAB   7   9.109  -0.315 -18.120
   64    HD2  DAB   7           HZ2      DAB   7  10.782  -0.360 -17.925
   65    HZ1  DAB   7           HZ1      DAB   7   9.854  -1.579 -17.200
   66    H    4FO   8           H        4FO   8   8.285  -0.749 -13.849
   67    HA   4FO   8           HA       4FO   8  10.490  -0.399 -11.846
   68    HB2  4FO   8           HB2      4FO   8   9.983  -2.882 -11.375
   69    HB3  4FO   8           HB3      4FO   8   8.726  -2.786 -12.638
   70    HG3  4FO   8           HG3      4FO   8  11.582  -2.049 -13.480
   71    HG2  4FO   8           HG2      4FO   8  10.229  -2.791 -14.407
   72    HZ3  4FO   8           HZ3      4FO   8  11.082  -4.787 -14.023
   73    HZ2  4FO   8           HZ1      4FO   8  12.329  -4.136 -13.013
   74    HZ1  4FO   8           HZ2      4FO   8  10.826  -4.587 -12.369
   75    H    PHE   9           H        PHE   9   9.879  -1.838  -9.733
   76    HA   PHE   9           HA       PHE   9   7.441  -0.612  -8.627
   77    HB2  PHE   9           HB2      PHE   9   8.873  -3.001  -7.471
   78    HB3  PHE   9           HB3      PHE   9   7.243  -2.438  -7.119
   79    HD1  PHE   9           HD2      PHE   9   6.195  -2.001  -9.840
   80    HD2  PHE   9           HD1      PHE   9   8.574  -5.159  -8.264
   81    HE1  PHE   9           HE2      PHE   9   5.301  -3.525 -11.552
   82    HE2  PHE   9           HE1      PHE   9   7.684  -6.688  -9.974
   83    HZ   PHE   9           HZ       PHE   9   6.044  -5.872 -11.620
   84    H    GLU  10           H        GLU  10   7.613   0.762  -6.961
   85    HA   GLU  10           HA       GLU  10  10.251   1.029  -5.675
   86    HB2  GLU  10           HB2      GLU  10   8.584   2.987  -7.008
   87    HB3  GLU  10           HB3      GLU  10   8.903   3.457  -5.344
   88    HG2  GLU  10           HG2      GLU  10  11.152   2.562  -7.085
   89    HG3  GLU  10           HG3      GLU  10  10.510   4.196  -7.245
   90    H    VAL  11           H        VAL  11   6.781   0.981  -5.268
   91    HA   VAL  11           HA       VAL  11   6.483   1.825  -2.660
   92    HB   VAL  11           HB       VAL  11   4.561   0.170  -2.543
   93   HG11  VAL  11          HG11      VAL  11   3.677   2.129  -3.196
   94   HG12  VAL  11          HG12      VAL  11   4.935   2.411  -4.401
   95   HG13  VAL  11          HG13      VAL  11   3.571   1.358  -4.778
   96   HG21  VAL  11          HG21      VAL  11   5.333  -0.348  -5.412
   97   HG22  VAL  11          HG22      VAL  11   5.579  -1.484  -4.086
   98   HG23  VAL  11          HG23      VAL  11   3.944  -1.012  -4.551
   99    H    28J  12           H        28J  12   7.682  -1.212  -3.915
  100    HA   28J  12           HA       28J  12   9.125  -2.060  -1.563
  101    H22  28J  12           HB       28J  12   9.278  -4.263  -2.604
  102    H23  28J  12          HG21      28J  12   7.421  -5.112  -3.672
  103    H24  28J  12          HG22      28J  12   6.683  -3.501  -3.854
  104    H25  28J  12          HG23      28J  12   7.856  -4.087  -5.082
  105    H26  28J  12          HG12      28J  12  10.036  -3.498  -4.989
  106    H27  28J  12          HG13      28J  12   9.482  -1.859  -4.515
  107    H28  28J  12          HD13      28J  12  11.759  -1.726  -3.894
  108    H29  28J  12          HD11      28J  12  11.040  -2.269  -2.348
  109    H30  28J  12          HD12      28J  12  11.850  -3.464  -3.420
  110    H    ALA  13           H        ALA  13   5.749  -2.325  -2.320
  111    HA   ALA  13           HA       ALA  13   3.979  -2.897  -1.001
  112    HB1  ALA  13           HB1      ALA  13   4.716  -5.121  -1.710
  113    HB2  ALA  13           HB2      ALA  13   5.771  -5.219  -0.300
  114    HB3  ALA  13           HB3      ALA  13   4.021  -5.153  -0.089
  Start of MODEL   15
    1    H1   4N3   1           H        DVA   1   3.097   2.671  -1.330
    2    HA   4N3   1           HA       DVA   1   4.430   3.254   1.224
    3    HB   4N3   1           HB       DVA   1   2.046   3.866   1.079
    4   HG13  4N3   1          HG13      DVA   1   2.564   6.135  -0.731
    5   HG11  4N3   1          HG11      DVA   1   1.132   5.120  -0.560
    6   HG12  4N3   1          HG12      DVA   1   2.518   4.539  -1.484
    7   HG22  4N3   1          HG22      DVA   1   3.463   6.480   1.121
    8   HG23  4N3   1          HG23      DVA   1   3.966   5.240   2.270
    9   HG21  4N3   1          HG21      DVA   1   2.296   5.806   2.258
   10    HD2  4N3   1           HD2      DVA   1   3.775  -0.811  -0.685
   11    HD1  4N3   1           HD1      DVA   1   2.299   0.111  -0.315
   12    HE1  4N3   1           HE1      DVA   1   2.443   1.257  -2.504
   13    HE2  4N3   1           HE2      DVA   1   3.961   0.403  -2.868
   14    HF2  4N3   1           HF2      DVA   1   2.578  -1.783  -2.469
   15    HF1  4N3   1           HF1      DVA   1   2.306  -0.892  -3.987
   16    HH1  4N3   1           HH1      DVA   1   0.633  -0.176  -1.578
   17    HH2  4N3   1           HH2      DVA   1   0.243  -1.666  -2.470
   18    HI1  4N3   1           HI1      DVA   1  -0.914   0.561  -3.224
   19    HI2  4N3   1           HI2      DVA   1   0.666   0.960  -3.942
   20    HJ1  4N3   1           HJ1      DVA   1   0.523  -1.432  -5.011
   21    HJ2  4N3   1           HJ2      DVA   1  -0.469  -0.133  -5.715
   22    HK3  4N3   1           HK3      DVA   1  -1.414  -2.214  -3.682
   23    HK2  4N3   1           HK2      DVA   1  -1.834  -2.175  -5.411
   24    HK1  4N3   1           HK1      DVA   1  -2.409  -0.886  -4.326
   25    H    4FO   2           H        4FO   2   4.287   4.072  -2.168
   26    HA   4FO   2           HA       4FO   2   7.031   4.870  -2.399
   27    HB2  4FO   2           HB2      4FO   2   6.868   6.942  -1.348
   28    HB3  4FO   2           HB3      4FO   2   6.485   7.362  -3.040
   29    HG3  4FO   2           HG3      4FO   2   4.360   7.047  -0.792
   30    HG2  4FO   2           HG2      4FO   2   4.045   7.444  -2.519
   31    HZ3  4FO   2           HZ3      4FO   2   4.737   9.565  -2.289
   32    HZ2  4FO   2           HZ1      4FO   2   4.453   9.313  -0.600
   33    HZ1  4FO   2           HZ2      4FO   2   6.009   9.171  -1.257
   34    H    GLY   3           H        GLY   3   7.437   4.257  -4.384
   35    HA2  GLY   3           HA2      GLY   3   6.094   3.370  -6.390
   36    HA3  GLY   3           HA3      GLY   3   5.566   5.041  -6.520
   37    H    SER   4           H        SER   4   7.287   3.118  -8.196
   38    HA   SER   4           HA       SER   4   9.913   4.096  -8.289
   39    HB2  SER   4           HB2      SER   4   8.877   2.013  -9.434
   40    HB3  SER   4           HB3      SER   4   8.465   3.123 -10.741
   41    HG   SER   4           HG       SER   4  10.600   1.948 -10.766
   42    H    TRP   5           H        TRP   5  10.477   4.921 -10.812
   43    HA   TRP   5           HA       TRP   5   9.477   7.649 -10.760
   44    HB2  TRP   5           HB2      TRP   5  11.815   7.563 -11.016
   45    HB3  TRP   5           HB3      TRP   5  11.725   6.266 -12.205
   46    HD1  TRP   5           HD1      TRP   5  10.028   9.763 -12.215
   47    HE1  TRP   5           HE1      TRP   5  10.620  10.918 -14.438
   48    HE3  TRP   5           HE3      TRP   5  13.094   6.185 -14.196
   49    HZ2  TRP   5           HZ2      TRP   5  12.181  10.382 -16.728
   50    HZ3  TRP   5           HZ3      TRP   5  14.096   6.583 -16.408
   51    HH2  TRP   5           HH2      TRP   5  13.648   8.639 -17.646
   52    H    SER   6           H        SER   6  10.192   5.503 -13.510
   53    HA   SER   6           HA       SER   6   8.073   6.716 -15.048
   54    HB2  SER   6           HB2      SER   6  10.113   6.173 -16.213
   55    HB3  SER   6           HB3      SER   6  10.026   4.494 -15.681
   56    HG   SER   6           HG       SER   6   8.093   5.761 -17.328
   57    H    DAB   7           H        DAB   7   8.886   3.287 -14.598
   58    HA   DAB   7           HA       DAB   7   6.012   2.658 -13.840
   59    HB2  DAB   7           HB2      DAB   7   6.208   2.030 -16.223
   60    HB3  DAB   7           HB3      DAB   7   6.064   0.606 -15.159
   61    HG2  DAB   7           HG2      DAB   7   8.865   1.435 -16.028
   62    HG3  DAB   7           HG3      DAB   7   7.811   0.624 -17.241
   63    HD1  DAB   7           HZ3      DAB   7   9.104  -0.430 -14.799
   64    HD2  DAB   7           HZ2      DAB   7   7.516  -0.942 -15.034
   65    HZ1  DAB   7           HZ1      DAB   7   8.650  -1.250 -16.255
   66    H    4FO   8           H        4FO   8   5.985   0.202 -13.187
   67    HA   4FO   8           HA       4FO   8   8.277  -0.818 -11.617
   68    HB2  4FO   8           HB2      4FO   8   6.519  -2.341 -10.582
   69    HB3  4FO   8           HB3      4FO   8   5.269  -1.435 -11.475
   70    HG3  4FO   8           HG3      4FO   8   6.284  -3.817 -12.394
   71    HG2  4FO   8           HG2      4FO   8   7.466  -2.690 -13.150
   72    HZ3  4FO   8           HZ3      4FO   8   4.509  -2.297 -13.473
   73    HZ2  4FO   8           HZ1      4FO   8   5.809  -1.599 -14.380
   74    HZ1  4FO   8           HZ2      4FO   8   5.448  -3.252 -14.496
   75    H    PHE   9           H        PHE   9   7.690  -1.338  -9.184
   76    HA   PHE   9           HA       PHE   9   6.714   1.118  -7.905
   77    HB2  PHE   9           HB2      PHE   9   7.315  -1.504  -6.537
   78    HB3  PHE   9           HB3      PHE   9   6.356  -0.160  -5.925
   79    HD1  PHE   9           HD2      PHE   9   4.616   0.437  -8.200
   80    HD2  PHE   9           HD1      PHE   9   5.874  -3.308  -6.616
   81    HE1  PHE   9           HE2      PHE   9   2.577  -0.618  -9.084
   82    HE2  PHE   9           HE1      PHE   9   3.837  -4.370  -7.499
   83    HZ   PHE   9           HZ       PHE   9   2.185  -3.024  -8.734
   84    H    GLU  10           H        GLU  10   7.912   1.258  -5.574
   85    HA   GLU  10           HA       GLU  10  10.806   1.093  -6.041
   86    HB2  GLU  10           HB2      GLU  10   9.654   3.433  -6.420
   87    HB3  GLU  10           HB3      GLU  10   9.686   3.499  -4.663
   88    HG2  GLU  10           HG2      GLU  10  12.168   2.981  -4.847
   89    HG3  GLU  10           HG3      GLU  10  12.000   3.344  -6.563
   90    H    VAL  11           H        VAL  11   8.183   1.558  -3.717
   91    HA   VAL  11           HA       VAL  11   9.666   1.356  -1.358
   92    HB   VAL  11           HB       VAL  11   7.514   0.529  -0.330
   93   HG11  VAL  11          HG11      VAL  11   8.273   3.006  -0.969
   94   HG12  VAL  11          HG12      VAL  11   6.796   2.914  -1.931
   95   HG13  VAL  11          HG13      VAL  11   6.731   2.655  -0.187
   96   HG21  VAL  11          HG21      VAL  11   5.951   1.215  -2.695
   97   HG22  VAL  11          HG22      VAL  11   6.914  -0.249  -2.894
   98   HG23  VAL  11          HG23      VAL  11   5.764  -0.124  -1.562
   99    H    28J  12           H        28J  12   8.607  -1.028  -3.641
  100    HA   28J  12           HA       28J  12  10.155  -3.216  -2.340
  101    H22  28J  12           HB       28J  12   9.647  -4.548  -4.242
  102    H23  28J  12          HG21      28J  12   7.258  -4.426  -4.535
  103    H24  28J  12          HG22      28J  12   7.249  -2.649  -4.664
  104    H25  28J  12          HG23      28J  12   7.896  -3.637  -6.018
  105    H26  28J  12          HG12      28J  12   9.770  -1.684  -5.387
  106    H27  28J  12          HG13      28J  12  11.145  -2.459  -4.536
  107    H28  28J  12          HD13      28J  12   9.799  -3.771  -7.002
  108    H29  28J  12          HD11      28J  12  11.187  -2.646  -7.111
  109    H30  28J  12          HD12      28J  12  11.370  -4.201  -6.227
  110    H    ALA  13           H        ALA  13   6.899  -2.091  -2.256
  111    HA   ALA  13           HA       ALA  13   5.104  -2.752  -1.021
  112    HB1  ALA  13           HB1      ALA  13   5.341  -4.641  -2.758
  113    HB2  ALA  13           HB2      ALA  13   5.942  -5.602  -1.406
  114    HB3  ALA  13           HB3      ALA  13   4.319  -4.915  -1.347
  Start of MODEL   16
    1    H1   4N3   1           H        DVA   1   2.932   2.482  -1.527
    2    HA   4N3   1           HA       DVA   1   4.319   2.009   1.032
    3    HB   4N3   1           HB       DVA   1   3.824   4.414   1.555
    4   HG13  4N3   1          HG13      DVA   1   1.136   3.322   1.318
    5   HG11  4N3   1          HG11      DVA   1   2.080   3.709   2.757
    6   HG12  4N3   1          HG12      DVA   1   2.302   2.157   1.947
    7   HG22  4N3   1          HG22      DVA   1   1.867   5.400   0.332
    8   HG23  4N3   1          HG23      DVA   1   2.063   4.128  -0.873
    9   HG21  4N3   1          HG21      DVA   1   3.355   5.297  -0.607
   10    HD2  4N3   1           HD2      DVA   1   1.783   0.670  -2.411
   11    HD1  4N3   1           HD1      DVA   1   1.971  -0.918  -1.630
   12    HE1  4N3   1           HE1      DVA   1   0.515   1.401  -0.284
   13    HE2  4N3   1           HE2      DVA   1  -0.321   0.234  -1.335
   14    HF2  4N3   1           HF2      DVA   1   1.147  -0.315   1.281
   15    HF1  4N3   1           HF1      DVA   1   0.706  -1.613   0.145
   16    HH1  4N3   1           HH1      DVA   1  -1.106  -1.481   1.727
   17    HH2  4N3   1           HH2      DVA   1  -1.697  -0.693   0.245
   18    HI1  4N3   1           HI1      DVA   1  -0.742   0.610   2.826
   19    HI2  4N3   1           HI2      DVA   1  -0.828   1.521   1.298
   20    HJ1  4N3   1           HJ1      DVA   1  -3.267   0.653   1.123
   21    HJ2  4N3   1           HJ2      DVA   1  -2.943   1.901   2.351
   22    HK3  4N3   1           HK3      DVA   1  -2.404  -0.387   3.782
   23    HK2  4N3   1           HK2      DVA   1  -3.693  -0.966   2.699
   24    HK1  4N3   1           HK1      DVA   1  -3.988   0.426   3.770
   25    H    4FO   2           H        4FO   2   4.221   3.840  -1.978
   26    HA   4FO   2           HA       4FO   2   7.023   3.659  -2.553
   27    HB2  4FO   2           HB2      4FO   2   6.200   6.199  -1.030
   28    HB3  4FO   2           HB3      4FO   2   7.583   5.101  -0.770
   29    HG3  4FO   2           HG3      4FO   2   7.421   6.923  -3.276
   30    HG2  4FO   2           HG2      4FO   2   8.822   5.989  -2.641
   31    HZ3  4FO   2           HZ3      4FO   2   9.409   7.700  -1.382
   32    HZ2  4FO   2           HZ1      4FO   2   8.055   8.629  -1.933
   33    HZ1  4FO   2           HZ2      4FO   2   7.938   7.640  -0.561
   34    H    GLY   3           H        GLY   3   7.612   4.735  -4.497
   35    HA2  GLY   3           HA2      GLY   3   6.106   4.603  -6.624
   36    HA3  GLY   3           HA3      GLY   3   5.427   6.068  -5.931
   37    H    SER   4           H        SER   4   7.134   5.324  -8.398
   38    HA   SER   4           HA       SER   4   8.954   7.614  -8.122
   39    HB2  SER   4           HB2      SER   4  10.150   5.368  -7.917
   40    HB3  SER   4           HB3      SER   4   9.738   5.108  -9.612
   41    HG   SER   4           HG       SER   4  11.579   6.129  -9.873
   42    H    TRP   5           H        TRP   5   9.975   7.866 -10.550
   43    HA   TRP   5           HA       TRP   5   7.646   8.497 -12.169
   44    HB2  TRP   5           HB2      TRP   5   9.168  10.288 -12.070
   45    HB3  TRP   5           HB3      TRP   5  10.560   9.234 -12.307
   46    HD1  TRP   5           HD1      TRP   5   7.382   9.675 -14.502
   47    HE1  TRP   5           HE1      TRP   5   8.150  10.197 -16.902
   48    HE3  TRP   5           HE3      TRP   5  12.433   9.803 -13.726
   49    HZ2  TRP   5           HZ2      TRP   5  10.577  10.608 -18.284
   50    HZ3  TRP   5           HZ3      TRP   5  13.909  10.267 -15.640
   51    HH2  TRP   5           HH2      TRP   5  12.998  10.660 -17.871
   52    H    SER   6           H        SER   6  10.848   7.250 -13.106
   53    HA   SER   6           HA       SER   6  10.028   6.042 -15.465
   54    HB2  SER   6           HB2      SER   6  12.394   6.458 -14.856
   55    HB3  SER   6           HB3      SER   6  12.302   5.156 -13.670
   56    HG   SER   6           HG       SER   6  12.744   3.855 -15.244
   57    H    DAB   7           H        DAB   7   9.886   3.798 -16.042
   58    HA   DAB   7           HA       DAB   7   7.935   2.203 -14.661
   59    HB2  DAB   7           HB2      DAB   7  10.226   1.280 -16.529
   60    HB3  DAB   7           HB3      DAB   7   8.629   1.896 -17.032
   61    HG2  DAB   7           HG2      DAB   7   7.511  -0.079 -15.912
   62    HG3  DAB   7           HG3      DAB   7   9.125  -0.784 -15.539
   63    HD1  DAB   7           HZ3      DAB   7   9.213  -0.213 -18.267
   64    HD2  DAB   7           HZ2      DAB   7   8.944  -1.712 -17.546
   65    HZ1  DAB   7           HZ1      DAB   7   7.600  -0.788 -18.007
   66    H    4FO   8           H        4FO   8   8.239   0.063 -13.722
   67    HA   4FO   8           HA       4FO   8  10.583  -0.016 -11.771
   68    HB2  4FO   8           HB2      4FO   8   9.830  -2.469 -11.433
   69    HB3  4FO   8           HB3      4FO   8   8.741  -2.235 -12.827
   70    HG3  4FO   8           HG3      4FO   8  11.832  -2.357 -12.877
   71    HG2  4FO   8           HG2      4FO   8  10.869  -1.649 -14.223
   72    HZ3  4FO   8           HZ3      4FO   8  10.723  -4.482 -13.250
   73    HZ2  4FO   8           HZ1      4FO   8   9.608  -3.779 -14.373
   74    HZ1  4FO   8           HZ2      4FO   8  11.261  -3.890 -14.733
   75    H    PHE   9           H        PHE   9   9.685  -1.463  -9.771
   76    HA   PHE   9           HA       PHE   9   7.315  -0.001  -8.806
   77    HB2  PHE   9           HB2      PHE   9   8.202  -2.684  -7.756
   78    HB3  PHE   9           HB3      PHE   9   6.650  -1.884  -7.528
   79    HD1  PHE   9           HD2      PHE   9   6.058  -1.061 -10.311
   80    HD2  PHE   9           HD1      PHE   9   7.627  -4.700  -8.759
   81    HE1  PHE   9           HE2      PHE   9   5.147  -2.276 -12.248
   82    HE2  PHE   9           HE1      PHE   9   6.720  -5.921 -10.694
   83    HZ   PHE   9           HZ       PHE   9   5.477  -4.709 -12.440
   84    H    GLU  10           H        GLU  10   7.533   1.178  -7.003
   85    HA   GLU  10           HA       GLU  10  10.041   0.897  -5.482
   86    HB2  GLU  10           HB2      GLU  10   8.571   3.287  -6.465
   87    HB3  GLU  10           HB3      GLU  10   9.349   3.410  -4.893
   88    HG2  GLU  10           HG2      GLU  10  10.899   4.228  -6.454
   89    HG3  GLU  10           HG3      GLU  10  11.464   2.620  -6.006
   90    H    VAL  11           H        VAL  11   6.582   1.211  -5.360
   91    HA   VAL  11           HA       VAL  11   6.142   1.870  -2.709
   92    HB   VAL  11           HB       VAL  11   4.039   0.466  -2.916
   93   HG11  VAL  11          HG11      VAL  11   3.595   2.647  -3.396
   94   HG12  VAL  11          HG12      VAL  11   4.824   2.736  -4.659
   95   HG13  VAL  11          HG13      VAL  11   3.280   1.947  -4.983
   96   HG21  VAL  11          HG21      VAL  11   4.753   0.201  -5.812
   97   HG22  VAL  11          HG22      VAL  11   5.214  -1.048  -4.655
   98   HG23  VAL  11          HG23      VAL  11   3.513  -0.646  -4.887
   99    H    28J  12           H        28J  12   7.279  -1.079  -4.135
  100    HA   28J  12           HA       28J  12   8.215  -2.311  -1.676
  101    H22  28J  12           HB       28J  12   8.667  -4.281  -2.967
  102    H23  28J  12          HG21      28J  12   6.259  -3.446  -4.544
  103    H24  28J  12          HG22      28J  12   7.617  -3.920  -5.595
  104    H25  28J  12          HG23      28J  12   7.009  -5.069  -4.354
  105    H26  28J  12          HG12      28J  12   8.977  -1.906  -4.921
  106    H27  28J  12          HG13      28J  12   9.965  -2.118  -3.440
  107    H28  28J  12          HD13      28J  12   9.824  -4.384  -5.535
  108    H29  28J  12          HD11      28J  12  10.948  -3.003  -5.718
  109    H30  28J  12          HD12      28J  12  11.078  -4.070  -4.276
  110    H    ALA  13           H        ALA  13   5.072  -2.193  -3.081
  111    HA   ALA  13           HA       ALA  13   3.058  -2.999  -2.390
  112    HB1  ALA  13           HB1      ALA  13   4.415  -5.183  -2.839
  113    HB2  ALA  13           HB2      ALA  13   4.361  -5.344  -1.083
  114    HB3  ALA  13           HB3      ALA  13   2.862  -5.259  -2.007
  Start of MODEL   17
    1    H1   4N3   1           H        DVA   1   1.107   3.464  -1.353
    2    HA   4N3   1           HA       DVA   1   3.355   4.205  -0.103
    3    HB   4N3   1           HB       DVA   1   2.514   6.598  -0.146
    4   HG13  4N3   1          HG13      DVA   1   1.881   5.190   1.658
    5   HG11  4N3   1          HG11      DVA   1   0.713   4.325   0.660
    6   HG12  4N3   1          HG12      DVA   1   0.415   6.005   1.109
    7   HG22  4N3   1          HG22      DVA   1  -0.065   5.780  -1.249
    8   HG23  4N3   1          HG23      DVA   1   1.236   5.809  -2.439
    9   HG21  4N3   1          HG21      DVA   1   0.863   7.258  -1.505
   10    HD2  4N3   1           HD2      DVA   1   2.924   0.651  -2.916
   11    HD1  4N3   1           HD1      DVA   1   3.472   1.134  -1.293
   12    HE1  4N3   1           HE1      DVA   1   1.128   1.385  -0.551
   13    HE2  4N3   1           HE2      DVA   1   0.549   0.990  -2.186
   14    HF2  4N3   1           HF2      DVA   1   2.237  -0.877  -0.448
   15    HF1  4N3   1           HF1      DVA   1   1.516  -1.264  -2.030
   16    HH1  4N3   1           HH1      DVA   1  -0.738  -1.045  -1.125
   17    HH2  4N3   1           HH2      DVA   1  -0.107  -0.433   0.422
   18    HI1  4N3   1           HI1      DVA   1   0.461  -3.211  -0.728
   19    HI2  4N3   1           HI2      DVA   1   1.008  -2.595   0.851
   20    HJ1  4N3   1           HJ1      DVA   1  -1.605  -2.125   1.187
   21    HJ2  4N3   1           HJ2      DVA   1  -0.923  -3.737   1.503
   22    HK3  4N3   1           HK3      DVA   1  -1.485  -3.632  -1.295
   23    HK2  4N3   1           HK2      DVA   1  -2.912  -2.962  -0.469
   24    HK1  4N3   1           HK1      DVA   1  -2.329  -4.593  -0.057
   25    H    4FO   2           H        4FO   2   5.179   3.843  -1.341
   26    HA   4FO   2           HA       4FO   2   7.097   4.535  -2.543
   27    HB2  4FO   2           HB2      4FO   2   6.161   6.816  -1.334
   28    HB3  4FO   2           HB3      4FO   2   7.620   6.706  -2.356
   29    HG3  4FO   2           HG3      4FO   2   5.125   7.386  -3.929
   30    HG2  4FO   2           HG2      4FO   2   6.794   8.059  -3.986
   31    HZ3  4FO   2           HZ3      4FO   2   5.205   9.720  -3.190
   32    HZ2  4FO   2           HZ1      4FO   2   4.835   8.742  -1.810
   33    HZ1  4FO   2           HZ2      4FO   2   6.394   9.364  -2.050
   34    H    GLY   3           H        GLY   3   7.865   4.849  -4.649
   35    HA2  GLY   3           HA2      GLY   3   6.516   3.715  -6.697
   36    HA3  GLY   3           HA3      GLY   3   6.005   5.394  -6.795
   37    H    SER   4           H        SER   4   7.849   3.444  -8.380
   38    HA   SER   4           HA       SER   4  10.452   4.478  -8.346
   39    HB2  SER   4           HB2      SER   4   9.648   2.354  -9.486
   40    HB3  SER   4           HB3      SER   4   9.068   3.381 -10.797
   41    HG   SER   4           HG       SER   4  11.095   2.810 -11.383
   42    H    TRP   5           H        TRP   5  11.156   5.302 -10.820
   43    HA   TRP   5           HA       TRP   5  10.095   8.005 -10.862
   44    HB2  TRP   5           HB2      TRP   5  12.445   7.961 -10.988
   45    HB3  TRP   5           HB3      TRP   5  12.445   6.653 -12.168
   46    HD1  TRP   5           HD1      TRP   5  10.686  10.117 -12.304
   47    HE1  TRP   5           HE1      TRP   5  11.378  11.264 -14.502
   48    HE3  TRP   5           HE3      TRP   5  13.921   6.580 -14.081
   49    HZ2  TRP   5           HZ2      TRP   5  13.071  10.738 -16.698
   50    HZ3  TRP   5           HZ3      TRP   5  15.035   6.978 -16.238
   51    HH2  TRP   5           HH2      TRP   5  14.617   9.015 -17.519
   52    H    SER   6           H        SER   6  11.003   5.849 -13.547
   53    HA   SER   6           HA       SER   6   8.961   7.010 -15.219
   54    HB2  SER   6           HB2      SER   6   9.835   5.302 -16.894
   55    HB3  SER   6           HB3      SER   6  11.006   6.490 -16.322
   56    HG   SER   6           HG       SER   6  11.750   4.263 -16.333
   57    H    DAB   7           H        DAB   7   9.766   3.595 -14.664
   58    HA   DAB   7           HA       DAB   7   6.879   2.960 -13.992
   59    HB2  DAB   7           HB2      DAB   7   8.362   0.922 -15.678
   60    HB3  DAB   7           HB3      DAB   7   7.876   2.426 -16.505
   61    HG2  DAB   7           HG2      DAB   7   6.051   0.317 -15.217
   62    HG3  DAB   7           HG3      DAB   7   6.095   0.830 -16.942
   63    HD1  DAB   7           HZ3      DAB   7   4.325   1.718 -15.066
   64    HD2  DAB   7           HZ2      DAB   7   5.507   2.912 -14.939
   65    HZ1  DAB   7           HZ1      DAB   7   4.777   2.658 -16.448
   66    H    4FO   8           H        4FO   8   6.871   0.445 -13.453
   67    HA   4FO   8           HA       4FO   8   9.150  -0.560 -11.840
   68    HB2  4FO   8           HB2      4FO   8   7.345  -2.161 -10.920
   69    HB3  4FO   8           HB3      4FO   8   6.174  -1.311 -11.965
   70    HG3  4FO   8           HG3      4FO   8   8.499  -3.138 -12.888
   71    HG2  4FO   8           HG2      4FO   8   7.646  -2.001 -13.992
   72    HZ3  4FO   8           HZ3      4FO   8   6.606  -4.155 -14.136
   73    HZ2  4FO   8           HZ1      4FO   8   6.278  -4.181 -12.436
   74    HZ1  4FO   8           HZ2      4FO   8   5.542  -3.041 -13.452
   75    H    PHE   9           H        PHE   9   8.299  -1.278  -9.464
   76    HA   PHE   9           HA       PHE   9   7.446   1.213  -8.144
   77    HB2  PHE   9           HB2      PHE   9   7.351  -1.539  -6.913
   78    HB3  PHE   9           HB3      PHE   9   6.536  -0.077  -6.367
   79    HD1  PHE   9           HD2      PHE   9   5.377   0.901  -8.896
   80    HD2  PHE   9           HD1      PHE   9   5.626  -3.039  -7.304
   81    HE1  PHE   9           HE2      PHE   9   3.374   0.261 -10.174
   82    HE2  PHE   9           HE1      PHE   9   3.625  -3.685  -8.581
   83    HZ   PHE   9           HZ       PHE   9   2.495  -2.034 -10.017
   84    H    GLU  10           H        GLU  10   8.300   1.239  -5.761
   85    HA   GLU  10           HA       GLU  10  11.144   0.478  -5.772
   86    HB2  GLU  10           HB2      GLU  10   9.878   3.122  -5.218
   87    HB3  GLU  10           HB3      GLU  10  11.305   2.672  -4.295
   88    HG2  GLU  10           HG2      GLU  10  11.173   2.694  -7.299
   89    HG3  GLU  10           HG3      GLU  10  11.779   4.027  -6.317
   90    H    VAL  11           H        VAL  11   8.274   1.208  -3.862
   91    HA   VAL  11           HA       VAL  11   9.301   0.683  -1.315
   92    HB   VAL  11           HB       VAL  11   6.947   0.189  -0.663
   93   HG11  VAL  11          HG11      VAL  11   8.078   2.562  -1.282
   94   HG12  VAL  11          HG12      VAL  11   6.663   2.594  -2.336
   95   HG13  VAL  11          HG13      VAL  11   6.463   2.389  -0.595
   96   HG21  VAL  11          HG21      VAL  11   5.664   1.002  -3.077
   97   HG22  VAL  11          HG22      VAL  11   6.691  -0.391  -3.417
   98   HG23  VAL  11          HG23      VAL  11   5.456  -0.491  -2.162
   99    H    28J  12           H        28J  12   8.323  -1.407  -3.904
  100    HA   28J  12           HA       28J  12   9.384  -3.853  -2.616
  101    H22  28J  12           HB       28J  12   8.848  -5.001  -4.628
  102    H23  28J  12          HG21      28J  12   6.903  -2.678  -5.324
  103    H24  28J  12          HG22      28J  12   7.330  -4.005  -6.434
  104    H25  28J  12          HG23      28J  12   6.462  -4.369  -4.903
  105    H26  28J  12          HG12      28J  12   9.812  -3.536  -6.417
  106    H27  28J  12          HG13      28J  12   9.515  -2.087  -5.402
  107    H28  28J  12          HD13      28J  12  11.302  -4.396  -4.376
  108    H29  28J  12          HD11      28J  12  11.938  -3.066  -5.390
  109    H30  28J  12          HD12      28J  12  11.207  -2.693  -3.791
  110    H    ALA  13           H        ALA  13   6.236  -2.381  -2.883
  111    HA   ALA  13           HA       ALA  13   4.299  -2.824  -1.764
  112    HB1  ALA  13           HB1      ALA  13   4.184  -4.502  -3.565
  113    HB2  ALA  13           HB2      ALA  13   4.957  -5.674  -2.498
  114    HB3  ALA  13           HB3      ALA  13   3.366  -5.030  -2.095
  Start of MODEL   18
    1    H1   4N3   1           H        DVA   1   3.159   3.794  -0.419
    2    HA   4N3   1           HA       DVA   1   4.903   1.544  -0.189
    3    HB   4N3   1           HB       DVA   1   3.859   1.629   2.098
    4   HG13  4N3   1          HG13      DVA   1   4.235   3.394   3.570
    5   HG11  4N3   1          HG11      DVA   1   3.848   4.202   2.051
    6   HG12  4N3   1          HG12      DVA   1   5.527   4.073   2.578
    7   HG22  4N3   1          HG22      DVA   1   6.543   1.290   1.329
    8   HG23  4N3   1          HG23      DVA   1   5.735   0.629   2.750
    9   HG21  4N3   1          HG21      DVA   1   6.569   2.180   2.850
   10    HD2  4N3   1           HD2      DVA   1   3.390   0.828  -1.641
   11    HD1  4N3   1           HD1      DVA   1   2.826  -0.101  -0.232
   12    HE1  4N3   1           HE1      DVA   1   1.486  -0.630  -2.275
   13    HE2  4N3   1           HE2      DVA   1   0.482   0.120  -1.013
   14    HF2  4N3   1           HF2      DVA   1   1.789   1.703  -3.276
   15    HF1  4N3   1           HF1      DVA   1   0.551   2.273  -2.130
   16    HH1  4N3   1           HH1      DVA   1  -0.006  -0.124  -3.903
   17    HH2  4N3   1           HH2      DVA   1  -0.197   1.525  -4.545
   18    HI1  4N3   1           HI1      DVA   1  -1.727   0.150  -2.320
   19    HI2  4N3   1           HI2      DVA   1  -1.573   1.924  -2.313
   20    HJ1  4N3   1           HJ1      DVA   1  -2.654   0.245  -4.630
   21    HJ2  4N3   1           HJ2      DVA   1  -2.508   2.019  -4.613
   22    HK3  4N3   1           HK3      DVA   1  -4.561   0.286  -3.375
   23    HK2  4N3   1           HK2      DVA   1  -4.633   2.018  -3.781
   24    HK1  4N3   1           HK1      DVA   1  -3.893   1.493  -2.250
   25    H    4FO   2           H        4FO   2   4.554   4.023  -1.686
   26    HA   4FO   2           HA       4FO   2   7.325   4.748  -2.026
   27    HB2  4FO   2           HB2      4FO   2   7.355   6.059  -0.032
   28    HB3  4FO   2           HB3      4FO   2   7.129   7.200  -1.385
   29    HG3  4FO   2           HG3      4FO   2   4.821   6.291   0.490
   30    HG2  4FO   2           HG2      4FO   2   4.735   7.491  -0.848
   31    HZ3  4FO   2           HZ3      4FO   2   6.771   8.010   1.235
   32    HZ2  4FO   2           HZ1      4FO   2   5.751   9.097   0.352
   33    HZ1  4FO   2           HZ2      4FO   2   5.148   8.190   1.651
   34    H    GLY   3           H        GLY   3   7.630   5.742  -3.940
   35    HA2  GLY   3           HA2      GLY   3   5.328   5.979  -5.655
   36    HA3  GLY   3           HA3      GLY   3   6.096   7.521  -5.309
   37    H    SER   4           H        SER   4   5.961   5.088  -7.493
   38    HA   SER   4           HA       SER   4   8.761   5.435  -8.333
   39    HB2  SER   4           HB2      SER   4   7.701   3.398  -9.891
   40    HB3  SER   4           HB3      SER   4   8.716   3.189  -8.464
   41    HG   SER   4           HG       SER   4   6.663   3.283  -7.259
   42    H    TRP   5           H        TRP   5   9.241   5.989 -10.458
   43    HA   TRP   5           HA       TRP   5   7.098   7.412 -11.835
   44    HB2  TRP   5           HB2      TRP   5   9.010   8.764 -11.614
   45    HB3  TRP   5           HB3      TRP   5  10.099   7.448 -12.042
   46    HD1  TRP   5           HD1      TRP   5   7.072   8.902 -14.001
   47    HE1  TRP   5           HE1      TRP   5   7.888   9.514 -16.365
   48    HE3  TRP   5           HE3      TRP   5  12.019   7.718 -13.486
   49    HZ2  TRP   5           HZ2      TRP   5  10.307   9.497 -17.818
   50    HZ3  TRP   5           HZ3      TRP   5  13.517   8.045 -15.411
   51    HH2  TRP   5           HH2      TRP   5  12.676   8.916 -17.531
   52    H    SER   6           H        SER   6   9.878   5.564 -13.075
   53    HA   SER   6           HA       SER   6   8.716   4.882 -15.506
   54    HB2  SER   6           HB2      SER   6  11.175   4.642 -14.680
   55    HB3  SER   6           HB3      SER   6  10.665   3.040 -14.148
   56    HG   SER   6           HG       SER   6  11.458   2.886 -16.234
   57    H    DAB   7           H        DAB   7   8.752   2.304 -16.024
   58    HA   DAB   7           HA       DAB   7   6.256   1.148 -15.160
   59    HB2  DAB   7           HB2      DAB   7   7.644  -1.104 -15.806
   60    HB3  DAB   7           HB3      DAB   7   8.806   0.096 -16.434
   61    HG2  DAB   7           HG2      DAB   7   5.861  -0.072 -17.339
   62    HG3  DAB   7           HG3      DAB   7   7.230  -0.835 -18.224
   63    HD1  DAB   7           HZ3      DAB   7   7.925   1.242 -18.980
   64    HD2  DAB   7           HZ2      DAB   7   6.278   1.546 -18.795
   65    HZ1  DAB   7           HZ1      DAB   7   7.338   2.095 -17.592
   66    H    4FO   8           H        4FO   8   9.581   0.580 -13.933
   67    HA   4FO   8           HA       4FO   8  10.377  -0.299 -11.876
   68    HB2  4FO   8           HB2      4FO   8   9.113  -2.427 -11.125
   69    HB3  4FO   8           HB3      4FO   8   7.957  -2.103 -12.445
   70    HG3  4FO   8           HG3      4FO   8   9.643  -2.567 -14.187
   71    HG2  4FO   8           HG2      4FO   8   9.649  -3.896 -12.973
   72    HZ3  4FO   8           HZ3      4FO   8  11.724  -3.403 -12.249
   73    HZ2  4FO   8           HZ1      4FO   8  11.891  -2.654 -13.802
   74    HZ1  4FO   8           HZ2      4FO   8  11.529  -1.738 -12.422
   75    H    PHE   9           H        PHE   9   9.389  -1.218  -9.622
   76    HA   PHE   9           HA       PHE   9   7.540   0.886  -8.706
   77    HB2  PHE   9           HB2      PHE   9   7.921  -1.769  -7.329
   78    HB3  PHE   9           HB3      PHE   9   6.623  -0.601  -7.102
   79    HD1  PHE   9           HD2      PHE   9   5.907  -0.033  -9.916
   80    HD2  PHE   9           HD1      PHE   9   6.807  -3.706  -7.964
   81    HE1  PHE   9           HE2      PHE   9   4.533  -1.240 -11.562
   82    HE2  PHE   9           HE1      PHE   9   5.435  -4.919  -9.607
   83    HZ   PHE   9           HZ       PHE   9   4.295  -3.686 -11.408
   84    H    GLU  10           H        GLU  10   7.996   1.943  -6.778
   85    HA   GLU  10           HA       GLU  10  10.724   1.524  -5.747
   86    HB2  GLU  10           HB2      GLU  10  10.370   3.672  -6.960
   87    HB3  GLU  10           HB3      GLU  10   9.148   4.102  -5.772
   88    HG2  GLU  10           HG2      GLU  10  11.256   5.188  -5.281
   89    HG3  GLU  10           HG3      GLU  10  10.826   4.047  -4.008
   90    H    VAL  11           H        VAL  11   7.372   1.781  -4.988
   91    HA   VAL  11           HA       VAL  11   7.356   2.485  -2.322
   92    HB   VAL  11           HB       VAL  11   5.320   1.088  -2.092
   93   HG11  VAL  11          HG11      VAL  11   4.161   2.717  -3.079
   94   HG12  VAL  11          HG12      VAL  11   5.709   3.338  -3.655
   95   HG13  VAL  11          HG13      VAL  11   4.750   2.269  -4.679
   96   HG21  VAL  11          HG21      VAL  11   6.480  -0.236  -4.380
   97   HG22  VAL  11          HG22      VAL  11   5.171  -0.762  -3.322
   98   HG23  VAL  11          HG23      VAL  11   4.824   0.271  -4.709
   99    H    28J  12           H        28J  12   8.381  -0.467  -3.846
  100    HA   28J  12           HA       28J  12   9.710  -1.530  -1.435
  101    H22  28J  12           HB       28J  12  10.591  -1.948  -3.716
  102    H23  28J  12          HG21      28J  12   9.708  -4.501  -2.178
  103    H24  28J  12          HG22      28J  12  10.962  -4.467  -3.443
  104    H25  28J  12          HG23      28J  12  11.209  -3.548  -1.919
  105    H26  28J  12          HG12      28J  12   7.969  -3.536  -4.114
  106    H27  28J  12          HG13      28J  12   8.494  -2.056  -4.980
  107    H28  28J  12          HD13      28J  12   8.913  -3.978  -6.464
  108    H29  28J  12          HD11      28J  12  10.497  -3.352  -5.914
  109    H30  28J  12          HD12      28J  12   9.826  -4.847  -5.173
  110    H    ALA  13           H        ALA  13   6.580  -2.041  -2.915
  111    HA   ALA  13           HA       ALA  13   4.692  -3.004  -2.075
  112    HB1  ALA  13           HB1      ALA  13   4.796  -5.280  -1.874
  113    HB2  ALA  13           HB2      ALA  13   6.331  -4.971  -2.686
  114    HB3  ALA  13           HB3      ALA  13   6.293  -5.241  -0.943
  Start of MODEL   19
    1    H1   4N3   1           H        DVA   1   4.147   4.275   0.471
    2    HA   4N3   1           HA       DVA   1   5.275   1.835  -0.694
    3    HB   4N3   1           HB       DVA   1   6.659   1.757   1.380
    4   HG13  4N3   1          HG13      DVA   1   4.884   0.996   2.816
    5   HG11  4N3   1          HG11      DVA   1   4.501   0.560   1.151
    6   HG12  4N3   1          HG12      DVA   1   3.696   1.935   1.909
    7   HG22  4N3   1          HG22      DVA   1   4.909   4.043   2.283
    8   HG23  4N3   1          HG23      DVA   1   6.611   4.185   1.844
    9   HG21  4N3   1          HG21      DVA   1   6.138   3.212   3.236
   10    HD2  4N3   1           HD2      DVA   1   2.695   1.746  -2.296
   11    HD1  4N3   1           HD1      DVA   1   3.092   1.419  -0.592
   12    HE1  4N3   1           HE1      DVA   1   1.102   2.530   0.183
   13    HE2  4N3   1           HE2      DVA   1   0.805   3.264  -1.411
   14    HF2  4N3   1           HF2      DVA   1   0.807   0.247  -0.931
   15    HF1  4N3   1           HF1      DVA   1   0.251   1.112  -2.384
   16    HH1  4N3   1           HH1      DVA   1  -1.794   0.751  -1.313
   17    HH2  4N3   1           HH2      DVA   1  -1.355   2.334  -0.628
   18    HI1  4N3   1           HI1      DVA   1  -0.145   0.918   1.231
   19    HI2  4N3   1           HI2      DVA   1  -1.917   1.072   1.296
   20    HJ1  4N3   1           HJ1      DVA   1  -0.309  -1.278   0.191
   21    HJ2  4N3   1           HJ2      DVA   1  -2.069  -1.105  -0.011
   22    HK3  4N3   1           HK3      DVA   1  -0.783  -0.949   2.740
   23    HK2  4N3   1           HK2      DVA   1  -1.207  -2.517   2.014
   24    HK1  4N3   1           HK1      DVA   1  -2.476  -1.308   2.325
   25    H    4FO   2           H        4FO   2   5.574   4.228  -2.129
   26    HA   4FO   2           HA       4FO   2   8.402   4.102  -2.774
   27    HB2  4FO   2           HB2      4FO   2   8.604   5.502  -0.664
   28    HB3  4FO   2           HB3      4FO   2   9.217   6.247  -2.164
   29    HG3  4FO   2           HG3      4FO   2   6.382   7.045  -1.328
   30    HG2  4FO   2           HG2      4FO   2   7.678   7.972  -2.165
   31    HZ3  4FO   2           HZ3      4FO   2   7.071   8.049   0.575
   32    HZ2  4FO   2           HZ1      4FO   2   8.658   7.377   0.414
   33    HZ1  4FO   2           HZ2      4FO   2   8.262   8.867  -0.291
   34    H    GLY   3           H        GLY   3   8.814   4.956  -4.756
   35    HA2  GLY   3           HA2      GLY   3   6.468   5.749  -6.275
   36    HA3  GLY   3           HA3      GLY   3   7.742   6.955  -6.177
   37    H    SER   4           H        SER   4   9.183   6.937  -7.761
   38    HA   SER   4           HA       SER   4  10.383   6.287  -9.581
   39    HB2  SER   4           HB2      SER   4  10.288   3.658  -8.091
   40    HB3  SER   4           HB3      SER   4  11.258   3.919  -9.540
   41    HG   SER   4           HG       SER   4  11.461   5.538  -7.224
   42    H    TRP   5           H        TRP   5   8.929   6.610 -11.215
   43    HA   TRP   5           HA       TRP   5   6.966   4.568 -11.848
   44    HB2  TRP   5           HB2      TRP   5   6.122   6.745 -12.142
   45    HB3  TRP   5           HB3      TRP   5   7.586   7.298 -12.952
   46    HD1  TRP   5           HD1      TRP   5   5.244   4.318 -13.817
   47    HE1  TRP   5           HE1      TRP   5   4.535   4.565 -16.279
   48    HE3  TRP   5           HE3      TRP   5   7.577   8.737 -14.894
   49    HZ2  TRP   5           HZ2      TRP   5   4.916   6.391 -18.398
   50    HZ3  TRP   5           HZ3      TRP   5   7.355   9.666 -17.162
   51    HH2  TRP   5           HH2      TRP   5   6.052   8.515 -18.876
   52    H    SER   6           H        SER   6   9.217   6.329 -13.972
   53    HA   SER   6           HA       SER   6   9.425   4.030 -15.706
   54    HB2  SER   6           HB2      SER   6  10.982   5.556 -17.006
   55    HB3  SER   6           HB3      SER   6   9.332   6.146 -16.807
   56    HG   SER   6           HG       SER   6  10.375   7.862 -16.128
   57    H    DAB   7           H        DAB   7  10.283   2.957 -13.588
   58    HA   DAB   7           HA       DAB   7  12.997   2.105 -14.160
   59    HB2  DAB   7           HB2      DAB   7  12.695   3.837 -11.610
   60    HB3  DAB   7           HB3      DAB   7  13.548   4.304 -13.106
   61    HG2  DAB   7           HG2      DAB   7  15.119   2.276 -12.724
   62    HG3  DAB   7           HG3      DAB   7  14.437   2.153 -11.063
   63    HD1  DAB   7           HZ3      DAB   7  16.391   3.994 -12.154
   64    HD2  DAB   7           HZ2      DAB   7  15.091   4.847 -11.505
   65    HZ1  DAB   7           HZ1      DAB   7  15.922   3.762 -10.503
   66    H    4FO   8           H        4FO   8  10.378   1.017 -13.764
   67    HA   4FO   8           HA       4FO   8  10.963  -1.158 -11.796
   68    HB2  4FO   8           HB2      4FO   8   8.566  -1.902 -12.517
   69    HB3  4FO   8           HB3      4FO   8   8.612  -0.539 -13.668
   70    HG3  4FO   8           HG3      4FO   8  10.788  -2.733 -13.807
   71    HG2  4FO   8           HG2      4FO   8  10.269  -1.537 -15.047
   72    HZ3  4FO   8           HZ3      4FO   8   8.935  -3.094 -15.866
   73    HZ2  4FO   8           HZ1      4FO   8   9.143  -4.144 -14.505
   74    HZ1  4FO   8           HZ2      4FO   8   7.972  -2.918 -14.494
   75    H    PHE   9           H        PHE   9   8.989  -1.817 -10.395
   76    HA   PHE   9           HA       PHE   9   7.879   0.562  -9.077
   77    HB2  PHE   9           HB2      PHE   9   7.024  -2.296  -8.628
   78    HB3  PHE   9           HB3      PHE   9   6.154  -0.827  -8.199
   79    HD1  PHE   9           HD2      PHE   9   6.342   0.730 -10.674
   80    HD2  PHE   9           HD1      PHE   9   5.630  -3.425 -10.088
   81    HE1  PHE   9           HE2      PHE   9   5.133   0.639 -12.815
   82    HE2  PHE   9           HE1      PHE   9   4.421  -3.523 -12.229
   83    HZ   PHE   9           HZ       PHE   9   4.170  -1.489 -13.595
   84    H    GLU  10           H        GLU  10   8.379   1.062  -7.015
   85    HA   GLU  10           HA       GLU  10  10.203  -0.766  -5.596
   86    HB2  GLU  10           HB2      GLU  10  11.336   1.101  -4.667
   87    HB3  GLU  10           HB3      GLU  10  11.163   1.436  -6.384
   88    HG2  GLU  10           HG2      GLU  10   9.282   2.904  -5.928
   89    HG3  GLU  10           HG3      GLU  10   9.402   2.542  -4.207
   90    H    VAL  11           H        VAL  11   7.291   1.079  -5.456
   91    HA   VAL  11           HA       VAL  11   6.864   1.418  -2.753
   92    HB   VAL  11           HB       VAL  11   4.404   1.095  -3.292
   93   HG11  VAL  11          HG11      VAL  11   4.618   3.292  -3.546
   94   HG12  VAL  11          HG12      VAL  11   6.261   3.113  -4.167
   95   HG13  VAL  11          HG13      VAL  11   4.885   3.015  -5.267
   96   HG21  VAL  11          HG21      VAL  11   5.341   0.936  -6.144
   97   HG22  VAL  11          HG22      VAL  11   4.935  -0.500  -5.203
   98   HG23  VAL  11          HG23      VAL  11   3.708   0.729  -5.512
   99    H    28J  12           H        28J  12   6.761  -1.473  -4.686
  100    HA   28J  12           HA       28J  12   6.892  -3.374  -2.505
  101    H22  28J  12           HB       28J  12   7.579  -3.945  -4.801
  102    H23  28J  12          HG21      28J  12   6.322  -6.202  -4.978
  103    H24  28J  12          HG22      28J  12   7.014  -5.861  -3.373
  104    H25  28J  12          HG23      28J  12   5.252  -5.641  -3.648
  105    H26  28J  12          HG12      28J  12   5.721  -2.551  -5.918
  106    H27  28J  12          HG13      28J  12   6.113  -4.133  -6.667
  107    H28  28J  12          HD13      28J  12   3.947  -4.543  -4.701
  108    H29  28J  12          HD11      28J  12   3.521  -3.198  -5.803
  109    H30  28J  12          HD12      28J  12   3.941  -4.808  -6.486
  110    H    ALA  13           H        ALA  13   4.195  -1.664  -3.823
  111    HA   ALA  13           HA       ALA  13   2.019  -1.541  -3.168
  112    HB1  ALA  13           HB1      ALA  13   2.042  -3.808  -4.239
  113    HB2  ALA  13           HB2      ALA  13   2.228  -4.495  -2.625
  114    HB3  ALA  13           HB3      ALA  13   0.782  -3.569  -3.028
  Start of MODEL   20
    1    H1   4N3   1           H        DVA   1   3.615   2.289  -0.890
    2    HA   4N3   1           HA       DVA   1   5.488   3.409   1.061
    3    HB   4N3   1           HB       DVA   1   4.088   5.424   1.350
    4   HG13  4N3   1          HG13      DVA   1   4.033   3.299   2.840
    5   HG11  4N3   1          HG11      DVA   1   2.413   3.088   2.175
    6   HG12  4N3   1          HG12      DVA   1   2.813   4.553   3.074
    7   HG22  4N3   1          HG22      DVA   1   2.618   4.301  -0.776
    8   HG23  4N3   1          HG23      DVA   1   2.304   5.810   0.082
    9   HG21  4N3   1          HG21      DVA   1   1.554   4.311   0.630
   10    HD2  4N3   1           HD2      DVA   1   3.188   0.147  -0.849
   11    HD1  4N3   1           HD1      DVA   1   4.238  -0.868   0.166
   12    HE1  4N3   1           HE1      DVA   1   2.111  -1.408   1.015
   13    HE2  4N3   1           HE2      DVA   1   2.602  -0.095   2.111
   14    HF2  4N3   1           HF2      DVA   1   1.443   1.495   0.392
   15    HF1  4N3   1           HF1      DVA   1   0.396   0.513   1.446
   16    HH1  4N3   1           HH1      DVA   1   0.626  -1.251  -0.557
   17    HH2  4N3   1           HH2      DVA   1   0.967   0.217  -1.503
   18    HI1  4N3   1           HI1      DVA   1  -1.559  -0.566  -0.030
   19    HI2  4N3   1           HI2      DVA   1  -1.179   1.160  -0.251
   20    HJ1  4N3   1           HJ1      DVA   1  -0.729   0.402  -2.770
   21    HJ2  4N3   1           HJ2      DVA   1  -2.387   0.731  -2.211
   22    HK3  4N3   1           HK3      DVA   1  -2.933  -1.384  -2.826
   23    HK2  4N3   1           HK2      DVA   1  -1.883  -1.973  -1.516
   24    HK1  4N3   1           HK1      DVA   1  -1.230  -1.780  -3.161
   25    H    4FO   2           H        4FO   2   6.203   2.723  -1.424
   26    HA   4FO   2           HA       4FO   2   7.436   3.553  -3.267
   27    HB2  4FO   2           HB2      4FO   2   6.922   6.386  -2.169
   28    HB3  4FO   2           HB3      4FO   2   8.022   5.246  -1.349
   29    HG3  4FO   2           HG3      4FO   2   8.412   6.378  -4.215
   30    HG2  4FO   2           HG2      4FO   2   9.414   5.084  -3.467
   31    HZ3  4FO   2           HZ3      4FO   2   9.536   6.966  -1.531
   32    HZ2  4FO   2           HZ1      4FO   2  10.669   6.838  -2.834
   33    HZ1  4FO   2           HZ2      4FO   2   9.383   7.941  -2.897
   34    H    GLY   3           H        GLY   3   7.096   4.281  -5.335
   35    HA2  GLY   3           HA2      GLY   3   4.886   4.078  -6.673
   36    HA3  GLY   3           HA3      GLY   3   4.533   5.611  -5.889
   37    H    SER   4           H        SER   4   7.389   4.220  -7.512
   38    HA   SER   4           HA       SER   4   7.958   6.770  -8.750
   39    HB2  SER   4           HB2      SER   4   9.950   5.650  -9.645
   40    HB3  SER   4           HB3      SER   4   9.792   5.351  -7.914
   41    HG   SER   4           HG       SER   4   8.992   3.303  -8.377
   42    H    TRP   5           H        TRP   5   8.441   6.873 -11.109
   43    HA   TRP   5           HA       TRP   5   6.220   5.702 -12.577
   44    HB2  TRP   5           HB2      TRP   5   6.449   8.006 -13.008
   45    HB3  TRP   5           HB3      TRP   5   8.199   7.890 -13.169
   46    HD1  TRP   5           HD1      TRP   5   5.395   5.970 -15.056
   47    HE1  TRP   5           HE1      TRP   5   5.809   6.256 -17.580
   48    HE3  TRP   5           HE3      TRP   5   9.474   9.046 -14.865
   49    HZ2  TRP   5           HZ2      TRP   5   7.625   7.606 -19.267
   50    HZ3  TRP   5           HZ3      TRP   5  10.490   9.789 -16.979
   51    HH2  TRP   5           HH2      TRP   5   9.584   9.083 -19.134
   52    H    SER   6           H        SER   6   9.587   6.302 -13.565
   53    HA   SER   6           HA       SER   6   9.592   4.127 -15.390
   54    HB2  SER   6           HB2      SER   6  11.813   4.740 -15.893
   55    HB3  SER   6           HB3      SER   6  11.036   6.257 -15.444
   56    HG   SER   6           HG       SER   6  13.161   5.751 -14.462
   57    H    DAB   7           H        DAB   7  10.987   2.286 -15.373
   58    HA   DAB   7           HA       DAB   7  11.975   0.331 -14.476
   59    HB2  DAB   7           HB2      DAB   7  13.355   0.527 -12.490
   60    HB3  DAB   7           HB3      DAB   7  12.399   1.910 -11.892
   61    HG2  DAB   7           HG2      DAB   7  13.329   3.377 -13.703
   62    HG3  DAB   7           HG3      DAB   7  14.367   2.032 -14.296
   63    HD1  DAB   7           HZ3      DAB   7  15.513   3.622 -12.759
   64    HD2  DAB   7           HZ2      DAB   7  14.403   3.256 -11.545
   65    HZ1  DAB   7           HZ1      DAB   7  15.464   2.038 -12.061
   66    H    4FO   8           H        4FO   8   9.092   1.228 -13.915
   67    HA   4FO   8           HA       4FO   8   8.291  -1.057 -12.178
   68    HB2  4FO   8           HB2      4FO   8   5.999  -0.383 -12.647
   69    HB3  4FO   8           HB3      4FO   8   6.523   1.253 -13.128
   70    HG3  4FO   8           HG3      4FO   8   5.791  -0.617 -14.981
   71    HG2  4FO   8           HG2      4FO   8   7.527  -1.065 -14.822
   72    HZ3  4FO   8           HZ3      4FO   8   6.625   0.897 -16.460
   73    HZ2  4FO   8           HZ1      4FO   8   7.188   1.804 -15.097
   74    HZ1  4FO   8           HZ2      4FO   8   8.201   0.705 -15.896
   75    H    PHE   9           H        PHE   9   6.844  -0.740 -10.326
   76    HA   PHE   9           HA       PHE   9   7.197   1.745  -8.855
   77    HB2  PHE   9           HB2      PHE   9   5.724  -0.724  -7.937
   78    HB3  PHE   9           HB3      PHE   9   5.541   0.924  -7.344
   79    HD1  PHE   9           HD2      PHE   9   5.315   2.470  -9.800
   80    HD2  PHE   9           HD1      PHE   9   3.676  -1.331  -8.807
   81    HE1  PHE   9           HE2      PHE   9   3.487   2.843 -11.403
   82    HE2  PHE   9           HE1      PHE   9   1.846  -0.964 -10.410
   83    HZ   PHE   9           HZ       PHE   9   1.749   1.125 -11.710
   84    H    GLU  10           H        GLU  10   8.214   1.919  -6.860
   85    HA   GLU  10           HA       GLU  10   9.995  -0.327  -6.174
   86    HB2  GLU  10           HB2      GLU  10  10.440   2.646  -6.106
   87    HB3  GLU  10           HB3      GLU  10  11.418   1.557  -5.131
   88    HG2  GLU  10           HG2      GLU  10  12.451   0.625  -6.956
   89    HG3  GLU  10           HG3      GLU  10  11.128   1.032  -8.048
   90    H    VAL  11           H        VAL  11   7.261   0.244  -5.202
   91    HA   VAL  11           HA       VAL  11   7.368   1.301  -2.579
   92    HB   VAL  11           HB       VAL  11   5.180   0.105  -2.262
   93   HG11  VAL  11          HG11      VAL  11   5.842   2.222  -4.111
   94   HG12  VAL  11          HG12      VAL  11   4.370   1.381  -4.599
   95   HG13  VAL  11          HG13      VAL  11   4.488   2.091  -2.989
   96   HG21  VAL  11          HG21      VAL  11   4.904  -0.502  -5.101
   97   HG22  VAL  11          HG22      VAL  11   6.087  -1.522  -4.282
   98   HG23  VAL  11          HG23      VAL  11   4.428  -1.446  -3.689
   99    H    28J  12           H        28J  12   8.118  -1.771  -3.963
  100    HA   28J  12           HA       28J  12   9.407  -2.916  -1.637
  101    H22  28J  12           HB       28J  12   9.879  -3.692  -3.927
  102    H23  28J  12          HG21      28J  12   9.672  -6.241  -3.467
  103    H24  28J  12          HG22      28J  12  10.443  -5.297  -2.167
  104    H25  28J  12          HG23      28J  12   8.734  -5.825  -1.991
  105    H26  28J  12          HG12      28J  12   7.444  -3.419  -4.732
  106    H27  28J  12          HG13      28J  12   8.345  -4.851  -5.329
  107    H28  28J  12          HD13      28J  12   5.775  -4.857  -4.020
  108    H29  28J  12          HD11      28J  12   6.764  -6.267  -4.508
  109    H30  28J  12          HD12      28J  12   6.932  -5.595  -2.849
  110    H    ALA  13           H        ALA  13   6.060  -2.737  -2.477
  111    HA   ALA  13           HA       ALA  13   4.180  -3.335  -1.342
  112    HB1  ALA  13           HB1      ALA  13   5.741  -5.727  -0.390
  113    HB2  ALA  13           HB2      ALA  13   3.993  -5.579  -0.578
  114    HB3  ALA  13           HB3      ALA  13   5.035  -5.602  -2.001