*HEADER   SERINE PROTEINASE INHIBITOR             06-JUL-94   1TUR    
*COMPND   OVOMUCOID (THIRD DOMAIN) (NMR, 12 STRUCTURES)               
*SOURCE   TURKEY (MELEAGRIS GALLOPAVO)                                
*EXPDTA   NMR                                                         
*AUTHOR   A.M.KREZEL,P.DARBA,A.D.ROBERTSON,J.FEJZO,S.MACURA,          
*AUTHOR  2 J.L.MARKLEY                                                
*REVDAT   1   15-OCT-94 1TUR    0                                      

This is Dspace input file, with Dspace specific atom names.
Methyl groups (starting with 'm') have 1A corrections added 
for each methyl group involved.
Prochiral assignments are indicated with 'r' and 's' (or 'z' 
and 'e')in atom names.
Lines starting with ';' are comments.
Atom names in PDB coordinates file do not correspond to 
the Dspace names in many cases.
c**up7t.cmd                                                                  
; total input for testing      1991-2-26                                      
define/equivalent hbs[5] hbr[5]                                                
define/equivalent hbs[14] hbr[14]                                              
define/equivalent hgs[14] hgr[14]                                              
define/equivalent hbs[19] hbr[19]                                              
define/equivalent hbs[21] hbr[21]                                              
;define/equivalent hbs[22] hbr[22]                                              
define/equivalent hgs[22] hgr[22]                                              
define/equivalent hds[22] hdr[22]                                              
define/equivalent hbs[23] hbr[23]                                              
; equivalence before everything for all aromatics                              
;define/equivalent hd1[11] hd2[11]                                              
;define/equivalent he1[11] he2[11]                                              
;                                                                              
;define/equivalent hd1[20] hd2[20]                                              
;define/equivalent he1[20] he2[20]                                              
;                                                                              
;define/equivalent hd1[31] hd2[31]                                              
;define/equivalent he1[31] he2[31]                                              
;                                                                              
;define/equivalent hd1[37] hd2[37]                                              
;define/equivalent he1[37] he2[37]                                              
;                                                                              
;define/equivalent hd1[53] hd2[53]                                              
;define/equivalent he1[53] he2[53]                                              
;                                                                              
define/bound hn[4] ha[4]   2.83  3.00  ; beta j=8.5
define/bound hn[6] ha[6]   2.83  3.00  ; beta j=9.0
define/bound hn[8] ha[8]   2.83  3.00  ; beta j=9.5
define/bound hn[9] ha[9]   2.78  2.97  ; alpha j=5.1
define/bound hn[11] ha[11]   2.83  3.00  ; beta j=9.3
define/bound hn[13] ha[13]   2.83  3.00  ;beta  j=9.3
define/bound hn[16] ha[16]   2.83  3.00  ; beta j=9.0
define/bound hn[19] ha[19]   2.78  2.97  ; alpha j=5.8
define/bound hn[20] ha[20]   2.83  3.00  ;beta  j=9.0
define/bound hn[21] ha[21]   2.83  3.00  ; beta j=8.6
define/bound hn[23] ha[23]   2.91  3.00  ; bbeta j=10.
define/bound hn[24] ha[24]   2.83  3.00  ; beta j=9.0
define/bound hn[26] ha[26]   2.78  2.97  ; alpha j=4.5
define/bound hn[29] ha[29]   2.91  3.00  ; bbeta j=10.0
define/bound hn[31] ha[31]   2.91  3.00   ; bbeta j=10.0
define/bound hn[34] ha[34]   2.78  2.97  ; alpha j=5.5
define/bound hn[35] ha[35]   2.78  2.97  ; alpha j=4.5
define/bound hn[36] ha[36]   2.78  2.97  ; alpha j=4.9
define/bound hn[37] ha[37]   2.78  2.97  ; alpha  j=5.9
define/bound hn[38] ha[38]   2.78  2.97  ; alpha j=5.7
define/bound hn[40] ha[40]   2.78  2.97  ; alpha j=6.2
define/bound hn[41] ha[41]   2.78  2.97  ; alpha  j=5.5
define/bound hn[42] ha[42]   2.78  2.97  ; alpha j=5.3
define/bound hn[43] ha[43]   2.78  2.97  ; alpha j=6.2
define/bound hn[47] ha[47]   2.83  3.00  ; beta j=8.6
define/bound hn[48] ha[48]   2.83  3.00  ; beta j=8.0
define/bound hn[51] ha[51]   2.83  3.00  ; beta j=9.3
define/bound hn[52] ha[52]   2.78  2.97  ; alpha j=5.3
define/bound hn[55] ha[55]   2.78  2.97  ; alpha j=5.5
define/bound hn[56] ha[56]   2.78  2.97  ; alpha j=5.5
define/bound ha[1] hn[2]   1.90  2.99
define/bound mb[3] hn[4]   1.90  4.36
define/bound mb[3] hn[5]   1.90  5.55
define/bound ha[3] hn[4]   1.90  2.81
define/bound mgr[4] hn[4]   1.90  4.16
define/bound mgr[4] hn[5]   1.90  4.79
define/bound mgr[4] mds[50]   1.90  6.59
define/bound mgr[4] ha[52]   1.90  5.03
define/bound mgr[4] hn[53]   1.90  5.55
define/bound mgs[4] hn[4]   1.90  4.79
define/bound mgs[4] hn[5]   1.90  4.57
define/bound mgs[4] ha[5]   1.90  5.84
define/bound mgs[4] hd2[53]   1.90  6.14
define/bound ha[4] hn[5]   1.90  2.49
define/bound hb[4] mds[50]   1.90  5.84
define/bound hb[4] he2[53]   1.90  5.16
define/bound hn[5] he2[53]   1.90  4.30
define/bound ha[5] mgr[6]   1.90  5.84
define/bound ha[5] hn[6]   1.90  2.81
define/bound ha[5] mds[50]   1.90  5.28
define/bound hbs[5] mgr[6]   1.90  6.14
define/bound hbs[5] mds[50]   1.90  6.14
define/bound mgr[6] hn[6]   1.90  4.16
define/bound mgr[6] hn[7]   1.90  4.79
define/bound mgr[6] mdr[23]   1.90  7.18
define/bound mgr[6] mds[23]   1.90  6.59
define/bound mgr[6] hgs[34]   1.90  5.28
define/bound mgr[6] hes[34]   1.90  6.14
define/bound mgr[6] hd2[37]   1.90  5.03
define/bound mgr[6] he2[37]   1.90  5.03
define/bound mgr[6] mdr[50]   1.90  6.59
define/bound mgr[6] mds[50]   1.90  5.83
define/bound mgr[6] he1[53]   1.90  5.03
define/bound mgs[6] hn[6]   1.90  4.79
define/bound mgs[6] hn[7]   1.90  4.57
define/bound mgs[6] mdr[23]   1.90  6.59
define/bound mgs[6] mds[23]   1.90  6.59
define/bound mgs[6] hes[34]   1.90  5.84
define/bound mgs[6] hd2[37]   1.90  4.79
define/bound mgs[6] he2[37]   1.90  5.03
define/bound mgs[6] mds[50]   1.90  6.32
define/bound mgs[6] he1[53]   1.90  5.03
define/bound hn[6] mds[50]   1.90  5.28
define/bound ha[6] hn[7]   1.90  2.64
define/bound ha[6] mds[50]   1.90  6.46
define/bound hb[6] hn[7]   1.90  4.05
define/bound hb[6] hd2[37]   1.90  4.86
define/bound hb[6] he2[37]   1.90  4.05
define/bound hb[6] mds[50]   1.90  6.14
define/bound hn[7] hbr[7]   1.90  3.58
define/bound hn[7] hbs[7]   1.90  3.58
define/bound hn[8] hbs[8]   1.90  3.81
define/bound hn[8] hbr[8]   1.90  3.81
define/bound hn[8] hn[9]   1.90  3.81
define/bound ha[8] hn[10]   1.90  4.30
define/bound ha[8] hn[11]   1.90  4.57
define/bound ha[8] hd2[11]   1.90  3.17
define/bound ha[8] hbr[38]   1.90  4.30
define/bound ha[8] hbs[38]   1.90  5.16
define/bound hbs[8] hn[9]   1.90  4.57
define/bound hbs[8] hd2[11]   1.90  4.57
define/bound hbs[8] mgr[41]   1.90  5.55
define/bound hbs[8] mgr[42]   1.90  6.14
define/bound hbr[8] hd2[11]   1.90  4.86
define/bound hbr[8] hbs[38]   1.90  4.86
define/bound hbr[8] mgr[41]   1.90  6.14
define/bound hbr[8] mgs[42]   1.90  6.14
define/bound hn[9] hbr[9]   1.90  3.58
define/bound hn[9] hbs[9]   1.90  3.81
define/bound hn[9] hbr[10]   1.90  4.86
define/bound hn[9] hgs[10]   1.90  4.86
define/bound hn[9] hn[11]   1.90  4.86
define/bound hn[9] hd2[11]   1.90  4.57
define/bound ha[9] hbr[9]   1.90  3.17
define/bound ha[9] hn[10]   1.90  3.37
define/bound ha[9] hn[11]   1.90  4.57
define/bound hbr[9] hn[10]   1.90  4.05
define/bound hbs[9] hn[10]   1.90  4.57
define/bound hn[10] hbs[10]   1.90  3.81
define/bound hn[10] hgs[10]   1.90  3.37
define/bound hn[10] hn[11]   1.90  3.58
define/bound hn[10] hd2[11]   1.90  3.58
define/bound hbr[10] hn[11]   1.90  4.30
define/bound hgs[10] hn[11]   1.90  4.86
define/bound hn[11] hd2[11]   1.90  3.37
define/bound hn[11] ha[12]   1.90  4.30
define/bound hn[11] mgr[42]   1.90  5.28
define/bound ha[11] hd1[11]   1.90  3.81
define/bound ha[11] ha[12]   1.90  3.37
define/bound ha[11] hn[13]   1.90  4.05
define/bound ha[11] hgr[13]   1.90  3.81
define/bound hbr[11] hd2[11]   1.90  3.58
define/bound hbr[11] ha[12]   1.90  3.58
define/bound hbr[11] mgr[42]   1.90  5.28
define/bound hbr[11] mgs[42]   1.90  5.55
define/bound hbs[11] hd1[11]   1.90  3.37
define/bound hbs[11] ha[12]   1.90  3.17
define/bound hbs[11] hn[13]   1.90  4.30
define/bound hbs[11] mgr[42]   1.90  5.03
define/bound hbs[11] mgs[42]   1.90  5.55
define/bound hd1[11] ha[12]   1.90  3.37
define/bound hd1[11] hn[13]   1.90  3.58
define/bound hd1[11] hn[39]   1.90  4.30
define/bound hd1[11] ha[39]   1.90  4.57
define/bound hd2[11] hbr[38]   1.90  3.81
define/bound hd2[11] hbs[38]   1.90  4.30
define/bound hd2[11] mgr[42]   1.90  6.14
define/bound he1[11] hbr[13]   1.90  4.05
define/bound he1[11] hbs[13]   1.90  5.16
define/bound he1[11] hgr[13]   1.90  4.57
define/bound he1[11] hds[13]   1.90  4.05
define/bound he1[11] her[34]   1.90  4.57
define/bound he1[11] hn[35]   1.90  4.30
define/bound he1[11] ha[35]   1.90  3.17
define/bound he1[11] hbs[35]   1.90  4.86
define/bound ha[12] ha[39]   1.90  4.05
define/bound ha[12] mgr[42]   1.90  5.03
define/bound ha[12] mgs[42]   1.90  6.14
define/bound hbr[12] hn[13]   1.90  3.81
define/bound hbr[12] mgr[42]   1.90  6.14
define/bound hbs[12] hn[13]   1.90  4.05
define/bound hbs[12] ha[39]   1.90  4.86
define/bound hbs[12] mgr[42]   1.90  5.28
define/bound hbs[12] mgs[42]   1.90  5.84
define/bound hgr[12] mgr[42]   1.90  6.14
define/bound hgr[12] mgs[42]   1.90  6.14
define/bound hdr[12] mgr[42]   1.90  5.55
define/bound hdr[12] mgs[42]   1.90  5.55
define/bound hds[12] mgr[42]   1.90  4.79
define/bound hds[12] mgs[42]   1.90  5.03
define/bound hn[13] hgr[13]   1.90  4.57
define/bound hn[13] hd2e[39]   1.90  4.30
define/bound hn[13] hd2z[39]   1.90  3.81
define/bound ha[13] hgs[13]   1.90  3.81
define/bound ha[13] hds[13]   1.90  5.16
define/bound ha[13] hdr[14]   1.90  3.17
define/bound ha[13] hds[14]   1.90  2.99
define/bound ha[13] hn[15]   1.90  4.57
define/bound hbr[13] hdr[14]   1.90  4.30
define/bound hbr[13] hds[14]   1.90  5.16
define/bound hbr[13] hn[15]   1.90  4.05
define/bound hbs[13] hdr[14]   1.90  3.81
define/bound hbs[13] hds[14]   1.90  4.30
define/bound hbs[13] hn[15]   1.90  3.81
define/bound ha[14] hn[15]   1.90  3.37
define/bound hgs[14] hn[15]   1.90  3.37
define/bound hdr[14] hn[15]   1.90  3.81
define/bound hds[14] hn[15]   1.90  4.30
define/bound mb[15] hn[16]   1.90  3.98
define/bound hn[15] hn[16]   1.90  4.30
define/bound ha[15] hn[16]   1.90  2.81
define/bound hn[16] hbr[16]   1.90  3.81
define/bound hn[16] hbs[16]   1.90  3.37
define/bound ha[16] mg2[17]   1.90  5.55
define/bound ha[16] hn[17]   1.90  2.99
define/bound ha[16] hbr[35]   1.90  4.86
define/bound ha[16] hbs[35]   1.90  4.86
define/bound hbr[16] hn[17]   1.90  3.58
define/bound hbr[16] hd2z[33]   1.90  4.30
define/bound hbr[16] hn[36]   1.90  4.57
define/bound hbr[16] hd2e[36]   1.90  4.57
define/bound hbr[16] hd2z[36]   1.90  4.05
define/bound hbs[16] hn[17]   1.90  4.05
define/bound hbs[16] hd2z[33]   1.90  4.30
define/bound hbs[16] hd2e[36]   1.90  4.05
define/bound hbs[16] hd2z[36]   1.90  3.81
define/bound mg2[17] hn[17]   1.90  3.98
define/bound mg2[17] ha[17]   1.90  3.98
define/bound mg2[17] hn[18]   1.90  4.79
define/bound mg2[17] hn[19]   1.90  5.03
define/bound ha[17] mds[18]   1.90  5.55
define/bound ha[17] hn[18]   1.90  2.99
define/bound hb[17] mdr[18]   1.90  6.81
define/bound hb[17] hn[18]   1.90  3.37
define/bound hb[17] hn[19]   1.90  4.05
define/bound mdr[18] hn[18]   1.90  4.79
define/bound mdr[18] ha[18]   1.90  4.16
define/bound mdr[18] hn[19]   1.90  5.28
define/bound mds[18] hn[18]   1.90  4.79
define/bound mds[18] hn[19]   1.90  5.55
define/bound hn[18] hbr[18]   1.90  3.37
define/bound hn[18] hbs[18]   1.90  3.81
define/bound hn[18] hg[18]   1.90  3.37
define/bound hn[18] hn[19]   1.90  3.58
define/bound ha[18] hn[19]   1.90  3.58
define/bound ha[18] hd2e[33]   1.90  4.86
define/bound ha[18] hd2z[33]   1.90  4.05
define/bound hbs[18] hn[19]   1.90  4.30
define/bound hn[19] hgr[19]   1.90  4.05
define/bound hn[19] hn[20]   1.90  4.30
define/bound ha[19] hn[20]   1.90  2.64
define/bound hbr[19] hgs[21]   1.90  4.05
define/bound hgr[19] hn[20]   1.90  4.86
define/bound hgr[19] hgs[21]   1.90  4.86
define/bound hgs[19] hn[20]   1.90  4.57
define/bound hgs[19] hgs[21]   1.90  4.57
;define/bound hgs[19] hbs[33]   1.90  5.16
define/bound hn[20] hbr[20]   1.90  3.37
define/bound hn[20] hbs[20]   1.90  3.37
define/bound ha[20] hd2[20]   1.90  3.17
define/bound ha[20] hn[21]   1.90  2.99
define/bound ha[20] hbr[21]   1.90  4.86
define/bound ha[20] hbs[33]   1.90  4.86
define/bound ha[20] hd2e[33]   1.90  4.86
define/bound hbr[20] hd2[20]   1.90  3.37
define/bound hbr[20] hn[21]   1.90  4.05
define/bound hbs[20] hd1[20]   1.90  3.17
define/bound hbs[20] hn[21]   1.90  4.30
define/bound hd1[20] hgs[22]   1.90  4.30
define/bound hd1[20] hds[22]   1.90  4.86
define/bound hd2[20] hn[21]   1.90  3.58
define/bound hd2[20] har[32]   1.90  4.30
define/bound hd2[20] has[32]   1.90  4.30
define/bound he1[20] hgs[22]   1.90  4.05
define/bound he1[20] hds[22]   1.90  5.16
define/bound he2[20] hbs[22]   1.90  3.58
define/bound he2[20] mg2[30]   1.90  5.28
define/bound he2[20] hn[32]   1.90  4.57
define/bound he2[20] har[32]   1.90  4.30
define/bound he2[20] has[32]   1.90  4.86
define/bound hn[21] hgs[21]   1.90  4.30
define/bound hn[21] hbr[33]   1.90  4.30
define/bound hn[21] hbs[33]   1.90  4.05
define/bound ha[21] hgs[21]   1.90  3.37
define/bound ha[21] hds[22]   1.90  2.99
define/bound hbr[21] ha[33]   1.90  4.05
define/bound hbr[21] hbs[33]   1.90  4.86
define/bound hgs[21] he[21]   1.90  3.58
define/bound ha[22] mdr[23]   1.90  5.84
define/bound ha[22] hn[23]   1.90  2.99
define/bound ha[22] har[32]   1.90  4.57
define/bound hbr[22] hn[23]   1.90  3.81
define/bound hbr[22] har[54]   1.90  4.05
define/bound hbr[22] has[54]   1.90  4.57
define/bound hbr[22] hn[55]   1.90  3.81
define/bound hbr[22] ha[55]   1.90  4.30
define/bound hbs[22] har[32]   1.90  4.86
define/bound mdr[23] hn[23]   1.90  4.79
define/bound mdr[23] hbs[31]   1.90  6.14
define/bound mdr[23] hn[33]   1.90  5.28
define/bound mdr[23] ha[33]   1.90  5.03
define/bound mdr[23] hn[34]   1.90  4.57
define/bound mdr[23] ha[34]   1.90  4.36
define/bound mdr[23] hbr[34]   1.90  5.55
define/bound mdr[23] hbs[34]   1.90  5.84
define/bound mdr[23] hn[37]   1.90  4.79
define/bound mdr[23] ha[37]   1.90  6.81
define/bound mdr[23] hbr[37]   1.90  4.79
define/bound mdr[23] hbs[37]   1.90  5.03
define/bound mdr[23] hd2[37]   1.90  5.03
define/bound mdr[23] mdr[50]   1.90  6.07
define/bound mdr[23] hd1[53]   1.90  5.55
define/bound mdr[23] he1[53]   1.90  6.14
define/bound mds[23] hn[23]   1.90  5.28
define/bound mds[23] ha[23]   1.90  4.79
define/bound mds[23] hn[24]   1.90  5.28
define/bound mds[23] ha[33]   1.90  5.55
define/bound mds[23] hn[34]   1.90  5.55
define/bound mds[23] ha[34]   1.90  5.28
define/bound mds[23] hbr[34]   1.90  5.84
define/bound mds[23] hbr[37]   1.90  5.55
define/bound mds[23] hbs[37]   1.90  5.55
define/bound mds[23] hd2[37]   1.90  5.55
define/bound mds[23] mdr[50]   1.90  5.83
define/bound mds[23] mds[50]   1.90  6.88
define/bound mds[23] ha[53]   1.90  5.03
define/bound mds[23] hbr[53]   1.90  6.81
define/bound mds[23] hbs[53]   1.90  6.46
define/bound mds[23] hd1[53]   1.90  4.79
define/bound mds[23] he1[53]   1.90  5.03
define/bound mds[23] hn[54]   1.90  4.79
define/bound hn[23] hg[23]   1.90  4.05
define/bound hn[23] mg2[30]   1.90  4.79
define/bound hn[23] hn[31]   1.90  4.05
define/bound hn[23] hbs[37]   1.90  4.86
define/bound ha[23] hn[24]   1.90  3.17
define/bound ha[23] mdr[50]   1.90  5.55
define/bound hbr[23] hn[31]   1.90  4.57
define/bound hbr[23] hbr[31]   1.90  3.58
define/bound hbr[23] hbs[31]   1.90  4.57
define/bound hbr[23] hd1[37]   1.90  4.05
define/bound hbr[23] mdr[50]   1.90  4.36
define/bound hbr[23] hn[54]   1.90  4.57
define/bound hg[23] ha[33]   1.90  5.16
define/bound hg[23] mdr[50]   1.90  6.14
define/bound hg[23] hd1[53]   1.90  4.86
define/bound hn[24] hbs[24]   1.90  3.81
define/bound hn[24] hbr[24]   1.90  3.81
define/bound hn[24] mdr[50]   1.90  4.57
define/bound hn[24] hn[52]   1.90  4.05
define/bound hn[24] ha[53]   1.90  4.30
define/bound ha[24] mg2[30]   1.90  5.84
define/bound ha[24] ha[30]   1.90  3.17
define/bound hbs[24] hbr[51]   1.90  5.16
define/bound hbs[24] hd2[52]   1.90  4.57
define/bound hbs[24] he1[52]   1.90  4.30
define/bound hbs[24] hn[56]   1.90  4.30
define/bound hbr[24] hn[25]   1.90  4.57
define/bound hbr[24] ha[30]   1.90  4.86
define/bound hbr[24] hn[52]   1.90  4.30
define/bound hbr[24] he1[52]   1.90  4.05
define/bound hbr[24] ha[55]   1.90  5.16
define/bound hbr[24] hn[56]   1.90  4.86
define/bound hbr[24] ha[56]   1.90  3.81
define/bound hn[25] ha[28]   1.90  4.57
define/bound hn[25] hn[29]   1.90  4.30
define/bound hn[25] hd1[31]   1.90  4.05
define/bound har[25] he1[37]   1.90  3.81
define/bound har[25] mdr[48]   1.90  4.57
define/bound har[25] mds[48]   1.90  6.14
define/bound har[25] ha[50]   1.90  4.30
define/bound has[25] he1[37]   1.90  3.58
define/bound has[25] mdr[48]   1.90  5.03
define/bound has[25] mds[48]   1.90  5.84
define/bound has[25] mdr[50]   1.90  6.46
define/bound has[25] ha[50]   1.90  3.81
define/bound hn[26] hbr[26]   1.90  3.81
define/bound hn[26] hbs[26]   1.90  4.05
define/bound hn[26] hn[27]   1.90  3.81
define/bound hn[26] hn[28]   1.90  4.86
define/bound hn[26] mdr[48]   1.90  4.57
define/bound hn[26] mds[48]   1.90  5.55
define/bound hn[26] hg[48]   1.90  4.05
define/bound hn[26] hn[49]   1.90  4.30
define/bound hn[26] hn[51]   1.90  4.86
define/bound ha[26] hbs[26]   1.90  2.99
define/bound ha[26] hn[28]   1.90  4.05
define/bound ha[26] hbs[51]   1.90  3.58
define/bound hbr[26] mdr[48]   1.90  5.84
define/bound hbr[26] mg2[49]   1.90  5.55
define/bound hbs[26] mg2[49]   1.90  5.28
define/bound hn[27] hbr[27]   1.90  4.05
define/bound hn[27] hn[28]   1.90  3.37
define/bound hn[27] hn[29]   1.90  4.57
define/bound hn[27] mdr[48]   1.90  4.36
define/bound ha[27] hbr[27]   1.90  3.17
define/bound ha[27] hbs[27]   1.90  3.17
define/bound hbr[27] mdr[48]   1.90  5.55
define/bound hbs[27] hn[28]   1.90  4.57
define/bound hbs[27] mdr[48]   1.90  6.46
define/bound hn[28] ha[28]   1.90  2.81
define/bound hn[28] hbr[28]   1.90  4.05
define/bound hn[28] hbs[28]   1.90  3.81
define/bound hn[28] hn[29]   1.90  3.17
define/bound hn[28] mdr[48]   1.90  5.28
define/bound hn[29] hbr[29]   1.90  3.81
define/bound hn[29] hbs[29]   1.90  3.58
define/bound hn[29] hgr[29]   1.90  4.57
define/bound hn[29] hgs[29]   1.90  4.05
define/bound ha[29] hgr[29]   1.90  3.81
define/bound ha[29] hn[30]   1.90  2.99
define/bound hbr[29] hn[30]   1.90  4.05
define/bound hbs[29] hn[30]   1.90  4.30
define/bound hgr[29] hn[30]   1.90  4.30
define/bound mg2[30] hn[30]   1.90  5.03
define/bound mg2[30] hn[31]   1.90  4.79
define/bound mg2[30] hn[55]   1.90  5.28
define/bound mg2[30] ha[55]   1.90  3.98
define/bound mg2[30] hn[56]   1.90  4.57
define/bound hn[30] hb[30]   1.90  3.37
define/bound hn[31] hbr[31]   1.90  3.81
define/bound hn[31] hbs[31]   1.90  4.05
define/bound hn[31] hd1[31]   1.90  4.86
define/bound ha[31] hd2[31]   1.90  4.05
define/bound ha[31] hn[32]   1.90  3.17
define/bound ha[31] hn[33]   1.90  4.30
define/bound hbr[31] hd1[31]   1.90  3.81
define/bound hbs[31] hn[37]   1.90  4.05
define/bound hbs[31] ha[37]   1.90  4.30
define/bound hbs[31] hd1[37]   1.90  4.05
define/bound hd1[31] hd1[37]   1.90  3.58
define/bound hd1[31] he1[37]   1.90  4.05
define/bound hd2[31] hbr[36]   1.90  4.30
define/bound hd2[31] ha[37]   1.90  4.05
define/bound hd2[31] mb[40]   1.90  5.84
define/bound he1[31] mdr[48]   1.90  6.46
define/bound he1[31] mds[48]   1.90  6.46
define/bound he2[31] mb[40]   1.90  6.14
define/bound hn[32] hn[33]   1.90  3.58
define/bound hn[32] hbr[36]   1.90  4.57
define/bound hn[32] hd2e[36]   1.90  4.57
define/bound hn[33] hbr[33]   1.90  3.58
define/bound hn[33] hd2z[33]   1.90  4.86
define/bound hn[33] hd2e[36]   1.90  4.30
define/bound hbr[33] hd2z[33]   1.90  4.05
define/bound hbr[33] hn[34]   1.90  3.37
define/bound hbs[33] hd2e[33]   1.90  3.58
define/bound hbs[33] hd2z[33]   1.90  3.81
define/bound hbs[33] hn[34]   1.90  3.81
define/bound hd2e[33] hn[34]   1.90  4.30
define/bound hd2z[33] hn[34]   1.90  4.86
define/bound hd2z[33] hgr[34]   1.90  4.30
define/bound hd2z[33] hn[36]   1.90  4.57
define/bound hd2z[33] hd2e[36]   1.90  4.05
define/bound hd2z[33] hd2z[36]   1.90  4.30
define/bound hn[34] hbr[34]   1.90  3.58
define/bound hn[34] hbs[34]   1.90  3.58
define/bound hn[34] hgs[34]   1.90  4.86
define/bound hn[34] hds[34]   1.90  3.81
define/bound hn[34] hn[35]   1.90  3.58
define/bound ha[34] hgs[34]   1.90  4.05
define/bound ha[34] hn[37]   1.90  3.58
define/bound ha[34] hbr[37]   1.90  3.81
define/bound ha[34] hbs[37]   1.90  3.37
define/bound ha[34] hd2[37]   1.90  4.05
define/bound ha[34] hn[38]   1.90  4.05
define/bound hn[35] hbr[35]   1.90  3.37
define/bound hn[35] hbs[35]   1.90  3.17
define/bound hn[35] hn[36]   1.90  3.17
define/bound hbs[35] hn[36]   1.90  3.58
define/bound hn[36] hbr[36]   1.90  3.37
define/bound hn[36] hd2e[36]   1.90  3.58
define/bound hn[36] hd2z[36]   1.90  4.05
define/bound ha[36] hd2e[36]   1.90  3.58
define/bound ha[36] hd2z[36]   1.90  4.05
define/bound ha[36] hn[39]   1.90  4.30
define/bound ha[36] hbs[39]   1.90  4.30
define/bound ha[36] hbr[39]   1.90  5.16
define/bound ha[36] hd2e[39]   1.90  4.30
define/bound hn[37] hn[38]   1.90  3.37
define/bound ha[37] hd1[37]   1.90  3.37
define/bound ha[37] mb[40]   1.90  4.79
define/bound ha[37] hn[40]   1.90  4.57
define/bound ha[37] mgs[41]   1.90  6.46
define/bound ha[37] mds[48]   1.90  5.84
define/bound hbr[37] hd1[37]   1.90  3.17
define/bound hbr[37] hn[38]   1.90  3.58
define/bound hbr[37] mb[40]   1.90  6.46
define/bound hbs[37] hd2[37]   1.90  3.17
define/bound hbs[37] hn[38]   1.90  3.37
define/bound hd1[37] mb[40]   1.90  6.14
define/bound hd1[37] mdr[48]   1.90  5.55
define/bound hd1[37] mds[48]   1.90  5.03
define/bound hd2[37] hn[38]   1.90  3.37
define/bound hd2[37] ha[38]   1.90  4.30
define/bound he1[37] mdr[48]   1.90  4.79
define/bound he1[37] mds[48]   1.90  5.03
define/bound he1[37] hg[48]   1.90  3.81
define/bound he1[37] mdr[50]   1.90  5.28
define/bound he1[37] hn[50]   1.90  4.30
define/bound he1[37] ha[50]   1.90  3.81
define/bound he1[37] hbr[50]   1.90  4.05
define/bound he2[37] ha[38]   1.90  4.86
define/bound he2[37] mgs[41]   1.90  4.57
define/bound hz[37] mgs[41]   1.90  4.57
define/bound hz[37] hg[48]   1.90  4.30
define/bound hz[37] ha[49]   1.90  3.58
define/bound hz[37] mdr[50]   1.90  5.03
define/bound hz[37] mds[50]   1.90  6.14
define/bound hz[37] hn[50]   1.90  3.81
define/bound hz[37] ha[50]   1.90  3.58
define/bound hz[37] hbr[50]   1.90  4.05
define/bound hz[37] hbs[50]   1.90  4.57
define/bound hn[38] hbr[38]   1.90  3.58
define/bound hn[38] hbs[38]   1.90  3.37
define/bound hn[38] hn[39]   1.90  3.37
define/bound hn[38] mgs[41]   1.90  5.28
define/bound ha[38] mb[40]   1.90  6.14
define/bound ha[38] mgr[41]   1.90  5.55
define/bound ha[38] mgs[41]   1.90  4.57
define/bound ha[38] hn[41]   1.90  3.37
define/bound ha[38] hb[41]   1.90  3.17
define/bound ha[38] hn[42]   1.90  4.05
define/bound hbr[38] hn[39]   1.90  4.30
define/bound hbs[38] hn[39]   1.90  4.57
define/bound hn[39] hbs[39]   1.90  3.37
define/bound hn[39] hbr[39]   1.90  3.37
define/bound hn[39] hd2e[39]   1.90  4.05
define/bound hn[39] hd2z[39]   1.90  4.30
define/bound hn[39] hn[40]   1.90  3.17
define/bound ha[39] mgr[42]   1.90  4.79
define/bound ha[39] mgs[42]   1.90  5.55
define/bound ha[39] hn[42]   1.90  4.86
define/bound ha[39] hb[42]   1.90  4.30
define/bound hbs[39] hd2e[39]   1.90  3.58
define/bound hbs[39] hd2z[39]   1.90  4.05
define/bound hbs[39] hn[40]   1.90  3.81
define/bound hbr[39] hd2z[39]   1.90  3.81
define/bound hbr[39] hn[40]   1.90  4.30
define/bound mb[40] mgs[41]   1.90  7.51
define/bound mb[40] hn[41]   1.90  4.36
define/bound mb[40] ha[41]   1.90  6.14
define/bound mb[40] hn[43]   1.90  5.84
define/bound mb[40] mds[48]   1.90  5.19
define/bound hn[40] mgs[41]   1.90  5.03
define/bound hn[40] hn[41]   1.90  3.17
define/bound hn[40] hn[42]   1.90  4.86
define/bound ha[40] hn[43]   1.90  3.58
define/bound ha[40] hbr[43]   1.90  3.81
define/bound ha[40] hbs[43]   1.90  4.05
define/bound ha[40] hn[44]   1.90  4.57
define/bound mgr[41] hn[41]   1.90  4.57
define/bound mgr[41] mgr[42]   1.90  7.18
define/bound mgr[41] mgs[42]   1.90  6.88
define/bound mgr[41] hn[42]   1.90  4.57
define/bound mgr[41] ha[42]   1.90  5.03
define/bound mgr[41] hn[46]   1.90  4.79
define/bound mgr[41] har[46]   1.90  5.28
define/bound mgr[41] has[46]   1.90  5.84
define/bound mgr[41] hn[47]   1.90  5.84
define/bound mgr[41] hn[48]   1.90  5.28
define/bound mgr[41] ha[49]   1.90  6.14
define/bound mgs[41] hn[41]   1.90  3.98
define/bound mgs[41] hn[42]   1.90  4.79
define/bound mgs[41] mdr[48]   1.90  6.59
define/bound mgs[41] mds[48]   1.90  5.60
define/bound mgs[41] hn[48]   1.90  5.28
define/bound mgs[41] hbr[48]   1.90  5.84
define/bound mgs[41] hbs[48]   1.90  5.28
define/bound mgs[41] hg[48]   1.90  5.03
define/bound mgs[41] ha[49]   1.90  5.55
define/bound hn[41] hb[41]   1.90  3.17
define/bound hn[41] mgr[42]   1.90  5.55
define/bound hn[41] hn[42]   1.90  3.37
define/bound hn[41] hn[43]   1.90  4.57
define/bound hn[41] mds[48]   1.90  4.57
define/bound ha[41] hn[44]   1.90  4.30
define/bound ha[41] hbr[44]   1.90  4.57
define/bound ha[41] mds[48]   1.90  4.57
define/bound ha[41] hn[48]   1.90  4.30
define/bound ha[41] hbr[48]   1.90  4.05
define/bound ha[41] hbs[48]   1.90  3.17
define/bound ha[41] hg[48]   1.90  4.86
define/bound mgr[42] hn[42]   1.90  3.98
define/bound mgr[42] hn[43]   1.90  4.57
define/bound mgs[42] hn[42]   1.90  4.16
define/bound mgs[42] hn[43]   1.90  4.79
define/bound hn[42] hn[43]   1.90  3.37
define/bound ha[42] hn[44]   1.90  4.30
define/bound ha[42] hn[45]   1.90  4.05
define/bound ha[42] hn[46]   1.90  4.05
define/bound hn[43] hbr[43]   1.90  3.37
define/bound hn[43] hbs[43]   1.90  3.58
define/bound hn[43] hgs[43]   1.90  3.37
define/bound hn[43] hn[44]   1.90  3.17
define/bound hn[43] ha[44]   1.90  4.86
define/bound hn[43] hn[45]   1.90  4.57
define/bound ha[43] hgs[43]   1.90  4.05
define/bound ha[43] hn[45]   1.90  4.05
define/bound hbr[43] hn[44]   1.90  4.05
define/bound hbs[43] hn[44]   1.90  4.05
define/bound hgs[43] hn[44]   1.90  4.30
define/bound hn[44] hbr[44]   1.90  3.81
define/bound hn[44] hbs[44]   1.90  4.05
define/bound hn[44] hn[45]   1.90  3.58
define/bound hn[44] mds[48]   1.90  5.84
define/bound ha[44] hbr[44]   1.90  3.17
define/bound ha[44] hbs[44]   1.90  3.17
define/bound hbr[44] mds[48]   1.90  5.84
define/bound hbr[44] hn[48]   1.90  4.30
define/bound hbr[44] hbr[48]   1.90  4.30
define/bound hbr[44] hbs[48]   1.90  4.30
define/bound hbs[44] mds[48]   1.90  6.14
define/bound hbs[44] hbr[48]   1.90  3.81
define/bound hbs[44] hbs[48]   1.90  4.30
define/bound hn[45] ha[45]   1.90  2.81
define/bound hn[45] hbr[45]   1.90  4.05
define/bound hn[45] hbs[45]   1.90  3.81
define/bound hn[45] hn[46]   1.90  3.37
define/bound hn[45] hn[47]   1.90  4.57
define/bound ha[45] hbr[45]   1.90  3.17
define/bound ha[45] hn[46]   1.90  3.17
define/bound ha[45] hn[47]   1.90  4.57
define/bound hbr[45] hd2z[45]   1.90  4.05
define/bound hbr[45] mg2[47]   1.90  6.14
define/bound hbs[45] hd2e[45]   1.90  3.58
define/bound hbs[45] mg2[47]   1.90  6.14
define/bound hn[46] mg2[47]   1.90  5.55
define/bound hn[46] hn[47]   1.90  3.58
define/bound hn[46] hn[48]   1.90  4.57
define/bound mg2[47] hn[47]   1.90  4.16
define/bound mg2[47] hn[48]   1.90  4.79
define/bound hn[47] hn[48]   1.90  3.37
define/bound hn[47] hbs[48]   1.90  4.57
define/bound ha[47] mg2[49]   1.90  5.28
define/bound mdr[48] hn[48]   1.90  5.03
define/bound mdr[48] ha[48]   1.90  4.16
define/bound mdr[48] hn[49]   1.90  4.36
define/bound mds[48] hn[48]   1.90  4.79
define/bound mds[48] hn[49]   1.90  5.28
define/bound hn[48] hbr[48]   1.90  3.81
define/bound hn[48] hbs[48]   1.90  3.58
define/bound hn[48] hg[48]   1.90  4.05
define/bound ha[48] hg[48]   1.90  3.81
define/bound ha[48] hn[49]   1.90  3.37
define/bound hbr[48] hn[49]   1.90  4.30
define/bound hg[48] hn[49]   1.90  3.58
define/bound mg2[49] ha[49]   1.90  3.98
define/bound mg2[49] hn[50]   1.90  4.57
define/bound hn[49] hb[49]   1.90  3.81
define/bound ha[49] hb[49]   1.90  2.81
define/bound ha[49] hn[50]   1.90  3.58
define/bound hb[49] hn[50]   1.90  3.17
define/bound mdr[50] hn[50]   1.90  5.03
define/bound mdr[50] ha[50]   1.90  4.36
define/bound mdr[50] hn[51]   1.90  4.36
define/bound mdr[50] hn[52]   1.90  4.36
define/bound mdr[50] ha[52]   1.90  5.84
define/bound mdr[50] ha[53]   1.90  5.55
define/bound mdr[50] hd2[53]   1.90  5.84
define/bound mdr[50] he2[53]   1.90  6.14
define/bound mds[50] hn[50]   1.90  4.79
define/bound mds[50] hn[51]   1.90  5.55
define/bound mds[50] ha[52]   1.90  5.55
define/bound mds[50] hn[53]   1.90  5.28
define/bound mds[50] hd2[53]   1.90  5.28
define/bound mds[50] he2[53]   1.90  5.03
define/bound hn[50] hbr[50]   1.90  3.58
define/bound hn[50] hn[51]   1.90  4.57
define/bound ha[50] hg[50]   1.90  4.05
define/bound ha[50] hn[51]   1.90  3.37
define/bound hg[50] hn[51]   1.90  4.30
define/bound hg[50] hn[52]   1.90  3.58
define/bound hg[50] ha[52]   1.90  4.30
define/bound hg[50] hn[53]   1.90  4.86
define/bound hn[51] hbr[51]   1.90  3.81
define/bound hn[51] hbs[51]   1.90  3.81
define/bound hn[51] hn[52]   1.90  3.37
define/bound hbr[51] hn[52]   1.90  3.58
define/bound hbr[51] hd2[52]   1.90  3.58
define/bound hbs[51] hn[52]   1.90  3.81
define/bound hbs[51] hd2[52]   1.90  4.05
define/bound ha[52] hbr[52]   1.90  3.17
define/bound ha[52] hbs[52]   1.90  3.17
define/bound ha[52] hd2[52]   1.90  4.30
define/bound ha[52] hn[53]   1.90  3.17
define/bound hbr[52] hd2[52]   1.90  3.58
define/bound hbr[52] hn[53]   1.90  3.81
define/bound hbs[52] hd2[52]   1.90  4.05
define/bound hbs[52] hn[53]   1.90  3.58
define/bound he1[52] hn[55]   1.90  4.57
define/bound he1[52] ha[55]   1.90  4.86
define/bound he1[52] hn[56]   1.90  4.57
define/bound he1[52] ha[56]   1.90  3.17
define/bound hn[53] hbr[53]   1.90  3.37
define/bound hn[53] hbs[53]   1.90  3.58
define/bound hn[53] hd2[53]   1.90  3.37
define/bound hn[53] he2[53]   1.90  4.30
define/bound hn[53] hn[54]   1.90  4.57
define/bound ha[53] hd1[53]   1.90  4.05
define/bound ha[53] hn[54]   1.90  3.37
define/bound hbr[53] hd2[53]   1.90  3.81
define/bound hbr[53] hn[54]   1.90  4.30
define/bound hbs[53] hn[54]   1.90  3.81
define/bound hd1[53] hn[54]   1.90  4.05
define/bound hn[54] hn[55]   1.90  4.57
define/bound har[54] hn[55]   1.90  3.58
define/bound has[54] hn[55]   1.90  3.58
define/bound hn[55] hbr[55]   1.90  3.37
define/bound hn[55] hbs[55]   1.90  3.81
define/bound hn[55] hgr[55]   1.90  3.81
define/bound hn[55] hgs[55]   1.90  3.58
define/bound ha[55] hn[56]   1.90  2.99
define/bound hbr[55] hn[56]   1.90  3.81
define/bound hbs[55] hn[56]   1.90  3.81
define/bound hn[56] hbs[56]   1.90  3.81
define/nochiral cb[1]     ;stereoassign after calculations !                  
define/nochiral cg[1]     ;stereoassign after calculations !                  
define/nochiral cb[4]     ;stereoassign after calculations !                  
;define/nochiral cb[5]     ;stereoassign after calculations !                  
define/nochiral cb[6]     ;stereoassign after calculations !                  
define/nochiral cb[10]     ;stereoassign after calculations !                  
define/nochiral cg[10]     ;stereoassign after calculations !                  
define/nochiral cg[12]     ;stereoassign after calculations !                  
define/nochiral cd[12]     ;stereoassign after calculations !                  
define/nochiral cg[13]     ;stereoassign after calculations !                  
define/nochiral cd[13]     ;stereoassign after calculations !                  
define/nochiral ce[13]     ;stereoassign after calculations !                  
;define/nochiral cb[14]     ;stereoassign after calculations !                  
;define/nochiral cg[14]     ;stereoassign after calculations !                  
define/nochiral cd[14]     ;stereoassign after calculations !                  
define/nochiral cb[18]     ;stereoassign after calculations !                  
define/nochiral cg[18]     ;stereoassign after calculations !                  
;define/nochiral cb[19]     ;stereoassign after calculations !                  
define/nochiral cg[19]     ;stereoassign after calculations !                  
;define/nochiral cb[21]     ;stereoassign after calculations !                  
define/nochiral cg[21]     ;stereoassign after calculations !                  
define/nochiral cd[21]     ;stereoassign after calculations !                  
;define/nochiral cb[22]     ;stereoassign after calculations !                  
;define/nochiral cg[22]     ;stereoassign after calculations !                  
;define/nochiral cd[22]     ;stereoassign after calculations !                  
;define/nochiral cb[23]     ;stereoassign after calculations !                  
;define/nochiral cg[23]     ;stereoassign after calculations !                  
define/nochiral ca[25]     ;stereoassign after calculations !                  
define/nochiral cb[26]     ;stereoassign after calculations !                  
define/nochiral cb[28]     ;stereoassign after calculations !                  
define/nochiral cb[29]     ;stereoassign after calculations !                  
define/nochiral cg[29]     ;stereoassign after calculations !                  
define/nochiral cd[29]     ;stereoassign after calculations !                  
define/nochiral ce[29]     ;stereoassign after calculations !                  
define/nochiral cb[31]     ;stereoassign after calculations !                  
define/nochiral ca[32]     ;stereoassign after calculations !                  
define/nochiral cg[34]     ;stereoassign after calculations !                  
define/nochiral cd[34]     ;stereoassign after calculations !                  
define/nochiral ce[34]     ;stereoassign after calculations !                  
define/nochiral cb[36]     ;stereoassign after calculations !                  
define/nochiral cb[37]     ;stereoassign after calculations !                  
;define/nochiral cb[41]     ;stereoassign after calculations !                  
;define/nochiral cb[42]     ;stereoassign after calculations !                  
define/nochiral cb[43]     ;stereoassign after calculations !                  
define/nochiral cg[43]     ;stereoassign after calculations !                  
define/nochiral cb[45]     ;stereoassign after calculations !                  
define/nochiral ca[46]     ;stereoassign after calculations !                  
;define/nochiral cg[48]     ;stereoassign after calculations !                  
;define/nochiral cg[50]     ;stereoassign after calculations !                  
define/nochiral cb[51]     ;stereoassign after calculations !                  
define/nochiral ca[54]     ;stereoassign after calculations !                  
define/nochiral cb[55]     ;stereoassign after calculations !                  
define/nochiral cg[55]     ;stereoassign after calculations !                  
define/nochiral cd[55]     ;stereoassign after calculations !                  
define/nochiral ce[55]     ;stereoassign after calculations !                  
define/hbond oe1[19] hn[19] 1.95 2.20
define/hbond o[31] hn[23] 1.95 2.20
define/hbond o[23] hn[31] 1.95 2.20
define/hbond o[52] hn[24] 1.95 2.20
define/hbond o[29] hn[25] 1.95 2.20
define/hbond o[49] hn[26] 1.95 2.20
define/hbond od1[27] hn[27] 1.95 2.20
define/hbond od2[27] hn[29] 1.95 2.20
define/hbond o[33] hn[37] 1.95 2.20
define/hbond o[34] hn[38] 1.95 2.20
define/hbond o[35] hn[39] 1.95 2.20
define/hbond o[37] hn[41] 1.95 2.20
define/hbond o[38] hn[42] 1.95 2.20
define/hbond o[39] hn[43] 1.95 2.20
define/hbond og[44] hn[48] 1.95 2.20
define/hbond oe1[10] hn[9] 1.95 2.20
define/hbond oe2[10] hn[10] 1.95 2.20

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 402 H/Q atoms
  Start of MODEL    1
    1   1H    LEU   1          2H        LEU   1  12.554  12.166   8.168
    2   2H    LEU   1          1H        LEU   1  12.919  12.375   6.590
    3   3H    LEU   1          3H        LEU   1  13.718  13.227   7.732
    4    HA   LEU   1           HA       LEU   1  11.753  14.380   8.366
    5   1HB   LEU   1          2HB       LEU   1  13.291  14.555   5.976
    6   2HB   LEU   1          1HB       LEU   1  11.610  15.007   5.572
    7    HG   LEU   1           HG       LEU   1  13.384  16.299   7.660
    8   1HD1  LEU   1          3HD1      LEU   1  12.329  17.190   4.960
    9   2HD1  LEU   1          2HD1      LEU   1  13.070  18.283   6.155
   10   3HD1  LEU   1          1HD1      LEU   1  14.029  16.961   5.442
   11   1HD2  LEU   1          2HD2      LEU   1  10.995  16.154   8.293
   12   2HD2  LEU   1          3HD2      LEU   1  11.518  17.828   7.979
   13   3HD2  LEU   1          1HD2      LEU   1  10.559  16.951   6.760
   14    H    ALA   2           H        ALA   2   9.804  15.133   6.492
   15    HA   ALA   2           HA       ALA   2   7.865  13.148   7.198
   16   1HB   ALA   2          1HB       ALA   2   7.912  15.877   6.104
   17   2HB   ALA   2          3HB       ALA   2   6.545  14.879   5.548
   18   3HB   ALA   2          2HB       ALA   2   6.821  15.120   7.292
   19    H    ALA   3           H        ALA   3   8.115  11.253   6.149
   20    HA   ALA   3           HA       ALA   3   7.482  11.334   3.235
   21   1HB   ALA   3          3HB       ALA   3   9.740  10.312   3.902
   22   2HB   ALA   3          2HB       ALA   3   8.782   8.985   4.606
   23   3HB   ALA   3          1HB       ALA   3   8.655   9.350   2.867
   24    H    VAL   4           H        VAL   4   6.166   9.473   2.546
   25    HA   VAL   4           HA       VAL   4   4.922   7.940   4.700
   26    HB   VAL   4           HB       VAL   4   2.680   8.117   3.891
   27   1HG1  VAL   4          1HG1      VAL   4   3.943  10.816   4.411
   28   2HG1  VAL   4          3HG1      VAL   4   2.187  10.533   4.364
   29   3HG1  VAL   4          2HG1      VAL   4   3.189   9.709   5.583
   30   1HG2  VAL   4          2HG2      VAL   4   3.418   8.580   1.474
   31   2HG2  VAL   4          3HG2      VAL   4   1.924   9.347   2.068
   32   3HG2  VAL   4          1HG2      VAL   4   3.426  10.294   1.954
   33    H    SER   5           H        SER   5   4.836   5.858   4.239
   34    HA   SER   5           HA       SER   5   4.615   4.672   1.728
   35   1HB   SER   5          2HB       SER   5   7.263   5.747   2.172
   36   2HB   SER   5          1HB       SER   5   7.311   3.969   1.999
   37    HG   SER   5           HG       SER   5   6.314   4.004   0.066
   38    H    VAL   6           H        VAL   6   4.098   2.645   2.047
   39    HA   VAL   6           HA       VAL   6   5.026   1.254   4.497
   40    HB   VAL   6           HB       VAL   6   3.542  -0.615   3.425
   41   1HG1  VAL   6          1HG1      VAL   6   3.149   1.288   5.428
   42   2HG1  VAL   6          2HG1      VAL   6   1.647   1.311   4.474
   43   3HG1  VAL   6          3HG1      VAL   6   2.237  -0.218   5.169
   44   1HG2  VAL   6          2HG2      VAL   6   2.369   1.864   2.147
   45   2HG2  VAL   6          1HG2      VAL   6   3.040   0.434   1.326
   46   3HG2  VAL   6          3HG2      VAL   6   1.545   0.292   2.281
   47    H    ASP   7           H        ASP   7   5.950  -0.879   4.237
   48    HA   ASP   7           HA       ASP   7   8.092  -0.625   2.226
   49   1HB   ASP   7          2HB       ASP   7   7.933  -1.718   4.911
   50   2HB   ASP   7          1HB       ASP   7   8.682  -2.847   3.747
   51    H    CYS   8           H        CYS   8   8.449  -2.011   0.620
   52    HA   CYS   8           HA       CYS   8   6.238  -3.924   0.059
   53   1HB   CYS   8          2HB       CYS   8   7.250  -1.738  -1.773
   54   2HB   CYS   8          1HB       CYS   8   5.961  -2.926  -2.116
   55    H    SER   9           H        SER   9   9.099  -4.314   0.780
   56    HA   SER   9           HA       SER   9  10.659  -4.737  -1.646
   57   1HB   SER   9          2HB       SER   9  11.152  -4.696   1.172
   58   2HB   SER   9          1HB       SER   9  11.730  -6.247   0.497
   59    HG   SER   9           HG       SER   9  12.771  -3.740   0.432
   60    H    GLU  10           H        GLU  10   8.243  -6.449   0.118
   61    HA   GLU  10           HA       GLU  10   9.323  -9.090  -0.716
   62   1HB   GLU  10          1HB       GLU  10   7.130  -8.746   1.248
   63   2HB   GLU  10          2HB       GLU  10   8.319  -9.916   1.117
   64   1HG   GLU  10          1HG       GLU  10   8.725  -8.830   3.113
   65   2HG   GLU  10          2HG       GLU  10  10.002  -8.471   1.916
   66    OH   TYR  11           OH       TYR  11   3.123  -6.846   2.362
   67    H    TYR  11           H        TYR  11   7.815  -7.373  -2.534
   68    HA   TYR  11           HA       TYR  11   5.301  -8.943  -2.832
   69   1HB   TYR  11          1HB       TYR  11   5.842  -5.963  -3.093
   70   2HB   TYR  11          2HB       TYR  11   4.345  -6.750  -3.666
   71    HD1  TYR  11           HD2      TYR  11   6.432  -6.268  -0.611
   72    HD2  TYR  11           HD1      TYR  11   2.564  -7.169  -2.131
   73    HE1  TYR  11           HE2      TYR  11   5.527  -6.200   1.670
   74    HE2  TYR  11           HE1      TYR  11   1.696  -7.329   0.164
   75    HH   TYR  11           HH       TYR  11   3.061  -7.919   2.535
   76    HA   PRO  12           HA       PRO  12   3.588  -8.332  -4.267
   77   1HB   PRO  12          1HB       PRO  12   2.475  -9.307  -6.597
   78   2HB   PRO  12          2HB       PRO  12   3.040  -7.621  -6.424
   79   1HG   PRO  12          2HG       PRO  12   4.096  -9.700  -8.133
   80   2HG   PRO  12          1HG       PRO  12   4.642  -8.007  -7.980
   81   1HD   PRO  12          2HD       PRO  12   5.772 -10.489  -6.726
   82   2HD   PRO  12          1HD       PRO  12   6.587  -8.953  -7.132
   83    H    LYS  13           H        LYS  13   1.870  -9.790  -3.822
   84    HA   LYS  13           HA       LYS  13   3.189 -12.224  -2.709
   85   1HB   LYS  13          1HB       LYS  13   0.677 -10.758  -1.832
   86   2HB   LYS  13          2HB       LYS  13   1.259 -12.308  -1.160
   87   1HG   LYS  13          1HG       LYS  13   3.485 -10.749  -0.876
   88   2HG   LYS  13          2HG       LYS  13   2.189  -9.536  -0.668
   89   1HD   LYS  13          1HD       LYS  13   2.188 -12.139   0.816
   90   2HD   LYS  13          2HD       LYS  13   3.104 -10.776   1.401
   91   1HE   LYS  13          1HE       LYS  13   0.917  -9.456   1.196
   92   2HE   LYS  13          2HE       LYS  13   0.127 -11.047   1.028
   93   1HZ   LYS  13          1HZ       LYS  13   1.097 -11.642   3.030
   94   2HZ   LYS  13          2HZ       LYS  13   1.799 -10.184   3.176
   95   3HZ   LYS  13          3HZ       LYS  13   0.151 -10.327   3.182
   96    HA   PRO  14           HA       PRO  14  -0.040 -14.506  -5.087
   97   1HB   PRO  14          1HB       PRO  14   0.274 -16.841  -3.594
   98   2HB   PRO  14          2HB       PRO  14   1.387 -16.295  -4.878
   99   1HG   PRO  14          2HG       PRO  14   1.933 -16.557  -2.073
  100   2HG   PRO  14          1HG       PRO  14   3.016 -15.925  -3.344
  101   1HD   PRO  14          2HD       PRO  14   1.342 -14.420  -1.354
  102   2HD   PRO  14          1HD       PRO  14   2.857 -13.933  -2.162
  103    H    ALA  15           H        ALA  15  -0.410 -13.786  -1.735
  104    HA   ALA  15           HA       ALA  15  -3.317 -13.838  -2.102
  105   1HB   ALA  15          3HB       ALA  15  -1.936 -15.654  -0.106
  106   2HB   ALA  15          2HB       ALA  15  -3.685 -15.321  -0.176
  107   3HB   ALA  15          1HB       ALA  15  -2.881 -16.150  -1.533
  108    H    CYS  16           H        CYS  16  -4.425 -12.677  -0.543
  109    HA   CYS  16           HA       CYS  16  -2.688 -11.008   1.211
  110   1HB   CYS  16          2HB       CYS  16  -5.026 -10.084  -0.479
  111   2HB   CYS  16          1HB       CYS  16  -4.002  -9.083   0.588
  112    H    THR  17           H        THR  17  -3.350 -10.616   3.202
  113    HA   THR  17           HA       THR  17  -5.734 -11.796   4.346
  114    HB   THR  17           HB       THR  17  -5.152  -9.977   6.208
  115    HG1  THR  17           HG1      THR  17  -3.264  -9.384   6.177
  116   1HG2  THR  17          3HG2      THR  17  -4.326 -12.625   5.806
  117   2HG2  THR  17          1HG2      THR  17  -2.859 -11.733   6.282
  118   3HG2  THR  17          2HG2      THR  17  -4.303 -11.696   7.326
  119    H    LEU  18           H        LEU  18  -7.716 -11.022   4.433
  120    HA   LEU  18           HA       LEU  18  -8.262  -8.733   2.791
  121   1HB   LEU  18          1HB       LEU  18 -10.340  -9.690   2.558
  122   2HB   LEU  18          2HB       LEU  18  -9.268 -11.084   2.856
  123    HG   LEU  18           HG       LEU  18 -11.260 -11.536   3.997
  124   1HD1  LEU  18          1HD2      LEU  18  -9.196 -10.407   5.913
  125   2HD1  LEU  18          3HD2      LEU  18 -10.555 -11.457   6.387
  126   3HD1  LEU  18          2HD2      LEU  18  -9.300 -12.069   5.280
  127   1HD2  LEU  18          1HD1      LEU  18 -11.819  -8.938   3.998
  128   2HD2  LEU  18          2HD1      LEU  18 -12.564 -10.067   5.159
  129   3HD2  LEU  18          3HD1      LEU  18 -11.187  -9.052   5.661
  130    H    GLU  19           H        GLU  19  -7.205  -8.371   5.639
  131    HA   GLU  19           HA       GLU  19  -9.027  -6.559   6.951
  132   1HB   GLU  19          1HB       GLU  19  -6.036  -6.843   6.684
  133   2HB   GLU  19          2HB       GLU  19  -6.722  -5.512   7.429
  134   1HG   GLU  19          2HG       GLU  19  -6.027  -6.728   9.096
  135   2HG   GLU  19          1HG       GLU  19  -7.797  -6.962   9.122
  136    OH   TYR  20           OH       TYR  20 -11.817   0.914   0.598
  137    H    TYR  20           H        TYR  20  -9.251  -4.362   6.651
  138    HA   TYR  20           HA       TYR  20  -8.553  -3.478   3.891
  139   1HB   TYR  20          1HB       TYR  20 -10.974  -3.943   4.069
  140   2HB   TYR  20          2HB       TYR  20 -11.096  -2.771   5.412
  141    HD1  TYR  20           HD2      TYR  20 -10.072  -3.033   1.830
  142    HD2  TYR  20           HD1      TYR  20 -11.731  -0.581   4.882
  143    HE1  TYR  20           HE2      TYR  20 -10.626  -1.333   0.150
  144    HE2  TYR  20           HE1      TYR  20 -12.335   1.109   3.204
  145    HH   TYR  20           HH       TYR  20 -12.884   1.076   0.745
  146    NH1  ARG  21           NH1      ARG  21  -7.581   0.942  10.301
  147    NH2  ARG  21           NH2      ARG  21  -5.798   0.427  11.654
  148    H    ARG  21           H        ARG  21  -7.229  -1.859   3.863
  149    HA   ARG  21           HA       ARG  21  -7.206   0.171   5.941
  150   1HB   ARG  21          1HB       ARG  21  -4.775  -1.608   5.603
  151   2HB   ARG  21          2HB       ARG  21  -4.852  -0.089   6.541
  152   1HG   ARG  21          1HG       ARG  21  -6.417  -2.625   7.135
  153   2HG   ARG  21          2HG       ARG  21  -4.944  -2.080   7.984
  154   1HD   ARG  21          1HD       ARG  21  -6.979  -0.013   7.842
  155   2HD   ARG  21          2HD       ARG  21  -7.561  -1.496   8.647
  156    HE   ARG  21           HE       ARG  21  -5.035  -0.921   9.717
  157   1HH1  ARG  21          2HH1      ARG  21  -8.077   0.839   9.439
  158   2HH1  ARG  21          1HH1      ARG  21  -7.931   1.558  11.007
  159   1HH2  ARG  21          2HH2      ARG  21  -4.944  -0.067  11.814
  160   2HH2  ARG  21          1HH2      ARG  21  -6.156   1.047  12.352
  161    HA   PRO  22           HA       PRO  22  -6.363   0.716   1.331
  162   1HB   PRO  22          1HB       PRO  22  -7.940   3.115   1.395
  163   2HB   PRO  22          2HB       PRO  22  -8.451   1.498   0.842
  164   1HG   PRO  22          2HG       PRO  22  -9.479   2.842   3.060
  165   2HG   PRO  22          1HG       PRO  22  -9.597   1.082   2.779
  166   1HD   PRO  22          2HD       PRO  22  -7.715   2.603   4.594
  167   2HD   PRO  22          1HD       PRO  22  -8.488   1.011   4.831
  168    H    LEU  23           H        LEU  23  -4.899   1.618   0.231
  169    HA   LEU  23           HA       LEU  23  -3.565   3.996   1.438
  170   1HB   LEU  23          1HB       LEU  23  -2.376   1.470   0.262
  171   2HB   LEU  23          2HB       LEU  23  -1.449   2.951   0.622
  172    HG   LEU  23           HG       LEU  23  -2.815   2.350   2.992
  173   1HD1  LEU  23          3HD1      LEU  23  -3.091   0.058   1.709
  174   2HD1  LEU  23          2HD1      LEU  23  -1.405  -0.177   2.233
  175   3HD1  LEU  23          1HD1      LEU  23  -2.681   0.114   3.442
  176   1HD2  LEU  23          3HD2      LEU  23   0.019   1.818   2.045
  177   2HD2  LEU  23          1HD2      LEU  23  -0.597   3.245   2.916
  178   3HD2  LEU  23          2HD2      LEU  23  -0.500   1.670   3.743
  179    H    CYS  24           H        CYS  24  -3.770   5.666   0.156
  180    HA   CYS  24           HA       CYS  24  -4.528   5.256  -2.675
  181   1HB   CYS  24          2HB       CYS  24  -5.746   6.857  -1.113
  182   2HB   CYS  24          1HB       CYS  24  -4.292   7.889  -1.225
  183    H    GLY  25           H        GLY  25  -3.304   5.881  -4.361
  184   1HA   GLY  25          2HA       GLY  25  -0.423   5.967  -3.747
  185   2HA   GLY  25          1HA       GLY  25  -1.174   5.552  -5.311
  186    H    SER  26           H        SER  26   0.764   7.097  -5.785
  187    HA   SER  26           HA       SER  26   0.076   9.895  -5.839
  188   1HB   SER  26          2HB       SER  26   2.376   9.237  -6.020
  189   2HB   SER  26          1HB       SER  26   2.042   8.290  -7.498
  190    HG   SER  26           HG       SER  26   1.766  11.147  -7.005
  191    H    ASP  27           H        ASP  27  -0.705   7.102  -7.775
  192    HA   ASP  27           HA       ASP  27  -1.759   8.488 -10.022
  193   1HB   ASP  27          2HB       ASP  27  -3.003   6.433 -10.488
  194   2HB   ASP  27          1HB       ASP  27  -1.256   6.182 -10.201
  195    H    ASN  28           H        ASN  28  -2.865   8.117  -6.781
  196    HA   ASN  28           HA       ASN  28  -4.647   8.987  -5.681
  197   1HB   ASN  28          2HB       ASN  28  -5.594  10.337  -8.192
  198   2HB   ASN  28          1HB       ASN  28  -5.879  10.775  -6.483
  199   1HD2  ASN  28          2HD2      ASN  28  -3.268  12.991  -8.101
  200   2HD2  ASN  28          1HD2      ASN  28  -4.856  12.494  -8.584
  201    H    LYS  29           H        LYS  29  -4.611   6.478  -7.343
  202    HA   LYS  29           HA       LYS  29  -7.506   5.974  -6.823
  203   1HB   LYS  29          1HB       LYS  29  -5.904   5.225  -9.027
  204   2HB   LYS  29          2HB       LYS  29  -6.172   3.737  -8.077
  205   1HG   LYS  29          2HG       LYS  29  -8.481   5.561  -8.726
  206   2HG   LYS  29          1HG       LYS  29  -7.861   4.422  -9.955
  207   1HD   LYS  29          2HD       LYS  29  -8.111   2.685  -8.000
  208   2HD   LYS  29          1HD       LYS  29  -9.138   3.898  -7.288
  209   1HE   LYS  29          2HE       LYS  29 -10.303   2.121  -8.616
  210   2HE   LYS  29          1HE       LYS  29 -10.704   3.818  -8.992
  211   1HZ   LYS  29          3HZ       LYS  29  -8.723   2.331 -10.390
  212   2HZ   LYS  29          1HZ       LYS  29 -10.293   2.315 -10.809
  213   3HZ   LYS  29          2HZ       LYS  29  -9.493   3.730 -10.814
  214    H    THR  30           H        THR  30  -8.021   3.984  -5.749
  215    HA   THR  30           HA       THR  30  -6.282   3.824  -3.405
  216    HB   THR  30           HB       THR  30  -8.935   2.357  -3.604
  217    HG1  THR  30           HG1      THR  30  -9.961   3.952  -3.446
  218   1HG2  THR  30          1HG2      THR  30  -7.483   3.855  -1.422
  219   2HG2  THR  30          2HG2      THR  30  -9.192   3.366  -1.286
  220   3HG2  THR  30          3HG2      THR  30  -7.924   2.129  -1.486
  221    OH   TYR  31           OH       TYR  31  -2.584   0.777  -8.902
  222    H    TYR  31           H        TYR  31  -5.312   2.058  -2.594
  223    HA   TYR  31           HA       TYR  31  -5.811  -0.544  -3.943
  224   1HB   TYR  31          1HB       TYR  31  -3.190   0.482  -2.798
  225   2HB   TYR  31          2HB       TYR  31  -3.515  -1.237  -3.160
  226    HD1  TYR  31           HD2      TYR  31  -4.212  -1.780  -5.591
  227    HD2  TYR  31           HD1      TYR  31  -2.425   1.926  -4.515
  228    HE1  TYR  31           HE2      TYR  31  -3.723  -1.338  -7.955
  229    HE2  TYR  31           HE1      TYR  31  -1.904   2.367  -6.876
  230    HH   TYR  31           HH       TYR  31  -1.499   0.853  -8.934
  231    H    GLY  32           H        GLY  32  -6.642  -2.020  -2.656
  232   1HA   GLY  32          1HA       GLY  32  -8.034  -1.097  -0.563
  233   2HA   GLY  32          2HA       GLY  32  -7.788  -2.844  -0.833
  234    H    ASN  33           H        ASN  33  -4.928  -2.795  -0.340
  235    HA   ASN  33           HA       ASN  33  -4.432  -1.571   2.252
  236   1HB   ASN  33          2HB       ASN  33  -4.084  -3.713   3.425
  237   2HB   ASN  33          1HB       ASN  33  -5.785  -3.331   3.033
  238   1HD2  ASN  33          2HD2      ASN  33  -4.580  -6.934   2.222
  239   2HD2  ASN  33          1HD2      ASN  33  -4.370  -5.926   3.617
  240    H    LYS  34           H        LYS  34  -2.368  -3.013   3.165
  241    HA   LYS  34           HA       LYS  34  -0.325  -1.885   1.589
  242   1HB   LYS  34          1HB       LYS  34   1.226  -3.211   3.081
  243   2HB   LYS  34          2HB       LYS  34   0.091  -2.097   3.896
  244   1HG   LYS  34          2HG       LYS  34  -0.301  -3.857   5.252
  245   2HG   LYS  34          1HG       LYS  34  -1.348  -4.426   3.918
  246   1HD   LYS  34          1HD       LYS  34   0.146  -6.145   4.818
  247   2HD   LYS  34          2HD       LYS  34   0.355  -5.872   3.110
  248   1HE   LYS  34          1HE       LYS  34   2.423  -6.191   4.541
  249   2HE   LYS  34          2HE       LYS  34   2.421  -4.817   3.402
  250   1HZ   LYS  34          1HZ       LYS  34   1.739  -4.691   6.177
  251   2HZ   LYS  34          2HZ       LYS  34   3.187  -4.324   5.536
  252   3HZ   LYS  34          3HZ       LYS  34   1.840  -3.458   5.122
  253    H    CYS  35           H        CYS  35  -1.774  -5.054   1.538
  254    HA   CYS  35           HA       CYS  35   0.180  -6.299  -0.094
  255   1HB   CYS  35          2HB       CYS  35  -1.756  -7.360   1.176
  256   2HB   CYS  35          1HB       CYS  35  -2.772  -6.901  -0.222
  257    H    ASN  36           H        ASN  36  -2.992  -4.933  -1.075
  258    HA   ASN  36           HA       ASN  36  -2.324  -5.267  -3.822
  259   1HB   ASN  36          2HB       ASN  36  -4.666  -3.986  -2.436
  260   2HB   ASN  36          1HB       ASN  36  -4.495  -4.046  -4.214
  261   1HD2  ASN  36          2HD2      ASN  36  -5.218  -7.488  -2.038
  262   2HD2  ASN  36          1HD2      ASN  36  -4.745  -6.016  -1.257
  263    H    PHE  37           H        PHE  37  -1.889  -2.682  -1.579
  264    HA   PHE  37           HA       PHE  37  -1.241  -0.638  -3.516
  265   1HB   PHE  37          1HB       PHE  37  -1.639   0.118  -1.293
  266   2HB   PHE  37          2HB       PHE  37  -0.475  -1.030  -0.590
  267    HD1  PHE  37           HD1      PHE  37  -0.651   1.722  -3.056
  268    HD2  PHE  37           HD2      PHE  37   1.623  -0.086   0.063
  269    HE1  PHE  37           HE1      PHE  37   1.081   3.440  -3.342
  270    HE2  PHE  37           HE2      PHE  37   3.179   1.842   0.041
  271    HZ   PHE  37           HZ       PHE  37   2.987   3.518  -1.780
  272    H    CYS  38           H        CYS  38   0.786  -2.856  -1.541
  273    HA   CYS  38           HA       CYS  38   3.118  -1.975  -2.839
  274   1HB   CYS  38          2HB       CYS  38   2.562  -4.269  -0.965
  275   2HB   CYS  38          1HB       CYS  38   4.182  -3.977  -1.658
  276    H    ASN  39           H        ASN  39   0.887  -4.476  -3.681
  277    HA   ASN  39           HA       ASN  39   2.548  -5.817  -5.618
  278   1HB   ASN  39          2HB       ASN  39  -0.454  -5.492  -5.518
  279   2HB   ASN  39          1HB       ASN  39   0.456  -6.551  -6.632
  280   1HD2  ASN  39          2HD2      ASN  39  -0.846  -8.413  -3.592
  281   2HD2  ASN  39          1HD2      ASN  39  -1.578  -7.397  -4.789
  282    H    ALA  40           H        ALA  40   0.299  -3.054  -5.737
  283    HA   ALA  40           HA       ALA  40   0.627  -2.679  -8.557
  284   1HB   ALA  40          3HB       ALA  40  -0.698  -1.233  -6.309
  285   2HB   ALA  40          1HB       ALA  40  -0.375  -0.336  -7.814
  286   3HB   ALA  40          2HB       ALA  40  -1.358  -1.823  -7.855
  287    H    VAL  41           H        VAL  41   2.438  -1.665  -5.778
  288    HA   VAL  41           HA       VAL  41   4.001   0.257  -7.235
  289    HB   VAL  41           HB       VAL  41   4.502  -1.188  -4.625
  290   1HG1  VAL  41          2HG1      VAL  41   6.128   0.821  -6.090
  291   2HG1  VAL  41          1HG1      VAL  41   5.931   1.058  -4.337
  292   3HG1  VAL  41          3HG1      VAL  41   6.620  -0.462  -4.958
  293   1HG2  VAL  41          2HG2      VAL  41   2.492   0.483  -5.050
  294   2HG2  VAL  41          1HG2      VAL  41   3.411   0.472  -3.526
  295   3HG2  VAL  41          3HG2      VAL  41   3.765   1.695  -4.770
  296    H    VAL  42           H        VAL  42   4.737  -3.056  -6.080
  297    HA   VAL  42           HA       VAL  42   7.235  -3.092  -7.320
  298    HB   VAL  42           HB       VAL  42   6.762  -4.417  -5.413
  299   1HG1  VAL  42          1HG1      VAL  42   4.348  -5.099  -6.672
  300   2HG1  VAL  42          2HG1      VAL  42   5.256  -6.622  -6.503
  301   3HG1  VAL  42          3HG1      VAL  42   4.932  -5.615  -5.071
  302   1HG2  VAL  42          1HG2      VAL  42   8.118  -5.361  -7.636
  303   2HG2  VAL  42          2HG2      VAL  42   8.247  -5.969  -5.969
  304   3HG2  VAL  42          3HG2      VAL  42   7.129  -6.747  -7.116
  305    H    GLU  43           H        GLU  43   4.112  -3.768  -8.632
  306    HA   GLU  43           HA       GLU  43   5.086  -4.960 -11.143
  307   1HB   GLU  43          2HB       GLU  43   2.632  -3.860  -9.935
  308   2HB   GLU  43          1HB       GLU  43   2.675  -3.786 -11.604
  309   1HG   GLU  43          1HG       GLU  43   3.160  -6.446 -10.408
  310   2HG   GLU  43          2HG       GLU  43   1.602  -5.633 -10.085
  311    H    SER  44           H        SER  44   3.902  -1.826  -9.876
  312    HA   SER  44           HA       SER  44   4.333  -0.287 -12.090
  313   1HB   SER  44          2HB       SER  44   3.189   0.661 -10.284
  314   2HB   SER  44          1HB       SER  44   4.576   0.469  -9.171
  315    HG   SER  44           HG       SER  44   5.785   1.955 -10.273
  316    H    ASN  45           H        ASN  45   6.774  -1.740 -10.153
  317    HA   ASN  45           HA       ASN  45   8.990  -1.785 -10.243
  318   1HB   ASN  45          1HB       ASN  45   9.831  -1.941 -12.238
  319   2HB   ASN  45          2HB       ASN  45   8.158  -1.667 -12.783
  320   1HD2  ASN  45          2HD2      ASN  45  10.628   0.395 -14.725
  321   2HD2  ASN  45          1HD2      ASN  45  10.395  -1.292 -14.403
  322    H    GLY  46           H        GLY  46   7.936   0.030  -8.587
  323   1HA   GLY  46          1HA       GLY  46   9.289   1.173  -7.046
  324   2HA   GLY  46          2HA       GLY  46  10.336   1.728  -8.377
  325    H    THR  47           H        THR  47   7.732   2.460  -9.870
  326    HA   THR  47           HA       THR  47   8.376   5.200  -9.275
  327    HB   THR  47           HB       THR  47   7.141   5.737 -11.370
  328    HG1  THR  47           HG1      THR  47   6.157   4.400 -12.363
  329   1HG2  THR  47          3HG2      THR  47   8.942   3.317 -11.628
  330   2HG2  THR  47          2HG2      THR  47   8.393   4.324 -12.992
  331   3HG2  THR  47          1HG2      THR  47   9.411   5.034 -11.714
  332    H    LEU  48           H        LEU  48   5.578   3.140  -8.803
  333    HA   LEU  48           HA       LEU  48   3.752   5.349  -8.167
  334   1HB   LEU  48          1HB       LEU  48   2.745   3.463  -9.112
  335   2HB   LEU  48          2HB       LEU  48   3.668   2.335  -8.078
  336    HG   LEU  48           HG       LEU  48   2.335   3.348  -6.131
  337   1HD1  LEU  48          1HD1      LEU  48   1.462   5.225  -7.639
  338   2HD1  LEU  48          2HD1      LEU  48   0.385   3.996  -8.350
  339   3HD1  LEU  48          3HD1      LEU  48   0.268   4.385  -6.616
  340   1HD2  LEU  48          1HD2      LEU  48   1.214   1.594  -8.328
  341   2HD2  LEU  48          3HD2      LEU  48   1.985   1.105  -6.797
  342   3HD2  LEU  48          2HD2      LEU  48   0.364   1.848  -6.783
  343    H    THR  49           H        THR  49   3.332   6.123  -6.188
  344    HA   THR  49           HA       THR  49   4.689   4.925  -3.831
  345    HB   THR  49           HB       THR  49   5.806   6.981  -3.284
  346    HG1  THR  49           HG1      THR  49   4.611   7.892  -5.567
  347   1HG2  THR  49          3HG2      THR  49   6.753   5.493  -5.203
  348   2HG2  THR  49          2HG2      THR  49   6.420   6.922  -6.216
  349   3HG2  THR  49          1HG2      THR  49   7.504   7.061  -4.808
  350    H    LEU  50           H        LEU  50   4.144   6.135  -1.819
  351    HA   LEU  50           HA       LEU  50   1.264   6.168  -1.772
  352   1HB   LEU  50          1HB       LEU  50   2.693   4.760  -0.379
  353   2HB   LEU  50          2HB       LEU  50   3.390   6.211   0.392
  354    HG   LEU  50           HG       LEU  50   1.263   6.699   1.469
  355   1HD1  LEU  50          1HD1      LEU  50   0.314   4.539  -0.361
  356   2HD1  LEU  50          2HD1      LEU  50  -0.408   4.638   1.265
  357   3HD1  LEU  50          3HD1      LEU  50  -0.492   6.038   0.166
  358   1HD2  LEU  50          2HD2      LEU  50   2.431   3.930   1.672
  359   2HD2  LEU  50          1HD2      LEU  50   2.598   5.315   2.780
  360   3HD2  LEU  50          3HD2      LEU  50   1.061   4.417   2.702
  361    H    SER  51           H        SER  51  -0.007   7.866  -1.702
  362    HA   SER  51           HA       SER  51   1.211  10.550  -1.423
  363   1HB   SER  51          2HB       SER  51  -0.304  10.062  -3.343
  364   2HB   SER  51          1HB       SER  51  -1.639   9.850  -2.175
  365    HG   SER  51           HG       SER  51  -1.264  11.944  -1.344
  366    H    HIS  52           H        HIS  52  -1.328   8.457  -0.054
  367    HA   HIS  52           HA       HIS  52  -0.630   9.381   2.574
  368   1HB   HIS  52          2HB       HIS  52  -2.918  10.041   3.311
  369   2HB   HIS  52          1HB       HIS  52  -2.169  11.209   2.184
  370    HD1  HIS  52           HD1      HIS  52  -5.306   9.441   2.717
  371    HD2  HIS  52           HD2      HIS  52  -3.070  10.539  -0.621
  372    HE1  HIS  52           HE1      HIS  52  -6.826   9.204   0.739
  373    HE2  HIS  52           HE2      HIS  52  -5.487   9.897  -1.281
  374    H    PHE  53           H        PHE  53  -1.476   8.068   4.212
  375    HA   PHE  53           HA       PHE  53  -2.295   5.378   3.492
  376   1HB   PHE  53          1HB       PHE  53  -2.377   6.806   6.186
  377   2HB   PHE  53          2HB       PHE  53  -2.743   5.079   5.910
  378    HD1  PHE  53           HD2      PHE  53   0.088   7.458   4.997
  379    HD2  PHE  53           HD1      PHE  53  -1.162   3.677   6.522
  380    HE1  PHE  53           HE2      PHE  53   2.424   6.935   5.651
  381    HE2  PHE  53           HE1      PHE  53   1.187   2.950   6.651
  382    HZ   PHE  53           HZ       PHE  53   2.979   4.619   6.349
  383    H    GLY  54           H        GLY  54  -4.349   4.520   4.542
  384   1HA   GLY  54          1HA       GLY  54  -6.657   4.433   4.492
  385   2HA   GLY  54          2HA       GLY  54  -6.654   6.210   4.644
  386    H    LYS  55           H        LYS  55  -8.576   5.719   3.179
  387    HA   LYS  55           HA       LYS  55  -7.892   4.984   0.437
  388   1HB   LYS  55          1HB       LYS  55 -10.341   5.123   0.074
  389   2HB   LYS  55          2HB       LYS  55  -9.866   4.007   1.386
  390   1HG   LYS  55          1HG       LYS  55 -11.449   5.029   2.609
  391   2HG   LYS  55          2HG       LYS  55 -10.297   6.389   2.731
  392   1HD   LYS  55          2HD       LYS  55 -11.345   7.157   0.486
  393   2HD   LYS  55          1HD       LYS  55 -12.638   6.062   0.897
  394   1HE   LYS  55          2HE       LYS  55 -11.762   8.003   2.974
  395   2HE   LYS  55          1HE       LYS  55 -12.690   8.596   1.570
  396   1HZ   LYS  55          1HZ       LYS  55 -13.478   6.374   3.177
  397   2HZ   LYS  55          2HZ       LYS  55 -13.907   7.911   3.487
  398   3HZ   LYS  55          3HZ       LYS  55 -14.336   7.189   2.062
  399    H    CYS  56           H        CYS  56  -8.617   6.195  -1.403
  400    HA   CYS  56           HA       CYS  56  -7.689   8.806  -1.384
  401   1HB   CYS  56          2HB       CYS  56  -9.606   7.582  -3.385
  402   2HB   CYS  56          1HB       CYS  56  -8.589   9.031  -3.629
   
  Start of MODEL           2
 Raw file had 402 H/Q atoms
  Start of MODEL    2
    1   1H    LEU   1          2H        LEU   1  10.553  17.587   9.778
    2   2H    LEU   1          1H        LEU   1  10.278  17.902  11.357
    3   3H    LEU   1          3H        LEU   1  11.765  17.439  10.863
    4    HA   LEU   1           HA       LEU   1  11.228  15.290  10.543
    5   1HB   LEU   1          1HB       LEU   1  11.126  16.264  12.913
    6   2HB   LEU   1          2HB       LEU   1   9.354  16.092  12.774
    7    HG   LEU   1           HG       LEU   1  10.236  14.250  14.025
    8   1HD1  LEU   1          1HD1      LEU   1   8.418  13.826  12.350
    9   2HD1  LEU   1          2HD1      LEU   1   9.671  13.275  11.209
   10   3HD1  LEU   1          3HD1      LEU   1   9.409  12.396  12.736
   11   1HD2  LEU   1          3HD2      LEU   1  12.242  14.303  11.835
   12   2HD2  LEU   1          2HD2      LEU   1  12.433  13.915  13.565
   13   3HD2  LEU   1          1HD2      LEU   1  11.777  12.694  12.445
   14    H    ALA   2           H        ALA   2  10.166  14.295   9.001
   15    HA   ALA   2           HA       ALA   2   7.280  14.142   8.829
   16   1HB   ALA   2          3HB       ALA   2   8.647  16.400   7.637
   17   2HB   ALA   2          1HB       ALA   2   7.853  15.395   6.399
   18   3HB   ALA   2          2HB       ALA   2   6.906  16.045   7.761
   19    H    ALA   3           H        ALA   3   6.755  12.395   7.729
   20    HA   ALA   3           HA       ALA   3   7.830  11.686   5.255
   21   1HB   ALA   3          1HB       ALA   3   9.337  10.612   7.516
   22   2HB   ALA   3          3HB       ALA   3   8.715   9.347   6.424
   23   3HB   ALA   3          2HB       ALA   3   9.733  10.660   5.779
   24    H    VAL   4           H        VAL   4   6.623  10.134   4.263
   25    HA   VAL   4           HA       VAL   4   5.051   8.309   5.928
   26    HB   VAL   4           HB       VAL   4   3.588  10.272   5.394
   27   1HG1  VAL   4          3HG1      VAL   4   4.563  10.197   2.879
   28   2HG1  VAL   4          1HG1      VAL   4   3.056   9.276   2.659
   29   3HG1  VAL   4          2HG1      VAL   4   3.001  10.928   3.322
   30   1HG2  VAL   4          1HG2      VAL   4   2.941   7.435   4.745
   31   2HG2  VAL   4          2HG2      VAL   4   2.348   8.483   6.056
   32   3HG2  VAL   4          3HG2      VAL   4   1.722   8.685   4.401
   33    H    SER   5           H        SER   5   5.465   6.350   5.296
   34    HA   SER   5           HA       SER   5   5.737   5.569   2.557
   35   1HB   SER   5          2HB       SER   5   8.109   4.819   2.682
   36   2HB   SER   5          1HB       SER   5   7.896   6.591   2.591
   37    HG   SER   5           HG       SER   5   9.339   6.493   4.099
   38    H    VAL   6           H        VAL   6   4.380   3.967   2.927
   39    HA   VAL   6           HA       VAL   6   4.719   1.862   4.834
   40    HB   VAL   6           HB       VAL   6   3.546   1.818   2.047
   41   1HG1  VAL   6          3HG1      VAL   6   3.336  -0.129   4.347
   42   2HG1  VAL   6          2HG1      VAL   6   2.153  -0.075   3.018
   43   3HG1  VAL   6          1HG1      VAL   6   3.862  -0.434   2.674
   44   1HG2  VAL   6          2HG2      VAL   6   2.628   3.494   3.786
   45   2HG2  VAL   6          1HG2      VAL   6   1.488   2.454   2.898
   46   3HG2  VAL   6          3HG2      VAL   6   1.938   2.053   4.573
   47    H    ASP   7           H        ASP   7   5.405  -0.348   4.215
   48    HA   ASP   7           HA       ASP   7   7.859  -0.193   2.563
   49   1HB   ASP   7          2HB       ASP   7   7.443  -0.972   5.266
   50   2HB   ASP   7          1HB       ASP   7   8.013  -2.388   4.337
   51    H    CYS   8           H        CYS   8   8.362  -1.693   1.093
   52    HA   CYS   8           HA       CYS   8   6.145  -3.538   0.348
   53   1HB   CYS   8          2HB       CYS   8   7.540  -1.558  -1.468
   54   2HB   CYS   8          1HB       CYS   8   6.217  -2.678  -1.895
   55    H    SER   9           H        SER   9   8.889  -3.978   1.473
   56    HA   SER   9           HA       SER   9  10.720  -4.570  -0.707
   57   1HB   SER   9          2HB       SER   9  10.871  -4.338   2.134
   58   2HB   SER   9          1HB       SER   9  11.503  -5.939   1.649
   59    HG   SER   9           HG       SER   9  12.221  -3.252   0.829
   60    H    GLU  10           H        GLU  10   8.094  -6.181   0.830
   61    HA   GLU  10           HA       GLU  10   9.285  -8.858   0.351
   62   1HB   GLU  10          1HB       GLU  10   6.848  -8.373   1.973
   63   2HB   GLU  10          2HB       GLU  10   8.031  -9.550   2.093
   64   1HG   GLU  10          1HG       GLU  10   8.198  -8.316   4.030
   65   2HG   GLU  10          2HG       GLU  10   9.615  -8.034   2.977
   66    OH   TYR  11           OH       TYR  11   2.900  -6.902   2.522
   67    H    TYR  11           H        TYR  11   7.958  -7.279  -1.761
   68    HA   TYR  11           HA       TYR  11   5.626  -9.049  -2.306
   69   1HB   TYR  11          1HB       TYR  11   6.014  -6.061  -2.732
   70   2HB   TYR  11          2HB       TYR  11   4.641  -6.998  -3.387
   71    HD1  TYR  11           HD2      TYR  11   6.316  -5.973  -0.233
   72    HD2  TYR  11           HD1      TYR  11   2.790  -7.606  -1.959
   73    HE1  TYR  11           HE2      TYR  11   5.222  -5.914   1.964
   74    HE2  TYR  11           HE1      TYR  11   1.700  -7.597   0.244
   75    HH   TYR  11           HH       TYR  11   1.825  -6.825   2.377
   76    HA   PRO  12           HA       PRO  12   4.122  -8.661  -3.996
   77   1HB   PRO  12          1HB       PRO  12   3.409  -9.737  -6.428
   78   2HB   PRO  12          2HB       PRO  12   3.920  -8.036  -6.239
   79   1HG   PRO  12          2HG       PRO  12   5.260 -10.173  -7.663
   80   2HG   PRO  12          1HG       PRO  12   5.739  -8.458  -7.525
   81   1HD   PRO  12          1HD       PRO  12   6.728 -10.835  -5.983
   82   2HD   PRO  12          2HD       PRO  12   7.546  -9.288  -6.334
   83    H    LYS  13           H        LYS  13   2.385 -10.178  -3.811
   84    HA   LYS  13           HA       LYS  13   3.555 -12.663  -2.636
   85   1HB   LYS  13          1HB       LYS  13   1.187 -11.016  -1.690
   86   2HB   LYS  13          2HB       LYS  13   1.608 -12.645  -1.087
   87   1HG   LYS  13          2HG       LYS  13   3.976 -11.369  -0.712
   88   2HG   LYS  13          1HG       LYS  13   2.845 -10.001  -0.510
   89   1HD   LYS  13          2HD       LYS  13   1.723 -11.117   1.275
   90   2HD   LYS  13          1HD       LYS  13   2.499 -12.633   0.905
   91   1HE   LYS  13          1HE       LYS  13   4.592 -10.842   1.354
   92   2HE   LYS  13          2HE       LYS  13   3.385 -10.509   2.626
   93   1HZ   LYS  13          2HZ       LYS  13   4.374 -13.092   1.922
   94   2HZ   LYS  13          3HZ       LYS  13   4.928 -12.148   3.163
   95   3HZ   LYS  13          1HZ       LYS  13   3.399 -12.705   3.165
   96    HA   PRO  14           HA       PRO  14   0.022 -14.515  -5.003
   97   1HB   PRO  14          1HB       PRO  14   0.841 -17.058  -4.407
   98   2HB   PRO  14          2HB       PRO  14   1.772 -15.991  -5.497
   99   1HG   PRO  14          2HG       PRO  14   2.506 -16.998  -2.863
  100   2HG   PRO  14          1HG       PRO  14   3.492 -16.053  -4.015
  101   1HD   PRO  14          2HD       PRO  14   1.961 -15.118  -1.624
  102   2HD   PRO  14          1HD       PRO  14   3.349 -14.359  -2.451
  103    H    ALA  15           H        ALA  15  -0.313 -13.383  -2.282
  104    HA   ALA  15           HA       ALA  15  -2.990 -14.079  -2.176
  105   1HB   ALA  15          1HB       ALA  15  -1.297 -15.857  -0.549
  106   2HB   ALA  15          3HB       ALA  15  -2.672 -15.126   0.318
  107   3HB   ALA  15          2HB       ALA  15  -2.956 -16.073  -1.164
  108    H    CYS  16           H        CYS  16  -4.151 -12.962  -0.517
  109    HA   CYS  16           HA       CYS  16  -2.531 -10.991   1.015
  110   1HB   CYS  16          2HB       CYS  16  -4.879 -10.372  -0.797
  111   2HB   CYS  16          1HB       CYS  16  -4.022  -9.219   0.264
  112    H    THR  17           H        THR  17  -3.589  -9.986   2.753
  113    HA   THR  17           HA       THR  17  -5.820 -11.551   3.922
  114    HB   THR  17           HB       THR  17  -5.360  -9.591   5.774
  115    HG1  THR  17           HG1      THR  17  -3.491  -9.111   5.871
  116   1HG2  THR  17          2HG2      THR  17  -4.714 -12.343   5.560
  117   2HG2  THR  17          3HG2      THR  17  -3.294 -11.514   6.249
  118   3HG2  THR  17          1HG2      THR  17  -4.887 -11.353   7.032
  119    H    LEU  18           H        LEU  18  -7.812 -10.729   4.194
  120    HA   LEU  18           HA       LEU  18  -8.455  -8.861   2.113
  121   1HB   LEU  18          2HB       LEU  18 -10.439 -10.148   3.975
  122   2HB   LEU  18          1HB       LEU  18 -10.571  -9.800   2.228
  123    HG   LEU  18           HG       LEU  18  -8.965 -12.010   3.533
  124   1HD1  LEU  18          3HD2      LEU  18 -11.595 -11.761   2.114
  125   2HD1  LEU  18          1HD2      LEU  18 -10.644 -13.255   1.921
  126   3HD1  LEU  18          2HD2      LEU  18 -11.153 -12.727   3.545
  127   1HD2  LEU  18          3HD1      LEU  18  -8.809 -10.746   0.893
  128   2HD2  LEU  18          1HD1      LEU  18  -7.693 -11.883   1.691
  129   3HD2  LEU  18          2HD1      LEU  18  -9.118 -12.499   0.817
  130    H    GLU  19           H        GLU  19  -8.323  -8.725   5.590
  131    HA   GLU  19           HA       GLU  19 -10.238  -6.846   6.171
  132   1HB   GLU  19          1HB       GLU  19  -9.088  -6.509   8.185
  133   2HB   GLU  19          2HB       GLU  19  -9.048  -8.115   7.720
  134   1HG   GLU  19          1HG       GLU  19  -6.595  -6.729   7.031
  135   2HG   GLU  19          2HG       GLU  19  -7.053  -6.824   8.755
  136    OH   TYR  20           OH       TYR  20 -11.530   1.228   0.601
  137    H    TYR  20           H        TYR  20 -10.412  -4.663   6.255
  138    HA   TYR  20           HA       TYR  20  -8.970  -3.565   3.977
  139   1HB   TYR  20          1HB       TYR  20 -11.430  -3.765   3.989
  140   2HB   TYR  20          2HB       TYR  20 -11.516  -2.614   5.352
  141    HD1  TYR  20           HD2      TYR  20 -10.301  -2.910   1.829
  142    HD2  TYR  20           HD1      TYR  20 -12.028  -0.409   4.804
  143    HE1  TYR  20           HE2      TYR  20 -10.387  -1.057   0.215
  144    HE2  TYR  20           HE1      TYR  20 -12.349   1.363   3.133
  145    HH   TYR  20           HH       TYR  20 -11.374   2.146   1.165
  146    NH1  ARG  21           NH1      ARG  21  -5.448  -4.463   9.102
  147    NH2  ARG  21           NH2      ARG  21  -5.874  -4.133  11.334
  148    H    ARG  21           H        ARG  21  -7.777  -1.783   3.883
  149    HA   ARG  21           HA       ARG  21  -7.499   0.106   6.038
  150   1HB   ARG  21          1HB       ARG  21  -5.494  -2.140   5.814
  151   2HB   ARG  21          2HB       ARG  21  -5.057  -0.529   6.451
  152   1HG   ARG  21          2HG       ARG  21  -7.136  -0.962   8.031
  153   2HG   ARG  21          1HG       ARG  21  -6.783  -2.670   7.644
  154   1HD   ARG  21          1HD       ARG  21  -4.398  -2.191   8.283
  155   2HD   ARG  21          2HD       ARG  21  -4.975  -0.625   8.918
  156    HE   ARG  21           HE       ARG  21  -5.948  -1.733  10.711
  157   1HH1  ARG  21          2HH1      ARG  21  -5.292  -4.100   8.183
  158   2HH1  ARG  21          1HH1      ARG  21  -5.460  -5.451   9.252
  159   1HH2  ARG  21          2HH2      ARG  21  -6.039  -3.518  12.105
  160   2HH2  ARG  21          1HH2      ARG  21  -5.886  -5.123  11.472
  161    HA   PRO  22           HA       PRO  22  -6.460   0.639   1.466
  162   1HB   PRO  22          1HB       PRO  22  -7.750   3.198   1.525
  163   2HB   PRO  22          2HB       PRO  22  -8.442   1.657   0.950
  164   1HG   PRO  22          2HG       PRO  22  -9.332   3.110   3.165
  165   2HG   PRO  22          1HG       PRO  22  -9.680   1.387   2.851
  166   1HD   PRO  22          2HD       PRO  22  -7.659   2.614   4.737
  167   2HD   PRO  22          1HD       PRO  22  -8.634   1.129   4.921
  168    H    LEU  23           H        LEU  23  -4.943   1.529   0.359
  169    HA   LEU  23           HA       LEU  23  -3.474   3.793   1.604
  170   1HB   LEU  23          1HB       LEU  23  -2.313   1.211   0.521
  171   2HB   LEU  23          2HB       LEU  23  -1.378   2.640   1.042
  172    HG   LEU  23           HG       LEU  23  -2.935   2.050   3.253
  173   1HD1  LEU  23          2HD1      LEU  23  -3.472  -0.126   1.969
  174   2HD1  LEU  23          3HD1      LEU  23  -1.791  -0.584   2.343
  175   3HD1  LEU  23          1HD1      LEU  23  -2.936  -0.240   3.664
  176   1HD2  LEU  23          3HD2      LEU  23  -0.112   1.359   2.425
  177   2HD2  LEU  23          1HD2      LEU  23  -0.681   2.667   3.493
  178   3HD2  LEU  23          2HD2      LEU  23  -0.729   0.975   4.051
  179    H    CYS  24           H        CYS  24  -3.144   5.388   0.227
  180    HA   CYS  24           HA       CYS  24  -4.194   4.991  -2.524
  181   1HB   CYS  24          2HB       CYS  24  -5.096   6.849  -1.082
  182   2HB   CYS  24          1HB       CYS  24  -3.487   7.612  -1.195
  183    H    GLY  25           H        GLY  25  -3.011   5.619  -4.317
  184   1HA   GLY  25          2HA       GLY  25  -0.078   5.947  -3.884
  185   2HA   GLY  25          1HA       GLY  25  -0.847   5.307  -5.361
  186    H    SER  26           H        SER  26   0.669   6.991  -6.252
  187    HA   SER  26           HA       SER  26  -0.099   9.738  -5.780
  188   1HB   SER  26          1HB       SER  26   2.216   9.319  -5.818
  189   2HB   SER  26          2HB       SER  26   2.109   8.407  -7.350
  190    HG   SER  26           HG       SER  26   2.472  11.080  -6.800
  191    H    ASP  27           H        ASP  27  -0.644   7.349  -8.237
  192    HA   ASP  27           HA       ASP  27  -1.760   9.076 -10.233
  193   1HB   ASP  27          2HB       ASP  27  -2.901   7.139 -11.060
  194   2HB   ASP  27          1HB       ASP  27  -1.195   6.760 -10.681
  195    H    ASN  28           H        ASN  28  -2.686   8.218  -7.038
  196    HA   ASN  28           HA       ASN  28  -4.336   9.038  -5.715
  197   1HB   ASN  28          1HB       ASN  28  -4.010  11.161  -6.923
  198   2HB   ASN  28          2HB       ASN  28  -5.294  10.671  -8.065
  199   1HD2  ASN  28          2HD2      ASN  28  -7.978  11.383  -5.924
  200   2HD2  ASN  28          1HD2      ASN  28  -7.456  10.581  -7.368
  201    H    LYS  29           H        LYS  29  -4.471   6.663  -7.449
  202    HA   LYS  29           HA       LYS  29  -7.387   6.168  -7.139
  203   1HB   LYS  29          2HB       LYS  29  -6.356   5.151  -9.117
  204   2HB   LYS  29          1HB       LYS  29  -5.155   4.334  -8.078
  205   1HG   LYS  29          2HG       LYS  29  -6.912   3.020  -7.020
  206   2HG   LYS  29          1HG       LYS  29  -8.161   3.877  -7.969
  207   1HD   LYS  29          2HD       LYS  29  -6.526   2.954  -9.939
  208   2HD   LYS  29          1HD       LYS  29  -6.247   1.742  -8.719
  209   1HE   LYS  29          1HE       LYS  29  -8.325   0.898  -8.797
  210   2HE   LYS  29          2HE       LYS  29  -9.074   2.455  -9.244
  211   1HZ   LYS  29          2HZ       LYS  29  -7.970   2.184 -11.315
  212   2HZ   LYS  29          3HZ       LYS  29  -7.606   0.634 -10.867
  213   3HZ   LYS  29          1HZ       LYS  29  -9.154   1.113 -11.008
  214    H    THR  30           H        THR  30  -8.010   4.418  -5.728
  215    HA   THR  30           HA       THR  30  -6.261   4.227  -3.368
  216    HB   THR  30           HB       THR  30  -9.149   3.236  -3.581
  217    HG1  THR  30           HG1      THR  30  -9.156   5.003  -4.298
  218   1HG2  THR  30          1HG2      THR  30  -7.359   4.048  -1.295
  219   2HG2  THR  30          3HG2      THR  30  -9.135   4.034  -1.143
  220   3HG2  THR  30          2HG2      THR  30  -8.261   2.529  -1.533
  221    OH   TYR  31           OH       TYR  31  -3.081  -0.283  -8.690
  222    H    TYR  31           H        TYR  31  -5.705   2.325  -2.364
  223    HA   TYR  31           HA       TYR  31  -6.324  -0.190  -3.827
  224   1HB   TYR  31          1HB       TYR  31  -3.700   0.728  -2.659
  225   2HB   TYR  31          2HB       TYR  31  -4.120  -1.008  -2.657
  226    HD1  TYR  31           HD2      TYR  31  -4.739  -2.056  -4.915
  227    HD2  TYR  31           HD1      TYR  31  -2.886   1.761  -4.643
  228    HE1  TYR  31           HE2      TYR  31  -4.214  -2.151  -7.311
  229    HE2  TYR  31           HE1      TYR  31  -2.344   1.676  -7.040
  230    HH   TYR  31           HH       TYR  31  -2.120   0.212  -8.813
  231    H    GLY  32           H        GLY  32  -6.706  -1.993  -2.503
  232   1HA   GLY  32          2HA       GLY  32  -8.584  -1.198  -0.463
  233   2HA   GLY  32          1HA       GLY  32  -8.176  -2.868  -0.938
  234    H    ASN  33           H        ASN  33  -5.390  -2.786  -0.483
  235    HA   ASN  33           HA       ASN  33  -4.814  -1.653   2.147
  236   1HB   ASN  33          2HB       ASN  33  -4.393  -3.794   3.214
  237   2HB   ASN  33          1HB       ASN  33  -6.108  -3.571   2.768
  238   1HD2  ASN  33          2HD2      ASN  33  -4.670  -7.022   1.915
  239   2HD2  ASN  33          1HD2      ASN  33  -4.809  -6.078   3.363
  240    H    LYS  34           H        LYS  34  -2.692  -3.443   2.729
  241    HA   LYS  34           HA       LYS  34  -0.799  -1.914   1.132
  242   1HB   LYS  34          1HB       LYS  34   0.838  -2.678   2.830
  243   2HB   LYS  34          2HB       LYS  34  -0.579  -1.837   3.520
  244   1HG   LYS  34          2HG       LYS  34  -0.643  -3.557   4.971
  245   2HG   LYS  34          1HG       LYS  34  -1.373  -4.474   3.622
  246   1HD   LYS  34          1HD       LYS  34   0.443  -5.656   4.762
  247   2HD   LYS  34          2HD       LYS  34   0.723  -5.436   3.055
  248   1HE   LYS  34          1HE       LYS  34   2.678  -4.531   3.503
  249   2HE   LYS  34          2HE       LYS  34   1.860  -3.195   4.358
  250   1HZ   LYS  34          1HZ       LYS  34   2.420  -5.730   5.541
  251   2HZ   LYS  34          2HZ       LYS  34   3.460  -4.481   5.558
  252   3HZ   LYS  34          3HZ       LYS  34   1.965  -4.341   6.253
  253    H    CYS  35           H        CYS  35  -1.839  -5.216   1.386
  254    HA   CYS  35           HA       CYS  35   0.262  -6.440  -0.128
  255   1HB   CYS  35          2HB       CYS  35  -1.647  -7.585   1.079
  256   2HB   CYS  35          1HB       CYS  35  -2.676  -7.112  -0.304
  257    H    ASN  36           H        ASN  36  -2.855  -4.966  -1.108
  258    HA   ASN  36           HA       ASN  36  -2.124  -5.253  -3.853
  259   1HB   ASN  36          2HB       ASN  36  -4.553  -4.200  -2.441
  260   2HB   ASN  36          1HB       ASN  36  -4.363  -4.066  -4.213
  261   1HD2  ASN  36          2HD2      ASN  36  -5.011  -7.706  -2.383
  262   2HD2  ASN  36          1HD2      ASN  36  -4.798  -6.243  -1.479
  263    H    PHE  37           H        PHE  37  -1.850  -2.686  -1.564
  264    HA   PHE  37           HA       PHE  37  -1.328  -0.572  -3.469
  265   1HB   PHE  37          1HB       PHE  37  -1.787   0.091  -1.205
  266   2HB   PHE  37          2HB       PHE  37  -0.473  -0.924  -0.558
  267    HD1  PHE  37           HD1      PHE  37  -1.168   1.903  -2.820
  268    HD2  PHE  37           HD2      PHE  37   1.624   0.176  -0.109
  269    HE1  PHE  37           HE1      PHE  37   0.414   3.708  -3.336
  270    HE2  PHE  37           HE2      PHE  37   3.216   2.015  -0.566
  271    HZ   PHE  37           HZ       PHE  37   2.589   3.790  -2.177
  272    H    CYS  38           H        CYS  38   0.830  -2.675  -1.504
  273    HA   CYS  38           HA       CYS  38   3.090  -1.599  -2.829
  274   1HB   CYS  38          2HB       CYS  38   2.675  -3.764  -0.783
  275   2HB   CYS  38          1HB       CYS  38   4.277  -3.525  -1.537
  276    H    ASN  39           H        ASN  39   1.117  -4.357  -3.506
  277    HA   ASN  39           HA       ASN  39   2.868  -5.608  -5.404
  278   1HB   ASN  39          2HB       ASN  39  -0.126  -5.571  -5.092
  279   2HB   ASN  39          1HB       ASN  39   0.702  -6.397  -6.444
  280   1HD2  ASN  39          2HD2      ASN  39   0.026  -8.661  -3.447
  281   2HD2  ASN  39          1HD2      ASN  39  -0.962  -7.623  -4.422
  282    H    ALA  40           H        ALA  40   0.269  -3.173  -5.781
  283    HA   ALA  40           HA       ALA  40   0.621  -2.939  -8.603
  284   1HB   ALA  40          2HB       ALA  40  -1.357  -2.251  -7.069
  285   2HB   ALA  40          1HB       ALA  40  -0.465  -0.720  -6.889
  286   3HB   ALA  40          3HB       ALA  40  -0.973  -1.271  -8.506
  287    H    VAL  41           H        VAL  41   2.337  -1.612  -5.897
  288    HA   VAL  41           HA       VAL  41   3.750   0.338  -7.450
  289    HB   VAL  41           HB       VAL  41   4.393  -0.951  -4.789
  290   1HG1  VAL  41          2HG1      VAL  41   5.801   1.157  -6.346
  291   2HG1  VAL  41          1HG1      VAL  41   5.622   1.411  -4.593
  292   3HG1  VAL  41          3HG1      VAL  41   6.433  -0.051  -5.202
  293   1HG2  VAL  41          1HG2      VAL  41   2.231   0.502  -5.240
  294   2HG2  VAL  41          3HG2      VAL  41   3.174   0.657  -3.737
  295   3HG2  VAL  41          2HG2      VAL  41   3.385   1.844  -5.046
  296    H    VAL  42           H        VAL  42   4.873  -2.771  -6.052
  297    HA   VAL  42           HA       VAL  42   7.284  -2.734  -7.479
  298    HB   VAL  42           HB       VAL  42   7.039  -3.921  -5.439
  299   1HG1  VAL  42          3HG1      VAL  42   4.668  -5.033  -6.598
  300   2HG1  VAL  42          2HG1      VAL  42   5.748  -6.353  -6.092
  301   3HG1  VAL  42          1HG1      VAL  42   5.248  -5.111  -4.917
  302   1HG2  VAL  42          1HG2      VAL  42   7.698  -5.698  -7.788
  303   2HG2  VAL  42          3HG2      VAL  42   8.803  -4.748  -6.767
  304   3HG2  VAL  42          2HG2      VAL  42   7.978  -6.176  -6.096
  305    H    GLU  43           H        GLU  43   4.143  -3.573  -8.568
  306    HA   GLU  43           HA       GLU  43   5.072  -5.100 -10.887
  307   1HB   GLU  43          1HB       GLU  43   2.430  -3.724 -10.447
  308   2HB   GLU  43          2HB       GLU  43   2.812  -4.904 -11.566
  309   1HG   GLU  43          1HG       GLU  43   3.258  -6.108  -9.071
  310   2HG   GLU  43          2HG       GLU  43   1.716  -5.206  -9.082
  311    H    SER  44           H        SER  44   4.352  -1.773 -10.003
  312    HA   SER  44           HA       SER  44   4.220  -0.959 -12.812
  313   1HB   SER  44          2HB       SER  44   3.327   1.070 -12.077
  314   2HB   SER  44          1HB       SER  44   2.602  -0.178 -11.025
  315    HG   SER  44           HG       SER  44   4.024   0.273  -9.372
  316    H    ASN  45           H        ASN  45   6.781  -1.804 -11.446
  317    HA   ASN  45           HA       ASN  45   8.958  -1.338 -11.803
  318   1HB   ASN  45          1HB       ASN  45   8.071   0.824 -13.694
  319   2HB   ASN  45          2HB       ASN  45   9.533  -0.203 -13.749
  320   1HD2  ASN  45          2HD2      ASN  45   8.039  -2.861 -15.456
  321   2HD2  ASN  45          1HD2      ASN  45   9.384  -2.343 -14.493
  322    H    GLY  46           H        GLY  46   8.111  -0.358  -9.491
  323   1HA   GLY  46          1HA       GLY  46   8.776   1.058  -7.796
  324   2HA   GLY  46          2HA       GLY  46  10.193   1.324  -8.846
  325    H    THR  47           H        THR  47   6.853   2.177  -9.667
  326    HA   THR  47           HA       THR  47   7.788   4.998  -9.909
  327    HB   THR  47           HB       THR  47   7.258   3.768 -12.104
  328    HG1  THR  47           HG1      THR  47   6.612   5.390 -12.859
  329   1HG2  THR  47          3HG2      THR  47   5.132   2.665 -11.218
  330   2HG2  THR  47          1HG2      THR  47   4.362   4.260 -11.417
  331   3HG2  THR  47          2HG2      THR  47   5.053   3.422 -12.829
  332    H    LEU  48           H        LEU  48   4.935   2.935  -9.255
  333    HA   LEU  48           HA       LEU  48   3.252   5.161  -8.435
  334   1HB   LEU  48          1HB       LEU  48   2.154   3.321  -9.343
  335   2HB   LEU  48          2HB       LEU  48   3.112   2.151  -8.390
  336    HG   LEU  48           HG       LEU  48   1.886   3.218  -6.356
  337   1HD1  LEU  48          2HD1      LEU  48   0.172   4.020  -8.715
  338   2HD1  LEU  48          3HD1      LEU  48  -0.497   3.791  -7.080
  339   3HD1  LEU  48          1HD1      LEU  48   0.750   5.031  -7.367
  340   1HD2  LEU  48          2HD2      LEU  48   0.661   1.365  -8.419
  341   2HD2  LEU  48          1HD2      LEU  48   1.637   0.928  -6.994
  342   3HD2  LEU  48          3HD2      LEU  48  -0.001   1.595  -6.780
  343    H    THR  49           H        THR  49   3.044   6.024  -6.485
  344    HA   THR  49           HA       THR  49   4.249   4.693  -4.122
  345    HB   THR  49           HB       THR  49   5.635   6.628  -3.607
  346    HG1  THR  49           HG1      THR  49   5.670   8.259  -4.719
  347   1HG2  THR  49          2HG2      THR  49   6.397   4.966  -5.482
  348   2HG2  THR  49          3HG2      THR  49   6.199   6.386  -6.541
  349   3HG2  THR  49          1HG2      THR  49   7.327   6.452  -5.162
  350    H    LEU  50           H        LEU  50   3.744   5.770  -2.109
  351    HA   LEU  50           HA       LEU  50   0.944   6.486  -2.278
  352   1HB   LEU  50          1HB       LEU  50   0.902   4.926  -0.760
  353   2HB   LEU  50          2HB       LEU  50   2.680   4.879  -0.715
  354    HG   LEU  50           HG       LEU  50   1.284   6.911   0.993
  355   1HD1  LEU  50          1HD1      LEU  50   0.037   4.695   1.143
  356   2HD1  LEU  50          3HD1      LEU  50   1.540   4.018   1.820
  357   3HD1  LEU  50          2HD1      LEU  50   0.707   5.353   2.658
  358   1HD2  LEU  50          1HD2      LEU  50   3.768   6.648   0.798
  359   2HD2  LEU  50          3HD2      LEU  50   3.131   6.435   2.447
  360   3HD2  LEU  50          2HD2      LEU  50   3.597   5.012   1.482
  361    H    SER  51           H        SER  51  -0.017   8.305  -1.750
  362    HA   SER  51           HA       SER  51   1.610  10.650  -0.991
  363   1HB   SER  51          2HB       SER  51  -0.167  10.850  -2.719
  364   2HB   SER  51          1HB       SER  51  -1.379  10.468  -1.463
  365    HG   SER  51           HG       SER  51  -0.742  12.787  -2.158
  366    H    HIS  52           H        HIS  52  -0.882   8.448   0.234
  367    HA   HIS  52           HA       HIS  52   0.125   8.761   2.957
  368   1HB   HIS  52          2HB       HIS  52  -2.016   9.536   3.912
  369   2HB   HIS  52          1HB       HIS  52  -1.279  10.769   2.846
  370    HD1  HIS  52           HD1      HIS  52  -4.491   9.210   3.489
  371    HD2  HIS  52           HD2      HIS  52  -2.444  10.411   0.066
  372    HE1  HIS  52           HE1      HIS  52  -6.107   8.990   1.582
  373    HE2  HIS  52           HE2      HIS  52  -4.925   9.890  -0.456
  374    H    PHE  53           H        PHE  53  -0.850   7.315   4.431
  375    HA   PHE  53           HA       PHE  53  -1.921   4.860   3.474
  376   1HB   PHE  53          1HB       PHE  53  -2.043   6.152   6.227
  377   2HB   PHE  53          2HB       PHE  53  -2.737   4.546   5.858
  378    HD1  PHE  53           HD2      PHE  53   0.539   6.070   4.703
  379    HD2  PHE  53           HD1      PHE  53  -1.478   3.072   6.968
  380    HE1  PHE  53           HE2      PHE  53   2.719   5.207   5.517
  381    HE2  PHE  53           HE1      PHE  53   0.661   1.929   7.371
  382    HZ   PHE  53           HZ       PHE  53   2.768   3.057   6.755
  383    H    GLY  54           H        GLY  54  -4.147   4.221   4.754
  384   1HA   GLY  54          1HA       GLY  54  -6.449   4.410   4.852
  385   2HA   GLY  54          2HA       GLY  54  -6.258   6.183   4.838
  386    H    LYS  55           H        LYS  55  -8.290   5.708   3.483
  387    HA   LYS  55           HA       LYS  55  -7.655   5.030   0.656
  388   1HB   LYS  55          2HB       LYS  55 -10.128   5.305   0.326
  389   2HB   LYS  55          1HB       LYS  55  -9.638   3.930   1.357
  390   1HG   LYS  55          1HG       LYS  55 -10.983   4.662   2.980
  391   2HG   LYS  55          2HG       LYS  55 -10.073   6.200   3.049
  392   1HD   LYS  55          2HD       LYS  55 -11.744   7.322   2.180
  393   2HD   LYS  55          1HD       LYS  55 -11.751   6.289   0.778
  394   1HE   LYS  55          1HE       LYS  55 -13.919   6.325   1.780
  395   2HE   LYS  55          2HE       LYS  55 -13.209   4.691   1.880
  396   1HZ   LYS  55          3HZ       LYS  55 -13.103   6.638   3.962
  397   2HZ   LYS  55          1HZ       LYS  55 -14.267   5.509   3.824
  398   3HZ   LYS  55          2HZ       LYS  55 -12.726   5.029   4.018
  399    H    CYS  56           H        CYS  56  -8.275   6.490  -0.993
  400    HA   CYS  56           HA       CYS  56  -7.071   8.918  -0.354
  401   1HB   CYS  56          1HB       CYS  56  -7.574   7.377  -2.639
  402   2HB   CYS  56          2HB       CYS  56  -8.414   8.916  -2.966
   
  Start of MODEL           3
 Raw file had 402 H/Q atoms
  Start of MODEL    3
    1   1H    LEU   1          1H        LEU   1  10.505  12.691   9.016
    2   2H    LEU   1          3H        LEU   1   9.058  12.044   9.411
    3   3H    LEU   1          2H        LEU   1  10.435  11.254   9.789
    4    HA   LEU   1           HA       LEU   1  10.869  10.564   7.711
    5   1HB   LEU   1          1HB       LEU   1   8.039  10.561   8.577
    6   2HB   LEU   1          2HB       LEU   1   8.316  10.149   6.861
    7    HG   LEU   1           HG       LEU   1   9.643   8.259   7.452
    8   1HD1  LEU   1          1HD1      LEU   1  10.744   9.315   9.437
    9   2HD1  LEU   1          3HD1      LEU   1   9.246   9.030  10.359
   10   3HD1  LEU   1          2HD1      LEU   1  10.175   7.650   9.721
   11   1HD2  LEU   1          1HD2      LEU   1   7.162   8.491   9.186
   12   2HD2  LEU   1          2HD2      LEU   1   7.221   7.992   7.476
   13   3HD2  LEU   1          3HD2      LEU   1   7.964   6.967   8.730
   14    H    ALA   2           H        ALA   2  10.909  10.903   5.487
   15    HA   ALA   2           HA       ALA   2  10.220  13.632   4.572
   16   1HB   ALA   2          1HB       ALA   2  11.711  11.321   3.311
   17   2HB   ALA   2          2HB       ALA   2  11.275  12.813   2.441
   18   3HB   ALA   2          3HB       ALA   2  12.357  12.890   3.854
   19    H    ALA   3           H        ALA   3   9.510  10.195   3.912
   20    HA   ALA   3           HA       ALA   3   7.135  11.071   2.334
   21   1HB   ALA   3          2HB       ALA   3   9.078  10.140   1.051
   22   2HB   ALA   3          1HB       ALA   3   8.826   8.597   1.907
   23   3HB   ALA   3          3HB       ALA   3   7.545   9.251   0.854
   24    H    VAL   4           H        VAL   4   5.267   9.892   2.472
   25    HA   VAL   4           HA       VAL   4   4.954   7.995   4.702
   26    HB   VAL   4           HB       VAL   4   3.220   9.705   4.107
   27   1HG1  VAL   4          1HG1      VAL   4   2.907   7.967   1.658
   28   2HG1  VAL   4          3HG1      VAL   4   1.604   9.008   2.279
   29   3HG1  VAL   4          2HG1      VAL   4   3.144   9.728   1.753
   30   1HG2  VAL   4          1HG2      VAL   4   2.432   6.785   4.135
   31   2HG2  VAL   4          2HG2      VAL   4   2.648   7.870   5.529
   32   3HG2  VAL   4          3HG2      VAL   4   1.307   8.141   4.391
   33    H    SER   5           H        SER   5   5.399   5.955   4.511
   34    HA   SER   5           HA       SER   5   5.109   4.517   1.970
   35   1HB   SER   5          2HB       SER   5   7.837   4.945   3.222
   36   2HB   SER   5          1HB       SER   5   7.457   3.857   1.857
   37    HG   SER   5           HG       SER   5   8.301   6.305   1.769
   38    H    VAL   6           H        VAL   6   3.803   3.067   2.858
   39    HA   VAL   6           HA       VAL   6   4.559   1.294   5.020
   40    HB   VAL   6           HB       VAL   6   2.724   1.020   2.634
   41   1HG1  VAL   6          2HG1      VAL   6   3.281  -0.937   4.863
   42   2HG1  VAL   6          3HG1      VAL   6   1.745  -0.930   3.962
   43   3HG1  VAL   6          1HG1      VAL   6   3.279  -1.209   3.105
   44   1HG2  VAL   6          1HG2      VAL   6   2.026   2.674   4.297
   45   2HG2  VAL   6          3HG2      VAL   6   0.920   1.281   4.235
   46   3HG2  VAL   6          2HG2      VAL   6   2.092   1.427   5.566
   47    H    ASP   7           H        ASP   7   5.553  -0.715   4.835
   48    HA   ASP   7           HA       ASP   7   7.787  -0.597   2.955
   49   1HB   ASP   7          2HB       ASP   7   8.514  -2.685   4.205
   50   2HB   ASP   7          1HB       ASP   7   8.519  -1.120   5.068
   51    H    CYS   8           H        CYS   8   8.213  -1.937   1.318
   52    HA   CYS   8           HA       CYS   8   5.911  -3.611   0.441
   53   1HB   CYS   8          2HB       CYS   8   7.451  -1.593  -1.211
   54   2HB   CYS   8          1HB       CYS   8   6.076  -2.601  -1.740
   55    H    SER   9           H        SER   9   8.375  -4.565   1.584
   56    HA   SER   9           HA       SER   9  10.257  -5.213  -0.580
   57   1HB   SER   9          2HB       SER   9  10.585  -4.910   2.107
   58   2HB   SER   9          1HB       SER   9  10.474  -6.688   1.959
   59    HG   SER   9           HG       SER   9  11.973  -6.480   0.107
   60    H    GLU  10           H        GLU  10   7.394  -6.473   0.874
   61    HA   GLU  10           HA       GLU  10   8.120  -9.222   0.818
   62   1HB   GLU  10          1HB       GLU  10   5.369  -7.994   0.945
   63   2HB   GLU  10          2HB       GLU  10   5.812  -9.547   1.377
   64   1HG   GLU  10          2HG       GLU  10   5.360  -7.698   3.077
   65   2HG   GLU  10          1HG       GLU  10   6.432  -9.083   3.424
   66    OH   TYR  11           OH       TYR  11   2.229  -5.945   1.664
   67    H    TYR  11           H        TYR  11   6.786  -7.144  -1.608
   68    HA   TYR  11           HA       TYR  11   5.007  -9.149  -2.654
   69   1HB   TYR  11          1HB       TYR  11   5.562  -6.263  -3.446
   70   2HB   TYR  11          2HB       TYR  11   4.213  -7.254  -4.071
   71    HD1  TYR  11           HD1      TYR  11   2.558  -8.191  -2.265
   72    HD2  TYR  11           HD2      TYR  11   5.331  -5.074  -1.461
   73    HE1  TYR  11           HE1      TYR  11   1.488  -7.812  -0.085
   74    HE2  TYR  11           HE2      TYR  11   4.274  -4.682   0.720
   75    HH   TYR  11           HH       TYR  11   2.213  -6.911   2.165
   76    HA   PRO  12           HA       PRO  12   3.762  -8.867  -4.486
   77   1HB   PRO  12          1HB       PRO  12   3.317  -9.556  -7.137
   78   2HB   PRO  12          2HB       PRO  12   3.712  -7.902  -6.596
   79   1HG   PRO  12          2HG       PRO  12   5.280  -9.619  -8.272
   80   2HG   PRO  12          1HG       PRO  12   5.720  -8.006  -7.643
   81   1HD   PRO  12          1HD       PRO  12   6.502 -10.729  -6.613
   82   2HD   PRO  12          2HD       PRO  12   7.398  -9.186  -6.539
   83    H    LYS  13           H        LYS  13   1.993 -10.278  -4.642
   84    HA   LYS  13           HA       LYS  13   3.004 -12.869  -3.555
   85   1HB   LYS  13          1HB       LYS  13   0.814 -11.031  -2.537
   86   2HB   LYS  13          2HB       LYS  13   1.146 -12.672  -1.915
   87   1HG   LYS  13          2HG       LYS  13   3.290 -12.011  -1.077
   88   2HG   LYS  13          1HG       LYS  13   3.205 -10.438  -1.920
   89   1HD   LYS  13          1HD       LYS  13   2.809 -10.137   0.412
   90   2HD   LYS  13          2HD       LYS  13   1.349  -9.777  -0.469
   91   1HE   LYS  13          2HE       LYS  13   0.197 -11.334   0.633
   92   2HE   LYS  13          1HE       LYS  13   1.448 -12.562   0.298
   93   1HZ   LYS  13          3HZ       LYS  13   1.724 -10.536   2.276
   94   2HZ   LYS  13          1HZ       LYS  13   1.023 -11.973   2.574
   95   3HZ   LYS  13          2HZ       LYS  13   2.570 -11.943   2.076
   96    HA   PRO  14           HA       PRO  14  -0.666 -14.561  -5.779
   97   1HB   PRO  14          1HB       PRO  14  -0.555 -16.997  -4.444
   98   2HB   PRO  14          2HB       PRO  14   0.562 -16.508  -5.747
   99   1HG   PRO  14          2HG       PRO  14   1.174 -16.990  -2.977
  100   2HG   PRO  14          1HG       PRO  14   2.283 -16.459  -4.272
  101   1HD   PRO  14          2HD       PRO  14   0.933 -14.828  -2.145
  102   2HD   PRO  14          1HD       PRO  14   2.451 -14.511  -3.026
  103    H    ALA  15           H        ALA  15  -0.736 -13.955  -2.390
  104    HA   ALA  15           HA       ALA  15  -3.645 -13.753  -2.566
  105   1HB   ALA  15          2HB       ALA  15  -2.718 -16.160  -1.715
  106   2HB   ALA  15          1HB       ALA  15  -2.811 -15.267  -0.176
  107   3HB   ALA  15          3HB       ALA  15  -4.257 -15.421  -1.204
  108    H    CYS  16           H        CYS  16  -4.552 -12.661  -0.718
  109    HA   CYS  16           HA       CYS  16  -2.530 -10.831   0.480
  110   1HB   CYS  16          2HB       CYS  16  -5.093 -10.243  -1.002
  111   2HB   CYS  16          1HB       CYS  16  -4.300  -9.059   0.075
  112    H    THR  17           H        THR  17  -3.111  -9.710   2.365
  113    HA   THR  17           HA       THR  17  -4.882 -11.259   4.161
  114    HB   THR  17           HB       THR  17  -4.034  -9.142   5.685
  115    HG1  THR  17           HG1      THR  17  -2.065  -9.883   3.940
  116   1HG2  THR  17          2HG2      THR  17  -3.011 -11.898   5.321
  117   2HG2  THR  17          1HG2      THR  17  -1.969 -10.769   6.224
  118   3HG2  THR  17          3HG2      THR  17  -3.642 -11.063   6.763
  119    H    LEU  18           H        LEU  18  -6.629 -10.310   5.201
  120    HA   LEU  18           HA       LEU  18  -7.911  -8.324   3.396
  121   1HB   LEU  18          2HB       LEU  18  -9.937  -9.844   4.025
  122   2HB   LEU  18          1HB       LEU  18  -8.741 -10.350   2.797
  123    HG   LEU  18           HG       LEU  18  -8.247 -11.264   5.576
  124   1HD1  LEU  18          1HD2      LEU  18 -10.816 -11.398   4.817
  125   2HD1  LEU  18          3HD2      LEU  18 -10.209 -12.855   3.992
  126   3HD1  LEU  18          2HD2      LEU  18 -10.018 -12.685   5.755
  127   1HD2  LEU  18          1HD1      LEU  18  -7.176 -11.786   3.131
  128   2HD2  LEU  18          3HD1      LEU  18  -7.104 -12.897   4.522
  129   3HD2  LEU  18          2HD1      LEU  18  -8.353 -13.116   3.271
  130    H    GLU  19           H        GLU  19  -6.677  -8.022   6.209
  131    HA   GLU  19           HA       GLU  19  -8.969  -6.700   7.561
  132   1HB   GLU  19          1HB       GLU  19  -7.554  -6.352   9.283
  133   2HB   GLU  19          2HB       GLU  19  -7.106  -7.849   8.687
  134   1HG   GLU  19          2HG       GLU  19  -5.508  -5.732   7.639
  135   2HG   GLU  19          1HG       GLU  19  -5.358  -5.985   9.400
  136    OH   TYR  20           OH       TYR  20 -11.804   0.734   1.293
  137    H    TYR  20           H        TYR  20  -9.544  -4.719   7.013
  138    HA   TYR  20           HA       TYR  20  -8.297  -3.753   4.588
  139   1HB   TYR  20          1HB       TYR  20 -10.687  -4.087   4.638
  140   2HB   TYR  20          2HB       TYR  20 -10.865  -2.967   6.021
  141    HD1  TYR  20           HD2      TYR  20  -9.778  -3.098   2.454
  142    HD2  TYR  20           HD1      TYR  20 -11.487  -0.758   5.567
  143    HE1  TYR  20           HE2      TYR  20 -10.384  -1.373   0.815
  144    HE2  TYR  20           HE1      TYR  20 -12.145   0.952   3.928
  145    HH   TYR  20           HH       TYR  20 -11.286   1.660   1.536
  146    NH1  ARG  21           NH1      ARG  21  -7.251   0.527   9.960
  147    NH2  ARG  21           NH2      ARG  21  -6.703   2.584   9.099
  148    H    ARG  21           H        ARG  21  -6.877  -2.213   4.449
  149    HA   ARG  21           HA       ARG  21  -7.214   0.177   6.075
  150   1HB   ARG  21          1HB       ARG  21  -4.449  -1.050   5.858
  151   2HB   ARG  21          2HB       ARG  21  -4.912   0.467   6.680
  152   1HG   ARG  21          1HG       ARG  21  -6.492  -1.474   7.903
  153   2HG   ARG  21          2HG       ARG  21  -4.918  -2.283   7.660
  154   1HD   ARG  21          1HD       ARG  21  -5.244  -1.018   9.824
  155   2HD   ARG  21          2HD       ARG  21  -3.770  -0.659   8.883
  156    HE   ARG  21           HE       ARG  21  -4.553   1.493   8.516
  157   1HH1  ARG  21          2HH1      ARG  21  -7.025  -0.432  10.134
  158   2HH1  ARG  21          1HH1      ARG  21  -8.120   0.902  10.284
  159   1HH2  ARG  21          2HH2      ARG  21  -6.062   3.181   8.617
  160   2HH2  ARG  21          1HH2      ARG  21  -7.575   2.947   9.428
  161    HA   PRO  22           HA       PRO  22  -6.689   0.812   1.429
  162   1HB   PRO  22          1HB       PRO  22  -7.963   3.353   2.017
  163   2HB   PRO  22          2HB       PRO  22  -8.649   1.947   1.153
  164   1HG   PRO  22          2HG       PRO  22  -8.956   2.764   4.006
  165   2HG   PRO  22          1HG       PRO  22 -10.049   1.805   2.969
  166   1HD   PRO  22          2HD       PRO  22  -8.631   0.595   4.941
  167   2HD   PRO  22          1HD       PRO  22  -8.797  -0.218   3.355
  168    H    LEU  23           H        LEU  23  -5.166   1.599   0.347
  169    HA   LEU  23           HA       LEU  23  -3.775   3.994   1.445
  170   1HB   LEU  23          1HB       LEU  23  -2.532   1.479   0.298
  171   2HB   LEU  23          2HB       LEU  23  -1.660   2.959   0.780
  172    HG   LEU  23           HG       LEU  23  -3.153   2.187   3.036
  173   1HD1  LEU  23          3HD1      LEU  23  -3.308  -0.032   1.701
  174   2HD1  LEU  23          1HD1      LEU  23  -1.587  -0.217   2.123
  175   3HD1  LEU  23          2HD1      LEU  23  -2.810  -0.074   3.411
  176   1HD2  LEU  23          1HD2      LEU  23  -0.910   3.210   2.949
  177   2HD2  LEU  23          2HD2      LEU  23  -0.947   1.769   3.995
  178   3HD2  LEU  23          3HD2      LEU  23  -0.234   1.669   2.365
  179    H    CYS  24           H        CYS  24  -3.689   5.594   0.052
  180    HA   CYS  24           HA       CYS  24  -4.561   5.026  -2.736
  181   1HB   CYS  24          2HB       CYS  24  -5.820   6.664  -1.161
  182   2HB   CYS  24          1HB       CYS  24  -4.466   7.770  -1.521
  183    H    GLY  25           H        GLY  25  -3.339   5.587  -4.432
  184   1HA   GLY  25          2HA       GLY  25  -0.485   6.017  -3.796
  185   2HA   GLY  25          1HA       GLY  25  -1.155   5.388  -5.325
  186    H    SER  26           H        SER  26   0.634   7.128  -5.847
  187    HA   SER  26           HA       SER  26  -0.364   9.808  -6.179
  188   1HB   SER  26          2HB       SER  26   2.028   8.363  -6.804
  189   2HB   SER  26          1HB       SER  26   1.460   9.227  -8.263
  190    HG   SER  26           HG       SER  26   2.061  10.161  -5.582
  191    H    ASP  27           H        ASP  27  -0.925   6.784  -7.767
  192    HA   ASP  27           HA       ASP  27  -1.882   7.658 -10.212
  193   1HB   ASP  27          2HB       ASP  27  -3.352   5.626 -10.167
  194   2HB   ASP  27          1HB       ASP  27  -1.597   5.379  -9.933
  195    H    ASN  28           H        ASN  28  -3.232   8.192  -7.095
  196    HA   ASN  28           HA       ASN  28  -5.096   9.270  -6.378
  197   1HB   ASN  28          2HB       ASN  28  -5.934   9.874  -9.196
  198   2HB   ASN  28          1HB       ASN  28  -6.310  10.738  -7.677
  199   1HD2  ASN  28          2HD2      ASN  28  -3.553  12.854  -7.805
  200   2HD2  ASN  28          1HD2      ASN  28  -4.981  12.340  -6.968
  201    H    LYS  29           H        LYS  29  -4.863   6.413  -7.440
  202    HA   LYS  29           HA       LYS  29  -7.749   5.892  -6.904
  203   1HB   LYS  29          1HB       LYS  29  -5.929   5.004  -8.977
  204   2HB   LYS  29          2HB       LYS  29  -6.570   3.611  -8.064
  205   1HG   LYS  29          1HG       LYS  29  -8.456   3.738  -9.243
  206   2HG   LYS  29          2HG       LYS  29  -8.754   5.364  -8.560
  207   1HD   LYS  29          2HD       LYS  29  -8.798   5.884 -10.756
  208   2HD   LYS  29          1HD       LYS  29  -7.120   6.165 -10.381
  209   1HE   LYS  29          2HE       LYS  29  -6.498   3.985 -11.265
  210   2HE   LYS  29          1HE       LYS  29  -8.215   3.652 -11.619
  211   1HZ   LYS  29          1HZ       LYS  29  -8.158   5.589 -12.949
  212   2HZ   LYS  29          2HZ       LYS  29  -6.552   5.693 -12.718
  213   3HZ   LYS  29          3HZ       LYS  29  -7.210   4.374 -13.468
  214    H    THR  30           H        THR  30  -8.197   3.814  -5.872
  215    HA   THR  30           HA       THR  30  -6.494   3.747  -3.488
  216    HB   THR  30           HB       THR  30  -9.213   2.382  -3.743
  217    HG1  THR  30           HG1      THR  30 -10.130   4.035  -3.511
  218   1HG2  THR  30          2HG2      THR  30  -7.647   3.615  -1.483
  219   2HG2  THR  30          3HG2      THR  30  -9.405   3.353  -1.372
  220   3HG2  THR  30          1HG2      THR  30  -8.313   1.968  -1.625
  221    OH   TYR  31           OH       TYR  31  -2.818   0.292  -9.089
  222    H    TYR  31           H        TYR  31  -5.501   2.025  -2.651
  223    HA   TYR  31           HA       TYR  31  -6.001  -0.625  -3.895
  224   1HB   TYR  31          1HB       TYR  31  -3.336   0.515  -2.986
  225   2HB   TYR  31          2HB       TYR  31  -3.636  -1.230  -3.217
  226    HD1  TYR  31           HD2      TYR  31  -4.582  -1.882  -5.582
  227    HD2  TYR  31           HD1      TYR  31  -2.466   1.723  -4.797
  228    HE1  TYR  31           HE2      TYR  31  -4.098  -1.655  -7.976
  229    HE2  TYR  31           HE1      TYR  31  -1.955   1.951  -7.189
  230    HH   TYR  31           HH       TYR  31  -2.431  -0.687  -9.367
  231    H    GLY  32           H        GLY  32  -6.904  -1.931  -2.488
  232   1HA   GLY  32          1HA       GLY  32  -8.032  -0.756  -0.343
  233   2HA   GLY  32          2HA       GLY  32  -8.028  -2.527  -0.565
  234    H    ASN  33           H        ASN  33  -5.140  -2.805  -0.286
  235    HA   ASN  33           HA       ASN  33  -4.525  -1.792   2.404
  236   1HB   ASN  33          2HB       ASN  33  -4.158  -3.988   3.346
  237   2HB   ASN  33          1HB       ASN  33  -5.863  -3.722   2.881
  238   1HD2  ASN  33          2HD2      ASN  33  -4.246  -7.098   1.819
  239   2HD2  ASN  33          1HD2      ASN  33  -4.293  -6.234   3.322
  240    H    LYS  34           H        LYS  34  -2.391  -3.147   3.106
  241    HA   LYS  34           HA       LYS  34  -0.387  -1.895   1.581
  242   1HB   LYS  34          1HB       LYS  34   1.177  -3.434   2.860
  243   2HB   LYS  34          2HB       LYS  34   0.112  -2.371   3.825
  244   1HG   LYS  34          2HG       LYS  34  -1.388  -4.227   4.296
  245   2HG   LYS  34          1HG       LYS  34  -0.428  -5.309   3.246
  246   1HD   LYS  34          2HD       LYS  34   0.323  -4.058   5.896
  247   2HD   LYS  34          1HD       LYS  34   0.059  -5.744   5.543
  248   1HE   LYS  34          1HE       LYS  34   1.983  -5.604   3.917
  249   2HE   LYS  34          2HE       LYS  34   2.354  -4.020   4.650
  250   1HZ   LYS  34          3HZ       LYS  34   2.447  -5.095   6.687
  251   2HZ   LYS  34          1HZ       LYS  34   2.160  -6.539   5.995
  252   3HZ   LYS  34          2HZ       LYS  34   3.519  -5.737   5.604
  253    H    CYS  35           H        CYS  35  -1.677  -5.190   1.468
  254    HA   CYS  35           HA       CYS  35   0.147  -6.320  -0.270
  255   1HB   CYS  35          2HB       CYS  35  -1.807  -7.419   0.890
  256   2HB   CYS  35          1HB       CYS  35  -2.824  -6.828  -0.457
  257    H    ASN  36           H        ASN  36  -2.975  -4.879  -1.298
  258    HA   ASN  36           HA       ASN  36  -2.173  -5.117  -4.023
  259   1HB   ASN  36          2HB       ASN  36  -4.635  -4.004  -2.703
  260   2HB   ASN  36          1HB       ASN  36  -4.389  -3.987  -4.472
  261   1HD2  ASN  36          2HD2      ASN  36  -5.046  -7.529  -2.446
  262   2HD2  ASN  36          1HD2      ASN  36  -4.768  -6.040  -1.605
  263    H    PHE  37           H        PHE  37  -1.907  -2.593  -1.699
  264    HA   PHE  37           HA       PHE  37  -1.368  -0.454  -3.573
  265   1HB   PHE  37          1HB       PHE  37  -1.853   0.232  -1.343
  266   2HB   PHE  37          2HB       PHE  37  -0.636  -0.859  -0.639
  267    HD1  PHE  37           HD1      PHE  37  -0.890   1.904  -3.089
  268    HD2  PHE  37           HD2      PHE  37   1.379   0.201   0.088
  269    HE1  PHE  37           HE1      PHE  37   0.843   3.606  -3.442
  270    HE2  PHE  37           HE2      PHE  37   3.069   1.989  -0.156
  271    HZ   PHE  37           HZ       PHE  37   2.867   3.599  -2.032
  272    H    CYS  38           H        CYS  38   0.782  -2.526  -1.569
  273    HA   CYS  38           HA       CYS  38   3.050  -1.450  -2.856
  274   1HB   CYS  38          2HB       CYS  38   2.638  -3.674  -0.874
  275   2HB   CYS  38          1HB       CYS  38   4.250  -3.331  -1.567
  276    H    ASN  39           H        ASN  39   1.117  -4.246  -3.568
  277    HA   ASN  39           HA       ASN  39   2.842  -5.473  -5.450
  278   1HB   ASN  39          2HB       ASN  39  -0.160  -5.294  -5.299
  279   2HB   ASN  39          1HB       ASN  39   0.708  -6.182  -6.584
  280   1HD2  ASN  39          2HD2      ASN  39  -0.248  -8.444  -3.709
  281   2HD2  ASN  39          1HD2      ASN  39  -1.132  -7.307  -4.672
  282    H    ALA  40           H        ALA  40   0.447  -2.858  -5.869
  283    HA   ALA  40           HA       ALA  40   0.899  -2.642  -8.678
  284   1HB   ALA  40          3HB       ALA  40  -0.493  -0.971  -6.601
  285   2HB   ALA  40          2HB       ALA  40  -0.281  -0.369  -8.265
  286   3HB   ALA  40          1HB       ALA  40  -1.171  -1.885  -7.972
  287    H    VAL  41           H        VAL  41   2.456  -1.264  -5.877
  288    HA   VAL  41           HA       VAL  41   4.020   0.631  -7.332
  289    HB   VAL  41           HB       VAL  41   4.500  -0.706  -4.660
  290   1HG1  VAL  41          1HG1      VAL  41   5.970   1.480  -6.080
  291   2HG1  VAL  41          2HG1      VAL  41   5.791   1.560  -4.311
  292   3HG1  VAL  41          3HG1      VAL  41   6.584   0.155  -5.061
  293   1HG2  VAL  41          3HG2      VAL  41   2.373   0.716  -5.099
  294   2HG2  VAL  41          1HG2      VAL  41   3.336   0.996  -3.629
  295   3HG2  VAL  41          2HG2      VAL  41   3.492   2.097  -5.018
  296    H    VAL  42           H        VAL  42   4.891  -2.574  -5.981
  297    HA   VAL  42           HA       VAL  42   7.454  -2.536  -7.101
  298    HB   VAL  42           HB       VAL  42   6.952  -3.805  -5.163
  299   1HG1  VAL  42          1HG1      VAL  42   4.644  -4.675  -6.522
  300   2HG1  VAL  42          3HG1      VAL  42   5.619  -6.130  -6.208
  301   3HG1  VAL  42          2HG1      VAL  42   5.156  -5.063  -4.861
  302   1HG2  VAL  42          3HG2      VAL  42   8.711  -4.595  -6.856
  303   2HG2  VAL  42          1HG2      VAL  42   8.220  -5.718  -5.565
  304   3HG2  VAL  42          2HG2      VAL  42   7.578  -5.920  -7.212
  305    H    GLU  43           H        GLU  43   4.428  -3.361  -8.538
  306    HA   GLU  43           HA       GLU  43   5.498  -4.972 -10.743
  307   1HB   GLU  43          1HB       GLU  43   3.272  -5.299 -10.062
  308   2HB   GLU  43          2HB       GLU  43   3.007  -3.656  -9.887
  309   1HG   GLU  43          2HG       GLU  43   2.330  -3.251 -11.843
  310   2HG   GLU  43          1HG       GLU  43   3.375  -4.444 -12.665
  311    H    SER  44           H        SER  44   5.039  -1.617  -9.852
  312    HA   SER  44           HA       SER  44   5.219  -0.736 -12.648
  313   1HB   SER  44          2HB       SER  44   4.430   1.351 -11.936
  314   2HB   SER  44          1HB       SER  44   3.486   0.134 -11.028
  315    HG   SER  44           HG       SER  44   4.154   0.818  -9.222
  316    H    ASN  45           H        ASN  45   7.536  -1.841 -11.075
  317    HA   ASN  45           HA       ASN  45   9.777  -1.491 -10.994
  318   1HB   ASN  45          2HB       ASN  45   8.694  -0.304 -13.434
  319   2HB   ASN  45          1HB       ASN  45  10.324   0.281 -12.992
  320   1HD2  ASN  45          2HD2      ASN  45  11.987  -2.758 -13.619
  321   2HD2  ASN  45          1HD2      ASN  45  12.074  -1.159 -12.961
  322    H    GLY  46           H        GLY  46   8.712  -0.180  -8.951
  323   1HA   GLY  46          1HA       GLY  46   9.058   1.523  -7.427
  324   2HA   GLY  46          2HA       GLY  46  10.636   1.661  -8.247
  325    H    THR  47           H        THR  47   7.460   2.254  -9.718
  326    HA   THR  47           HA       THR  47   8.184   5.109 -10.035
  327    HB   THR  47           HB       THR  47   6.398   5.169 -11.776
  328    HG1  THR  47           HG1      THR  47   5.337   3.645 -12.219
  329   1HG2  THR  47          3HG2      THR  47   8.545   3.083 -12.048
  330   2HG2  THR  47          2HG2      THR  47   7.366   3.351 -13.358
  331   3HG2  THR  47          1HG2      THR  47   8.413   4.687 -12.815
  332    H    LEU  48           H        LEU  48   5.421   3.036  -9.091
  333    HA   LEU  48           HA       LEU  48   3.768   5.346  -8.366
  334   1HB   LEU  48          1HB       LEU  48   2.642   3.524  -9.326
  335   2HB   LEU  48          2HB       LEU  48   3.495   2.340  -8.294
  336    HG   LEU  48           HG       LEU  48   2.234   3.482  -6.346
  337   1HD1  LEU  48          1HD1      LEU  48   1.421   5.284  -8.077
  338   2HD1  LEU  48          3HD1      LEU  48   0.191   4.056  -8.473
  339   3HD1  LEU  48          2HD1      LEU  48   0.316   4.691  -6.812
  340   1HD2  LEU  48          1HD2      LEU  48   1.196   1.619  -8.463
  341   2HD2  LEU  48          2HD2      LEU  48   1.720   1.269  -6.796
  342   3HD2  LEU  48          3HD2      LEU  48   0.154   2.068  -7.089
  343    H    THR  49           H        THR  49   3.099   5.808  -6.257
  344    HA   THR  49           HA       THR  49   4.540   4.697  -3.959
  345    HB   THR  49           HB       THR  49   6.400   5.852  -4.614
  346    HG1  THR  49           HG1      THR  49   4.903   7.863  -3.518
  347   1HG2  THR  49          3HG2      THR  49   4.620   7.462  -6.259
  348   2HG2  THR  49          2HG2      THR  49   5.921   8.420  -5.504
  349   3HG2  THR  49          1HG2      THR  49   6.322   6.982  -6.480
  350    H    LEU  50           H        LEU  50   4.189   6.155  -2.017
  351    HA   LEU  50           HA       LEU  50   1.306   6.149  -1.926
  352   1HB   LEU  50          1HB       LEU  50   2.927   4.788  -0.594
  353   2HB   LEU  50          2HB       LEU  50   3.399   6.278   0.266
  354    HG   LEU  50           HG       LEU  50   1.226   6.428   1.314
  355   1HD1  LEU  50          1HD1      LEU  50  -0.118   5.583  -0.593
  356   2HD1  LEU  50          2HD1      LEU  50   0.491   3.941  -0.261
  357   3HD1  LEU  50          3HD1      LEU  50  -0.511   4.782   0.949
  358   1HD2  LEU  50          1HD2      LEU  50   2.570   3.724   1.311
  359   2HD2  LEU  50          3HD2      LEU  50   2.733   5.054   2.486
  360   3HD2  LEU  50          2HD2      LEU  50   1.221   4.114   2.408
  361    H    SER  51           H        SER  51  -0.002   7.817  -1.720
  362    HA   SER  51           HA       SER  51   1.131  10.523  -1.313
  363   1HB   SER  51          2HB       SER  51  -0.503  10.190  -3.137
  364   2HB   SER  51          1HB       SER  51  -1.726   9.712  -1.924
  365    HG   SER  51           HG       SER  51  -1.503  12.015  -2.859
  366    H    HIS  52           H        HIS  52  -1.148   8.170   0.079
  367    HA   HIS  52           HA       HIS  52  -0.281   8.783   2.770
  368   1HB   HIS  52          2HB       HIS  52  -2.465   9.613   3.601
  369   2HB   HIS  52          1HB       HIS  52  -1.671  10.771   2.496
  370    HD1  HIS  52           HD1      HIS  52  -4.934   9.399   3.122
  371    HD2  HIS  52           HD2      HIS  52  -2.689   9.985  -0.336
  372    HE1  HIS  52           HE1      HIS  52  -6.515   9.136   1.195
  373    HE2  HIS  52           HE2      HIS  52  -5.200   9.678  -0.885
  374    H    PHE  53           H        PHE  53  -1.406   7.522   4.358
  375    HA   PHE  53           HA       PHE  53  -2.461   4.964   3.499
  376   1HB   PHE  53          1HB       PHE  53  -2.593   6.355   6.209
  377   2HB   PHE  53          2HB       PHE  53  -3.176   4.700   5.871
  378    HD1  PHE  53           HD2      PHE  53   0.028   6.539   4.961
  379    HD2  PHE  53           HD1      PHE  53  -1.863   3.214   6.845
  380    HE1  PHE  53           HE2      PHE  53   2.225   5.761   5.816
  381    HE2  PHE  53           HE1      PHE  53   0.335   2.186   7.250
  382    HZ   PHE  53           HZ       PHE  53   2.378   3.509   6.845
  383    H    GLY  54           H        GLY  54  -4.693   4.477   4.787
  384   1HA   GLY  54          2HA       GLY  54  -6.993   4.651   4.635
  385   2HA   GLY  54          1HA       GLY  54  -6.810   6.422   4.541
  386    H    LYS  55           H        LYS  55  -8.705   5.719   3.016
  387    HA   LYS  55           HA       LYS  55  -7.739   5.306   0.244
  388   1HB   LYS  55          1HB       LYS  55 -10.503   6.275   0.757
  389   2HB   LYS  55          2HB       LYS  55  -9.887   5.086  -0.422
  390   1HG   LYS  55          1HG       LYS  55 -10.107   3.316   1.025
  391   2HG   LYS  55          2HG       LYS  55  -9.875   4.323   2.482
  392   1HD   LYS  55          1HD       LYS  55 -12.296   4.805   0.853
  393   2HD   LYS  55          2HD       LYS  55 -12.238   3.297   1.725
  394   1HE   LYS  55          2HE       LYS  55 -13.215   4.600   3.306
  395   2HE   LYS  55          1HE       LYS  55 -11.499   4.868   3.713
  396   1HZ   LYS  55          2HZ       LYS  55 -11.583   6.739   2.352
  397   2HZ   LYS  55          3HZ       LYS  55 -13.205   6.511   2.123
  398   3HZ   LYS  55          1HZ       LYS  55 -12.614   6.827   3.605
  399    H    CYS  56           H        CYS  56  -8.283   6.936  -1.361
  400    HA   CYS  56           HA       CYS  56  -7.715   9.659  -0.681
  401   1HB   CYS  56          1HB       CYS  56  -8.810   8.239  -3.087
  402   2HB   CYS  56          2HB       CYS  56  -8.906  10.019  -2.974
   
  Start of MODEL           4
 Raw file had 402 H/Q atoms
  Start of MODEL    4
    1   1H    LEU   1          2H        LEU   1   8.431  16.990   5.735
    2   2H    LEU   1          1H        LEU   1   9.927  17.639   5.815
    3   3H    LEU   1          3H        LEU   1   9.662  16.309   4.905
    4    HA   LEU   1           HA       LEU   1  10.695  15.465   6.731
    5   1HB   LEU   1          2HB       LEU   1   9.237  17.742   7.929
    6   2HB   LEU   1          1HB       LEU   1   9.403  16.309   8.982
    7    HG   LEU   1           HG       LEU   1  11.173  17.788   9.510
    8   1HD1  LEU   1          3HD1      LEU   1  11.703  15.325   9.186
    9   2HD1  LEU   1          2HD1      LEU   1  12.402  15.775   7.610
   10   3HD1  LEU   1          1HD1      LEU   1  13.090  16.441   9.112
   11   1HD2  LEU   1          1HD2      LEU   1  10.930  19.016   7.297
   12   2HD2  LEU   1          2HD2      LEU   1  12.594  18.812   7.904
   13   3HD2  LEU   1          3HD2      LEU   1  11.989  17.767   6.593
   14    H    ALA   2           H        ALA   2   9.638  14.093   8.645
   15    HA   ALA   2           HA       ALA   2   8.371  12.231   9.073
   16   1HB   ALA   2          1HB       ALA   2   6.471  13.899   9.034
   17   2HB   ALA   2          3HB       ALA   2   6.204  13.425   7.336
   18   3HB   ALA   2          2HB       ALA   2   6.052  12.214   8.633
   19    H    ALA   3           H        ALA   3   6.627  10.823   7.406
   20    HA   ALA   3           HA       ALA   3   7.866  10.266   4.839
   21   1HB   ALA   3          2HB       ALA   3   9.598   9.599   6.566
   22   2HB   ALA   3          1HB       ALA   3   8.455   8.334   7.087
   23   3HB   ALA   3          3HB       ALA   3   9.084   8.335   5.419
   24    H    VAL   4           H        VAL   4   6.417   9.279   3.655
   25    HA   VAL   4           HA       VAL   4   4.572   7.376   4.992
   26    HB   VAL   4           HB       VAL   4   3.431   9.446   4.155
   27   1HG1  VAL   4          2HG1      VAL   4   4.753   9.744   2.078
   28   2HG1  VAL   4          3HG1      VAL   4   3.954   8.307   1.397
   29   3HG1  VAL   4          1HG1      VAL   4   2.994   9.748   1.807
   30   1HG2  VAL   4          1HG2      VAL   4   2.704   6.686   3.850
   31   2HG2  VAL   4          2HG2      VAL   4   1.693   8.088   4.276
   32   3HG2  VAL   4          3HG2      VAL   4   1.940   7.657   2.567
   33    H    SER   5           H        SER   5   5.071   5.399   4.516
   34    HA   SER   5           HA       SER   5   5.125   4.369   1.971
   35   1HB   SER   5          2HB       SER   5   7.708   3.620   2.131
   36   2HB   SER   5          1HB       SER   5   7.128   5.009   1.168
   37    HG   SER   5           HG       SER   5   8.626   6.002   2.192
   38    H    VAL   6           H        VAL   6   3.909   2.824   2.822
   39    HA   VAL   6           HA       VAL   6   4.752   0.939   4.822
   40    HB   VAL   6           HB       VAL   6   2.853   0.737   2.477
   41   1HG1  VAL   6          2HG1      VAL   6   3.456  -1.237   4.675
   42   2HG1  VAL   6          1HG1      VAL   6   1.879  -1.200   3.853
   43   3HG1  VAL   6          3HG1      VAL   6   3.363  -1.502   2.918
   44   1HG2  VAL   6          3HG2      VAL   6   2.477   1.416   5.386
   45   2HG2  VAL   6          1HG2      VAL   6   1.978   2.329   3.941
   46   3HG2  VAL   6          2HG2      VAL   6   1.141   0.818   4.373
   47    H    ASP   7           H        ASP   7   5.805  -0.986   4.606
   48    HA   ASP   7           HA       ASP   7   7.880  -0.828   2.602
   49   1HB   ASP   7          2HB       ASP   7   9.114  -2.320   3.903
   50   2HB   ASP   7          1HB       ASP   7   8.269  -1.227   5.036
   51    H    CYS   8           H        CYS   8   8.251  -2.032   0.896
   52    HA   CYS   8           HA       CYS   8   6.063  -3.921   0.197
   53   1HB   CYS   8          2HB       CYS   8   7.461  -1.920  -1.593
   54   2HB   CYS   8          1HB       CYS   8   6.093  -2.987  -2.017
   55    H    SER   9           H        SER   9   8.833  -4.483   1.210
   56    HA   SER   9           HA       SER   9  10.559  -5.098  -1.056
   57   1HB   SER   9          2HB       SER   9  10.862  -4.884   1.752
   58   2HB   SER   9          1HB       SER   9  11.305  -6.554   1.290
   59    HG   SER   9           HG       SER   9  12.170  -4.061   0.057
   60    H    GLU  10           H        GLU  10   7.915  -6.602   0.562
   61    HA   GLU  10           HA       GLU  10   8.899  -9.326  -0.098
   62   1HB   GLU  10          1HB       GLU  10   6.593  -8.786   1.682
   63   2HB   GLU  10          2HB       GLU  10   7.718 -10.024   1.683
   64   1HG   GLU  10          1HG       GLU  10   8.046  -8.888   3.661
   65   2HG   GLU  10          2HG       GLU  10   9.421  -8.636   2.549
   66    OH   TYR  11           OH       TYR  11   2.760  -6.915   2.642
   67    H    TYR  11           H        TYR  11   7.622  -7.605  -2.085
   68    HA   TYR  11           HA       TYR  11   5.151  -9.176  -2.626
   69   1HB   TYR  11          1HB       TYR  11   5.569  -6.164  -2.746
   70   2HB   TYR  11          2HB       TYR  11   4.124  -7.020  -3.349
   71    HD1  TYR  11           HD2      TYR  11   6.105  -6.300  -0.283
   72    HD2  TYR  11           HD1      TYR  11   2.457  -7.882  -1.781
   73    HE1  TYR  11           HE2      TYR  11   5.097  -6.062   1.946
   74    HE2  TYR  11           HE1      TYR  11   1.478  -7.776   0.470
   75    HH   TYR  11           HH       TYR  11   2.462  -7.949   2.809
   76    HA   PRO  12           HA       PRO  12   3.508  -8.641  -4.144
   77   1HB   PRO  12          1HB       PRO  12   2.684  -9.693  -6.559
   78   2HB   PRO  12          2HB       PRO  12   2.960  -7.947  -6.306
   79   1HG   PRO  12          2HG       PRO  12   4.419  -9.765  -8.016
   80   2HG   PRO  12          1HG       PRO  12   4.676  -8.012  -7.784
   81   1HD   PRO  12          2HD       PRO  12   6.135 -10.326  -6.545
   82   2HD   PRO  12          1HD       PRO  12   6.704  -8.662  -6.854
   83    H    LYS  13           H        LYS  13   2.028 -10.352  -3.819
   84    HA   LYS  13           HA       LYS  13   3.622 -12.721  -2.936
   85   1HB   LYS  13          1HB       LYS  13   1.610 -11.046  -1.413
   86   2HB   LYS  13          2HB       LYS  13   2.045 -12.713  -0.942
   87   1HG   LYS  13          2HG       LYS  13   4.510 -11.767  -1.038
   88   2HG   LYS  13          1HG       LYS  13   3.688 -10.193  -0.834
   89   1HD   LYS  13          2HD       LYS  13   3.509 -10.570   1.341
   90   2HD   LYS  13          1HD       LYS  13   2.549 -11.987   1.018
   91   1HE   LYS  13          2HE       LYS  13   4.397 -12.573   2.427
   92   2HE   LYS  13          1HE       LYS  13   4.528 -13.365   0.834
   93   1HZ   LYS  13          2HZ       LYS  13   5.801 -10.901   1.470
   94   2HZ   LYS  13          3HZ       LYS  13   6.487 -12.384   1.725
   95   3HZ   LYS  13          1HZ       LYS  13   6.081 -11.906   0.224
   96    HA   PRO  14           HA       PRO  14  -0.069 -14.964  -4.433
   97   1HB   PRO  14          1HB       PRO  14   0.899 -17.367  -3.623
   98   2HB   PRO  14          2HB       PRO  14   1.755 -16.392  -4.852
   99   1HG   PRO  14          2HG       PRO  14   2.562 -17.038  -2.101
  100   2HG   PRO  14          1HG       PRO  14   3.527 -16.320  -3.420
  101   1HD   PRO  14          2HD       PRO  14   2.143 -14.978  -1.159
  102   2HD   PRO  14          1HD       PRO  14   3.442 -14.365  -2.215
  103    H    ALA  15           H        ALA  15  -0.294 -13.472  -1.894
  104    HA   ALA  15           HA       ALA  15  -2.941 -14.285  -1.567
  105   1HB   ALA  15          1HB       ALA  15  -1.058 -15.409   0.490
  106   2HB   ALA  15          2HB       ALA  15  -2.726 -14.959   0.929
  107   3HB   ALA  15          3HB       ALA  15  -2.437 -16.177  -0.339
  108    H    CYS  16           H        CYS  16  -4.123 -12.858  -0.291
  109    HA   CYS  16           HA       CYS  16  -2.575 -10.767   1.162
  110   1HB   CYS  16          2HB       CYS  16  -4.974 -10.286  -0.624
  111   2HB   CYS  16          1HB       CYS  16  -4.023  -9.072   0.276
  112    H    THR  17           H        THR  17  -3.274 -10.236   3.094
  113    HA   THR  17           HA       THR  17  -5.646 -11.343   4.336
  114    HB   THR  17           HB       THR  17  -5.195  -9.233   5.923
  115    HG1  THR  17           HG1      THR  17  -3.457  -8.475   5.814
  116   1HG2  THR  17          1HG2      THR  17  -3.562 -11.748   5.747
  117   2HG2  THR  17          2HG2      THR  17  -3.188 -10.508   6.971
  118   3HG2  THR  17          3HG2      THR  17  -4.799 -11.270   6.939
  119    H    LEU  18           H        LEU  18  -7.599 -10.395   4.684
  120    HA   LEU  18           HA       LEU  18  -8.271  -8.395   2.588
  121   1HB   LEU  18          2HB       LEU  18 -10.463  -9.812   2.689
  122   2HB   LEU  18          1HB       LEU  18  -9.018 -10.387   1.806
  123    HG   LEU  18           HG       LEU  18  -9.284 -11.281   4.621
  124   1HD1  LEU  18          3HD2      LEU  18 -11.317 -11.756   2.505
  125   2HD1  LEU  18          2HD2      LEU  18 -10.765 -13.187   3.412
  126   3HD1  LEU  18          1HD2      LEU  18 -11.466 -11.798   4.280
  127   1HD2  LEU  18          3HD1      LEU  18  -8.186 -12.196   2.019
  128   2HD2  LEU  18          2HD1      LEU  18  -7.538 -12.361   3.672
  129   3HD2  LEU  18          1HD1      LEU  18  -8.816 -13.464   3.102
  130    H    GLU  19           H        GLU  19  -7.786  -8.075   5.610
  131    HA   GLU  19           HA       GLU  19 -10.315  -6.735   6.392
  132   1HB   GLU  19          1HB       GLU  19  -9.446  -6.734   8.403
  133   2HB   GLU  19          2HB       GLU  19  -8.450  -7.916   7.769
  134   1HG   GLU  19          1HG       GLU  19  -7.554  -5.099   8.090
  135   2HG   GLU  19          2HG       GLU  19  -7.344  -6.473   9.211
  136    OH   TYR  20           OH       TYR  20 -11.082   1.110   0.335
  137    H    TYR  20           H        TYR  20 -10.453  -4.484   6.395
  138    HA   TYR  20           HA       TYR  20  -9.029  -3.445   4.037
  139   1HB   TYR  20          1HB       TYR  20 -11.536  -3.666   4.100
  140   2HB   TYR  20          2HB       TYR  20 -11.564  -2.384   5.343
  141    HD1  TYR  20           HD2      TYR  20 -10.393  -3.058   1.851
  142    HD2  TYR  20           HD1      TYR  20 -11.930  -0.198   4.597
  143    HE1  TYR  20           HE2      TYR  20 -10.196  -1.308   0.134
  144    HE2  TYR  20           HE1      TYR  20 -11.978   1.492   2.815
  145    HH   TYR  20           HH       TYR  20 -10.723   2.012   0.829
  146    NH1  ARG  21           NH1      ARG  21  -4.353   1.474   8.351
  147    NH2  ARG  21           NH2      ARG  21  -4.984   1.876  10.523
  148    H    ARG  21           H        ARG  21  -8.058  -1.494   3.894
  149    HA   ARG  21           HA       ARG  21  -7.449   0.297   6.045
  150   1HB   ARG  21          1HB       ARG  21  -6.163  -2.370   6.051
  151   2HB   ARG  21          2HB       ARG  21  -5.052  -0.974   6.150
  152   1HG   ARG  21          2HG       ARG  21  -6.858  -0.255   8.026
  153   2HG   ARG  21          1HG       ARG  21  -6.994  -2.033   8.133
  154   1HD   ARG  21          2HD       ARG  21  -4.984  -2.251   9.057
  155   2HD   ARG  21          1HD       ARG  21  -4.245  -1.052   7.959
  156    HE   ARG  21           HE       ARG  21  -5.286  -0.583  10.630
  157   1HH1  ARG  21          2HH1      ARG  21  -4.207   0.842   7.590
  158   2HH1  ARG  21          1HH1      ARG  21  -4.145   2.446   8.239
  159   1HH2  ARG  21          2HH2      ARG  21  -5.317   1.547  11.405
  160   2HH2  ARG  21          1HH2      ARG  21  -4.769   2.846  10.399
  161    HA   PRO  22           HA       PRO  22  -6.250   0.522   1.477
  162   1HB   PRO  22          1HB       PRO  22  -7.528   3.013   1.195
  163   2HB   PRO  22          2HB       PRO  22  -8.302   1.422   0.956
  164   1HG   PRO  22          2HG       PRO  22  -8.910   3.346   2.962
  165   2HG   PRO  22          1HG       PRO  22  -9.526   1.673   2.858
  166   1HD   PRO  22          2HD       PRO  22  -7.318   2.791   4.574
  167   2HD   PRO  22          1HD       PRO  22  -8.431   1.431   4.890
  168    H    LEU  23           H        LEU  23  -4.786   1.509   0.269
  169    HA   LEU  23           HA       LEU  23  -3.426   3.854   1.493
  170   1HB   LEU  23          1HB       LEU  23  -2.130   1.383   0.311
  171   2HB   LEU  23          2HB       LEU  23  -1.277   2.878   0.787
  172    HG   LEU  23           HG       LEU  23  -2.640   2.203   3.079
  173   1HD1  LEU  23          3HD1      LEU  23  -2.784  -0.092   1.521
  174   2HD1  LEU  23          1HD1      LEU  23  -1.395  -0.390   2.596
  175   3HD1  LEU  23          2HD1      LEU  23  -2.984   0.016   3.289
  176   1HD2  LEU  23          1HD2      LEU  23  -0.227   2.896   2.631
  177   2HD2  LEU  23          2HD2      LEU  23  -0.483   1.730   3.954
  178   3HD2  LEU  23          3HD2      LEU  23   0.122   1.168   2.375
  179    H    CYS  24           H        CYS  24  -3.273   5.501   0.164
  180    HA   CYS  24           HA       CYS  24  -4.285   5.101  -2.595
  181   1HB   CYS  24          2HB       CYS  24  -5.369   6.751  -1.027
  182   2HB   CYS  24          1HB       CYS  24  -3.870   7.715  -1.142
  183    H    GLY  25           H        GLY  25  -3.137   5.634  -4.363
  184   1HA   GLY  25          2HA       GLY  25  -0.196   5.848  -3.905
  185   2HA   GLY  25          1HA       GLY  25  -0.973   5.148  -5.349
  186    H    SER  26           H        SER  26   0.875   6.897  -5.924
  187    HA   SER  26           HA       SER  26   0.282   9.598  -5.696
  188   1HB   SER  26          1HB       SER  26   2.503   8.864  -6.206
  189   2HB   SER  26          2HB       SER  26   1.974   8.188  -7.773
  190    HG   SER  26           HG       SER  26   2.712  10.735  -6.980
  191    H    ASP  27           H        ASP  27  -0.529   7.360  -8.336
  192    HA   ASP  27           HA       ASP  27  -1.690   9.349 -10.048
  193   1HB   ASP  27          2HB       ASP  27  -2.681   7.507 -11.253
  194   2HB   ASP  27          1HB       ASP  27  -0.945   7.228 -10.919
  195    H    ASN  28           H        ASN  28  -2.685   7.865  -7.118
  196    HA   ASN  28           HA       ASN  28  -4.239   8.667  -5.671
  197   1HB   ASN  28          2HB       ASN  28  -5.384  10.497  -7.761
  198   2HB   ASN  28          1HB       ASN  28  -5.436  10.616  -5.979
  199   1HD2  ASN  28          2HD2      ASN  28  -2.528  12.430  -8.071
  200   2HD2  ASN  28          1HD2      ASN  28  -3.978  11.778  -8.759
  201    H    LYS  29           H        LYS  29  -4.543   6.494  -7.721
  202    HA   LYS  29           HA       LYS  29  -7.414   5.979  -7.232
  203   1HB   LYS  29          1HB       LYS  29  -5.233   4.656  -8.727
  204   2HB   LYS  29          2HB       LYS  29  -6.313   3.550  -7.835
  205   1HG   LYS  29          2HG       LYS  29  -6.953   3.995 -10.234
  206   2HG   LYS  29          1HG       LYS  29  -8.235   4.313  -9.031
  207   1HD   LYS  29          1HD       LYS  29  -7.336   6.742  -9.130
  208   2HD   LYS  29          2HD       LYS  29  -6.543   6.257 -10.604
  209   1HE   LYS  29          2HE       LYS  29  -9.106   5.321 -10.975
  210   2HE   LYS  29          1HE       LYS  29  -9.353   6.809 -10.021
  211   1HZ   LYS  29          2HZ       LYS  29  -7.694   6.670 -12.330
  212   2HZ   LYS  29          3HZ       LYS  29  -9.307   7.035 -12.368
  213   3HZ   LYS  29          1HZ       LYS  29  -8.263   7.984 -11.558
  214    H    THR  30           H        THR  30  -8.020   4.144  -5.903
  215    HA   THR  30           HA       THR  30  -6.480   4.105  -3.425
  216    HB   THR  30           HB       THR  30  -8.918   2.365  -3.736
  217    HG1  THR  30           HG1      THR  30  -8.888   5.096  -3.652
  218   1HG2  THR  30          3HG2      THR  30  -7.890   4.239  -1.611
  219   2HG2  THR  30          2HG2      THR  30  -9.546   3.581  -1.580
  220   3HG2  THR  30          1HG2      THR  30  -8.148   2.476  -1.550
  221    OH   TYR  31           OH       TYR  31  -2.108   1.002  -8.331
  222    H    TYR  31           H        TYR  31  -5.749   2.272  -2.353
  223    HA   TYR  31           HA       TYR  31  -5.933  -0.305  -3.816
  224   1HB   TYR  31          1HB       TYR  31  -3.507   0.786  -2.350
  225   2HB   TYR  31          2HB       TYR  31  -3.734  -0.944  -2.735
  226    HD1  TYR  31           HD2      TYR  31  -3.951  -1.600  -5.172
  227    HD2  TYR  31           HD1      TYR  31  -2.716   2.305  -4.027
  228    HE1  TYR  31           HE2      TYR  31  -3.184  -1.180  -7.465
  229    HE2  TYR  31           HE1      TYR  31  -1.972   2.751  -6.326
  230    HH   TYR  31           HH       TYR  31  -2.793   1.768  -8.690
  231    H    GLY  32           H        GLY  32  -6.435  -2.046  -2.584
  232   1HA   GLY  32          2HA       GLY  32  -8.250  -1.409  -0.553
  233   2HA   GLY  32          1HA       GLY  32  -7.748  -3.061  -0.996
  234    H    ASN  33           H        ASN  33  -4.976  -2.790  -0.376
  235    HA   ASN  33           HA       ASN  33  -4.494  -1.478   1.990
  236   1HB   ASN  33          2HB       ASN  33  -4.421  -2.967   3.747
  237   2HB   ASN  33          1HB       ASN  33  -5.983  -3.282   2.941
  238   1HD2  ASN  33          2HD2      ASN  33  -4.741  -6.438   1.512
  239   2HD2  ASN  33          1HD2      ASN  33  -5.579  -5.007   1.009
  240    H    LYS  34           H        LYS  34  -2.472  -3.147   3.106
  241    HA   LYS  34           HA       LYS  34  -0.412  -2.057   1.636
  242   1HB   LYS  34          1HB       LYS  34   1.027  -3.834   2.912
  243   2HB   LYS  34          2HB       LYS  34   0.188  -2.525   3.793
  244   1HG   LYS  34          2HG       LYS  34  -1.618  -4.061   4.402
  245   2HG   LYS  34          1HG       LYS  34  -0.833  -5.377   3.485
  246   1HD   LYS  34          2HD       LYS  34   0.063  -4.002   6.023
  247   2HD   LYS  34          1HD       LYS  34  -0.419  -5.663   5.808
  248   1HE   LYS  34          1HE       LYS  34   1.596  -5.618   4.067
  249   2HE   LYS  34          2HE       LYS  34   2.159  -4.353   5.191
  250   1HZ   LYS  34          1HZ       LYS  34   1.346  -7.009   5.876
  251   2HZ   LYS  34          2HZ       LYS  34   2.871  -6.459   5.753
  252   3HZ   LYS  34          3HZ       LYS  34   1.848  -5.850   6.901
  253    H    CYS  35           H        CYS  35  -1.817  -5.281   1.365
  254    HA   CYS  35           HA       CYS  35   0.159  -6.403  -0.292
  255   1HB   CYS  35          2HB       CYS  35  -1.743  -7.576   0.892
  256   2HB   CYS  35          1HB       CYS  35  -2.786  -7.053  -0.462
  257    H    ASN  36           H        ASN  36  -2.939  -4.856  -1.212
  258    HA   ASN  36           HA       ASN  36  -2.288  -5.178  -3.988
  259   1HB   ASN  36          2HB       ASN  36  -4.652  -4.109  -2.493
  260   2HB   ASN  36          1HB       ASN  36  -4.501  -3.886  -4.260
  261   1HD2  ASN  36          2HD2      ASN  36  -5.240  -7.596  -2.623
  262   2HD2  ASN  36          1HD2      ASN  36  -4.770  -6.254  -1.634
  263    H    PHE  37           H        PHE  37  -1.879  -2.654  -1.677
  264    HA   PHE  37           HA       PHE  37  -1.229  -0.560  -3.569
  265   1HB   PHE  37          1HB       PHE  37  -1.621   0.130  -1.308
  266   2HB   PHE  37          2HB       PHE  37  -0.426  -1.020  -0.660
  267    HD1  PHE  37           HD1      PHE  37  -0.685   1.788  -3.058
  268    HD2  PHE  37           HD2      PHE  37   1.654  -0.044  -0.006
  269    HE1  PHE  37           HE1      PHE  37   1.098   3.426  -3.470
  270    HE2  PHE  37           HE2      PHE  37   3.377   1.711  -0.268
  271    HZ   PHE  37           HZ       PHE  37   3.150   3.364  -2.103
  272    H    CYS  38           H        CYS  38   0.791  -2.798  -1.611
  273    HA   CYS  38           HA       CYS  38   3.119  -1.860  -2.917
  274   1HB   CYS  38          2HB       CYS  38   2.578  -4.036  -0.912
  275   2HB   CYS  38          1HB       CYS  38   4.198  -3.821  -1.632
  276    H    ASN  39           H        ASN  39   0.969  -4.460  -3.655
  277    HA   ASN  39           HA       ASN  39   2.692  -5.861  -5.490
  278   1HB   ASN  39          2HB       ASN  39  -0.214  -5.782  -4.925
  279   2HB   ASN  39          1HB       ASN  39   0.293  -6.283  -6.564
  280   1HD2  ASN  39          2HD2      ASN  39   1.755  -8.539  -3.419
  281   2HD2  ASN  39          1HD2      ASN  39   1.613  -6.820  -3.258
  282    H    ALA  40           H        ALA  40   0.388  -3.159  -5.787
  283    HA   ALA  40           HA       ALA  40   0.848  -2.933  -8.612
  284   1HB   ALA  40          3HB       ALA  40  -0.688  -1.362  -6.556
  285   2HB   ALA  40          2HB       ALA  40  -0.507  -0.770  -8.227
  286   3HB   ALA  40          1HB       ALA  40  -1.283  -2.344  -7.918
  287    H    VAL  41           H        VAL  41   2.396  -1.606  -5.814
  288    HA   VAL  41           HA       VAL  41   3.841   0.404  -7.294
  289    HB   VAL  41           HB       VAL  41   4.368  -0.898  -4.615
  290   1HG1  VAL  41          3HG1      VAL  41   6.332   0.294  -5.909
  291   2HG1  VAL  41          1HG1      VAL  41   5.517   1.768  -5.333
  292   3HG1  VAL  41          2HG1      VAL  41   6.081   0.549  -4.165
  293   1HG2  VAL  41          3HG2      VAL  41   2.238   0.528  -5.082
  294   2HG2  VAL  41          2HG2      VAL  41   3.188   0.793  -3.601
  295   3HG2  VAL  41          1HG2      VAL  41   3.365   1.901  -4.984
  296    H    VAL  42           H        VAL  42   4.859  -2.746  -5.905
  297    HA   VAL  42           HA       VAL  42   7.337  -2.808  -7.189
  298    HB   VAL  42           HB       VAL  42   6.738  -4.163  -5.276
  299   1HG1  VAL  42          3HG1      VAL  42   4.423  -4.818  -6.391
  300   2HG1  VAL  42          1HG1      VAL  42   5.357  -6.240  -6.913
  301   3HG1  VAL  42          2HG1      VAL  42   5.216  -5.854  -5.181
  302   1HG2  VAL  42          3HG2      VAL  42   8.586  -4.766  -6.941
  303   2HG2  VAL  42          1HG2      VAL  42   8.073  -6.011  -5.778
  304   3HG2  VAL  42          2HG2      VAL  42   7.509  -6.083  -7.466
  305    H    GLU  43           H        GLU  43   4.202  -3.317  -8.514
  306    HA   GLU  43           HA       GLU  43   5.244  -4.492 -11.019
  307   1HB   GLU  43          2HB       GLU  43   3.195  -4.786 -11.576
  308   2HB   GLU  43          1HB       GLU  43   2.967  -4.863  -9.925
  309   1HG   GLU  43          1HG       GLU  43   1.180  -3.603 -10.358
  310   2HG   GLU  43          2HG       GLU  43   2.383  -2.285 -10.453
  311    H    SER  44           H        SER  44   4.249  -1.392  -9.602
  312    HA   SER  44           HA       SER  44   4.235   0.165 -11.857
  313   1HB   SER  44          2HB       SER  44   3.984   0.631  -9.174
  314   2HB   SER  44          1HB       SER  44   5.477   1.529  -9.568
  315    HG   SER  44           HG       SER  44   2.762   1.737 -10.515
  316    H    ASN  45           H        ASN  45   7.017  -1.083 -10.146
  317    HA   ASN  45           HA       ASN  45   9.249  -0.724 -10.261
  318   1HB   ASN  45          1HB       ASN  45   9.022   0.652 -12.908
  319   2HB   ASN  45          2HB       ASN  45  10.314  -0.394 -12.252
  320   1HD2  ASN  45          2HD2      ASN  45   9.090  -3.307 -13.674
  321   2HD2  ASN  45          1HD2      ASN  45  10.353  -2.484 -12.821
  322    H    GLY  46           H        GLY  46   8.103   0.801  -8.596
  323   1HA   GLY  46          1HA       GLY  46   8.400   2.723  -7.362
  324   2HA   GLY  46          2HA       GLY  46   9.928   2.835  -8.274
  325    H    THR  47           H        THR  47   6.632   3.037  -9.594
  326    HA   THR  47           HA       THR  47   7.089   5.934 -10.120
  327    HB   THR  47           HB       THR  47   6.008   5.716 -12.245
  328    HG1  THR  47           HG1      THR  47   5.649   3.119 -11.474
  329   1HG2  THR  47          3HG2      THR  47   8.357   4.268 -11.694
  330   2HG2  THR  47          2HG2      THR  47   7.398   3.271 -12.818
  331   3HG2  THR  47          1HG2      THR  47   7.805   4.953 -13.245
  332    H    LEU  48           H        LEU  48   4.861   3.475  -9.007
  333    HA   LEU  48           HA       LEU  48   2.602   5.203  -8.911
  334   1HB   LEU  48          1HB       LEU  48   2.198   2.941  -9.143
  335   2HB   LEU  48          2HB       LEU  48   3.372   2.490  -7.873
  336    HG   LEU  48           HG       LEU  48   1.831   3.181  -6.148
  337   1HD1  LEU  48          3HD1      LEU  48   0.506   4.485  -8.403
  338   2HD1  LEU  48          1HD1      LEU  48  -0.618   3.516  -7.417
  339   3HD1  LEU  48          2HD1      LEU  48   0.362   4.794  -6.654
  340   1HD2  LEU  48          3HD2      LEU  48   0.763   1.375  -8.328
  341   2HD2  LEU  48          1HD2      LEU  48   1.631   0.926  -6.839
  342   3HD2  LEU  48          2HD2      LEU  48  -0.037   1.546  -6.745
  343    H    THR  49           H        THR  49   4.139   3.629  -6.091
  344    HA   THR  49           HA       THR  49   4.787   4.374  -4.068
  345    HB   THR  49           HB       THR  49   6.305   6.043  -4.045
  346    HG1  THR  49           HG1      THR  49   4.687   7.411  -5.764
  347   1HG2  THR  49          2HG2      THR  49   6.191   4.836  -6.495
  348   2HG2  THR  49          3HG2      THR  49   6.306   6.564  -6.918
  349   3HG2  THR  49          1HG2      THR  49   7.528   5.824  -5.852
  350    H    LEU  50           H        LEU  50   4.468   6.082  -2.342
  351    HA   LEU  50           HA       LEU  50   1.564   6.013  -2.099
  352   1HB   LEU  50          1HB       LEU  50   3.255   4.653  -0.833
  353   2HB   LEU  50          2HB       LEU  50   3.766   6.155  -0.019
  354    HG   LEU  50           HG       LEU  50   1.636   6.331   1.109
  355   1HD1  LEU  50          3HD1      LEU  50   0.832   4.334  -0.918
  356   2HD1  LEU  50          1HD1      LEU  50   0.244   4.027   0.736
  357   3HD1  LEU  50          2HD1      LEU  50  -0.129   5.572  -0.070
  358   1HD2  LEU  50          1HD2      LEU  50   2.983   3.628   1.120
  359   2HD2  LEU  50          2HD2      LEU  50   3.182   4.984   2.259
  360   3HD2  LEU  50          3HD2      LEU  50   1.671   4.039   2.254
  361    H    SER  51           H        SER  51   0.307   7.716  -1.839
  362    HA   SER  51           HA       SER  51   1.567  10.388  -1.540
  363   1HB   SER  51          2HB       SER  51  -0.128   9.933  -3.381
  364   2HB   SER  51          1HB       SER  51  -1.354   9.843  -2.084
  365    HG   SER  51           HG       SER  51  -1.140  11.896  -3.187
  366    H    HIS  52           H        HIS  52  -0.703   8.094  -0.089
  367    HA   HIS  52           HA       HIS  52   0.108   8.820   2.554
  368   1HB   HIS  52          2HB       HIS  52  -2.026   9.705   3.415
  369   2HB   HIS  52          1HB       HIS  52  -1.267  10.820   2.242
  370    HD1  HIS  52           HD1      HIS  52  -4.503   9.379   3.012
  371    HD2  HIS  52           HD2      HIS  52  -2.424  10.215  -0.499
  372    HE1  HIS  52           HE1      HIS  52  -6.176   9.249   1.150
  373    HE2  HIS  52           HE2      HIS  52  -4.935   9.809  -0.970
  374    H    PHE  53           H        PHE  53  -0.879   7.542   4.161
  375    HA   PHE  53           HA       PHE  53  -1.894   4.975   3.386
  376   1HB   PHE  53          1HB       PHE  53  -2.002   6.419   6.067
  377   2HB   PHE  53          2HB       PHE  53  -2.586   4.752   5.789
  378    HD1  PHE  53           HD2      PHE  53   0.575   6.610   4.767
  379    HD2  PHE  53           HD1      PHE  53  -1.231   3.267   6.703
  380    HE1  PHE  53           HE2      PHE  53   2.802   5.852   5.557
  381    HE2  PHE  53           HE1      PHE  53   0.986   2.262   7.051
  382    HZ   PHE  53           HZ       PHE  53   3.006   3.603   6.586
  383    H    GLY  54           H        GLY  54  -4.057   4.305   4.599
  384   1HA   GLY  54          1HA       GLY  54  -6.368   4.438   4.684
  385   2HA   GLY  54          2HA       GLY  54  -6.231   6.201   4.458
  386    H    LYS  55           H        LYS  55  -8.208   5.642   3.148
  387    HA   LYS  55           HA       LYS  55  -7.480   4.908   0.352
  388   1HB   LYS  55          2HB       LYS  55  -9.915   5.057  -0.095
  389   2HB   LYS  55          1HB       LYS  55  -9.467   3.762   1.052
  390   1HG   LYS  55          2HG       LYS  55 -10.200   5.165   2.934
  391   2HG   LYS  55          1HG       LYS  55 -10.630   6.475   1.797
  392   1HD   LYS  55          2HD       LYS  55 -11.945   4.159   0.880
  393   2HD   LYS  55          1HD       LYS  55 -12.074   4.097   2.616
  394   1HE   LYS  55          2HE       LYS  55 -12.773   6.573   1.061
  395   2HE   LYS  55          1HE       LYS  55 -13.929   5.247   1.360
  396   1HZ   LYS  55          1HZ       LYS  55 -12.449   6.549   3.421
  397   2HZ   LYS  55          2HZ       LYS  55 -13.895   7.067   2.890
  398   3HZ   LYS  55          3HZ       LYS  55 -13.731   5.557   3.544
  399    H    CYS  56           H        CYS  56  -8.519   6.364  -1.286
  400    HA   CYS  56           HA       CYS  56  -7.138   8.781  -0.970
  401   1HB   CYS  56          1HB       CYS  56  -9.209   8.110  -3.076
  402   2HB   CYS  56          2HB       CYS  56  -7.956   9.380  -3.166
   
  Start of MODEL           5
 Raw file had 402 H/Q atoms
  Start of MODEL    5
    1   1H    LEU   1          2H        LEU   1   0.309  14.484   7.418
    2   2H    LEU   1          1H        LEU   1   1.427  15.562   6.912
    3   3H    LEU   1          3H        LEU   1   0.063  15.333   6.044
    4    HA   LEU   1           HA       LEU   1   0.663  13.097   5.544
    5   1HB   LEU   1          2HB       LEU   1   1.578  15.490   4.511
    6   2HB   LEU   1          1HB       LEU   1   3.077  14.537   4.695
    7    HG   LEU   1           HG       LEU   1   0.760  13.247   3.332
    8   1HD1  LEU   1          2HD1      LEU   1   2.296  15.616   2.330
    9   2HD1  LEU   1          3HD1      LEU   1   1.922  14.294   1.194
   10   3HD1  LEU   1          1HD1      LEU   1   0.602  15.142   2.040
   11   1HD2  LEU   1          3HD2      LEU   1   3.213  12.431   3.941
   12   2HD2  LEU   1          2HD2      LEU   1   2.418  11.950   2.420
   13   3HD2  LEU   1          1HD2      LEU   1   3.610  13.276   2.423
   14    H    ALA   2           H        ALA   2   1.091  12.934   8.187
   15    HA   ALA   2           HA       ALA   2   3.876  12.804   8.877
   16   1HB   ALA   2          1HB       ALA   2   1.498  13.045  10.239
   17   2HB   ALA   2          3HB       ALA   2   2.021  11.392  10.648
   18   3HB   ALA   2          2HB       ALA   2   3.102  12.772  10.965
   19    H    ALA   3           H        ALA   3   5.074  11.336   7.858
   20    HA   ALA   3           HA       ALA   3   6.042   9.298   7.460
   21   1HB   ALA   3          3HB       ALA   3   5.593   9.348   9.997
   22   2HB   ALA   3          2HB       ALA   3   4.288   8.187   9.641
   23   3HB   ALA   3          1HB       ALA   3   5.975   7.789   9.223
   24    H    VAL   4           H        VAL   4   5.230   8.926   5.429
   25    HA   VAL   4           HA       VAL   4   2.674   7.437   5.272
   26    HB   VAL   4           HB       VAL   4   2.394   8.392   3.095
   27   1HG1  VAL   4          1HG1      VAL   4   1.897   9.746   5.223
   28   2HG1  VAL   4          3HG1      VAL   4   3.313  10.723   4.766
   29   3HG1  VAL   4          2HG1      VAL   4   1.921  10.603   3.663
   30   1HG2  VAL   4          3HG2      VAL   4   5.255   9.089   3.355
   31   2HG2  VAL   4          2HG2      VAL   4   4.294   8.653   1.922
   32   3HG2  VAL   4          1HG2      VAL   4   4.219  10.307   2.574
   33    H    SER   5           H        SER   5   4.883   5.974   5.954
   34    HA   SER   5           HA       SER   5   5.842   4.764   3.418
   35   1HB   SER   5          2HB       SER   5   7.858   4.190   4.612
   36   2HB   SER   5          1HB       SER   5   7.526   5.939   4.767
   37    HG   SER   5           HG       SER   5   7.919   3.978   6.618
   38    H    VAL   6           H        VAL   6   4.738   3.005   2.966
   39    HA   VAL   6           HA       VAL   6   4.814   0.871   5.032
   40    HB   VAL   6           HB       VAL   6   2.917   1.049   2.679
   41   1HG1  VAL   6          3HG2      VAL   6   3.835  -1.205   4.094
   42   2HG1  VAL   6          1HG2      VAL   6   2.175  -0.894   4.659
   43   3HG1  VAL   6          2HG2      VAL   6   2.498  -1.106   2.922
   44   1HG2  VAL   6          2HG1      VAL   6   2.485   1.556   5.623
   45   2HG2  VAL   6          3HG1      VAL   6   2.092   2.599   4.235
   46   3HG2  VAL   6          1HG1      VAL   6   1.157   1.113   4.523
   47    H    ASP   7           H        ASP   7   5.993  -0.862   4.589
   48    HA   ASP   7           HA       ASP   7   7.900  -0.434   2.434
   49   1HB   ASP   7          2HB       ASP   7   7.887  -1.861   5.002
   50   2HB   ASP   7          1HB       ASP   7   8.825  -2.638   3.695
   51    H    CYS   8           H        CYS   8   8.417  -1.771   0.788
   52    HA   CYS   8           HA       CYS   8   6.255  -3.696   0.088
   53   1HB   CYS   8          2HB       CYS   8   7.479  -1.579  -1.695
   54   2HB   CYS   8          1HB       CYS   8   6.176  -2.725  -2.110
   55    H    SER   9           H        SER   9   9.021  -4.181   1.049
   56    HA   SER   9           HA       SER   9  10.753  -4.611  -1.261
   57   1HB   SER   9          2HB       SER   9  11.067  -4.500   1.583
   58   2HB   SER   9          1HB       SER   9  11.725  -6.046   0.974
   59    HG   SER   9           HG       SER   9  12.896  -4.932  -0.638
   60    H    GLU  10           H        GLU  10   8.273  -6.341   0.394
   61    HA   GLU  10           HA       GLU  10   9.429  -8.970  -0.382
   62   1HB   GLU  10          1HB       GLU  10   7.169  -8.678   1.505
   63   2HB   GLU  10          2HB       GLU  10   8.406  -9.802   1.428
   64   1HG   GLU  10          1HG       GLU  10   8.698  -8.690   3.428
   65   2HG   GLU  10          2HG       GLU  10  10.002  -8.285   2.274
   66    OH   TYR  11           OH       TYR  11   3.269  -6.167   2.517
   67    H    TYR  11           H        TYR  11   7.966  -7.298  -2.264
   68    HA   TYR  11           HA       TYR  11   5.482  -8.897  -2.635
   69   1HB   TYR  11          1HB       TYR  11   6.000  -5.915  -2.940
   70   2HB   TYR  11          2HB       TYR  11   4.505  -6.736  -3.467
   71    HD1  TYR  11           HD2      TYR  11   6.609  -6.009  -0.478
   72    HD2  TYR  11           HD1      TYR  11   2.842  -7.446  -1.817
   73    HE1  TYR  11           HE2      TYR  11   5.660  -5.565   1.747
   74    HE2  TYR  11           HE1      TYR  11   1.920  -7.155   0.442
   75    HH   TYR  11           HH       TYR  11   3.831  -6.904   3.089
   76    HA   PRO  12           HA       PRO  12   3.778  -8.250  -4.149
   77   1HB   PRO  12          1HB       PRO  12   2.766  -9.397  -6.456
   78   2HB   PRO  12          2HB       PRO  12   3.214  -7.672  -6.339
   79   1HG   PRO  12          1HG       PRO  12   4.427  -9.722  -7.962
   80   2HG   PRO  12          2HG       PRO  12   4.885  -8.000  -7.834
   81   1HD   PRO  12          2HD       PRO  12   6.101 -10.398  -6.489
   82   2HD   PRO  12          1HD       PRO  12   6.857  -8.840  -6.929
   83    H    LYS  13           H        LYS  13   2.044  -9.864  -3.896
   84    HA   LYS  13           HA       LYS  13   3.495 -11.865  -2.251
   85   1HB   LYS  13          1HB       LYS  13   0.897 -10.361  -1.907
   86   2HB   LYS  13          2HB       LYS  13   1.251 -11.849  -0.985
   87   1HG   LYS  13          2HG       LYS  13   3.552 -10.376  -0.613
   88   2HG   LYS  13          1HG       LYS  13   2.291  -9.109  -0.651
   89   1HD   LYS  13          1HD       LYS  13   1.892  -9.569   1.458
   90   2HD   LYS  13          2HD       LYS  13   1.205 -11.090   0.955
   91   1HE   LYS  13          1HE       LYS  13   2.705 -11.846   2.457
   92   2HE   LYS  13          2HE       LYS  13   3.745 -11.856   1.006
   93   1HZ   LYS  13          2HZ       LYS  13   3.519  -9.653   2.799
   94   2HZ   LYS  13          3HZ       LYS  13   4.643 -10.858   2.930
   95   3HZ   LYS  13          1HZ       LYS  13   4.612  -9.893   1.620
   96    HA   PRO  14           HA       PRO  14   0.653 -15.060  -4.078
   97   1HB   PRO  14          1HB       PRO  14   1.165 -16.906  -2.098
   98   2HB   PRO  14          2HB       PRO  14   2.359 -16.480  -3.355
   99   1HG   PRO  14          2HG       PRO  14   2.501 -16.001  -0.506
  100   2HG   PRO  14          1HG       PRO  14   3.712 -15.609  -1.758
  101   1HD   PRO  14          2HD       PRO  14   1.670 -13.827  -0.471
  102   2HD   PRO  14          1HD       PRO  14   3.228 -13.399  -1.224
  103    H    ALA  15           H        ALA  15  -0.615 -12.910  -3.171
  104    HA   ALA  15           HA       ALA  15  -2.880 -12.467  -2.955
  105   1HB   ALA  15          3HB       ALA  15  -3.351 -14.845  -3.723
  106   2HB   ALA  15          1HB       ALA  15  -3.348 -15.296  -1.999
  107   3HB   ALA  15          2HB       ALA  15  -4.526 -14.106  -2.606
  108    H    CYS  16           H        CYS  16  -4.301 -12.113  -1.113
  109    HA   CYS  16           HA       CYS  16  -2.509 -11.692   1.226
  110   1HB   CYS  16          2HB       CYS  16  -4.207  -9.673  -0.260
  111   2HB   CYS  16          1HB       CYS  16  -3.154  -9.353   1.149
  112    H    THR  17           H        THR  17  -3.652 -10.587   3.059
  113    HA   THR  17           HA       THR  17  -6.333 -11.665   3.607
  114    HB   THR  17           HB       THR  17  -6.051  -9.919   5.611
  115    HG1  THR  17           HG1      THR  17  -4.265  -9.413   6.025
  116   1HG2  THR  17          1HG2      THR  17  -5.619 -12.629   5.430
  117   2HG2  THR  17          2HG2      THR  17  -4.085 -12.031   6.112
  118   3HG2  THR  17          3HG2      THR  17  -5.627 -11.669   6.930
  119    H    LEU  18           H        LEU  18  -8.191 -10.490   3.582
  120    HA   LEU  18           HA       LEU  18  -8.010  -8.009   1.941
  121   1HB   LEU  18          2HB       LEU  18 -10.390  -8.916   1.258
  122   2HB   LEU  18          1HB       LEU  18  -8.886  -9.484   0.481
  123    HG   LEU  18           HG       LEU  18 -10.598 -11.239   0.930
  124   1HD1  LEU  18          1HD1      LEU  18  -7.861 -11.356   1.094
  125   2HD1  LEU  18          3HD1      LEU  18  -8.363 -12.123   2.622
  126   3HD1  LEU  18          2HD1      LEU  18  -8.963 -12.756   1.069
  127   1HD2  LEU  18          2HD2      LEU  18 -10.820 -10.027   3.380
  128   2HD2  LEU  18          3HD2      LEU  18 -11.400 -11.662   2.974
  129   3HD2  LEU  18          1HD2      LEU  18  -9.817 -11.451   3.761
  130    H    GLU  19           H        GLU  19  -7.976  -8.108   4.825
  131    HA   GLU  19           HA       GLU  19 -10.483  -6.722   5.587
  132   1HB   GLU  19          1HB       GLU  19  -9.701  -6.860   7.649
  133   2HB   GLU  19          2HB       GLU  19  -8.870  -8.139   6.966
  134   1HG   GLU  19          1HG       GLU  19  -7.433  -5.572   7.192
  135   2HG   GLU  19          2HG       GLU  19  -7.740  -6.652   8.581
  136    OH   TYR  20           OH       TYR  20 -10.844   1.966   0.505
  137    H    TYR  20           H        TYR  20 -10.647  -4.529   5.616
  138    HA   TYR  20           HA       TYR  20  -8.907  -3.321   3.592
  139   1HB   TYR  20          1HB       TYR  20 -11.333  -3.398   3.230
  140   2HB   TYR  20          2HB       TYR  20 -11.595  -2.406   4.693
  141    HD1  TYR  20           HD2      TYR  20  -9.963  -2.355   1.338
  142    HD2  TYR  20           HD1      TYR  20 -11.669  -0.057   4.483
  143    HE1  TYR  20           HE2      TYR  20 -10.084  -0.412  -0.159
  144    HE2  TYR  20           HE1      TYR  20 -11.664   1.932   3.039
  145    HH   TYR  20           HH       TYR  20 -11.708   1.819  -0.141
  146    NH1  ARG  21           NH1      ARG  21  -3.234  -1.317   8.817
  147    NH2  ARG  21           NH2      ARG  21  -3.431  -2.327  10.870
  148    H    ARG  21           H        ARG  21  -7.430  -1.884   3.969
  149    HA   ARG  21           HA       ARG  21  -7.856   0.161   5.991
  150   1HB   ARG  21          1HB       ARG  21  -5.586  -1.788   6.178
  151   2HB   ARG  21          2HB       ARG  21  -5.333  -0.077   6.626
  152   1HG   ARG  21          2HG       ARG  21  -7.698  -0.849   7.931
  153   2HG   ARG  21          1HG       ARG  21  -6.582  -2.229   8.122
  154   1HD   ARG  21          2HD       ARG  21  -5.156   0.220   8.526
  155   2HD   ARG  21          1HD       ARG  21  -6.632   0.214   9.529
  156    HE   ARG  21           HE       ARG  21  -5.820  -1.693  10.678
  157   1HH1  ARG  21          2HH1      ARG  21  -3.640  -0.822   8.049
  158   2HH1  ARG  21          1HH1      ARG  21  -2.271  -1.586   8.785
  159   1HH2  ARG  21          2HH2      ARG  21  -3.984  -2.585  11.661
  160   2HH2  ARG  21          1HH2      ARG  21  -2.466  -2.590  10.826
  161    HA   PRO  22           HA       PRO  22  -6.618   0.895   1.590
  162   1HB   PRO  22          1HB       PRO  22  -7.670   3.432   1.413
  163   2HB   PRO  22          2HB       PRO  22  -8.692   1.966   1.377
  164   1HG   PRO  22          2HG       PRO  22  -8.175   3.900   3.625
  165   2HG   PRO  22          1HG       PRO  22  -9.681   3.051   3.178
  166   1HD   PRO  22          2HD       PRO  22  -8.062   2.265   5.291
  167   2HD   PRO  22          1HD       PRO  22  -9.114   1.139   4.395
  168    H    LEU  23           H        LEU  23  -4.983   1.568   0.526
  169    HA   LEU  23           HA       LEU  23  -3.573   3.952   1.620
  170   1HB   LEU  23          1HB       LEU  23  -2.330   1.416   0.518
  171   2HB   LEU  23          2HB       LEU  23  -1.452   2.912   0.937
  172    HG   LEU  23           HG       LEU  23  -2.855   2.292   3.251
  173   1HD1  LEU  23          3HD1      LEU  23  -2.925  -0.035   1.763
  174   2HD1  LEU  23          2HD1      LEU  23  -1.500  -0.264   2.810
  175   3HD1  LEU  23          1HD1      LEU  23  -3.089   0.094   3.532
  176   1HD2  LEU  23          2HD2      LEU  23  -0.547   3.113   3.047
  177   2HD2  LEU  23          3HD2      LEU  23  -0.638   1.692   4.120
  178   3HD2  LEU  23          1HD2      LEU  23  -0.024   1.515   2.457
  179    H    CYS  24           H        CYS  24  -3.315   5.531   0.224
  180    HA   CYS  24           HA       CYS  24  -4.311   5.064  -2.529
  181   1HB   CYS  24          2HB       CYS  24  -5.340   6.802  -0.984
  182   2HB   CYS  24          1HB       CYS  24  -3.833   7.733  -1.210
  183    H    GLY  25           H        GLY  25  -3.196   5.798  -4.321
  184   1HA   GLY  25          2HA       GLY  25  -0.272   6.021  -3.883
  185   2HA   GLY  25          1HA       GLY  25  -1.085   5.387  -5.337
  186    H    SER  26           H        SER  26   0.762   7.022  -6.018
  187    HA   SER  26           HA       SER  26   0.181   9.771  -5.836
  188   1HB   SER  26          2HB       SER  26   2.422   8.904  -6.204
  189   2HB   SER  26          1HB       SER  26   1.956   8.330  -7.831
  190    HG   SER  26           HG       SER  26   2.099  11.007  -6.712
  191    H    ASP  27           H        ASP  27  -0.374   7.443  -8.478
  192    HA   ASP  27           HA       ASP  27  -1.804   9.217 -10.186
  193   1HB   ASP  27          2HB       ASP  27  -2.888   7.067 -11.001
  194   2HB   ASP  27          1HB       ASP  27  -1.123   7.276 -11.196
  195    H    ASN  28           H        ASN  28  -2.535   7.918  -7.104
  196    HA   ASN  28           HA       ASN  28  -4.185   8.554  -5.672
  197   1HB   ASN  28          1HB       ASN  28  -4.169  10.744  -6.807
  198   2HB   ASN  28          2HB       ASN  28  -5.442  10.142  -7.907
  199   1HD2  ASN  28          2HD2      ASN  28  -8.041  10.895  -5.748
  200   2HD2  ASN  28          1HD2      ASN  28  -7.449  10.668  -7.360
  201    H    LYS  29           H        LYS  29  -4.114   6.247  -7.501
  202    HA   LYS  29           HA       LYS  29  -6.896   5.317  -7.400
  203   1HB   LYS  29          1HB       LYS  29  -4.605   4.361  -8.612
  204   2HB   LYS  29          2HB       LYS  29  -4.778   3.291  -7.194
  205   1HG   LYS  29          1HG       LYS  29  -7.170   2.887  -7.913
  206   2HG   LYS  29          2HG       LYS  29  -6.789   3.771  -9.419
  207   1HD   LYS  29          2HD       LYS  29  -5.603   1.176  -8.449
  208   2HD   LYS  29          1HD       LYS  29  -6.646   1.438  -9.821
  209   1HE   LYS  29          1HE       LYS  29  -4.845   2.988 -10.725
  210   2HE   LYS  29          2HE       LYS  29  -3.777   2.258  -9.496
  211   1HZ   LYS  29          2HZ       LYS  29  -4.510   0.180 -10.406
  212   2HZ   LYS  29          3HZ       LYS  29  -5.121   1.038 -11.681
  213   3HZ   LYS  29          1HZ       LYS  29  -3.532   1.083 -11.339
  214    H    THR  30           H        THR  30  -7.554   3.666  -5.885
  215    HA   THR  30           HA       THR  30  -6.210   3.913  -3.238
  216    HB   THR  30           HB       THR  30  -8.699   2.456  -3.018
  217    HG1  THR  30           HG1      THR  30  -8.771   4.963  -4.105
  218   1HG2  THR  30          1HG2      THR  30  -7.453   4.831  -1.795
  219   2HG2  THR  30          2HG2      THR  30  -9.234   4.777  -1.737
  220   3HG2  THR  30          3HG2      THR  30  -8.280   3.430  -1.066
  221    OH   TYR  31           OH       TYR  31  -2.679   0.001  -8.311
  222    H    TYR  31           H        TYR  31  -5.919   1.984  -2.028
  223    HA   TYR  31           HA       TYR  31  -6.042  -0.545  -3.602
  224   1HB   TYR  31          1HB       TYR  31  -3.714   0.854  -2.333
  225   2HB   TYR  31          2HB       TYR  31  -3.762  -0.932  -2.298
  226    HD1  TYR  31           HD2      TYR  31  -4.495  -1.951  -4.699
  227    HD2  TYR  31           HD1      TYR  31  -2.655   1.846  -4.165
  228    HE1  TYR  31           HE2      TYR  31  -3.894  -1.916  -7.078
  229    HE2  TYR  31           HE1      TYR  31  -2.031   1.884  -6.542
  230    HH   TYR  31           HH       TYR  31  -3.596  -0.349  -8.780
  231    H    GLY  32           H        GLY  32  -6.392  -2.401  -2.500
  232   1HA   GLY  32          1HA       GLY  32  -8.071  -2.336  -0.414
  233   2HA   GLY  32          2HA       GLY  32  -7.125  -3.795  -0.807
  234    H    ASN  33           H        ASN  33  -4.554  -2.877  -0.148
  235    HA   ASN  33           HA       ASN  33  -4.377  -1.386   2.141
  236   1HB   ASN  33          2HB       ASN  33  -4.085  -2.739   3.993
  237   2HB   ASN  33          1HB       ASN  33  -5.558  -3.351   3.191
  238   1HD2  ASN  33          2HD2      ASN  33  -4.188  -6.494   2.295
  239   2HD2  ASN  33          1HD2      ASN  33  -5.125  -5.212   1.599
  240    H    LYS  34           H        LYS  34  -2.122  -2.640   3.392
  241    HA   LYS  34           HA       LYS  34  -0.146  -1.527   1.722
  242   1HB   LYS  34          1HB       LYS  34   1.481  -2.719   3.261
  243   2HB   LYS  34          2HB       LYS  34   0.331  -1.581   4.020
  244   1HG   LYS  34          2HG       LYS  34  -0.026  -3.243   5.495
  245   2HG   LYS  34          1HG       LYS  34  -1.032  -3.965   4.205
  246   1HD   LYS  34          1HD       LYS  34   0.530  -5.536   5.243
  247   2HD   LYS  34          2HD       LYS  34   0.745  -5.384   3.520
  248   1HE   LYS  34          1HE       LYS  34   2.767  -4.323   3.717
  249   2HE   LYS  34          2HE       LYS  34   2.394  -3.674   5.337
  250   1HZ   LYS  34          3HZ       LYS  34   2.731  -6.446   4.778
  251   2HZ   LYS  34          1HZ       LYS  34   3.963  -5.463   5.180
  252   3HZ   LYS  34          2HZ       LYS  34   2.736  -5.652   6.230
  253    H    CYS  35           H        CYS  35  -1.473  -4.741   1.855
  254    HA   CYS  35           HA       CYS  35   0.567  -5.939   0.286
  255   1HB   CYS  35          2HB       CYS  35  -1.284  -6.992   1.768
  256   2HB   CYS  35          1HB       CYS  35  -2.271  -6.924   0.279
  257    H    ASN  36           H        ASN  36  -2.787  -5.095  -0.685
  258    HA   ASN  36           HA       ASN  36  -2.188  -5.454  -3.410
  259   1HB   ASN  36          2HB       ASN  36  -4.548  -4.174  -2.042
  260   2HB   ASN  36          1HB       ASN  36  -4.433  -4.422  -3.808
  261   1HD2  ASN  36          2HD2      ASN  36  -4.846  -7.654  -1.257
  262   2HD2  ASN  36          1HD2      ASN  36  -4.396  -6.093  -0.654
  263    H    PHE  37           H        PHE  37  -1.789  -2.720  -1.350
  264    HA   PHE  37           HA       PHE  37  -1.338  -0.775  -3.446
  265   1HB   PHE  37          1HB       PHE  37  -1.684   0.147  -1.297
  266   2HB   PHE  37          2HB       PHE  37  -0.499  -0.931  -0.522
  267    HD1  PHE  37           HD1      PHE  37  -0.703   1.621  -3.196
  268    HD2  PHE  37           HD2      PHE  37   1.594   0.072   0.043
  269    HE1  PHE  37           HE1      PHE  37   1.042   3.289  -3.656
  270    HE2  PHE  37           HE2      PHE  37   3.181   1.961  -0.184
  271    HZ   PHE  37           HZ       PHE  37   2.986   3.462  -2.149
  272    H    CYS  38           H        CYS  38   0.886  -2.728  -1.401
  273    HA   CYS  38           HA       CYS  38   3.117  -1.809  -2.830
  274   1HB   CYS  38          2HB       CYS  38   2.733  -4.015  -0.817
  275   2HB   CYS  38          1HB       CYS  38   4.311  -3.728  -1.603
  276    H    ASN  39           H        ASN  39   0.998  -4.461  -3.474
  277    HA   ASN  39           HA       ASN  39   2.675  -5.869  -5.327
  278   1HB   ASN  39          2HB       ASN  39  -0.336  -5.629  -5.265
  279   2HB   ASN  39          1HB       ASN  39   0.621  -6.775  -6.247
  280   1HD2  ASN  39          2HD2      ASN  39  -0.670  -8.308  -3.013
  281   2HD2  ASN  39          1HD2      ASN  39  -1.435  -7.350  -4.238
  282    H    ALA  40           H        ALA  40   0.291  -3.239  -5.707
  283    HA   ALA  40           HA       ALA  40   0.637  -3.121  -8.547
  284   1HB   ALA  40          1HB       ALA  40  -0.674  -1.309  -6.516
  285   2HB   ALA  40          2HB       ALA  40  -0.636  -0.942  -8.259
  286   3HB   ALA  40          3HB       ALA  40  -1.435  -2.424  -7.679
  287    H    VAL  41           H        VAL  41   2.263  -1.652  -5.837
  288    HA   VAL  41           HA       VAL  41   3.743   0.272  -7.367
  289    HB   VAL  41           HB       VAL  41   4.351  -1.075  -4.727
  290   1HG1  VAL  41          3HG1      VAL  41   5.881   0.904  -6.304
  291   2HG1  VAL  41          2HG1      VAL  41   5.663   1.284  -4.579
  292   3HG1  VAL  41          1HG1      VAL  41   6.419  -0.253  -5.063
  293   1HG2  VAL  41          1HG2      VAL  41   2.395   0.829  -5.417
  294   2HG2  VAL  41          3HG2      VAL  41   2.887   0.290  -3.793
  295   3HG2  VAL  41          2HG2      VAL  41   3.669   1.707  -4.535
  296    H    VAL  42           H        VAL  42   4.681  -2.940  -6.072
  297    HA   VAL  42           HA       VAL  42   7.161  -2.881  -7.342
  298    HB   VAL  42           HB       VAL  42   6.787  -4.135  -5.364
  299   1HG1  VAL  42          1HG1      VAL  42   4.383  -4.907  -6.312
  300   2HG1  VAL  42          3HG1      VAL  42   5.319  -6.396  -6.589
  301   3HG1  VAL  42          2HG1      VAL  42   5.220  -5.697  -4.954
  302   1HG2  VAL  42          3HG2      VAL  42   8.220  -5.067  -7.529
  303   2HG2  VAL  42          2HG2      VAL  42   8.364  -5.627  -5.845
  304   3HG2  VAL  42          1HG2      VAL  42   7.316  -6.503  -6.987
  305    H    GLU  43           H        GLU  43   4.083  -3.784  -8.606
  306    HA   GLU  43           HA       GLU  43   4.988  -5.180 -11.001
  307   1HB   GLU  43          2HB       GLU  43   2.709  -4.667  -9.718
  308   2HB   GLU  43          1HB       GLU  43   2.617  -3.377 -10.779
  309   1HG   GLU  43          1HG       GLU  43   1.847  -4.704 -12.427
  310   2HG   GLU  43          2HG       GLU  43   3.150  -5.873 -12.072
  311    H    SER  44           H        SER  44   3.996  -1.840 -10.153
  312    HA   SER  44           HA       SER  44   4.397  -0.816 -12.767
  313   1HB   SER  44          2HB       SER  44   4.118   1.369 -11.828
  314   2HB   SER  44          1HB       SER  44   2.934   0.245 -11.106
  315    HG   SER  44           HG       SER  44   3.614   0.626  -9.228
  316    H    ASN  45           H        ASN  45   6.637  -1.584 -10.279
  317    HA   ASN  45           HA       ASN  45   8.891  -1.405 -10.142
  318   1HB   ASN  45          2HB       ASN  45   8.433  -1.372 -12.894
  319   2HB   ASN  45          1HB       ASN  45   9.564  -0.027 -12.572
  320   1HD2  ASN  45          2HD2      ASN  45  11.540  -3.116 -13.195
  321   2HD2  ASN  45          1HD2      ASN  45  10.364  -2.204 -14.082
  322    H    GLY  46           H        GLY  46   7.534   0.278  -8.723
  323   1HA   GLY  46          2HA       GLY  46   8.449   1.837  -7.266
  324   2HA   GLY  46          1HA       GLY  46   9.556   2.379  -8.557
  325    H    THR  47           H        THR  47   7.138   2.572 -10.408
  326    HA   THR  47           HA       THR  47   7.251   5.379 -10.218
  327    HB   THR  47           HB       THR  47   7.062   3.977 -12.363
  328    HG1  THR  47           HG1      THR  47   6.369   5.478 -13.300
  329   1HG2  THR  47          3HG2      THR  47   4.595   3.166 -11.317
  330   2HG2  THR  47          1HG2      THR  47   4.198   4.309 -12.625
  331   3HG2  THR  47          2HG2      THR  47   5.220   2.889 -12.962
  332    H    LEU  48           H        LEU  48   4.784   3.070  -9.248
  333    HA   LEU  48           HA       LEU  48   2.922   5.192  -8.396
  334   1HB   LEU  48          1HB       LEU  48   1.878   3.255  -9.199
  335   2HB   LEU  48          2HB       LEU  48   3.001   2.177  -8.320
  336    HG   LEU  48           HG       LEU  48   1.920   3.108  -6.188
  337   1HD1  LEU  48          2HD1      LEU  48   0.741   4.958  -7.472
  338   2HD1  LEU  48          3HD1      LEU  48  -0.343   3.697  -8.111
  339   3HD1  LEU  48          1HD1      LEU  48  -0.272   4.007  -6.358
  340   1HD2  LEU  48          3HD2      LEU  48   1.563   0.894  -7.662
  341   2HD2  LEU  48          1HD2      LEU  48   0.639   1.222  -6.175
  342   3HD2  LEU  48          2HD2      LEU  48  -0.082   1.567  -7.767
  343    H    THR  49           H        THR  49   2.844   6.012  -6.407
  344    HA   THR  49           HA       THR  49   4.573   4.877  -4.276
  345    HB   THR  49           HB       THR  49   5.594   7.132  -3.919
  346    HG1  THR  49           HG1      THR  49   4.433   7.541  -6.359
  347   1HG2  THR  49          3HG2      THR  49   6.605   5.301  -5.454
  348   2HG2  THR  49          2HG2      THR  49   6.250   6.453  -6.768
  349   3HG2  THR  49          1HG2      THR  49   7.312   6.937  -5.421
  350    H    LEU  50           H        LEU  50   4.253   5.836  -2.201
  351    HA   LEU  50           HA       LEU  50   1.423   6.010  -1.795
  352   1HB   LEU  50          1HB       LEU  50   3.111   4.563  -0.641
  353   2HB   LEU  50          2HB       LEU  50   3.713   6.021   0.194
  354    HG   LEU  50           HG       LEU  50   1.581   6.249   1.370
  355   1HD1  LEU  50          1HD1      LEU  50   0.201   5.231  -0.490
  356   2HD1  LEU  50          2HD1      LEU  50   0.768   3.639   0.072
  357   3HD1  LEU  50          3HD1      LEU  50  -0.190   4.677   1.158
  358   1HD2  LEU  50          2HD2      LEU  50   3.537   4.587   1.953
  359   2HD2  LEU  50          1HD2      LEU  50   2.015   4.567   2.881
  360   3HD2  LEU  50          3HD2      LEU  50   2.301   3.349   1.613
  361    H    SER  51           H        SER  51   0.217   7.732  -1.507
  362    HA   SER  51           HA       SER  51   1.575  10.362  -1.201
  363   1HB   SER  51          2HB       SER  51  -0.016   9.971  -3.143
  364   2HB   SER  51          1HB       SER  51  -1.326   9.931  -1.928
  365    HG   SER  51           HG       SER  51  -1.022  11.965  -1.321
  366    H    HIS  52           H        HIS  52  -0.738   8.098   0.174
  367    HA   HIS  52           HA       HIS  52  -0.008   8.860   2.827
  368   1HB   HIS  52          2HB       HIS  52  -2.253   9.664   3.596
  369   2HB   HIS  52          1HB       HIS  52  -1.376  10.831   2.563
  370    HD1  HIS  52           HD1      HIS  52  -4.702   9.577   2.982
  371    HD2  HIS  52           HD2      HIS  52  -2.254  10.157  -0.337
  372    HE1  HIS  52           HE1      HIS  52  -6.199   9.488   0.975
  373    HE2  HIS  52           HE2      HIS  52  -4.734   9.912  -1.031
  374    H    PHE  53           H        PHE  53  -0.909   7.520   4.391
  375    HA   PHE  53           HA       PHE  53  -2.093   5.020   3.661
  376   1HB   PHE  53          1HB       PHE  53  -2.061   6.496   6.325
  377   2HB   PHE  53          2HB       PHE  53  -2.768   4.873   6.084
  378    HD1  PHE  53           HD2      PHE  53   0.508   6.516   5.048
  379    HD2  PHE  53           HD1      PHE  53  -1.518   3.281   6.947
  380    HE1  PHE  53           HE2      PHE  53   2.673   5.641   5.891
  381    HE2  PHE  53           HE1      PHE  53   0.633   2.153   7.336
  382    HZ   PHE  53           HZ       PHE  53   2.732   3.378   6.907
  383    H    GLY  54           H        GLY  54  -4.269   4.461   4.864
  384   1HA   GLY  54          1HA       GLY  54  -6.571   4.593   4.770
  385   2HA   GLY  54          2HA       GLY  54  -6.404   6.364   4.894
  386    H    LYS  55           H        LYS  55  -8.291   6.203   3.402
  387    HA   LYS  55           HA       LYS  55  -7.654   5.234   0.661
  388   1HB   LYS  55          2HB       LYS  55 -10.105   5.485   0.274
  389   2HB   LYS  55          1HB       LYS  55  -9.658   4.253   1.488
  390   1HG   LYS  55          1HG       LYS  55 -11.091   5.204   2.915
  391   2HG   LYS  55          2HG       LYS  55 -10.067   6.668   2.915
  392   1HD   LYS  55          1HD       LYS  55 -11.785   6.486   0.582
  393   2HD   LYS  55          2HD       LYS  55 -12.705   6.463   2.063
  394   1HE   LYS  55          2HE       LYS  55 -11.100   8.485   2.681
  395   2HE   LYS  55          1HE       LYS  55 -10.944   8.567   0.905
  396   1HZ   LYS  55          3HZ       LYS  55 -13.444   8.442   2.257
  397   2HZ   LYS  55          1HZ       LYS  55 -12.674   9.842   1.957
  398   3HZ   LYS  55          2HZ       LYS  55 -13.100   8.897   0.705
  399    H    CYS  56           H        CYS  56  -8.545   6.527  -1.124
  400    HA   CYS  56           HA       CYS  56  -7.125   8.936  -1.077
  401   1HB   CYS  56          1HB       CYS  56  -9.233   8.095  -3.083
  402   2HB   CYS  56          2HB       CYS  56  -7.957   9.326  -3.313
   
  Start of MODEL           6
 Raw file had 402 H/Q atoms
  Start of MODEL    6
    1   1H    LEU   1          2H        LEU   1   4.050  16.928   8.110
    2   2H    LEU   1          1H        LEU   1   3.282  16.525   9.494
    3   3H    LEU   1          3H        LEU   1   4.744  15.882   9.153
    4    HA   LEU   1           HA       LEU   1   3.333  14.175   8.696
    5   1HB   LEU   1          2HB       LEU   1   1.637  16.493   7.964
    6   2HB   LEU   1          1HB       LEU   1   1.370  15.005   7.012
    7    HG   LEU   1           HG       LEU   1  -0.212  15.155   8.833
    8   1HD1  LEU   1          1HD2      LEU   1   0.914  12.990   8.044
    9   2HD1  LEU   1          3HD2      LEU   1   1.846  13.063   9.560
   10   3HD1  LEU   1          2HD2      LEU   1   0.069  12.948   9.612
   11   1HD2  LEU   1          2HD1      LEU   1   2.279  15.306  10.552
   12   2HD2  LEU   1          3HD1      LEU   1   0.944  16.481  10.447
   13   3HD2  LEU   1          1HD1      LEU   1   0.669  14.883  11.186
   14    H    ALA   2           H        ALA   2   5.712  14.956   7.631
   15    HA   ALA   2           HA       ALA   2   5.360  14.989   4.690
   16   1HB   ALA   2          3HB       ALA   2   6.716  16.674   6.296
   17   2HB   ALA   2          1HB       ALA   2   8.007  15.504   5.919
   18   3HB   ALA   2          2HB       ALA   2   7.155  16.346   4.601
   19    H    ALA   3           H        ALA   3   5.051  12.520   6.051
   20    HA   ALA   3           HA       ALA   3   6.598  11.038   4.201
   21   1HB   ALA   3          1HB       ALA   3   8.177  11.441   6.289
   22   2HB   ALA   3          3HB       ALA   3   7.237  10.081   6.956
   23   3HB   ALA   3          2HB       ALA   3   8.132   9.882   5.427
   24    H    VAL   4           H        VAL   4   5.526   9.260   3.667
   25    HA   VAL   4           HA       VAL   4   4.367   7.655   5.753
   26    HB   VAL   4           HB       VAL   4   2.181   7.321   4.838
   27   1HG1  VAL   4          3HG1      VAL   4   2.736  10.274   5.229
   28   2HG1  VAL   4          1HG1      VAL   4   1.131   9.509   5.278
   29   3HG1  VAL   4          2HG1      VAL   4   2.358   9.078   6.492
   30   1HG2  VAL   4          3HG2      VAL   4   3.238   8.488   2.480
   31   2HG2  VAL   4          1HG2      VAL   4   1.641   7.748   2.742
   32   3HG2  VAL   4          2HG2      VAL   4   1.868   9.492   3.012
   33    H    SER   5           H        SER   5   4.953   5.660   5.417
   34    HA   SER   5           HA       SER   5   5.297   4.563   2.733
   35   1HB   SER   5          2HB       SER   5   7.793   4.004   3.784
   36   2HB   SER   5          1HB       SER   5   7.419   5.154   2.469
   37    HG   SER   5           HG       SER   5   7.577   6.851   3.696
   38    H    VAL   6           H        VAL   6   3.916   2.987   3.272
   39    HA   VAL   6           HA       VAL   6   4.472   0.988   5.296
   40    HB   VAL   6           HB       VAL   6   2.961   0.942   2.677
   41   1HG1  VAL   6          3HG1      VAL   6   3.282  -1.230   4.753
   42   2HG1  VAL   6          1HG1      VAL   6   1.912  -1.173   3.618
   43   3HG1  VAL   6          2HG1      VAL   6   3.575  -1.311   2.999
   44   1HG2  VAL   6          1HG2      VAL   6   2.098   1.241   5.551
   45   2HG2  VAL   6          3HG2      VAL   6   1.822   2.342   4.181
   46   3HG2  VAL   6          2HG2      VAL   6   0.978   0.777   4.248
   47    H    ASP   7           H        ASP   7   5.222  -1.205   4.624
   48    HA   ASP   7           HA       ASP   7   7.624  -0.855   2.954
   49   1HB   ASP   7          2HB       ASP   7   7.389  -1.724   5.504
   50   2HB   ASP   7          1HB       ASP   7   7.425  -3.271   4.611
   51    H    CYS   8           H        CYS   8   8.082  -1.975   1.206
   52    HA   CYS   8           HA       CYS   8   5.937  -3.799   0.233
   53   1HB   CYS   8          2HB       CYS   8   7.403  -1.670  -1.345
   54   2HB   CYS   8          1HB       CYS   8   6.092  -2.739  -1.918
   55    H    SER   9           H        SER   9   8.635  -4.363   1.408
   56    HA   SER   9           HA       SER   9  10.505  -4.802  -0.784
   57   1HB   SER   9          2HB       SER   9  10.632  -4.719   2.068
   58   2HB   SER   9          1HB       SER   9  11.282  -6.286   1.504
   59    HG   SER   9           HG       SER   9  12.071  -3.567   1.082
   60    H    GLU  10           H        GLU  10   7.885  -6.517   0.650
   61    HA   GLU  10           HA       GLU  10   9.103  -9.155   0.033
   62   1HB   GLU  10          1HB       GLU  10   6.662  -8.802   1.676
   63   2HB   GLU  10          2HB       GLU  10   7.873  -9.955   1.737
   64   1HG   GLU  10          1HG       GLU  10   8.000  -8.818   3.738
   65   2HG   GLU  10          2HG       GLU  10   9.417  -8.460   2.710
   66    OH   TYR  11           OH       TYR  11   2.759  -6.518   2.303
   67    H    TYR  11           H        TYR  11   7.786  -7.487  -1.999
   68    HA   TYR  11           HA       TYR  11   5.402  -9.166  -2.595
   69   1HB   TYR  11          1HB       TYR  11   5.891  -6.185  -2.953
   70   2HB   TYR  11          2HB       TYR  11   4.466  -7.058  -3.580
   71    HD1  TYR  11           HD2      TYR  11   6.267  -6.118  -0.469
   72    HD2  TYR  11           HD1      TYR  11   2.706  -7.818  -2.045
   73    HE1  TYR  11           HE2      TYR  11   5.166  -5.799   1.702
   74    HE2  TYR  11           HE1      TYR  11   1.627  -7.614   0.153
   75    HH   TYR  11           HH       TYR  11   2.211  -7.448   2.441
   76    HA   PRO  12           HA       PRO  12   3.875  -8.664  -4.270
   77   1HB   PRO  12          1HB       PRO  12   3.115  -9.754  -6.684
   78   2HB   PRO  12          2HB       PRO  12   3.607  -8.047  -6.508
   79   1HG   PRO  12          2HG       PRO  12   4.940 -10.159  -7.969
   80   2HG   PRO  12          1HG       PRO  12   5.408  -8.441  -7.829
   81   1HD   PRO  12          1HD       PRO  12   6.446 -10.822  -6.324
   82   2HD   PRO  12          2HD       PRO  12   7.248  -9.268  -6.686
   83    H    LYS  13           H        LYS  13   2.135 -10.227  -4.123
   84    HA   LYS  13           HA       LYS  13   3.342 -12.687  -2.936
   85   1HB   LYS  13          1HB       LYS  13   1.000 -11.070  -1.876
   86   2HB   LYS  13          2HB       LYS  13   1.582 -12.632  -1.231
   87   1HG   LYS  13          1HG       LYS  13   3.859 -11.362  -0.951
   88   2HG   LYS  13          2HG       LYS  13   2.842  -9.896  -1.059
   89   1HD   LYS  13          1HD       LYS  13   2.439 -10.061   1.066
   90   2HD   LYS  13          2HD       LYS  13   1.476 -11.477   0.740
   91   1HE   LYS  13          1HE       LYS  13   2.894 -12.225   2.365
   92   2HE   LYS  13          2HE       LYS  13   3.740 -12.752   0.885
   93   1HZ   LYS  13          2HZ       LYS  13   4.874 -10.661   1.050
   94   2HZ   LYS  13          3HZ       LYS  13   4.273 -10.539   2.586
   95   3HZ   LYS  13          1HZ       LYS  13   5.238 -11.782   2.171
   96    HA   PRO  14           HA       PRO  14  -0.344 -14.510  -5.077
   97   1HB   PRO  14          1HB       PRO  14   0.459 -17.060  -4.477
   98   2HB   PRO  14          2HB       PRO  14   1.335 -16.036  -5.648
   99   1HG   PRO  14          2HG       PRO  14   2.230 -17.007  -3.056
  100   2HG   PRO  14          1HG       PRO  14   3.147 -16.088  -4.283
  101   1HD   PRO  14          2HD       PRO  14   1.781 -15.104  -1.810
  102   2HD   PRO  14          1HD       PRO  14   3.128 -14.377  -2.728
  103    H    ALA  15           H        ALA  15  -0.490 -13.335  -2.352
  104    HA   ALA  15           HA       ALA  15  -3.169 -13.968  -2.060
  105   1HB   ALA  15          1HB       ALA  15  -1.406 -15.505  -0.148
  106   2HB   ALA  15          2HB       ALA  15  -3.107 -15.106   0.207
  107   3HB   ALA  15          3HB       ALA  15  -2.704 -16.112  -1.208
  108    H    CYS  16           H        CYS  16  -4.188 -12.826  -0.323
  109    HA   CYS  16           HA       CYS  16  -2.449 -10.769   0.942
  110   1HB   CYS  16          2HB       CYS  16  -4.954 -10.235  -0.676
  111   2HB   CYS  16          1HB       CYS  16  -3.954  -9.033   0.187
  112    H    THR  17           H        THR  17  -3.067 -10.054   2.887
  113    HA   THR  17           HA       THR  17  -4.984 -11.236   4.464
  114    HB   THR  17           HB       THR  17  -4.985  -9.114   5.868
  115    HG1  THR  17           HG1      THR  17  -3.188  -8.463   3.915
  116   1HG2  THR  17          2HG2      THR  17  -2.643 -10.762   5.246
  117   2HG2  THR  17          1HG2      THR  17  -2.252  -9.186   5.979
  118   3HG2  THR  17          3HG2      THR  17  -3.372 -10.298   6.805
  119    H    LEU  18           H        LEU  18  -7.040 -10.650   5.229
  120    HA   LEU  18           HA       LEU  18  -8.733  -9.424   3.274
  121   1HB   LEU  18          2HB       LEU  18  -9.083 -10.723   5.979
  122   2HB   LEU  18          1HB       LEU  18 -10.464 -10.052   5.064
  123    HG   LEU  18           HG       LEU  18 -10.222 -12.500   4.845
  124   1HD1  LEU  18          3HD1      LEU  18 -11.271 -11.143   3.068
  125   2HD1  LEU  18          2HD1      LEU  18  -9.678 -10.947   2.292
  126   3HD1  LEU  18          1HD1      LEU  18 -10.421 -12.562   2.407
  127   1HD2  LEU  18          3HD2      LEU  18  -7.747 -12.503   5.000
  128   2HD2  LEU  18          2HD2      LEU  18  -8.351 -13.404   3.586
  129   3HD2  LEU  18          1HD2      LEU  18  -7.668 -11.772   3.377
  130    H    GLU  19           H        GLU  19  -7.698  -8.558   6.564
  131    HA   GLU  19           HA       GLU  19  -9.661  -6.662   7.104
  132   1HB   GLU  19          1HB       GLU  19  -8.426  -6.177   8.956
  133   2HB   GLU  19          2HB       GLU  19  -8.102  -7.774   8.577
  134   1HG   GLU  19          1HG       GLU  19  -6.044  -5.996   7.576
  135   2HG   GLU  19          2HG       GLU  19  -6.327  -6.038   9.339
  136    OH   TYR  20           OH       TYR  20 -11.449   0.804   0.598
  137    H    TYR  20           H        TYR  20  -9.981  -4.572   6.679
  138    HA   TYR  20           HA       TYR  20  -8.511  -3.721   4.290
  139   1HB   TYR  20          1HB       TYR  20 -10.890  -4.064   4.064
  140   2HB   TYR  20          2HB       TYR  20 -11.232  -2.938   5.407
  141    HD1  TYR  20           HD2      TYR  20  -9.671  -3.065   2.016
  142    HD2  TYR  20           HD1      TYR  20 -11.888  -0.774   4.831
  143    HE1  TYR  20           HE2      TYR  20  -9.970  -1.299   0.334
  144    HE2  TYR  20           HE1      TYR  20 -12.323   0.928   3.111
  145    HH   TYR  20           HH       TYR  20 -12.462   0.622   0.248
  146    NH1  ARG  21           NH1      ARG  21  -3.414   0.112  10.583
  147    NH2  ARG  21           NH2      ARG  21  -4.998   1.775  10.644
  148    H    ARG  21           H        ARG  21  -7.037  -2.237   4.365
  149    HA   ARG  21           HA       ARG  21  -7.607   0.224   5.818
  150   1HB   ARG  21          1HB       ARG  21  -4.740  -0.585   5.932
  151   2HB   ARG  21          2HB       ARG  21  -5.689   0.476   7.012
  152   1HG   ARG  21          1HG       ARG  21  -6.839  -1.720   7.781
  153   2HG   ARG  21          2HG       ARG  21  -5.439  -2.530   7.023
  154   1HD   ARG  21          2HD       ARG  21  -5.080  -2.166   9.393
  155   2HD   ARG  21          1HD       ARG  21  -3.926  -1.230   8.404
  156    HE   ARG  21           HE       ARG  21  -6.321   0.227   9.228
  157   1HH1  ARG  21          2HH1      ARG  21  -3.105  -0.784  10.262
  158   2HH1  ARG  21          1HH1      ARG  21  -2.842   0.644  11.205
  159   1HH2  ARG  21          2HH2      ARG  21  -5.888   2.138  10.367
  160   2HH2  ARG  21          1HH2      ARG  21  -4.417   2.297  11.267
  161    HA   PRO  22           HA       PRO  22  -6.497   0.567   1.255
  162   1HB   PRO  22          1HB       PRO  22  -7.752   3.170   1.458
  163   2HB   PRO  22          2HB       PRO  22  -8.388   1.701   0.666
  164   1HG   PRO  22          2HG       PRO  22  -8.956   2.798   3.388
  165   2HG   PRO  22          1HG       PRO  22  -9.980   1.789   2.326
  166   1HD   PRO  22          2HD       PRO  22  -8.833   0.709   4.530
  167   2HD   PRO  22          1HD       PRO  22  -8.861  -0.234   3.009
  168    H    LEU  23           H        LEU  23  -4.977   1.490   0.159
  169    HA   LEU  23           HA       LEU  23  -3.647   3.843   1.398
  170   1HB   LEU  23          1HB       LEU  23  -2.317   1.366   0.265
  171   2HB   LEU  23          2HB       LEU  23  -1.480   2.867   0.747
  172    HG   LEU  23           HG       LEU  23  -2.909   2.175   3.012
  173   1HD1  LEU  23          1HD1      LEU  23  -3.169  -0.075   1.600
  174   2HD1  LEU  23          2HD1      LEU  23  -1.553  -0.377   2.285
  175   3HD1  LEU  23          3HD1      LEU  23  -2.934  -0.068   3.366
  176   1HD2  LEU  23          2HD2      LEU  23  -0.586   2.991   2.836
  177   2HD2  LEU  23          1HD2      LEU  23  -0.714   1.571   3.907
  178   3HD2  LEU  23          3HD2      LEU  23  -0.072   1.386   2.255
  179    H    CYS  24           H        CYS  24  -3.461   5.475   0.043
  180    HA   CYS  24           HA       CYS  24  -4.381   5.002  -2.742
  181   1HB   CYS  24          2HB       CYS  24  -5.477   6.717  -1.102
  182   2HB   CYS  24          1HB       CYS  24  -4.067   7.726  -1.524
  183    H    GLY  25           H        GLY  25  -3.167   5.551  -4.462
  184   1HA   GLY  25          2HA       GLY  25  -0.257   5.892  -3.893
  185   2HA   GLY  25          1HA       GLY  25  -0.950   5.231  -5.397
  186    H    SER  26           H        SER  26   0.755   7.068  -5.932
  187    HA   SER  26           HA       SER  26   0.067   9.737  -5.529
  188   1HB   SER  26          2HB       SER  26   2.297   9.205  -6.055
  189   2HB   SER  26          1HB       SER  26   1.842   8.432  -7.601
  190    HG   SER  26           HG       SER  26   2.420  11.044  -6.895
  191    H    ASP  27           H        ASP  27  -0.752   7.566  -8.203
  192    HA   ASP  27           HA       ASP  27  -1.845   9.488  -9.931
  193   1HB   ASP  27          2HB       ASP  27  -3.242   7.512 -10.774
  194   2HB   ASP  27          1HB       ASP  27  -1.459   7.482 -10.921
  195    H    ASN  28           H        ASN  28  -3.002   8.353  -6.911
  196    HA   ASN  28           HA       ASN  28  -4.831   8.900  -5.680
  197   1HB   ASN  28          2HB       ASN  28  -5.896  10.628  -7.897
  198   2HB   ASN  28          1HB       ASN  28  -6.226  10.691  -6.142
  199   1HD2  ASN  28          2HD2      ASN  28  -3.524  12.753  -5.346
  200   2HD2  ASN  28          1HD2      ASN  28  -4.860  11.803  -4.787
  201    H    LYS  29           H        LYS  29  -4.573   6.613  -7.262
  202    HA   LYS  29           HA       LYS  29  -7.482   5.974  -7.201
  203   1HB   LYS  29          2HB       LYS  29  -5.475   5.104  -9.109
  204   2HB   LYS  29          1HB       LYS  29  -6.146   3.712  -8.218
  205   1HG   LYS  29          2HG       LYS  29  -8.083   5.730  -9.265
  206   2HG   LYS  29          1HG       LYS  29  -7.252   4.687 -10.455
  207   1HD   LYS  29          1HD       LYS  29  -9.090   3.442 -10.023
  208   2HD   LYS  29          2HD       LYS  29  -7.987   2.764  -8.856
  209   1HE   LYS  29          1HE       LYS  29  -9.092   4.794  -7.422
  210   2HE   LYS  29          2HE       LYS  29 -10.447   4.346  -8.493
  211   1HZ   LYS  29          1HZ       LYS  29  -8.923   2.478  -6.964
  212   2HZ   LYS  29          2HZ       LYS  29 -10.271   3.210  -6.425
  213   3HZ   LYS  29          3HZ       LYS  29 -10.317   2.243  -7.767
  214    H    THR  30           H        THR  30  -7.927   3.889  -6.170
  215    HA   THR  30           HA       THR  30  -6.354   3.909  -3.671
  216    HB   THR  30           HB       THR  30  -9.103   2.628  -3.936
  217    HG1  THR  30           HG1      THR  30  -9.989   4.337  -3.796
  218   1HG2  THR  30          1HG2      THR  30  -7.618   2.718  -1.784
  219   2HG2  THR  30          2HG2      THR  30  -8.211   4.396  -1.685
  220   3HG2  THR  30          3HG2      THR  30  -9.368   3.041  -1.684
  221    OH   TYR  31           OH       TYR  31  -2.565   0.436  -8.843
  222    H    TYR  31           H        TYR  31  -5.521   2.149  -2.719
  223    HA   TYR  31           HA       TYR  31  -6.012  -0.490  -4.005
  224   1HB   TYR  31          1HB       TYR  31  -3.448   0.567  -2.772
  225   2HB   TYR  31          2HB       TYR  31  -3.774  -1.173  -3.013
  226    HD1  TYR  31           HD2      TYR  31  -4.486  -1.816  -5.468
  227    HD2  TYR  31           HD1      TYR  31  -2.443   1.789  -4.513
  228    HE1  TYR  31           HE2      TYR  31  -3.896  -1.533  -7.833
  229    HE2  TYR  31           HE1      TYR  31  -1.853   2.089  -6.879
  230    HH   TYR  31           HH       TYR  31  -3.359   1.059  -9.249
  231    H    GLY  32           H        GLY  32  -6.574  -2.121  -2.672
  232   1HA   GLY  32          2HA       GLY  32  -8.286  -1.264  -0.634
  233   2HA   GLY  32          1HA       GLY  32  -7.861  -2.966  -0.957
  234    H    ASN  33           H        ASN  33  -5.089  -2.834  -0.436
  235    HA   ASN  33           HA       ASN  33  -4.593  -1.642   2.177
  236   1HB   ASN  33          2HB       ASN  33  -4.332  -3.795   3.329
  237   2HB   ASN  33          1HB       ASN  33  -6.015  -3.396   2.880
  238   1HD2  ASN  33          2HD2      ASN  33  -5.354  -7.004   2.167
  239   2HD2  ASN  33          1HD2      ASN  33  -5.306  -5.988   3.569
  240    H    LYS  34           H        LYS  34  -2.596  -3.316   3.042
  241    HA   LYS  34           HA       LYS  34  -0.514  -2.090   1.656
  242   1HB   LYS  34          1HB       LYS  34   0.942  -3.728   3.034
  243   2HB   LYS  34          2HB       LYS  34  -0.074  -2.527   3.882
  244   1HG   LYS  34          2HG       LYS  34  -1.003  -4.179   5.065
  245   2HG   LYS  34          1HG       LYS  34  -1.650  -4.880   3.552
  246   1HD   LYS  34          1HD       LYS  34  -0.379  -6.472   4.883
  247   2HD   LYS  34          2HD       LYS  34   0.287  -6.243   3.289
  248   1HE   LYS  34          1HE       LYS  34   2.206  -6.155   4.453
  249   2HE   LYS  34          2HE       LYS  34   1.759  -4.433   4.597
  250   1HZ   LYS  34          2HZ       LYS  34   1.168  -6.510   6.466
  251   2HZ   LYS  34          3HZ       LYS  34   2.341  -5.350   6.595
  252   3HZ   LYS  34          1HZ       LYS  34   0.767  -4.941   6.605
  253    H    CYS  35           H        CYS  35  -1.853  -5.322   1.320
  254    HA   CYS  35           HA       CYS  35   0.188  -6.424  -0.360
  255   1HB   CYS  35          2HB       CYS  35  -1.702  -7.669   0.764
  256   2HB   CYS  35          1HB       CYS  35  -2.768  -7.026  -0.520
  257    H    ASN  36           H        ASN  36  -2.989  -4.987  -1.208
  258    HA   ASN  36           HA       ASN  36  -2.330  -5.209  -3.970
  259   1HB   ASN  36          2HB       ASN  36  -4.723  -4.067  -2.541
  260   2HB   ASN  36          1HB       ASN  36  -4.565  -4.117  -4.320
  261   1HD2  ASN  36          2HD2      ASN  36  -5.072  -7.602  -2.148
  262   2HD2  ASN  36          1HD2      ASN  36  -4.636  -6.118  -1.367
  263    H    PHE  37           H        PHE  37  -1.964  -2.682  -1.659
  264    HA   PHE  37           HA       PHE  37  -1.385  -0.574  -3.562
  265   1HB   PHE  37          1HB       PHE  37  -1.783   0.121  -1.301
  266   2HB   PHE  37          2HB       PHE  37  -0.558  -0.996  -0.654
  267    HD1  PHE  37           HD1      PHE  37  -0.836   1.731  -3.150
  268    HD2  PHE  37           HD2      PHE  37   1.450   0.083   0.046
  269    HE1  PHE  37           HE1      PHE  37   0.939   3.370  -3.600
  270    HE2  PHE  37           HE2      PHE  37   3.122   1.887  -0.219
  271    HZ   PHE  37           HZ       PHE  37   2.928   3.441  -2.143
  272    H    CYS  38           H        CYS  38   0.723  -2.705  -1.575
  273    HA   CYS  38           HA       CYS  38   3.010  -1.668  -2.842
  274   1HB   CYS  38          2HB       CYS  38   2.542  -3.943  -0.930
  275   2HB   CYS  38          1HB       CYS  38   4.157  -3.643  -1.629
  276    H    ASN  39           H        ASN  39   0.983  -4.343  -3.681
  277    HA   ASN  39           HA       ASN  39   2.822  -5.653  -5.474
  278   1HB   ASN  39          2HB       ASN  39  -0.050  -5.815  -4.864
  279   2HB   ASN  39          1HB       ASN  39   0.399  -6.171  -6.557
  280   1HD2  ASN  39          2HD2      ASN  39   1.444  -8.662  -3.457
  281   2HD2  ASN  39          1HD2      ASN  39   1.363  -6.952  -3.185
  282    H    ALA  40           H        ALA  40   0.346  -3.113  -5.836
  283    HA   ALA  40           HA       ALA  40   0.736  -2.876  -8.662
  284   1HB   ALA  40          3HB       ALA  40  -0.617  -1.136  -6.592
  285   2HB   ALA  40          2HB       ALA  40  -0.585  -0.746  -8.330
  286   3HB   ALA  40          1HB       ALA  40  -1.359  -2.250  -7.768
  287    H    VAL  41           H        VAL  41   2.367  -1.554  -5.898
  288    HA   VAL  41           HA       VAL  41   3.825   0.413  -7.405
  289    HB   VAL  41           HB       VAL  41   4.365  -0.878  -4.723
  290   1HG1  VAL  41          2HG1      VAL  41   5.881   1.169  -6.248
  291   2HG1  VAL  41          3HG1      VAL  41   5.616   1.488  -4.516
  292   3HG1  VAL  41          1HG1      VAL  41   6.429  -0.010  -5.032
  293   1HG2  VAL  41          2HG2      VAL  41   2.237   0.562  -5.193
  294   2HG2  VAL  41          1HG2      VAL  41   3.189   0.812  -3.710
  295   3HG2  VAL  41          3HG2      VAL  41   3.377   1.925  -5.087
  296    H    VAL  42           H        VAL  42   4.861  -2.713  -5.980
  297    HA   VAL  42           HA       VAL  42   7.340  -2.719  -7.261
  298    HB   VAL  42           HB       VAL  42   6.939  -3.995  -5.308
  299   1HG1  VAL  42          1HG1      VAL  42   4.502  -4.674  -6.271
  300   2HG1  VAL  42          3HG1      VAL  42   5.391  -6.193  -6.538
  301   3HG1  VAL  42          2HG1      VAL  42   5.306  -5.486  -4.906
  302   1HG2  VAL  42          1HG2      VAL  42   8.438  -4.859  -7.357
  303   2HG2  VAL  42          3HG2      VAL  42   8.342  -5.696  -5.789
  304   3HG2  VAL  42          2HG2      VAL  42   7.368  -6.268  -7.165
  305    H    GLU  43           H        GLU  43   4.232  -3.468  -8.540
  306    HA   GLU  43           HA       GLU  43   5.279  -4.737 -10.994
  307   1HB   GLU  43          1HB       GLU  43   2.609  -3.452 -10.431
  308   2HB   GLU  43          2HB       GLU  43   3.045  -4.354 -11.768
  309   1HG   GLU  43          2HG       GLU  43   3.435  -5.993  -9.573
  310   2HG   GLU  43          1HG       GLU  43   1.792  -5.298  -9.486
  311    H    SER  44           H        SER  44   4.248  -1.594  -9.706
  312    HA   SER  44           HA       SER  44   4.329  -0.091 -12.008
  313   1HB   SER  44          2HB       SER  44   4.104   0.419  -9.284
  314   2HB   SER  44          1HB       SER  44   5.511   1.388  -9.802
  315    HG   SER  44           HG       SER  44   2.737   1.416 -10.524
  316    H    ASN  45           H        ASN  45   6.994  -1.487 -10.288
  317    HA   ASN  45           HA       ASN  45   9.245  -1.342 -10.451
  318   1HB   ASN  45          2HB       ASN  45   8.383  -1.020 -13.131
  319   2HB   ASN  45          1HB       ASN  45   9.723   0.125 -12.832
  320   1HD2  ASN  45          2HD2      ASN  45  10.406  -3.841 -13.286
  321   2HD2  ASN  45          1HD2      ASN  45   8.845  -3.116 -13.490
  322    H    GLY  46           H        GLY  46   8.322   0.202  -8.702
  323   1HA   GLY  46          1HA       GLY  46   8.813   2.053  -7.419
  324   2HA   GLY  46          2HA       GLY  46  10.303   2.087  -8.398
  325    H    THR  47           H        THR  47   6.980   2.570  -9.568
  326    HA   THR  47           HA       THR  47   7.655   5.425 -10.079
  327    HB   THR  47           HB       THR  47   6.380   5.310 -12.138
  328    HG1  THR  47           HG1      THR  47   5.360   3.722 -12.699
  329   1HG2  THR  47          1HG2      THR  47   8.450   3.235 -11.718
  330   2HG2  THR  47          3HG2      THR  47   7.430   3.049 -13.167
  331   3HG2  THR  47          2HG2      THR  47   8.356   4.551 -12.917
  332    H    LEU  48           H        LEU  48   5.018   3.152  -9.302
  333    HA   LEU  48           HA       LEU  48   3.234   5.319  -8.425
  334   1HB   LEU  48          1HB       LEU  48   2.127   3.496  -9.356
  335   2HB   LEU  48          2HB       LEU  48   3.165   2.308  -8.515
  336    HG   LEU  48           HG       LEU  48   2.050   3.180  -6.364
  337   1HD1  LEU  48          3HD1      LEU  48   0.736   4.799  -8.314
  338   2HD1  LEU  48          1HD1      LEU  48  -0.465   3.674  -7.636
  339   3HD1  LEU  48          2HD1      LEU  48   0.471   4.735  -6.555
  340   1HD2  LEU  48          1HD2      LEU  48   0.850   1.467  -8.531
  341   2HD2  LEU  48          3HD2      LEU  48   1.637   0.983  -7.008
  342   3HD2  LEU  48          2HD2      LEU  48   0.002   1.690  -6.980
  343    H    THR  49           H        THR  49   3.074   6.052  -6.408
  344    HA   THR  49           HA       THR  49   4.578   4.710  -4.225
  345    HB   THR  49           HB       THR  49   5.830   6.740  -3.731
  346    HG1  THR  49           HG1      THR  49   5.578   8.419  -4.651
  347   1HG2  THR  49          2HG2      THR  49   6.542   5.237  -5.768
  348   2HG2  THR  49          3HG2      THR  49   6.156   6.701  -6.707
  349   3HG2  THR  49          1HG2      THR  49   7.388   6.767  -5.420
  350    H    LEU  50           H        LEU  50   4.248   5.784  -2.127
  351    HA   LEU  50           HA       LEU  50   1.401   5.941  -1.827
  352   1HB   LEU  50          1HB       LEU  50   3.054   4.511  -0.603
  353   2HB   LEU  50          2HB       LEU  50   3.616   5.976   0.244
  354    HG   LEU  50           HG       LEU  50   1.479   6.198   1.369
  355   1HD1  LEU  50          1HD1      LEU  50   0.055   5.345  -0.473
  356   2HD1  LEU  50          3HD1      LEU  50   0.650   3.699  -0.138
  357   3HD1  LEU  50          2HD1      LEU  50  -0.295   4.573   1.095
  358   1HD2  LEU  50          3HD2      LEU  50   3.349   4.501   2.016
  359   2HD2  LEU  50          1HD2      LEU  50   1.766   4.419   2.831
  360   3HD2  LEU  50          2HD2      LEU  50   2.157   3.271   1.525
  361    H    SER  51           H        SER  51   0.178   7.656  -1.584
  362    HA   SER  51           HA       SER  51   1.464  10.311  -1.263
  363   1HB   SER  51          1HB       SER  51  -1.480  10.027  -1.645
  364   2HB   SER  51          2HB       SER  51  -0.340  11.268  -2.241
  365    HG   SER  51           HG       SER  51  -0.611   8.502  -3.092
  366    H    HIS  52           H        HIS  52  -1.128   8.241   0.063
  367    HA   HIS  52           HA       HIS  52  -0.076   8.722   2.715
  368   1HB   HIS  52          2HB       HIS  52  -2.291   9.352   3.729
  369   2HB   HIS  52          1HB       HIS  52  -1.521  10.647   2.765
  370    HD1  HIS  52           HD1      HIS  52  -4.772   9.216   3.265
  371    HD2  HIS  52           HD2      HIS  52  -2.574  10.220  -0.128
  372    HE1  HIS  52           HE1      HIS  52  -6.366   9.126   1.329
  373    HE2  HIS  52           HE2      HIS  52  -5.098  10.010  -0.667
  374    H    PHE  53           H        PHE  53  -1.162   7.383   4.331
  375    HA   PHE  53           HA       PHE  53  -2.158   4.819   3.428
  376   1HB   PHE  53          1HB       PHE  53  -2.348   6.167   6.158
  377   2HB   PHE  53          2HB       PHE  53  -2.878   4.500   5.790
  378    HD1  PHE  53           HD2      PHE  53   0.276   6.460   4.957
  379    HD2  PHE  53           HD1      PHE  53  -1.527   3.039   6.754
  380    HE1  PHE  53           HE2      PHE  53   2.488   5.731   5.815
  381    HE2  PHE  53           HE1      PHE  53   0.699   2.061   7.135
  382    HZ   PHE  53           HZ       PHE  53   2.704   3.456   6.782
  383    H    GLY  54           H        GLY  54  -4.388   4.219   4.595
  384   1HA   GLY  54          1HA       GLY  54  -6.680   4.302   4.337
  385   2HA   GLY  54          2HA       GLY  54  -6.551   6.076   4.458
  386    H    LYS  55           H        LYS  55  -8.114   6.356   2.837
  387    HA   LYS  55           HA       LYS  55  -7.184   5.689   0.098
  388   1HB   LYS  55          2HB       LYS  55  -9.663   5.624  -0.549
  389   2HB   LYS  55          1HB       LYS  55  -8.935   4.178   0.204
  390   1HG   LYS  55          2HG       LYS  55 -11.266   4.787   0.990
  391   2HG   LYS  55          1HG       LYS  55 -10.043   4.567   2.271
  392   1HD   LYS  55          2HD       LYS  55  -9.931   6.883   2.679
  393   2HD   LYS  55          1HD       LYS  55 -10.618   7.278   1.127
  394   1HE   LYS  55          1HE       LYS  55 -12.141   5.892   3.313
  395   2HE   LYS  55          2HE       LYS  55 -12.125   7.660   3.070
  396   1HZ   LYS  55          1HZ       LYS  55 -12.805   7.129   0.834
  397   2HZ   LYS  55          2HZ       LYS  55 -13.093   5.614   1.346
  398   3HZ   LYS  55          3HZ       LYS  55 -13.889   6.895   2.022
  399    H    CYS  56           H        CYS  56  -7.907   7.195  -1.494
  400    HA   CYS  56           HA       CYS  56  -7.309   9.760  -0.659
  401   1HB   CYS  56          1HB       CYS  56  -8.425   8.628  -3.201
  402   2HB   CYS  56          2HB       CYS  56  -8.314  10.398  -2.994
   
  Start of MODEL           7
 Raw file had 402 H/Q atoms
  Start of MODEL    7
    1   1H    LEU   1          2H        LEU   1  11.170  13.240   7.328
    2   2H    LEU   1          3H        LEU   1  11.417  14.751   7.896
    3   3H    LEU   1          1H        LEU   1  10.070  14.412   7.036
    4    HA   LEU   1           HA       LEU   1  11.524  15.612   5.661
    5   1HB   LEU   1          2HB       LEU   1  13.757  14.301   5.214
    6   2HB   LEU   1          1HB       LEU   1  13.583  15.393   6.617
    7    HG   LEU   1           HG       LEU   1  12.976  13.234   7.916
    8   1HD1  LEU   1          1HD1      LEU   1  14.465  12.122   5.516
    9   2HD1  LEU   1          2HD1      LEU   1  14.164  11.247   7.038
   10   3HD1  LEU   1          3HD1      LEU   1  12.796  11.736   6.007
   11   1HD2  LEU   1          2HD2      LEU   1  15.163  14.775   7.677
   12   2HD2  LEU   1          1HD2      LEU   1  15.114  13.317   8.702
   13   3HD2  LEU   1          3HD2      LEU   1  15.834  13.239   7.074
   14    H    ALA   2           H        ALA   2   9.410  14.494   4.939
   15    HA   ALA   2           HA       ALA   2   8.341  13.508   3.167
   16   1HB   ALA   2          2HB       ALA   2  11.068  14.236   2.289
   17   2HB   ALA   2          1HB       ALA   2  10.201  13.083   1.244
   18   3HB   ALA   2          3HB       ALA   2   9.476  14.667   1.616
   19    H    ALA   3           H        ALA   3   9.062  11.726   5.201
   20    HA   ALA   3           HA       ALA   3   9.293   9.260   3.544
   21   1HB   ALA   3          1HB       ALA   3  11.165   9.756   5.293
   22   2HB   ALA   3          2HB       ALA   3   9.930   9.254   6.476
   23   3HB   ALA   3          3HB       ALA   3  10.439   8.132   5.189
   24    H    VAL   4           H        VAL   4   7.191   8.909   3.181
   25    HA   VAL   4           HA       VAL   4   5.848   7.771   5.500
   26    HB   VAL   4           HB       VAL   4   4.907  10.085   5.213
   27   1HG1  VAL   4          3HG1      VAL   4   4.868  10.127   2.734
   28   2HG1  VAL   4          1HG1      VAL   4   3.547   8.934   2.763
   29   3HG1  VAL   4          2HG1      VAL   4   3.305  10.547   3.476
   30   1HG2  VAL   4          1HG2      VAL   4   3.740   7.775   6.029
   31   2HG2  VAL   4          2HG2      VAL   4   3.004   9.391   6.162
   32   3HG2  VAL   4          3HG2      VAL   4   2.579   8.329   4.798
   33    H    SER   5           H        SER   5   6.069   5.755   4.880
   34    HA   SER   5           HA       SER   5   4.999   4.804   2.314
   35   1HB   SER   5          2HB       SER   5   7.966   4.698   2.914
   36   2HB   SER   5          1HB       SER   5   7.129   4.001   1.497
   37    HG   SER   5           HG       SER   5   7.140   5.779   0.503
   38    H    VAL   6           H        VAL   6   4.207   2.872   2.568
   39    HA   VAL   6           HA       VAL   6   5.354   1.018   4.577
   40    HB   VAL   6           HB       VAL   6   3.667  -0.564   3.242
   41   1HG1  VAL   6          2HG1      VAL   6   3.276   1.188   5.631
   42   2HG1  VAL   6          3HG1      VAL   6   1.887   0.270   5.001
   43   3HG1  VAL   6          1HG1      VAL   6   3.370  -0.584   5.493
   44   1HG2  VAL   6          2HG2      VAL   6   3.012   1.578   1.861
   45   2HG2  VAL   6          3HG2      VAL   6   1.796   0.375   2.352
   46   3HG2  VAL   6          1HG2      VAL   6   1.964   1.893   3.265
   47    H    ASP   7           H        ASP   7   6.174  -1.027   3.858
   48    HA   ASP   7           HA       ASP   7   8.052  -0.358   1.664
   49   1HB   ASP   7          2HB       ASP   7   8.944  -0.598   3.998
   50   2HB   ASP   7          1HB       ASP   7   8.565  -2.340   3.870
   51    H    CYS   8           H        CYS   8   8.477  -1.719   0.036
   52    HA   CYS   8           HA       CYS   8   6.465  -3.886  -0.312
   53   1HB   CYS   8          2HB       CYS   8   7.023  -1.607  -2.221
   54   2HB   CYS   8          1HB       CYS   8   5.833  -2.924  -2.419
   55    H    SER   9           H        SER   9   9.267  -4.220   0.174
   56    HA   SER   9           HA       SER   9  10.612  -4.655  -2.414
   57   1HB   SER   9          2HB       SER   9  12.503  -5.235  -1.240
   58   2HB   SER   9          1HB       SER   9  11.778  -3.934  -0.251
   59    HG   SER   9           HG       SER   9  11.819  -5.168   1.363
   60    H    GLU  10           H        GLU  10   8.256  -6.202  -0.565
   61    HA   GLU  10           HA       GLU  10   9.242  -8.924  -1.298
   62   1HB   GLU  10          2HB       GLU  10   8.094  -9.686   0.693
   63   2HB   GLU  10          1HB       GLU  10   9.577  -8.953   0.933
   64   1HG   GLU  10          2HG       GLU  10   6.851  -8.036   1.583
   65   2HG   GLU  10          1HG       GLU  10   8.166  -8.405   2.736
   66    OH   TYR  11           OH       TYR  11   2.806  -7.175   2.164
   67    H    TYR  11           H        TYR  11   7.726  -7.448  -3.007
   68    HA   TYR  11           HA       TYR  11   5.278  -9.061  -3.027
   69   1HB   TYR  11          1HB       TYR  11   5.281  -6.036  -3.354
   70   2HB   TYR  11          2HB       TYR  11   3.945  -7.097  -3.880
   71    HD1  TYR  11           HD2      TYR  11   5.938  -6.136  -0.877
   72    HD2  TYR  11           HD1      TYR  11   2.290  -7.793  -2.302
   73    HE1  TYR  11           HE2      TYR  11   5.055  -6.149   1.414
   74    HE2  TYR  11           HE1      TYR  11   1.432  -7.899  -0.001
   75    HH   TYR  11           HH       TYR  11   1.755  -6.890   2.120
   76    HA   PRO  12           HA       PRO  12   3.524  -8.748  -4.454
   77   1HB   PRO  12          1HB       PRO  12   2.549  -9.655  -6.864
   78   2HB   PRO  12          2HB       PRO  12   2.971  -7.944  -6.579
   79   1HG   PRO  12          2HG       PRO  12   4.230  -9.830  -8.378
   80   2HG   PRO  12          1HG       PRO  12   4.626  -8.107  -8.121
   81   1HD   PRO  12          2HD       PRO  12   5.937 -10.551  -6.970
   82   2HD   PRO  12          1HD       PRO  12   6.626  -8.933  -7.276
   83    H    LYS  13           H        LYS  13   1.936 -10.379  -4.160
   84    HA   LYS  13           HA       LYS  13   3.418 -12.840  -3.357
   85   1HB   LYS  13          1HB       LYS  13   1.124 -11.477  -1.914
   86   2HB   LYS  13          2HB       LYS  13   2.106 -12.856  -1.345
   87   1HG   LYS  13          1HG       LYS  13   3.919 -10.747  -1.923
   88   2HG   LYS  13          2HG       LYS  13   2.561 -10.025  -1.015
   89   1HD   LYS  13          1HD       LYS  13   4.310 -12.324  -0.188
   90   2HD   LYS  13          2HD       LYS  13   4.299 -10.723   0.498
   91   1HE   LYS  13          1HE       LYS  13   2.235 -12.894   0.683
   92   2HE   LYS  13          2HE       LYS  13   3.129 -12.098   2.005
   93   1HZ   LYS  13          2HZ       LYS  13   2.012 -10.153   1.449
   94   2HZ   LYS  13          3HZ       LYS  13   1.131 -10.966   0.310
   95   3HZ   LYS  13          1HZ       LYS  13   0.997 -11.346   1.886
   96    HA   PRO  14           HA       PRO  14  -0.003 -15.477  -4.954
   97   1HB   PRO  14          1HB       PRO  14  -0.210 -16.781  -2.372
   98   2HB   PRO  14          2HB       PRO  14   0.591 -17.391  -3.847
   99   1HG   PRO  14          2HG       PRO  14   1.769 -16.077  -1.451
  100   2HG   PRO  14          1HG       PRO  14   2.527 -17.174  -2.641
  101   1HD   PRO  14          1HD       PRO  14   3.148 -14.517  -2.592
  102   2HD   PRO  14          2HD       PRO  14   3.007 -15.385  -4.149
  103    H    ALA  15           H        ALA  15  -0.483 -14.147  -1.709
  104    HA   ALA  15           HA       ALA  15  -3.184 -13.303  -2.496
  105   1HB   ALA  15          1HB       ALA  15  -3.062 -15.853  -1.824
  106   2HB   ALA  15          2HB       ALA  15  -3.039 -15.180  -0.174
  107   3HB   ALA  15          3HB       ALA  15  -4.391 -14.803  -1.273
  108    H    CYS  16           H        CYS  16  -4.345 -12.749  -0.233
  109    HA   CYS  16           HA       CYS  16  -2.450 -10.960   1.201
  110   1HB   CYS  16          2HB       CYS  16  -4.940 -10.125  -0.309
  111   2HB   CYS  16          1HB       CYS  16  -3.931  -9.074   0.727
  112    H    THR  17           H        THR  17  -3.502  -9.759   2.965
  113    HA   THR  17           HA       THR  17  -5.585 -11.308   4.378
  114    HB   THR  17           HB       THR  17  -5.325  -9.128   5.948
  115    HG1  THR  17           HG1      THR  17  -4.242  -8.132   4.723
  116   1HG2  THR  17          3HG2      THR  17  -3.527 -11.533   5.825
  117   2HG2  THR  17          1HG2      THR  17  -3.271 -10.262   7.048
  118   3HG2  THR  17          2HG2      THR  17  -4.821 -11.140   6.985
  119    H    LEU  18           H        LEU  18  -7.574 -10.346   4.949
  120    HA   LEU  18           HA       LEU  18  -8.599  -8.876   2.674
  121   1HB   LEU  18          1HB       LEU  18 -10.229  -9.962   4.961
  122   2HB   LEU  18          2HB       LEU  18 -10.615  -9.878   3.218
  123    HG   LEU  18           HG       LEU  18  -8.757 -11.818   4.612
  124   1HD1  LEU  18          3HD2      LEU  18 -11.373 -11.953   4.576
  125   2HD1  LEU  18          2HD2      LEU  18 -11.133 -12.453   2.883
  126   3HD1  LEU  18          1HD2      LEU  18 -10.402 -13.399   4.203
  127   1HD2  LEU  18          3HD1      LEU  18  -8.321 -10.826   2.116
  128   2HD2  LEU  18          2HD1      LEU  18  -7.908 -12.482   2.626
  129   3HD2  LEU  18          1HD1      LEU  18  -9.430 -12.172   1.753
  130    H    GLU  19           H        GLU  19  -8.173  -8.313   6.120
  131    HA   GLU  19           HA       GLU  19 -10.173  -6.450   6.566
  132   1HB   GLU  19          1HB       GLU  19  -9.089  -6.010   8.549
  133   2HB   GLU  19          2HB       GLU  19  -8.844  -7.616   8.154
  134   1HG   GLU  19          2HG       GLU  19  -6.653  -6.002   7.346
  135   2HG   GLU  19          1HG       GLU  19  -6.935  -6.003   9.109
  136    OH   TYR  20           OH       TYR  20 -11.101   1.692   0.588
  137    H    TYR  20           H        TYR  20 -10.525  -4.408   6.055
  138    HA   TYR  20           HA       TYR  20  -8.866  -3.440   3.922
  139   1HB   TYR  20          1HB       TYR  20 -11.265  -3.487   3.671
  140   2HB   TYR  20          2HB       TYR  20 -11.484  -2.412   5.082
  141    HD1  TYR  20           HD2      TYR  20 -10.060  -2.544   1.643
  142    HD2  TYR  20           HD1      TYR  20 -11.709  -0.104   4.710
  143    HE1  TYR  20           HE2      TYR  20 -10.151  -0.654   0.079
  144    HE2  TYR  20           HE1      TYR  20 -11.901   1.766   3.128
  145    HH   TYR  20           HH       TYR  20 -10.898   2.582   1.182
  146    NH1  ARG  21           NH1      ARG  21  -2.525  -2.655   7.728
  147    NH2  ARG  21           NH2      ARG  21  -2.810  -4.370   9.229
  148    H    ARG  21           H        ARG  21  -7.352  -1.974   3.956
  149    HA   ARG  21           HA       ARG  21  -7.390   0.149   5.975
  150   1HB   ARG  21          1HB       ARG  21  -4.733  -1.109   5.486
  151   2HB   ARG  21          2HB       ARG  21  -5.318  -0.146   6.874
  152   1HG   ARG  21          2HG       ARG  21  -5.533  -2.048   8.014
  153   2HG   ARG  21          1HG       ARG  21  -6.848  -2.506   6.895
  154   1HD   ARG  21          2HD       ARG  21  -5.599  -4.024   5.869
  155   2HD   ARG  21          1HD       ARG  21  -4.179  -2.940   5.800
  156    HE   ARG  21           HE       ARG  21  -4.738  -4.978   7.792
  157   1HH1  ARG  21          2HH1      ARG  21  -2.822  -2.151   6.917
  158   2HH1  ARG  21          1HH1      ARG  21  -1.697  -2.376   8.215
  159   1HH2  ARG  21          2HH2      ARG  21  -3.322  -5.166   9.552
  160   2HH2  ARG  21          1HH2      ARG  21  -1.979  -4.083   9.706
  161    HA   PRO  22           HA       PRO  22  -6.759   1.044   1.436
  162   1HB   PRO  22          1HB       PRO  22  -8.043   3.485   1.571
  163   2HB   PRO  22          2HB       PRO  22  -8.908   1.928   1.467
  164   1HG   PRO  22          2HG       PRO  22  -8.754   3.820   3.693
  165   2HG   PRO  22          1HG       PRO  22  -9.818   2.403   3.492
  166   1HD   PRO  22          2HD       PRO  22  -7.367   2.653   5.114
  167   2HD   PRO  22          1HD       PRO  22  -8.575   1.341   5.100
  168    H    LEU  23           H        LEU  23  -5.043   1.493   0.533
  169    HA   LEU  23           HA       LEU  23  -3.619   3.935   1.483
  170   1HB   LEU  23          1HB       LEU  23  -2.439   1.354   0.418
  171   2HB   LEU  23          2HB       LEU  23  -1.532   2.837   0.813
  172    HG   LEU  23           HG       LEU  23  -2.976   2.204   3.137
  173   1HD1  LEU  23          1HD1      LEU  23  -3.430  -0.024   2.227
  174   2HD1  LEU  23          3HD1      LEU  23  -1.686  -0.281   1.966
  175   3HD1  LEU  23          2HD1      LEU  23  -2.322  -0.095   3.621
  176   1HD2  LEU  23          1HD2      LEU  23  -0.096   1.693   2.316
  177   2HD2  LEU  23          2HD2      LEU  23  -0.761   3.151   3.097
  178   3HD2  LEU  23          3HD2      LEU  23  -0.700   1.611   3.991
  179    H    CYS  24           H        CYS  24  -3.400   5.467   0.021
  180    HA   CYS  24           HA       CYS  24  -4.176   4.835  -2.783
  181   1HB   CYS  24          2HB       CYS  24  -5.519   6.607  -1.631
  182   2HB   CYS  24          1HB       CYS  24  -4.026   7.578  -1.512
  183    H    GLY  25           H        GLY  25  -2.786   5.423  -4.417
  184   1HA   GLY  25          2HA       GLY  25  -0.025   6.157  -3.557
  185   2HA   GLY  25          1HA       GLY  25  -0.442   5.149  -4.969
  186    H    SER  26           H        SER  26   1.183   6.928  -5.722
  187    HA   SER  26           HA       SER  26   0.472   9.582  -5.863
  188   1HB   SER  26          2HB       SER  26   2.716   8.893  -6.278
  189   2HB   SER  26          1HB       SER  26   2.239   7.995  -7.746
  190    HG   SER  26           HG       SER  26   2.472  10.795  -7.149
  191    H    ASP  27           H        ASP  27  -0.422   6.977  -8.063
  192    HA   ASP  27           HA       ASP  27  -1.170   8.643 -10.271
  193   1HB   ASP  27          2HB       ASP  27  -2.137   6.707 -11.239
  194   2HB   ASP  27          1HB       ASP  27  -0.575   6.273 -10.481
  195    H    ASN  28           H        ASN  28  -2.620   7.962  -7.242
  196    HA   ASN  28           HA       ASN  28  -4.568   8.624  -6.293
  197   1HB   ASN  28          1HB       ASN  28  -4.273  10.657  -7.857
  198   2HB   ASN  28          2HB       ASN  28  -5.583   9.896  -8.803
  199   1HD2  ASN  28          2HD2      ASN  28  -6.665  12.297  -5.942
  200   2HD2  ASN  28          1HD2      ASN  28  -5.204  12.351  -6.872
  201    H    LYS  29           H        LYS  29  -4.153   6.103  -7.354
  202    HA   LYS  29           HA       LYS  29  -7.069   5.451  -7.342
  203   1HB   LYS  29          1HB       LYS  29  -6.583   3.223  -8.067
  204   2HB   LYS  29          2HB       LYS  29  -5.883   4.383  -9.231
  205   1HG   LYS  29          2HG       LYS  29  -3.673   4.026  -7.890
  206   2HG   LYS  29          1HG       LYS  29  -4.484   2.561  -7.269
  207   1HD   LYS  29          2HD       LYS  29  -3.927   3.271 -10.163
  208   2HD   LYS  29          1HD       LYS  29  -3.034   2.137  -9.187
  209   1HE   LYS  29          1HE       LYS  29  -4.331   0.566  -9.975
  210   2HE   LYS  29          2HE       LYS  29  -5.607   1.219  -8.912
  211   1HZ   LYS  29          1HZ       LYS  29  -6.050   2.704 -10.743
  212   2HZ   LYS  29          2HZ       LYS  29  -5.102   1.754 -11.660
  213   3HZ   LYS  29          3HZ       LYS  29  -6.452   1.138 -10.929
  214    H    THR  30           H        THR  30  -7.693   3.752  -5.887
  215    HA   THR  30           HA       THR  30  -6.069   3.810  -3.430
  216    HB   THR  30           HB       THR  30  -8.793   2.577  -3.341
  217    HG1  THR  30           HG1      THR  30  -8.300   5.223  -3.821
  218   1HG2  THR  30          1HG2      THR  30  -7.351   4.655  -1.694
  219   2HG2  THR  30          3HG2      THR  30  -9.063   4.229  -1.446
  220   3HG2  THR  30          2HG2      THR  30  -7.800   2.985  -1.266
  221    OH   TYR  31           OH       TYR  31  -1.676   1.898  -7.411
  222    H    TYR  31           H        TYR  31  -6.025   1.918  -2.037
  223    HA   TYR  31           HA       TYR  31  -5.889  -0.628  -3.584
  224   1HB   TYR  31          1HB       TYR  31  -3.776   0.630  -1.794
  225   2HB   TYR  31          2HB       TYR  31  -3.709  -1.032  -2.445
  226    HD1  TYR  31           HD2      TYR  31  -4.207  -1.029  -5.136
  227    HD2  TYR  31           HD1      TYR  31  -2.461   2.175  -2.950
  228    HE1  TYR  31           HE2      TYR  31  -3.214  -0.167  -7.207
  229    HE2  TYR  31           HE1      TYR  31  -1.497   3.073  -5.025
  230    HH   TYR  31           HH       TYR  31  -1.278   0.983  -7.844
  231    H    GLY  32           H        GLY  32  -6.472  -2.427  -2.553
  232   1HA   GLY  32          1HA       GLY  32  -8.139  -2.412  -0.475
  233   2HA   GLY  32          2HA       GLY  32  -7.204  -3.870  -0.898
  234    H    ASN  33           H        ASN  33  -4.647  -3.154  -0.159
  235    HA   ASN  33           HA       ASN  33  -4.477  -1.763   2.358
  236   1HB   ASN  33          2HB       ASN  33  -3.994  -3.636   3.793
  237   2HB   ASN  33          1HB       ASN  33  -5.654  -3.714   3.138
  238   1HD2  ASN  33          2HD2      ASN  33  -4.737  -7.151   2.827
  239   2HD2  ASN  33          1HD2      ASN  33  -5.302  -6.000   3.991
  240    H    LYS  34           H        LYS  34  -2.270  -3.203   3.390
  241    HA   LYS  34           HA       LYS  34  -0.213  -1.941   1.893
  242   1HB   LYS  34          1HB       LYS  34   1.331  -3.290   3.359
  243   2HB   LYS  34          2HB       LYS  34   0.163  -2.236   4.205
  244   1HG   LYS  34          2HG       LYS  34  -0.259  -4.049   5.471
  245   2HG   LYS  34          1HG       LYS  34  -1.211  -4.624   4.070
  246   1HD   LYS  34          1HD       LYS  34   0.316  -6.300   4.993
  247   2HD   LYS  34          2HD       LYS  34   0.598  -5.961   3.307
  248   1HE   LYS  34          1HE       LYS  34   2.719  -5.591   3.760
  249   2HE   LYS  34          2HE       LYS  34   2.250  -4.189   4.758
  250   1HZ   LYS  34          1HZ       LYS  34   2.279  -6.895   5.671
  251   2HZ   LYS  34          2HZ       LYS  34   3.526  -5.860   5.811
  252   3HZ   LYS  34          3HZ       LYS  34   2.076  -5.533   6.538
  253    H    CYS  35           H        CYS  35  -1.503  -5.219   1.890
  254    HA   CYS  35           HA       CYS  35   0.343  -6.361   0.102
  255   1HB   CYS  35          2HB       CYS  35  -1.532  -7.507   1.357
  256   2HB   CYS  35          1HB       CYS  35  -2.624  -6.922   0.068
  257    H    ASN  36           H        ASN  36  -2.874  -5.028  -0.761
  258    HA   ASN  36           HA       ASN  36  -2.262  -5.337  -3.531
  259   1HB   ASN  36          2HB       ASN  36  -4.618  -4.077  -2.134
  260   2HB   ASN  36          1HB       ASN  36  -4.477  -4.270  -3.905
  261   1HD2  ASN  36          2HD2      ASN  36  -4.961  -7.594  -1.481
  262   2HD2  ASN  36          1HD2      ASN  36  -4.423  -6.086  -0.818
  263    H    PHE  37           H        PHE  37  -1.866  -2.754  -1.280
  264    HA   PHE  37           HA       PHE  37  -1.252  -0.690  -3.196
  265   1HB   PHE  37          1HB       PHE  37  -1.576   0.048  -0.975
  266   2HB   PHE  37          2HB       PHE  37  -0.445  -1.146  -0.296
  267    HD1  PHE  37           HD1      PHE  37  -0.617   1.731  -2.599
  268    HD2  PHE  37           HD2      PHE  37   1.736  -0.330   0.294
  269    HE1  PHE  37           HE1      PHE  37   1.159   3.402  -2.884
  270    HE2  PHE  37           HE2      PHE  37   3.527   1.358   0.050
  271    HZ   PHE  37           HZ       PHE  37   3.169   3.294  -1.458
  272    H    CYS  38           H        CYS  38   0.766  -3.060  -1.403
  273    HA   CYS  38           HA       CYS  38   3.084  -2.180  -2.757
  274   1HB   CYS  38          2HB       CYS  38   2.501  -4.440  -0.857
  275   2HB   CYS  38          1HB       CYS  38   4.104  -4.268  -1.629
  276    H    ASN  39           H        ASN  39   0.757  -4.580  -3.594
  277    HA   ASN  39           HA       ASN  39   2.282  -5.928  -5.609
  278   1HB   ASN  39          2HB       ASN  39  -0.602  -5.555  -5.009
  279   2HB   ASN  39          1HB       ASN  39  -0.142  -6.009  -6.676
  280   1HD2  ASN  39          2HD2      ASN  39  -0.367  -8.772  -3.792
  281   2HD2  ASN  39          1HD2      ASN  39  -0.820  -7.120  -3.546
  282    H    ALA  40           H        ALA  40   0.176  -3.045  -5.705
  283    HA   ALA  40           HA       ALA  40   0.643  -2.653  -8.508
  284   1HB   ALA  40          3HB       ALA  40  -1.371  -1.989  -7.020
  285   2HB   ALA  40          1HB       ALA  40  -0.416  -0.529  -6.662
  286   3HB   ALA  40          2HB       ALA  40  -0.865  -0.909  -8.344
  287    H    VAL  41           H        VAL  41   2.254  -1.617  -5.610
  288    HA   VAL  41           HA       VAL  41   3.899   0.407  -6.845
  289    HB   VAL  41           HB       VAL  41   4.333  -1.323  -4.400
  290   1HG1  VAL  41          3HG1      VAL  41   6.026   0.770  -5.654
  291   2HG1  VAL  41          1HG1      VAL  41   5.838   0.834  -3.885
  292   3HG1  VAL  41          2HG1      VAL  41   6.472  -0.638  -4.661
  293   1HG2  VAL  41          1HG2      VAL  41   2.383   0.461  -4.639
  294   2HG2  VAL  41          2HG2      VAL  41   3.292   0.237  -3.125
  295   3HG2  VAL  41          3HG2      VAL  41   3.701   1.580  -4.218
  296    H    VAL  42           H        VAL  42   4.652  -2.956  -5.849
  297    HA   VAL  42           HA       VAL  42   7.144  -2.971  -7.044
  298    HB   VAL  42           HB       VAL  42   6.432  -4.490  -5.300
  299   1HG1  VAL  42          2HG1      VAL  42   4.148  -4.965  -6.435
  300   2HG1  VAL  42          3HG1      VAL  42   5.027  -6.267  -7.273
  301   3HG1  VAL  42          1HG1      VAL  42   4.945  -6.250  -5.495
  302   1HG2  VAL  42          3HG2      VAL  42   8.080  -5.108  -7.482
  303   2HG2  VAL  42          1HG2      VAL  42   8.117  -5.816  -5.849
  304   3HG2  VAL  42          2HG2      VAL  42   7.161  -6.593  -7.135
  305    H    GLU  43           H        GLU  43   4.055  -3.372  -8.536
  306    HA   GLU  43           HA       GLU  43   4.958  -4.640 -11.021
  307   1HB   GLU  43          2HB       GLU  43   2.640  -3.189  -9.908
  308   2HB   GLU  43          1HB       GLU  43   2.741  -3.192 -11.575
  309   1HG   GLU  43          2HG       GLU  43   1.779  -5.054  -9.693
  310   2HG   GLU  43          1HG       GLU  43   1.428  -4.994 -11.442
  311    H    SER  44           H        SER  44   4.204  -1.370  -9.775
  312    HA   SER  44           HA       SER  44   4.636  -0.078 -12.262
  313   1HB   SER  44          2HB       SER  44   4.517   2.004 -11.046
  314   2HB   SER  44          1HB       SER  44   3.236   0.880 -10.513
  315    HG   SER  44           HG       SER  44   3.842   1.153  -8.591
  316    H    ASN  45           H        ASN  45   6.850  -1.216  -9.887
  317    HA   ASN  45           HA       ASN  45   9.100  -1.035  -9.633
  318   1HB   ASN  45          2HB       ASN  45   9.305   0.693 -12.083
  319   2HB   ASN  45          1HB       ASN  45  10.540  -0.343 -11.311
  320   1HD2  ASN  45          2HD2      ASN  45   8.683  -1.801 -14.421
  321   2HD2  ASN  45          1HD2      ASN  45   9.099  -0.153 -14.081
  322    H    GLY  46           H        GLY  46   7.852   0.211  -7.906
  323   1HA   GLY  46          2HA       GLY  46   8.185   1.795  -6.270
  324   2HA   GLY  46          1HA       GLY  46   9.798   1.922  -7.022
  325    H    THR  47           H        THR  47   6.742   2.752  -8.607
  326    HA   THR  47           HA       THR  47   7.608   5.603  -8.633
  327    HB   THR  47           HB       THR  47   8.199   4.277 -10.747
  328    HG1  THR  47           HG1      THR  47   7.854   5.808 -11.823
  329   1HG2  THR  47          3HG2      THR  47   5.208   4.382 -11.223
  330   2HG2  THR  47          1HG2      THR  47   6.451   3.936 -12.420
  331   3HG2  THR  47          2HG2      THR  47   6.186   2.910 -10.987
  332    H    LEU  48           H        LEU  48   5.041   3.308  -8.313
  333    HA   LEU  48           HA       LEU  48   2.809   5.131  -8.448
  334   1HB   LEU  48          1HB       LEU  48   2.294   2.882  -8.563
  335   2HB   LEU  48          2HB       LEU  48   3.433   2.444  -7.258
  336    HG   LEU  48           HG       LEU  48   1.901   3.390  -5.602
  337   1HD1  LEU  48          3HD1      LEU  48   0.219   3.955  -8.056
  338   2HD1  LEU  48          2HD1      LEU  48  -0.464   3.855  -6.414
  339   3HD1  LEU  48          1HD1      LEU  48   0.756   5.095  -6.798
  340   1HD2  LEU  48          1HD2      LEU  48   1.825   1.016  -6.370
  341   2HD2  LEU  48          3HD2      LEU  48   0.265   1.619  -5.755
  342   3HD2  LEU  48          2HD2      LEU  48   0.531   1.467  -7.510
  343    H    THR  49           H        THR  49   4.152   3.605  -5.518
  344    HA   THR  49           HA       THR  49   4.833   4.414  -3.523
  345    HB   THR  49           HB       THR  49   6.222   6.312  -3.519
  346    HG1  THR  49           HG1      THR  49   4.958   7.678  -3.888
  347   1HG2  THR  49          2HG2      THR  49   6.344   4.654  -5.786
  348   2HG2  THR  49          3HG2      THR  49   6.642   6.316  -6.359
  349   3HG2  THR  49          1HG2      THR  49   7.645   5.630  -5.055
  350    H    LEU  50           H        LEU  50   4.489   6.061  -1.805
  351    HA   LEU  50           HA       LEU  50   1.627   6.038  -1.557
  352   1HB   LEU  50          1HB       LEU  50   3.386   5.040  -0.063
  353   2HB   LEU  50          2HB       LEU  50   3.780   6.696   0.474
  354    HG   LEU  50           HG       LEU  50   1.593   6.921   1.514
  355   1HD1  LEU  50          3HD1      LEU  50   1.092   4.291   0.137
  356   2HD1  LEU  50          1HD1      LEU  50   0.246   4.704   1.650
  357   3HD1  LEU  50          2HD1      LEU  50   0.065   5.746   0.216
  358   1HD2  LEU  50          3HD2      LEU  50   3.130   4.378   2.084
  359   2HD2  LEU  50          2HD2      LEU  50   3.277   5.965   2.882
  360   3HD2  LEU  50          1HD2      LEU  50   1.813   4.977   3.126
  361    H    SER  51           H        SER  51   0.287   7.677  -1.721
  362    HA   SER  51           HA       SER  51   1.372  10.447  -1.726
  363   1HB   SER  51          2HB       SER  51  -0.111   9.589  -3.652
  364   2HB   SER  51          1HB       SER  51  -1.451   9.708  -2.476
  365    HG   SER  51           HG       SER  51  -1.223  11.832  -2.218
  366    H    HIS  52           H        HIS  52  -0.800   8.142  -0.194
  367    HA   HIS  52           HA       HIS  52  -0.239   9.171   2.385
  368   1HB   HIS  52          2HB       HIS  52  -2.439  10.067   3.040
  369   2HB   HIS  52          1HB       HIS  52  -1.657  11.089   1.798
  370    HD1  HIS  52           HD1      HIS  52  -4.890   9.668   2.554
  371    HD2  HIS  52           HD2      HIS  52  -2.636  10.097  -0.920
  372    HE1  HIS  52           HE1      HIS  52  -6.405   9.063   0.649
  373    HE2  HIS  52           HE2      HIS  52  -5.086   9.461  -1.461
  374    H    PHE  53           H        PHE  53  -1.229   7.977   4.034
  375    HA   PHE  53           HA       PHE  53  -2.204   5.365   3.470
  376   1HB   PHE  53          1HB       PHE  53  -2.508   7.074   5.976
  377   2HB   PHE  53          2HB       PHE  53  -3.070   5.382   5.837
  378    HD1  PHE  53           HD2      PHE  53   0.133   7.348   5.203
  379    HD2  PHE  53           HD1      PHE  53  -1.753   3.778   6.578
  380    HE1  PHE  53           HE2      PHE  53   2.236   6.655   6.334
  381    HE2  PHE  53           HE1      PHE  53   0.445   2.846   7.172
  382    HZ   PHE  53           HZ       PHE  53   2.421   4.327   7.174
  383    H    GLY  54           H        GLY  54  -4.427   4.755   4.591
  384   1HA   GLY  54          1HA       GLY  54  -6.729   4.915   4.750
  385   2HA   GLY  54          2HA       GLY  54  -6.565   6.689   4.665
  386    H    LYS  55           H        LYS  55  -8.627   6.148   3.388
  387    HA   LYS  55           HA       LYS  55  -8.156   5.153   0.711
  388   1HB   LYS  55          1HB       LYS  55 -10.643   5.581   0.497
  389   2HB   LYS  55          2HB       LYS  55 -10.140   4.426   1.765
  390   1HG   LYS  55          2HG       LYS  55 -10.363   7.213   2.704
  391   2HG   LYS  55          1HG       LYS  55 -11.900   6.524   2.111
  392   1HD   LYS  55          2HD       LYS  55 -12.102   5.217   3.910
  393   2HD   LYS  55          1HD       LYS  55 -10.460   4.652   3.771
  394   1HE   LYS  55          1HE       LYS  55 -10.587   5.648   5.859
  395   2HE   LYS  55          2HE       LYS  55  -9.691   6.794   4.824
  396   1HZ   LYS  55          1HZ       LYS  55 -11.843   7.792   4.465
  397   2HZ   LYS  55          2HZ       LYS  55 -12.394   6.895   5.703
  398   3HZ   LYS  55          3HZ       LYS  55 -11.163   7.973   5.931
  399    H    CYS  56           H        CYS  56  -8.772   6.207  -1.224
  400    HA   CYS  56           HA       CYS  56  -7.650   8.813  -1.181
  401   1HB   CYS  56          1HB       CYS  56  -7.563   6.682  -2.855
  402   2HB   CYS  56          2HB       CYS  56  -8.721   7.718  -3.734
   
  Start of MODEL           8
 Raw file had 402 H/Q atoms
  Start of MODEL    8
    1   1H    LEU   1          1H        LEU   1   9.812  16.413   8.116
    2   2H    LEU   1          3H        LEU   1  10.846  17.309   7.221
    3   3H    LEU   1          2H        LEU   1   9.747  16.351   6.484
    4    HA   LEU   1           HA       LEU   1  11.667  15.179   6.249
    5   1HB   LEU   1          2HB       LEU   1  12.470  16.852   8.232
    6   2HB   LEU   1          1HB       LEU   1  12.398  15.303   9.120
    7    HG   LEU   1           HG       LEU   1  14.010  15.785   6.602
    8   1HD1  LEU   1          2HD1      LEU   1  14.817  15.700   9.527
    9   2HD1  LEU   1          1HD1      LEU   1  15.950  15.669   8.152
   10   3HD1  LEU   1          3HD1      LEU   1  14.921  17.097   8.426
   11   1HD2  LEU   1          2HD2      LEU   1  13.656  13.494   8.545
   12   2HD2  LEU   1          3HD2      LEU   1  13.452  13.498   6.774
   13   3HD2  LEU   1          1HD2      LEU   1  15.081  13.633   7.484
   14    H    ALA   2           H        ALA   2   8.867  14.741   7.060
   15    HA   ALA   2           HA       ALA   2   9.132  12.300   8.738
   16   1HB   ALA   2          1HB       ALA   2   7.706  14.416   9.334
   17   2HB   ALA   2          3HB       ALA   2   6.536  13.698   8.197
   18   3HB   ALA   2          2HB       ALA   2   7.071  12.776   9.625
   19    H    ALA   3           H        ALA   3   7.355  13.625   5.926
   20    HA   ALA   3           HA       ALA   3   6.645  12.644   3.980
   21   1HB   ALA   3          1HB       ALA   3   9.142  12.111   4.105
   22   2HB   ALA   3          3HB       ALA   3   8.646  10.465   4.573
   23   3HB   ALA   3          2HB       ALA   3   8.140  11.135   3.001
   24    H    VAL   4           H        VAL   4   6.497   9.999   3.160
   25    HA   VAL   4           HA       VAL   4   5.419   8.337   5.240
   26    HB   VAL   4           HB       VAL   4   3.487   9.824   4.672
   27   1HG1  VAL   4          1HG1      VAL   4   3.559   8.335   2.035
   28   2HG1  VAL   4          2HG1      VAL   4   2.170   9.273   2.635
   29   3HG1  VAL   4          3HG1      VAL   4   3.715  10.089   2.295
   30   1HG2  VAL   4          3HG2      VAL   4   3.466   6.857   4.641
   31   2HG2  VAL   4          1HG2      VAL   4   2.727   8.009   5.779
   32   3HG2  VAL   4          2HG2      VAL   4   1.951   7.686   4.209
   33    H    SER   5           H        SER   5   6.117   6.391   4.849
   34    HA   SER   5           HA       SER   5   6.014   5.314   2.154
   35   1HB   SER   5          2HB       SER   5   8.213   6.095   1.913
   36   2HB   SER   5          1HB       SER   5   8.669   5.623   3.575
   37    HG   SER   5           HG       SER   5   8.654   4.277   1.148
   38    H    VAL   6           H        VAL   6   4.597   3.834   2.696
   39    HA   VAL   6           HA       VAL   6   4.953   1.806   4.705
   40    HB   VAL   6           HB       VAL   6   3.580   1.814   2.012
   41   1HG1  VAL   6          3HG1      VAL   6   3.625  -0.285   4.179
   42   2HG1  VAL   6          2HG1      VAL   6   2.279  -0.148   3.023
   43   3HG1  VAL   6          1HG1      VAL   6   3.930  -0.465   2.436
   44   1HG2  VAL   6          3HG2      VAL   6   2.803   3.368   3.921
   45   2HG2  VAL   6          1HG2      VAL   6   1.599   2.368   3.073
   46   3HG2  VAL   6          2HG2      VAL   6   2.195   1.875   4.677
   47    H    ASP   7           H        ASP   7   5.546  -0.445   4.115
   48    HA   ASP   7           HA       ASP   7   8.026  -0.332   2.508
   49   1HB   ASP   7          2HB       ASP   7   7.411  -1.292   5.166
   50   2HB   ASP   7          1HB       ASP   7   8.212  -2.542   4.169
   51    H    CYS   8           H        CYS   8   8.354  -1.554   0.830
   52    HA   CYS   8           HA       CYS   8   6.292  -3.599   0.173
   53   1HB   CYS   8          2HB       CYS   8   7.213  -1.351  -1.628
   54   2HB   CYS   8          1HB       CYS   8   5.992  -2.602  -1.983
   55    H    SER   9           H        SER   9   8.943  -4.132   1.038
   56    HA   SER   9           HA       SER   9  10.682  -4.439  -1.344
   57   1HB   SER   9          2HB       SER   9  11.202  -4.102   1.405
   58   2HB   SER   9          1HB       SER   9  11.661  -5.781   1.002
   59    HG   SER   9           HG       SER   9  13.276  -5.195  -0.109
   60    H    GLU  10           H        GLU  10   8.242  -6.027   0.485
   61    HA   GLU  10           HA       GLU  10   9.367  -8.694   0.010
   62   1HB   GLU  10          2HB       GLU  10   7.034  -7.729   1.588
   63   2HB   GLU  10          1HB       GLU  10   7.708  -9.250   1.752
   64   1HG   GLU  10          1HG       GLU  10   8.369  -8.112   3.652
   65   2HG   GLU  10          2HG       GLU  10   9.771  -8.023   2.547
   66    OH   TYR  11           OH       TYR  11   3.251  -6.916   2.563
   67    H    TYR  11           H        TYR  11   7.991  -7.186  -2.153
   68    HA   TYR  11           HA       TYR  11   5.569  -8.868  -2.560
   69   1HB   TYR  11          1HB       TYR  11   5.983  -5.871  -2.867
   70   2HB   TYR  11          2HB       TYR  11   4.542  -6.747  -3.455
   71    HD1  TYR  11           HD2      TYR  11   6.498  -5.966  -0.387
   72    HD2  TYR  11           HD1      TYR  11   2.775  -7.321  -1.932
   73    HE1  TYR  11           HE2      TYR  11   5.584  -6.028   1.891
   74    HE2  TYR  11           HE1      TYR  11   1.869  -7.455   0.349
   75    HH   TYR  11           HH       TYR  11   3.620  -6.027   3.067
   76    HA   PRO  12           HA       PRO  12   3.930  -8.327  -4.087
   77   1HB   PRO  12          1HB       PRO  12   2.971  -9.187  -6.523
   78   2HB   PRO  12          2HB       PRO  12   3.525  -7.513  -6.240
   79   1HG   PRO  12          1HG       PRO  12   4.689  -9.525  -7.965
   80   2HG   PRO  12          2HG       PRO  12   5.217  -7.837  -7.715
   81   1HD   PRO  12          2HD       PRO  12   6.278 -10.363  -6.489
   82   2HD   PRO  12          1HD       PRO  12   7.108  -8.810  -6.781
   83    H    LYS  13           H        LYS  13   2.186  -9.821  -3.857
   84    HA   LYS  13           HA       LYS  13   3.449 -12.322  -2.826
   85   1HB   LYS  13          1HB       LYS  13   1.007 -10.813  -1.834
   86   2HB   LYS  13          2HB       LYS  13   1.595 -12.378  -1.204
   87   1HG   LYS  13          2HG       LYS  13   3.762 -11.225  -0.617
   88   2HG   LYS  13          1HG       LYS  13   2.981  -9.677  -1.052
   89   1HD   LYS  13          2HD       LYS  13   1.893  -9.585   0.894
   90   2HD   LYS  13          1HD       LYS  13   1.341 -11.232   0.743
   91   1HE   LYS  13          1HE       LYS  13   3.165 -12.135   1.808
   92   2HE   LYS  13          2HE       LYS  13   4.173 -10.686   1.542
   93   1HZ   LYS  13          1HZ       LYS  13   1.827 -10.770   3.173
   94   2HZ   LYS  13          2HZ       LYS  13   3.342 -11.002   3.715
   95   3HZ   LYS  13          3HZ       LYS  13   2.908  -9.566   3.019
   96    HA   PRO  14           HA       PRO  14   0.041 -14.392  -5.148
   97   1HB   PRO  14          1HB       PRO  14   0.406 -16.815  -3.823
   98   2HB   PRO  14          2HB       PRO  14   1.466 -16.198  -5.120
   99   1HG   PRO  14          2HG       PRO  14   2.131 -16.637  -2.361
  100   2HG   PRO  14          1HG       PRO  14   3.167 -15.948  -3.642
  101   1HD   PRO  14          2HD       PRO  14   1.610 -14.537  -1.495
  102   2HD   PRO  14          1HD       PRO  14   3.092 -14.024  -2.345
  103    H    ALA  15           H        ALA  15  -0.143 -13.850  -1.750
  104    HA   ALA  15           HA       ALA  15  -3.062 -13.943  -1.958
  105   1HB   ALA  15          1HB       ALA  15  -1.753 -16.242  -1.117
  106   2HB   ALA  15          2HB       ALA  15  -2.232 -15.435   0.399
  107   3HB   ALA  15          3HB       ALA  15  -3.460 -15.813  -0.837
  108    H    CYS  16           H        CYS  16  -4.095 -12.819  -0.324
  109    HA   CYS  16           HA       CYS  16  -2.322 -11.179   1.415
  110   1HB   CYS  16          2HB       CYS  16  -4.460 -10.141  -0.465
  111   2HB   CYS  16          1HB       CYS  16  -3.451  -9.180   0.653
  112    H    THR  17           H        THR  17  -3.497  -9.896   2.998
  113    HA   THR  17           HA       THR  17  -5.886 -11.223   4.101
  114    HB   THR  17           HB       THR  17  -5.721  -9.025   5.638
  115    HG1  THR  17           HG1      THR  17  -3.938  -8.291   5.788
  116   1HG2  THR  17          1HG2      THR  17  -4.866 -11.652   5.963
  117   2HG2  THR  17          3HG2      THR  17  -3.458 -10.666   6.433
  118   3HG2  THR  17          2HG2      THR  17  -5.031 -10.412   7.232
  119    H    LEU  18           H        LEU  18  -7.896 -10.280   4.196
  120    HA   LEU  18           HA       LEU  18  -8.375  -8.655   1.832
  121   1HB   LEU  18          1HB       LEU  18 -10.348  -9.839   1.698
  122   2HB   LEU  18          2HB       LEU  18  -9.227 -10.997   2.468
  123    HG   LEU  18           HG       LEU  18 -10.301 -10.162   4.685
  124   1HD1  LEU  18          1HD1      LEU  18 -11.954  -8.888   2.623
  125   2HD1  LEU  18          3HD1      LEU  18 -12.889  -9.888   3.763
  126   3HD1  LEU  18          2HD1      LEU  18 -11.854  -8.573   4.374
  127   1HD2  LEU  18          3HD2      LEU  18 -11.183 -12.085   2.603
  128   2HD2  LEU  18          1HD2      LEU  18 -10.700 -12.360   4.296
  129   3HD2  LEU  18          2HD2      LEU  18 -12.339 -11.770   3.923
  130    H    GLU  19           H        GLU  19  -8.559  -8.258   5.256
  131    HA   GLU  19           HA       GLU  19 -10.903  -6.574   5.445
  132   1HB   GLU  19          1HB       GLU  19 -10.377  -6.472   7.623
  133   2HB   GLU  19          2HB       GLU  19  -9.752  -7.944   7.138
  134   1HG   GLU  19          1HG       GLU  19  -7.763  -5.811   7.220
  135   2HG   GLU  19          2HG       GLU  19  -8.540  -6.352   8.733
  136    OH   TYR  20           OH       TYR  20 -10.990   2.184   0.442
  137    H    TYR  20           H        TYR  20 -11.079  -4.410   5.346
  138    HA   TYR  20           HA       TYR  20  -9.210  -3.351   3.435
  139   1HB   TYR  20          1HB       TYR  20 -11.587  -3.208   3.017
  140   2HB   TYR  20          2HB       TYR  20 -11.843  -2.263   4.513
  141    HD1  TYR  20           HD2      TYR  20 -10.107  -2.149   1.212
  142    HD2  TYR  20           HD1      TYR  20 -11.922   0.073   4.349
  143    HE1  TYR  20           HE2      TYR  20 -10.180  -0.172  -0.242
  144    HE2  TYR  20           HE1      TYR  20 -11.921   2.084   2.936
  145    HH   TYR  20           HH       TYR  20 -10.829   3.011   1.130
  146    NH1  ARG  21           NH1      ARG  21  -5.218  -2.462  10.239
  147    NH2  ARG  21           NH2      ARG  21  -3.417  -1.053  10.010
  148    H    ARG  21           H        ARG  21  -7.541  -2.148   3.820
  149    HA   ARG  21           HA       ARG  21  -7.700  -0.053   5.884
  150   1HB   ARG  21          1HB       ARG  21  -5.068  -1.400   5.511
  151   2HB   ARG  21          2HB       ARG  21  -5.701  -0.466   6.898
  152   1HG   ARG  21          2HG       ARG  21  -7.000  -2.319   7.661
  153   2HG   ARG  21          1HG       ARG  21  -6.694  -3.232   6.155
  154   1HD   ARG  21          2HD       ARG  21  -5.377  -3.894   8.218
  155   2HD   ARG  21          1HD       ARG  21  -4.473  -3.629   6.701
  156    HE   ARG  21           HE       ARG  21  -3.635  -1.573   7.594
  157   1HH1  ARG  21          2HH1      ARG  21  -5.915  -3.055   9.835
  158   2HH1  ARG  21          1HH1      ARG  21  -5.240  -2.262  11.219
  159   1HH2  ARG  21          2HH2      ARG  21  -2.730  -0.610   9.435
  160   2HH2  ARG  21          1HH2      ARG  21  -3.453  -0.859  10.990
  161    HA   PRO  22           HA       PRO  22  -6.757   1.039   1.456
  162   1HB   PRO  22          1HB       PRO  22  -7.811   3.588   1.682
  163   2HB   PRO  22          2HB       PRO  22  -8.805   2.129   1.430
  164   1HG   PRO  22          2HG       PRO  22  -8.616   3.856   3.782
  165   2HG   PRO  22          1HG       PRO  22  -9.782   2.551   3.435
  166   1HD   PRO  22          2HD       PRO  22  -7.425   2.491   5.202
  167   2HD   PRO  22          1HD       PRO  22  -8.727   1.286   5.026
  168    H    LEU  23           H        LEU  23  -5.011   1.452   0.585
  169    HA   LEU  23           HA       LEU  23  -3.403   3.681   1.735
  170   1HB   LEU  23          1HB       LEU  23  -2.444   1.015   0.658
  171   2HB   LEU  23          2HB       LEU  23  -1.398   2.391   1.107
  172    HG   LEU  23           HG       LEU  23  -2.956   1.925   3.374
  173   1HD1  LEU  23          2HD1      LEU  23  -3.396  -0.321   2.004
  174   2HD1  LEU  23          1HD1      LEU  23  -1.821  -0.752   2.718
  175   3HD1  LEU  23          3HD1      LEU  23  -3.182  -0.299   3.774
  176   1HD2  LEU  23          2HD2      LEU  23  -0.173   0.953   2.631
  177   2HD2  LEU  23          3HD2      LEU  23  -0.604   2.527   3.347
  178   3HD2  LEU  23          1HD2      LEU  23  -0.823   1.030   4.289
  179    H    CYS  24           H        CYS  24  -2.969   5.243   0.364
  180    HA   CYS  24           HA       CYS  24  -4.257   4.955  -2.274
  181   1HB   CYS  24          2HB       CYS  24  -4.927   6.730  -0.631
  182   2HB   CYS  24          1HB       CYS  24  -3.335   7.489  -0.908
  183    H    GLY  25           H        GLY  25  -3.322   5.815  -4.173
  184   1HA   GLY  25          2HA       GLY  25  -0.351   5.698  -4.160
  185   2HA   GLY  25          1HA       GLY  25  -1.418   5.273  -5.523
  186    H    SER  26           H        SER  26   0.587   6.873  -6.150
  187    HA   SER  26           HA       SER  26  -0.258   9.631  -6.131
  188   1HB   SER  26          2HB       SER  26   2.104   8.964  -6.200
  189   2HB   SER  26          1HB       SER  26   1.860   8.282  -7.833
  190    HG   SER  26           HG       SER  26   1.994  10.942  -6.819
  191    H    ASP  27           H        ASP  27  -0.834   6.874  -8.157
  192    HA   ASP  27           HA       ASP  27  -1.912   8.232 -10.425
  193   1HB   ASP  27          2HB       ASP  27  -3.077   6.180 -10.908
  194   2HB   ASP  27          1HB       ASP  27  -1.365   5.885 -10.483
  195    H    ASN  28           H        ASN  28  -2.930   7.943  -7.156
  196    HA   ASN  28           HA       ASN  28  -4.612   8.977  -6.041
  197   1HB   ASN  28          2HB       ASN  28  -4.183  10.771  -7.859
  198   2HB   ASN  28          1HB       ASN  28  -5.741  10.201  -8.522
  199   1HD2  ASN  28          2HD2      ASN  28  -5.781  12.932  -5.672
  200   2HD2  ASN  28          1HD2      ASN  28  -4.484  12.603  -6.772
  201    H    LYS  29           H        LYS  29  -4.735   6.351  -7.343
  202    HA   LYS  29           HA       LYS  29  -7.641   6.046  -6.745
  203   1HB   LYS  29          2HB       LYS  29  -5.831   4.004  -8.080
  204   2HB   LYS  29          1HB       LYS  29  -7.550   3.792  -7.648
  205   1HG   LYS  29          2HG       LYS  29  -6.379   5.635  -9.762
  206   2HG   LYS  29          1HG       LYS  29  -7.431   4.212 -10.005
  207   1HD   LYS  29          1HD       LYS  29  -8.144   6.828  -8.676
  208   2HD   LYS  29          2HD       LYS  29  -8.601   6.359 -10.290
  209   1HE   LYS  29          1HE       LYS  29 -10.136   4.807  -9.558
  210   2HE   LYS  29          2HE       LYS  29  -9.340   4.607  -7.974
  211   1HZ   LYS  29          1HZ       LYS  29 -10.577   7.032  -8.821
  212   2HZ   LYS  29          2HZ       LYS  29 -11.381   5.835  -8.071
  213   3HZ   LYS  29          3HZ       LYS  29 -10.103   6.581  -7.332
  214    H    THR  30           H        THR  30  -7.917   3.802  -5.601
  215    HA   THR  30           HA       THR  30  -6.128   4.032  -3.227
  216    HB   THR  30           HB       THR  30  -8.622   2.525  -2.773
  217    HG1  THR  30           HG1      THR  30  -8.654   5.176  -3.441
  218   1HG2  THR  30          2HG2      THR  30  -7.047   4.623  -1.416
  219   2HG2  THR  30          3HG2      THR  30  -8.796   4.613  -1.078
  220   3HG2  THR  30          1HG2      THR  30  -7.824   3.146  -0.790
  221    OH   TYR  31           OH       TYR  31  -2.246   1.717  -7.817
  222    H    TYR  31           H        TYR  31  -5.843   2.033  -1.981
  223    HA   TYR  31           HA       TYR  31  -6.006  -0.434  -3.652
  224   1HB   TYR  31          1HB       TYR  31  -3.723   0.613  -1.945
  225   2HB   TYR  31          2HB       TYR  31  -3.821  -1.062  -2.561
  226    HD1  TYR  31           HD2      TYR  31  -3.843  -1.432  -5.045
  227    HD2  TYR  31           HD1      TYR  31  -3.037   2.407  -3.401
  228    HE1  TYR  31           HE2      TYR  31  -3.049  -0.668  -7.239
  229    HE2  TYR  31           HE1      TYR  31  -2.229   3.180  -5.589
  230    HH   TYR  31           HH       TYR  31  -3.105   2.300  -8.146
  231    H    GLY  32           H        GLY  32  -6.612  -2.275  -2.696
  232   1HA   GLY  32          1HA       GLY  32  -8.338  -2.174  -0.623
  233   2HA   GLY  32          2HA       GLY  32  -7.555  -3.693  -1.133
  234    H    ASN  33           H        ASN  33  -4.920  -3.196  -0.379
  235    HA   ASN  33           HA       ASN  33  -4.678  -1.809   2.151
  236   1HB   ASN  33          2HB       ASN  33  -4.270  -3.636   3.581
  237   2HB   ASN  33          1HB       ASN  33  -5.857  -3.876   2.799
  238   1HD2  ASN  33          2HD2      ASN  33  -4.487  -7.201   2.691
  239   2HD2  ASN  33          1HD2      ASN  33  -5.207  -6.091   3.808
  240    H    LYS  34           H        LYS  34  -2.428  -3.310   3.061
  241    HA   LYS  34           HA       LYS  34  -0.524  -1.832   1.471
  242   1HB   LYS  34          1HB       LYS  34   1.134  -2.724   3.112
  243   2HB   LYS  34          2HB       LYS  34  -0.228  -1.825   3.838
  244   1HG   LYS  34          2HG       LYS  34  -0.377  -3.559   5.258
  245   2HG   LYS  34          1HG       LYS  34  -1.144  -4.430   3.899
  246   1HD   LYS  34          1HD       LYS  34   0.627  -5.694   5.027
  247   2HD   LYS  34          2HD       LYS  34   0.909  -5.474   3.321
  248   1HE   LYS  34          1HE       LYS  34   2.822  -4.412   3.671
  249   2HE   LYS  34          2HE       LYS  34   2.098  -3.335   4.894
  250   1HZ   LYS  34          1HZ       LYS  34   2.249  -5.161   6.368
  251   2HZ   LYS  34          2HZ       LYS  34   3.068  -5.997   5.240
  252   3HZ   LYS  34          3HZ       LYS  34   3.678  -4.585   5.847
  253    H    CYS  35           H        CYS  35  -1.579  -5.138   1.636
  254    HA   CYS  35           HA       CYS  35   0.486  -6.246   0.005
  255   1HB   CYS  35          2HB       CYS  35  -1.377  -7.435   1.315
  256   2HB   CYS  35          1HB       CYS  35  -2.394  -7.113  -0.118
  257    H    ASN  36           H        ASN  36  -2.719  -4.876  -0.826
  258    HA   ASN  36           HA       ASN  36  -2.221  -5.311  -3.604
  259   1HB   ASN  36          2HB       ASN  36  -4.499  -4.060  -2.094
  260   2HB   ASN  36          1HB       ASN  36  -4.442  -4.126  -3.880
  261   1HD2  ASN  36          2HD2      ASN  36  -4.981  -7.554  -1.634
  262   2HD2  ASN  36          1HD2      ASN  36  -4.558  -6.043  -0.897
  263    H    PHE  37           H        PHE  37  -1.840  -2.594  -1.467
  264    HA   PHE  37           HA       PHE  37  -1.262  -0.636  -3.507
  265   1HB   PHE  37          1HB       PHE  37  -1.664   0.188  -1.295
  266   2HB   PHE  37          2HB       PHE  37  -0.400  -0.847  -0.587
  267    HD1  PHE  37           HD1      PHE  37  -0.973   1.873  -3.002
  268    HD2  PHE  37           HD2      PHE  37   1.788   0.129  -0.267
  269    HE1  PHE  37           HE1      PHE  37   0.631   3.659  -3.514
  270    HE2  PHE  37           HE2      PHE  37   3.433   1.901  -0.788
  271    HZ   PHE  37           HZ       PHE  37   2.816   3.700  -2.376
  272    H    CYS  38           H        CYS  38   0.833  -2.737  -1.478
  273    HA   CYS  38           HA       CYS  38   3.135  -1.837  -2.810
  274   1HB   CYS  38          2HB       CYS  38   2.651  -4.112  -0.887
  275   2HB   CYS  38          1HB       CYS  38   4.266  -3.737  -1.553
  276    H    ASN  39           H        ASN  39   0.981  -4.439  -3.552
  277    HA   ASN  39           HA       ASN  39   2.685  -5.801  -5.434
  278   1HB   ASN  39          2HB       ASN  39  -0.317  -5.610  -5.205
  279   2HB   ASN  39          1HB       ASN  39   0.541  -6.561  -6.451
  280   1HD2  ASN  39          2HD2      ASN  39  -0.435  -8.572  -3.355
  281   2HD2  ASN  39          1HD2      ASN  39  -1.291  -7.607  -4.509
  282    H    ALA  40           H        ALA  40   0.313  -3.150  -5.685
  283    HA   ALA  40           HA       ALA  40   0.608  -2.922  -8.523
  284   1HB   ALA  40          2HB       ALA  40  -0.859  -1.558  -6.359
  285   2HB   ALA  40          3HB       ALA  40  -0.447  -0.533  -7.758
  286   3HB   ALA  40          1HB       ALA  40  -1.377  -2.035  -7.995
  287    H    VAL  41           H        VAL  41   2.396  -1.670  -5.828
  288    HA   VAL  41           HA       VAL  41   3.834   0.248  -7.429
  289    HB   VAL  41           HB       VAL  41   4.410  -0.943  -4.708
  290   1HG1  VAL  41          1HG1      VAL  41   5.864   1.109  -6.311
  291   2HG1  VAL  41          3HG1      VAL  41   5.689   1.378  -4.559
  292   3HG1  VAL  41          2HG1      VAL  41   6.476  -0.102  -5.159
  293   1HG2  VAL  41          1HG2      VAL  41   2.287   0.549  -5.281
  294   2HG2  VAL  41          2HG2      VAL  41   3.178   0.700  -3.746
  295   3HG2  VAL  41          3HG2      VAL  41   3.473   1.859  -5.065
  296    H    VAL  42           H        VAL  42   4.858  -2.836  -5.906
  297    HA   VAL  42           HA       VAL  42   7.295  -2.926  -7.245
  298    HB   VAL  42           HB       VAL  42   6.818  -4.117  -5.205
  299   1HG1  VAL  42          2HG1      VAL  42   4.514  -5.047  -6.429
  300   2HG1  VAL  42          3HG1      VAL  42   5.548  -6.492  -6.320
  301   3HG1  VAL  42          1HG1      VAL  42   5.164  -5.559  -4.853
  302   1HG2  VAL  42          1HG2      VAL  42   8.201  -5.203  -7.463
  303   2HG2  VAL  42          2HG2      VAL  42   8.590  -5.327  -5.730
  304   3HG2  VAL  42          3HG2      VAL  42   7.527  -6.535  -6.493
  305    H    GLU  43           H        GLU  43   4.154  -3.712  -8.427
  306    HA   GLU  43           HA       GLU  43   5.141  -5.052 -10.858
  307   1HB   GLU  43          1HB       GLU  43   2.994  -5.591  -9.971
  308   2HB   GLU  43          2HB       GLU  43   2.621  -3.978  -9.743
  309   1HG   GLU  43          2HG       GLU  43   2.026  -3.519 -11.796
  310   2HG   GLU  43          1HG       GLU  43   2.819  -4.944 -12.527
  311    H    SER  44           H        SER  44   3.948  -1.867  -9.765
  312    HA   SER  44           HA       SER  44   4.052  -0.537 -12.168
  313   1HB   SER  44          2HB       SER  44   3.049   0.541 -10.345
  314   2HB   SER  44          1HB       SER  44   4.547   0.505  -9.371
  315    HG   SER  44           HG       SER  44   4.115   1.835 -11.923
  316    H    ASN  45           H        ASN  45   6.721  -1.644 -10.274
  317    HA   ASN  45           HA       ASN  45   8.970  -1.523 -10.543
  318   1HB   ASN  45          1HB       ASN  45   8.211  -1.797 -13.012
  319   2HB   ASN  45          2HB       ASN  45   8.736  -0.095 -13.156
  320   1HD2  ASN  45          2HD2      ASN  45  11.425  -3.148 -12.994
  321   2HD2  ASN  45          1HD2      ASN  45   9.712  -3.407 -12.947
  322    H    GLY  46           H        GLY  46   8.053   0.120  -8.815
  323   1HA   GLY  46          1HA       GLY  46   8.792   1.895  -7.545
  324   2HA   GLY  46          2HA       GLY  46  10.255   1.764  -8.558
  325    H    THR  47           H        THR  47   7.016   2.580  -9.741
  326    HA   THR  47           HA       THR  47   7.816   5.449  -9.894
  327    HB   THR  47           HB       THR  47   8.010   4.097 -12.082
  328    HG1  THR  47           HG1      THR  47   6.245   6.173 -11.878
  329   1HG2  THR  47          2HG2      THR  47   5.004   4.096 -11.834
  330   2HG2  THR  47          3HG2      THR  47   5.839   4.036 -13.407
  331   3HG2  THR  47          1HG2      THR  47   6.115   2.752 -12.202
  332    H    LEU  48           H        LEU  48   5.362   3.094  -9.185
  333    HA   LEU  48           HA       LEU  48   3.459   5.242  -8.517
  334   1HB   LEU  48          1HB       LEU  48   2.489   3.407  -9.584
  335   2HB   LEU  48          2HB       LEU  48   3.411   2.228  -8.608
  336    HG   LEU  48           HG       LEU  48   2.030   3.104  -6.624
  337   1HD1  LEU  48          1HD1      LEU  48   1.148   4.993  -8.265
  338   2HD1  LEU  48          2HD1      LEU  48  -0.041   3.737  -8.692
  339   3HD1  LEU  48          3HD1      LEU  48   0.100   4.293  -7.004
  340   1HD2  LEU  48          3HD2      LEU  48   1.321   1.303  -8.876
  341   2HD2  LEU  48          1HD2      LEU  48   1.499   0.957  -7.137
  342   3HD2  LEU  48          2HD2      LEU  48   0.002   1.705  -7.748
  343    H    THR  49           H        THR  49   3.086   5.993  -6.549
  344    HA   THR  49           HA       THR  49   4.454   4.749  -4.223
  345    HB   THR  49           HB       THR  49   5.641   6.814  -3.712
  346    HG1  THR  49           HG1      THR  49   5.484   8.451  -4.817
  347   1HG2  THR  49          1HG2      THR  49   6.739   5.343  -5.398
  348   2HG2  THR  49          2HG2      THR  49   6.046   6.369  -6.678
  349   3HG2  THR  49          3HG2      THR  49   7.208   7.058  -5.515
  350    H    LEU  50           H        LEU  50   3.972   5.933  -2.192
  351    HA   LEU  50           HA       LEU  50   1.068   6.347  -2.225
  352   1HB   LEU  50          1HB       LEU  50   1.255   4.645  -0.869
  353   2HB   LEU  50          2HB       LEU  50   3.022   4.819  -0.775
  354    HG   LEU  50           HG       LEU  50   1.309   6.541   0.996
  355   1HD1  LEU  50          1HD1      LEU  50   0.425   4.163   1.027
  356   2HD1  LEU  50          3HD1      LEU  50   2.019   3.679   1.663
  357   3HD1  LEU  50          2HD1      LEU  50   1.001   4.818   2.581
  358   1HD2  LEU  50          1HD2      LEU  50   3.784   6.732   0.873
  359   2HD2  LEU  50          2HD2      LEU  50   3.192   6.244   2.482
  360   3HD2  LEU  50          3HD2      LEU  50   3.913   5.033   1.391
  361    H    SER  51           H        SER  51   0.052   8.086  -1.533
  362    HA   SER  51           HA       SER  51   1.716  10.467  -0.922
  363   1HB   SER  51          2HB       SER  51   0.001  10.629  -2.722
  364   2HB   SER  51          1HB       SER  51  -1.258  10.337  -1.489
  365    HG   SER  51           HG       SER  51  -0.119  12.607  -2.302
  366    H    HIS  52           H        HIS  52  -0.766   8.294   0.327
  367    HA   HIS  52           HA       HIS  52   0.226   8.692   3.031
  368   1HB   HIS  52          2HB       HIS  52  -1.997   9.389   3.960
  369   2HB   HIS  52          1HB       HIS  52  -1.173  10.661   3.013
  370    HD1  HIS  52           HD1      HIS  52  -4.467   9.304   3.422
  371    HD2  HIS  52           HD2      HIS  52  -2.157  10.322   0.110
  372    HE1  HIS  52           HE1      HIS  52  -6.008   9.261   1.444
  373    HE2  HIS  52           HE2      HIS  52  -4.640   9.991  -0.542
  374    H    PHE  53           H        PHE  53  -0.718   7.253   4.533
  375    HA   PHE  53           HA       PHE  53  -1.938   4.815   3.614
  376   1HB   PHE  53          1HB       PHE  53  -1.885   6.089   6.383
  377   2HB   PHE  53          2HB       PHE  53  -2.592   4.490   6.013
  378    HD1  PHE  53           HD2      PHE  53   0.653   6.042   4.801
  379    HD2  PHE  53           HD1      PHE  53  -1.305   2.987   7.041
  380    HE1  PHE  53           HE2      PHE  53   2.852   5.168   5.545
  381    HE2  PHE  53           HE1      PHE  53   0.845   1.832   7.349
  382    HZ   PHE  53           HZ       PHE  53   2.936   2.990   6.730
  383    H    GLY  54           H        GLY  54  -4.133   4.306   4.937
  384   1HA   GLY  54          1HA       GLY  54  -6.424   4.595   5.009
  385   2HA   GLY  54          2HA       GLY  54  -6.137   6.352   5.098
  386    H    LYS  55           H        LYS  55  -8.222   5.947   3.722
  387    HA   LYS  55           HA       LYS  55  -7.682   5.281   0.961
  388   1HB   LYS  55          1HB       LYS  55 -10.050   5.568   0.618
  389   2HB   LYS  55          2HB       LYS  55  -9.761   4.623   2.105
  390   1HG   LYS  55          1HG       LYS  55 -10.135   7.582   2.383
  391   2HG   LYS  55          2HG       LYS  55 -11.566   6.594   1.981
  392   1HD   LYS  55          2HD       LYS  55 -10.666   5.099   3.963
  393   2HD   LYS  55          1HD       LYS  55  -9.869   6.578   4.428
  394   1HE   LYS  55          2HE       LYS  55 -12.182   6.061   5.409
  395   2HE   LYS  55          1HE       LYS  55 -11.790   7.711   4.855
  396   1HZ   LYS  55          1HZ       LYS  55 -13.045   5.777   3.182
  397   2HZ   LYS  55          2HZ       LYS  55 -13.879   6.725   4.206
  398   3HZ   LYS  55          3HZ       LYS  55 -12.947   7.392   3.014
  399    H    CYS  56           H        CYS  56  -8.212   6.582  -0.856
  400    HA   CYS  56           HA       CYS  56  -6.838   8.995  -0.790
  401   1HB   CYS  56          1HB       CYS  56  -8.861   8.121  -2.868
  402   2HB   CYS  56          2HB       CYS  56  -7.592   9.365  -3.065
   
  Start of MODEL           9
 Raw file had 402 H/Q atoms
  Start of MODEL    9
    1   1H    LEU   1          1H        LEU   1  10.824   5.676   9.021
    2   2H    LEU   1          3H        LEU   1   9.670   5.385   7.902
    3   3H    LEU   1          2H        LEU   1  11.231   5.025   7.579
    4    HA   LEU   1           HA       LEU   1  11.890   7.166   7.331
    5   1HB   LEU   1          2HB       LEU   1   9.828   6.032   5.872
    6   2HB   LEU   1          1HB       LEU   1   9.219   7.674   6.230
    7    HG   LEU   1           HG       LEU   1  11.233   8.630   5.193
    8   1HD1  LEU   1          2HD1      LEU   1  12.378   6.187   5.573
    9   2HD1  LEU   1          1HD1      LEU   1  11.925   6.086   3.854
   10   3HD1  LEU   1          3HD1      LEU   1  12.971   7.411   4.422
   11   1HD2  LEU   1          3HD2      LEU   1   9.088   8.147   3.987
   12   2HD2  LEU   1          1HD2      LEU   1  10.528   8.188   2.936
   13   3HD2  LEU   1          2HD2      LEU   1   9.816   6.625   3.411
   14    H    ALA   2           H        ALA   2  10.745   9.526   7.156
   15    HA   ALA   2           HA       ALA   2   9.596  10.064   9.853
   16   1HB   ALA   2          1HB       ALA   2  11.730  11.245   9.106
   17   2HB   ALA   2          3HB       ALA   2  10.704  12.124   7.945
   18   3HB   ALA   2          2HB       ALA   2  10.390  12.262   9.694
   19    H    ALA   3           H        ALA   3   8.302   8.938   7.396
   20    HA   ALA   3           HA       ALA   3   6.244  11.050   6.954
   21   1HB   ALA   3          1HB       ALA   3   8.092  10.851   5.181
   22   2HB   ALA   3          3HB       ALA   3   7.342   9.288   4.768
   23   3HB   ALA   3          2HB       ALA   3   6.396  10.792   4.636
   24    H    VAL   4           H        VAL   4   4.689   9.758   5.158
   25    HA   VAL   4           HA       VAL   4   3.896   7.187   6.405
   26    HB   VAL   4           HB       VAL   4   1.952   7.245   5.004
   27   1HG1  VAL   4          3HG1      VAL   4   2.477   9.786   6.540
   28   2HG1  VAL   4          1HG1      VAL   4   0.905   9.447   5.777
   29   3HG1  VAL   4          2HG1      VAL   4   1.545   8.350   7.026
   30   1HG2  VAL   4          3HG2      VAL   4   3.261   9.621   3.710
   31   2HG2  VAL   4          2HG2      VAL   4   2.564   8.161   2.966
   32   3HG2  VAL   4          1HG2      VAL   4   1.494   9.401   3.666
   33    H    SER   5           H        SER   5   4.546   5.346   5.602
   34    HA   SER   5           HA       SER   5   4.683   4.731   2.906
   35   1HB   SER   5          2HB       SER   5   7.293   4.306   2.890
   36   2HB   SER   5          1HB       SER   5   6.573   5.840   2.320
   37    HG   SER   5           HG       SER   5   7.649   6.879   3.692
   38    H    VAL   6           H        VAL   6   5.361   2.578   2.480
   39    HA   VAL   6           HA       VAL   6   5.318   0.915   4.938
   40    HB   VAL   6           HB       VAL   6   3.508   0.930   2.516
   41   1HG1  VAL   6          2HG1      VAL   6   4.100  -1.403   3.330
   42   2HG1  VAL   6          1HG1      VAL   6   3.242  -0.990   4.834
   43   3HG1  VAL   6          3HG1      VAL   6   2.370  -0.985   3.282
   44   1HG2  VAL   6          1HG2      VAL   6   3.005   1.490   5.444
   45   2HG2  VAL   6          2HG2      VAL   6   2.902   2.625   4.077
   46   3HG2  VAL   6          3HG2      VAL   6   1.729   1.293   4.219
   47    H    ASP   7           H        ASP   7   6.110  -1.152   4.818
   48    HA   ASP   7           HA       ASP   7   8.421  -1.195   3.131
   49   1HB   ASP   7          2HB       ASP   7   7.668  -2.289   5.625
   50   2HB   ASP   7          1HB       ASP   7   8.201  -3.635   4.577
   51    H    CYS   8           H        CYS   8   8.258  -1.651   1.087
   52    HA   CYS   8           HA       CYS   8   6.326  -3.733   0.262
   53   1HB   CYS   8          2HB       CYS   8   7.604  -1.538  -1.385
   54   2HB   CYS   8          1HB       CYS   8   6.299  -2.651  -1.883
   55    H    SER   9           H        SER   9   8.951  -4.433   1.283
   56    HA   SER   9           HA       SER   9  10.800  -4.707  -0.980
   57   1HB   SER   9          2HB       SER   9  11.692  -4.161   1.201
   58   2HB   SER   9          1HB       SER   9  11.029  -5.673   1.883
   59    HG   SER   9           HG       SER   9  12.681  -6.698   1.288
   60    H    GLU  10           H        GLU  10   8.159  -6.450   0.260
   61    HA   GLU  10           HA       GLU  10   9.333  -9.073  -0.568
   62   1HB   GLU  10          2HB       GLU  10   8.004 -10.016   1.228
   63   2HB   GLU  10          1HB       GLU  10   9.424  -9.256   1.675
   64   1HG   GLU  10          2HG       GLU  10   6.614  -8.445   2.073
   65   2HG   GLU  10          1HG       GLU  10   7.786  -8.901   3.342
   66    OH   TYR  11           OH       TYR  11   3.131  -5.982   2.121
   67    H    TYR  11           H        TYR  11   7.865  -7.454  -2.278
   68    HA   TYR  11           HA       TYR  11   5.486  -9.215  -2.626
   69   1HB   TYR  11          1HB       TYR  11   5.891  -6.281  -3.334
   70   2HB   TYR  11          2HB       TYR  11   4.451  -7.247  -3.756
   71    HD1  TYR  11           HD2      TYR  11   6.384  -5.774  -0.964
   72    HD2  TYR  11           HD1      TYR  11   2.873  -7.954  -1.958
   73    HE1  TYR  11           HE2      TYR  11   5.367  -5.099   1.172
   74    HE2  TYR  11           HE1      TYR  11   1.955  -7.501   0.275
   75    HH   TYR  11           HH       TYR  11   3.981  -6.177   2.773
   76    HA   PRO  12           HA       PRO  12   3.935  -8.830  -4.179
   77   1HB   PRO  12          1HB       PRO  12   3.021  -9.476  -6.704
   78   2HB   PRO  12          2HB       PRO  12   3.666  -7.865  -6.284
   79   1HG   PRO  12          2HG       PRO  12   4.764  -9.792  -8.119
   80   2HG   PRO  12          1HG       PRO  12   5.432  -8.197  -7.665
   81   1HD   PRO  12          1HD       PRO  12   6.161 -10.930  -6.627
   82   2HD   PRO  12          2HD       PRO  12   7.169  -9.464  -6.775
   83    H    LYS  13           H        LYS  13   2.038 -10.160  -4.167
   84    HA   LYS  13           HA       LYS  13   2.993 -12.816  -3.189
   85   1HB   LYS  13          1HB       LYS  13   1.088 -10.855  -1.868
   86   2HB   LYS  13          2HB       LYS  13   1.542 -12.469  -1.251
   87   1HG   LYS  13          1HG       LYS  13   3.975 -11.105  -1.691
   88   2HG   LYS  13          2HG       LYS  13   2.884  -9.917  -0.924
   89   1HD   LYS  13          2HD       LYS  13   4.000 -10.954   0.840
   90   2HD   LYS  13          1HD       LYS  13   2.372 -11.575   0.824
   91   1HE   LYS  13          2HE       LYS  13   4.055 -13.253  -0.794
   92   2HE   LYS  13          1HE       LYS  13   4.759 -13.018   0.829
   93   1HZ   LYS  13          2HZ       LYS  13   2.031 -13.693   0.372
   94   2HZ   LYS  13          3HZ       LYS  13   3.241 -14.804   0.565
   95   3HZ   LYS  13          1HZ       LYS  13   2.881 -13.757   1.756
   96    HA   PRO  14           HA       PRO  14  -0.623 -14.504  -5.238
   97   1HB   PRO  14          1HB       PRO  14  -0.799 -16.737  -3.569
   98   2HB   PRO  14          2HB       PRO  14   0.393 -16.532  -4.882
   99   1HG   PRO  14          2HG       PRO  14   0.901 -16.704  -2.069
  100   2HG   PRO  14          1HG       PRO  14   2.078 -16.382  -3.372
  101   1HD   PRO  14          2HD       PRO  14   0.739 -14.440  -1.502
  102   2HD   PRO  14          1HD       PRO  14   2.324 -14.324  -2.314
  103    H    ALA  15           H        ALA  15  -0.839 -13.484  -1.952
  104    HA   ALA  15           HA       ALA  15  -3.221 -12.184  -2.489
  105   1HB   ALA  15          2HB       ALA  15  -3.777 -14.883  -2.149
  106   2HB   ALA  15          3HB       ALA  15  -4.174 -14.155  -0.571
  107   3HB   ALA  15          1HB       ALA  15  -4.932 -13.529  -2.058
  108    H    CYS  16           H        CYS  16  -4.473 -11.988  -0.090
  109    HA   CYS  16           HA       CYS  16  -2.537 -11.633   2.012
  110   1HB   CYS  16          2HB       CYS  16  -2.267  -9.605   0.401
  111   2HB   CYS  16          1HB       CYS  16  -3.802  -9.056   1.133
  112    H    THR  17           H        THR  17  -3.522 -10.923   3.992
  113    HA   THR  17           HA       THR  17  -6.152 -11.626   4.523
  114    HB   THR  17           HB       THR  17  -5.811  -9.702   6.431
  115    HG1  THR  17           HG1      THR  17  -4.305  -8.886   5.568
  116   1HG2  THR  17          2HG2      THR  17  -4.478 -12.410   6.310
  117   2HG2  THR  17          3HG2      THR  17  -4.445 -11.377   7.761
  118   3HG2  THR  17          1HG2      THR  17  -6.001 -11.955   7.115
  119    H    LEU  18           H        LEU  18  -8.084 -10.591   4.709
  120    HA   LEU  18           HA       LEU  18  -8.334  -8.682   2.533
  121   1HB   LEU  18          2HB       LEU  18 -10.704  -9.499   2.616
  122   2HB   LEU  18          1HB       LEU  18  -9.445 -10.739   2.348
  123    HG   LEU  18           HG       LEU  18  -9.667 -11.467   4.675
  124   1HD1  LEU  18          1HD1      LEU  18 -11.752  -9.276   4.736
  125   2HD1  LEU  18          3HD1      LEU  18 -11.759 -10.640   5.882
  126   3HD1  LEU  18          2HD1      LEU  18 -10.370  -9.527   5.832
  127   1HD2  LEU  18          3HD2      LEU  18 -11.224 -12.045   2.565
  128   2HD2  LEU  18          1HD2      LEU  18 -11.442 -12.797   4.165
  129   3HD2  LEU  18          2HD2      LEU  18 -12.473 -11.429   3.677
  130    H    GLU  19           H        GLU  19  -8.572  -8.543   5.953
  131    HA   GLU  19           HA       GLU  19 -10.340  -6.489   6.392
  132   1HB   GLU  19          1HB       GLU  19  -8.998  -5.942   8.301
  133   2HB   GLU  19          2HB       GLU  19  -9.299  -7.574   8.098
  134   1HG   GLU  19          2HG       GLU  19  -6.765  -6.873   7.042
  135   2HG   GLU  19          1HG       GLU  19  -6.917  -6.550   8.792
  136    OH   TYR  20           OH       TYR  20 -11.340   1.064  -0.038
  137    H    TYR  20           H        TYR  20 -10.456  -4.359   6.085
  138    HA   TYR  20           HA       TYR  20  -8.784  -3.570   3.832
  139   1HB   TYR  20          1HB       TYR  20 -11.162  -3.766   3.480
  140   2HB   TYR  20          2HB       TYR  20 -11.507  -2.624   4.812
  141    HD1  TYR  20           HD2      TYR  20  -9.692  -2.798   1.546
  142    HD2  TYR  20           HD1      TYR  20 -12.141  -0.494   4.148
  143    HE1  TYR  20           HE2      TYR  20  -9.973  -1.119  -0.220
  144    HE2  TYR  20           HE1      TYR  20 -12.471   1.172   2.372
  145    HH   TYR  20           HH       TYR  20 -12.399   1.061  -0.287
  146    NH1  ARG  21           NH1      ARG  21  -9.129   0.280   9.113
  147    NH2  ARG  21           NH2      ARG  21  -7.500   1.806   9.655
  148    H    ARG  21           H        ARG  21  -7.146  -2.268   4.122
  149    HA   ARG  21           HA       ARG  21  -7.426   0.014   5.988
  150   1HB   ARG  21          1HB       ARG  21  -4.838  -1.527   5.805
  151   2HB   ARG  21          2HB       ARG  21  -5.284  -0.206   6.924
  152   1HG   ARG  21          1HG       ARG  21  -6.458  -3.009   6.926
  153   2HG   ARG  21          2HG       ARG  21  -5.210  -2.396   8.047
  154   1HD   ARG  21          1HD       ARG  21  -8.101  -1.628   7.808
  155   2HD   ARG  21          2HD       ARG  21  -7.198  -2.224   9.229
  156    HE   ARG  21           HE       ARG  21  -5.955   0.136   8.667
  157   1HH1  ARG  21          2HH1      ARG  21  -9.400  -0.612   8.751
  158   2HH1  ARG  21          1HH1      ARG  21  -9.827   0.923   9.431
  159   1HH2  ARG  21          2HH2      ARG  21  -6.537   2.072   9.691
  160   2HH2  ARG  21          1HH2      ARG  21  -8.206   2.439   9.971
  161    HA   PRO  22           HA       PRO  22  -6.346   0.467   1.420
  162   1HB   PRO  22          1HB       PRO  22  -7.854   2.950   1.485
  163   2HB   PRO  22          2HB       PRO  22  -8.328   1.390   0.757
  164   1HG   PRO  22          2HG       PRO  22  -9.604   2.521   2.919
  165   2HG   PRO  22          1HG       PRO  22  -9.558   0.760   2.608
  166   1HD   PRO  22          2HD       PRO  22  -7.914   2.396   4.565
  167   2HD   PRO  22          1HD       PRO  22  -8.654   0.784   4.772
  168    H    LEU  23           H        LEU  23  -4.928   1.507   0.267
  169    HA   LEU  23           HA       LEU  23  -3.768   3.969   1.476
  170   1HB   LEU  23          1HB       LEU  23  -2.299   1.613   0.260
  171   2HB   LEU  23          2HB       LEU  23  -1.559   3.161   0.753
  172    HG   LEU  23           HG       LEU  23  -2.894   2.302   3.031
  173   1HD1  LEU  23          2HD1      LEU  23  -2.825   0.059   1.473
  174   2HD1  LEU  23          1HD1      LEU  23  -1.301  -0.090   2.384
  175   3HD1  LEU  23          3HD1      LEU  23  -2.847   0.074   3.256
  176   1HD2  LEU  23          3HD2      LEU  23  -0.022   2.018   2.099
  177   2HD2  LEU  23          2HD2      LEU  23  -0.741   3.324   3.076
  178   3HD2  LEU  23          1HD2      LEU  23  -0.544   1.695   3.771
  179    H    CYS  24           H        CYS  24  -3.798   5.630   0.153
  180    HA   CYS  24           HA       CYS  24  -4.698   5.306  -2.633
  181   1HB   CYS  24          2HB       CYS  24  -5.485   7.173  -1.170
  182   2HB   CYS  24          1HB       CYS  24  -3.820   7.814  -1.185
  183    H    GLY  25           H        GLY  25  -3.434   6.043  -4.398
  184   1HA   GLY  25          2HA       GLY  25  -0.487   5.907  -3.908
  185   2HA   GLY  25          1HA       GLY  25  -1.246   5.289  -5.399
  186    H    SER  26           H        SER  26   0.516   6.963  -6.069
  187    HA   SER  26           HA       SER  26  -0.217   9.721  -5.582
  188   1HB   SER  26          2HB       SER  26   2.171   8.240  -6.173
  189   2HB   SER  26          1HB       SER  26   2.019   9.616  -7.304
  190    HG   SER  26           HG       SER  26   3.157   9.809  -5.135
  191    H    ASP  27           H        ASP  27  -0.634   7.472  -8.162
  192    HA   ASP  27           HA       ASP  27  -1.257   9.384 -10.223
  193   1HB   ASP  27          2HB       ASP  27  -2.519   7.570 -11.260
  194   2HB   ASP  27          1HB       ASP  27  -0.843   7.120 -10.835
  195    H    ASN  28           H        ASN  28  -3.243   7.635  -7.817
  196    HA   ASN  28           HA       ASN  28  -4.950   9.553  -7.170
  197   1HB   ASN  28          2HB       ASN  28  -5.485   9.135  -9.890
  198   2HB   ASN  28          1HB       ASN  28  -6.850   8.410  -8.992
  199   1HD2  ASN  28          2HD2      ASN  28  -7.267  11.741  -7.241
  200   2HD2  ASN  28          1HD2      ASN  28  -6.719  10.183  -6.720
  201    H    LYS  29           H        LYS  29  -5.110   6.223  -8.395
  202    HA   LYS  29           HA       LYS  29  -7.570   5.664  -7.157
  203   1HB   LYS  29          2HB       LYS  29  -5.423   3.705  -8.042
  204   2HB   LYS  29          1HB       LYS  29  -7.122   3.304  -7.667
  205   1HG   LYS  29          2HG       LYS  29  -6.197   5.161  -9.895
  206   2HG   LYS  29          1HG       LYS  29  -6.698   3.459 -10.102
  207   1HD   LYS  29          1HD       LYS  29  -8.500   5.472  -8.802
  208   2HD   LYS  29          2HD       LYS  29  -8.341   5.472 -10.538
  209   1HE   LYS  29          1HE       LYS  29 -10.046   4.044 -10.446
  210   2HE   LYS  29          2HE       LYS  29  -8.776   2.837 -10.109
  211   1HZ   LYS  29          3HZ       LYS  29 -10.100   4.349  -8.091
  212   2HZ   LYS  29          1HZ       LYS  29 -10.658   2.925  -8.646
  213   3HZ   LYS  29          2HZ       LYS  29  -9.188   2.976  -7.955
  214    H    THR  30           H        THR  30  -7.601   3.392  -5.839
  215    HA   THR  30           HA       THR  30  -6.013   3.921  -3.391
  216    HB   THR  30           HB       THR  30  -9.001   3.254  -3.259
  217    HG1  THR  30           HG1      THR  30  -9.395   5.100  -3.035
  218   1HG2  THR  30          1HG2      THR  30  -6.937   4.047  -1.209
  219   2HG2  THR  30          3HG2      THR  30  -8.682   4.275  -0.927
  220   3HG2  THR  30          2HG2      THR  30  -8.033   2.642  -1.217
  221    OH   TYR  31           OH       TYR  31  -2.356   0.457  -8.615
  222    H    TYR  31           H        TYR  31  -5.074   2.166  -2.654
  223    HA   TYR  31           HA       TYR  31  -5.860  -0.461  -3.820
  224   1HB   TYR  31          1HB       TYR  31  -3.283   0.493  -2.525
  225   2HB   TYR  31          2HB       TYR  31  -3.650  -1.224  -2.851
  226    HD1  TYR  31           HD2      TYR  31  -3.854  -2.014  -5.180
  227    HD2  TYR  31           HD1      TYR  31  -2.779   2.021  -4.375
  228    HE1  TYR  31           HE2      TYR  31  -3.266  -1.709  -7.543
  229    HE2  TYR  31           HE1      TYR  31  -2.129   2.323  -6.726
  230    HH   TYR  31           HH       TYR  31  -3.202   0.016  -9.139
  231    H    GLY  32           H        GLY  32  -6.103  -2.241  -2.442
  232   1HA   GLY  32          2HA       GLY  32  -8.009  -1.538  -0.457
  233   2HA   GLY  32          1HA       GLY  32  -7.438  -3.188  -0.816
  234    H    ASN  33           H        ASN  33  -4.683  -2.807  -0.267
  235    HA   ASN  33           HA       ASN  33  -4.286  -1.496   2.299
  236   1HB   ASN  33          2HB       ASN  33  -3.910  -3.458   3.609
  237   2HB   ASN  33          1HB       ASN  33  -5.574  -3.451   2.957
  238   1HD2  ASN  33          2HD2      ASN  33  -4.613  -6.904   2.543
  239   2HD2  ASN  33          1HD2      ASN  33  -5.336  -5.785   3.650
  240    H    LYS  34           H        LYS  34  -2.141  -3.061   3.168
  241    HA   LYS  34           HA       LYS  34  -0.126  -1.741   1.694
  242   1HB   LYS  34          1HB       LYS  34   1.443  -3.171   3.094
  243   2HB   LYS  34          2HB       LYS  34   0.309  -2.098   3.963
  244   1HG   LYS  34          2HG       LYS  34  -0.256  -3.885   5.195
  245   2HG   LYS  34          1HG       LYS  34  -1.074  -4.522   3.739
  246   1HD   LYS  34          2HD       LYS  34   0.296  -6.248   4.493
  247   2HD   LYS  34          1HD       LYS  34   1.098  -5.565   3.105
  248   1HE   LYS  34          1HE       LYS  34   2.905  -5.615   4.371
  249   2HE   LYS  34          2HE       LYS  34   2.260  -4.083   5.019
  250   1HZ   LYS  34          1HZ       LYS  34   1.180  -5.378   6.638
  251   2HZ   LYS  34          2HZ       LYS  34   1.918  -6.713   6.075
  252   3HZ   LYS  34          3HZ       LYS  34   2.803  -5.461   6.696
  253    H    CYS  35           H        CYS  35  -1.396  -5.011   1.508
  254    HA   CYS  35           HA       CYS  35   0.752  -6.000  -0.052
  255   1HB   CYS  35          2HB       CYS  35  -2.061  -7.083   0.249
  256   2HB   CYS  35          1HB       CYS  35  -0.636  -7.968  -0.368
  257    H    ASN  36           H        ASN  36  -2.589  -5.091  -0.975
  258    HA   ASN  36           HA       ASN  36  -1.984  -5.356  -3.743
  259   1HB   ASN  36          2HB       ASN  36  -4.366  -4.183  -2.318
  260   2HB   ASN  36          1HB       ASN  36  -4.238  -4.353  -4.091
  261   1HD2  ASN  36          2HD2      ASN  36  -4.586  -7.713  -1.695
  262   2HD2  ASN  36          1HD2      ASN  36  -4.114  -6.188  -1.021
  263    H    PHE  37           H        PHE  37  -1.643  -2.761  -1.500
  264    HA   PHE  37           HA       PHE  37  -1.208  -0.677  -3.473
  265   1HB   PHE  37          1HB       PHE  37  -1.635   0.090  -1.262
  266   2HB   PHE  37          2HB       PHE  37  -0.386  -0.961  -0.549
  267    HD1  PHE  37           HD1      PHE  37  -0.822   1.766  -3.006
  268    HD2  PHE  37           HD2      PHE  37   1.647   0.147   0.064
  269    HE1  PHE  37           HE1      PHE  37   0.798   3.569  -3.388
  270    HE2  PHE  37           HE2      PHE  37   3.270   1.985  -0.264
  271    HZ   PHE  37           HZ       PHE  37   2.889   3.630  -2.082
  272    H    CYS  38           H        CYS  38   1.021  -2.659  -1.458
  273    HA   CYS  38           HA       CYS  38   3.258  -1.645  -2.803
  274   1HB   CYS  38          2HB       CYS  38   2.893  -3.982  -0.932
  275   2HB   CYS  38          1HB       CYS  38   4.480  -3.566  -1.639
  276    H    ASN  39           H        ASN  39   1.209  -4.321  -3.586
  277    HA   ASN  39           HA       ASN  39   2.955  -5.638  -5.434
  278   1HB   ASN  39          2HB       ASN  39  -0.048  -5.507  -5.230
  279   2HB   ASN  39          1HB       ASN  39   0.823  -6.432  -6.488
  280   1HD2  ASN  39          2HD2      ASN  39  -0.077  -8.450  -3.353
  281   2HD2  ASN  39          1HD2      ASN  39  -0.983  -7.455  -4.444
  282    H    ALA  40           H        ALA  40   0.546  -3.034  -5.800
  283    HA   ALA  40           HA       ALA  40   0.928  -2.844  -8.629
  284   1HB   ALA  40          3HB       ALA  40  -0.387  -1.039  -6.588
  285   2HB   ALA  40          1HB       ALA  40  -0.378  -0.709  -8.339
  286   3HB   ALA  40          2HB       ALA  40  -1.157  -2.185  -7.715
  287    H    VAL  41           H        VAL  41   2.558  -1.478  -5.881
  288    HA   VAL  41           HA       VAL  41   4.102   0.428  -7.384
  289    HB   VAL  41           HB       VAL  41   4.673  -0.951  -4.753
  290   1HG1  VAL  41          1HG1      VAL  41   6.451   0.535  -6.296
  291   2HG1  VAL  41          2HG1      VAL  41   5.852   1.683  -5.075
  292   3HG1  VAL  41          3HG1      VAL  41   6.594   0.148  -4.565
  293   1HG2  VAL  41          3HG2      VAL  41   2.559   0.532  -5.071
  294   2HG2  VAL  41          1HG2      VAL  41   3.595   0.753  -3.641
  295   3HG2  VAL  41          2HG2      VAL  41   3.720   1.879  -5.013
  296    H    VAL  42           H        VAL  42   5.036  -2.739  -5.985
  297    HA   VAL  42           HA       VAL  42   7.517  -2.758  -7.221
  298    HB   VAL  42           HB       VAL  42   7.095  -4.024  -5.277
  299   1HG1  VAL  42          1HG1      VAL  42   4.695  -4.830  -6.497
  300   2HG1  VAL  42          2HG1      VAL  42   5.644  -6.316  -6.252
  301   3HG1  VAL  42          3HG1      VAL  42   5.296  -5.245  -4.872
  302   1HG2  VAL  42          1HG2      VAL  42   8.741  -4.871  -7.060
  303   2HG2  VAL  42          3HG2      VAL  42   8.300  -5.962  -5.726
  304   3HG2  VAL  42          2HG2      VAL  42   7.560  -6.174  -7.331
  305    H    GLU  43           H        GLU  43   4.445  -3.544  -8.571
  306    HA   GLU  43           HA       GLU  43   5.425  -5.081 -10.875
  307   1HB   GLU  43          2HB       GLU  43   2.993  -3.703  -9.918
  308   2HB   GLU  43          1HB       GLU  43   3.078  -3.932 -11.572
  309   1HG   GLU  43          1HG       GLU  43   3.474  -6.410 -10.093
  310   2HG   GLU  43          2HG       GLU  43   2.025  -5.477  -9.626
  311    H    SER  44           H        SER  44   4.373  -1.751 -10.082
  312    HA   SER  44           HA       SER  44   4.552  -0.808 -12.753
  313   1HB   SER  44          2HB       SER  44   4.260   1.401 -11.870
  314   2HB   SER  44          1HB       SER  44   3.169   0.266 -11.026
  315    HG   SER  44           HG       SER  44   3.931   0.834  -9.231
  316    H    ASN  45           H        ASN  45   6.962  -1.339 -10.342
  317    HA   ASN  45           HA       ASN  45   9.235  -1.300 -10.525
  318   1HB   ASN  45          2HB       ASN  45   8.496  -1.288 -13.228
  319   2HB   ASN  45          1HB       ASN  45   9.700   0.018 -13.026
  320   1HD2  ASN  45          2HD2      ASN  45  12.440  -2.100 -12.656
  321   2HD2  ASN  45          1HD2      ASN  45  11.820  -0.486 -12.764
  322    H    GLY  46           H        GLY  46   8.442   0.274  -8.863
  323   1HA   GLY  46          1HA       GLY  46   8.989   2.177  -7.685
  324   2HA   GLY  46          2HA       GLY  46  10.390   2.220  -8.789
  325    H    THR  47           H        THR  47   6.949   2.586  -9.634
  326    HA   THR  47           HA       THR  47   7.494   5.436 -10.308
  327    HB   THR  47           HB       THR  47   6.005   5.268 -12.179
  328    HG1  THR  47           HG1      THR  47   5.632   2.713 -11.282
  329   1HG2  THR  47          2HG2      THR  47   8.017   3.059 -12.025
  330   2HG2  THR  47          1HG2      THR  47   6.926   3.160 -13.431
  331   3HG2  THR  47          3HG2      THR  47   7.984   4.535 -13.023
  332    H    LEU  48           H        LEU  48   4.934   3.151  -9.285
  333    HA   LEU  48           HA       LEU  48   3.122   5.303  -8.448
  334   1HB   LEU  48          1HB       LEU  48   2.121   3.335  -9.281
  335   2HB   LEU  48          2HB       LEU  48   3.163   2.286  -8.279
  336    HG   LEU  48           HG       LEU  48   1.929   3.469  -6.294
  337   1HD1  LEU  48          2HD1      LEU  48   0.008   3.792  -8.621
  338   2HD1  LEU  48          1HD1      LEU  48  -0.462   3.874  -6.905
  339   3HD1  LEU  48          3HD1      LEU  48   0.668   5.077  -7.577
  340   1HD2  LEU  48          2HD2      LEU  48   0.702   1.365  -8.108
  341   2HD2  LEU  48          1HD2      LEU  48   1.899   1.092  -6.817
  342   3HD2  LEU  48          3HD2      LEU  48   0.255   1.644  -6.407
  343    H    THR  49           H        THR  49   2.609   5.707  -6.270
  344    HA   THR  49           HA       THR  49   4.349   4.856  -4.097
  345    HB   THR  49           HB       THR  49   6.077   6.103  -5.083
  346    HG1  THR  49           HG1      THR  49   5.844   6.556  -3.251
  347   1HG2  THR  49          2HG2      THR  49   4.850   7.127  -6.931
  348   2HG2  THR  49          1HG2      THR  49   4.141   8.319  -5.812
  349   3HG2  THR  49          3HG2      THR  49   5.899   8.305  -6.101
  350    H    LEU  50           H        LEU  50   4.061   6.308  -2.195
  351    HA   LEU  50           HA       LEU  50   1.185   6.250  -1.937
  352   1HB   LEU  50          1HB       LEU  50   2.857   4.873  -0.723
  353   2HB   LEU  50          2HB       LEU  50   3.433   6.346   0.101
  354    HG   LEU  50           HG       LEU  50   1.396   6.527   1.359
  355   1HD1  LEU  50          1HD1      LEU  50   0.403   4.501  -0.619
  356   2HD1  LEU  50          3HD1      LEU  50  -0.246   4.504   1.041
  357   3HD1  LEU  50          2HD1      LEU  50  -0.395   5.960   0.024
  358   1HD2  LEU  50          3HD2      LEU  50   3.239   4.618   1.678
  359   2HD2  LEU  50          2HD2      LEU  50   1.819   4.771   2.745
  360   3HD2  LEU  50          1HD2      LEU  50   1.814   3.578   1.420
  361    H    SER  51           H        SER  51  -0.114   7.916  -1.686
  362    HA   SER  51           HA       SER  51   0.970  10.616  -1.175
  363   1HB   SER  51          2HB       SER  51  -0.787  10.342  -2.879
  364   2HB   SER  51          1HB       SER  51  -1.898   9.733  -1.618
  365    HG   SER  51           HG       SER  51  -0.533  12.295  -1.843
  366    H    HIS  52           H        HIS  52  -1.390   8.306   0.213
  367    HA   HIS  52           HA       HIS  52  -0.283   8.702   2.891
  368   1HB   HIS  52          2HB       HIS  52  -2.417   9.486   3.878
  369   2HB   HIS  52          1HB       HIS  52  -1.691  10.696   2.778
  370    HD1  HIS  52           HD1      HIS  52  -4.896   9.141   3.489
  371    HD2  HIS  52           HD2      HIS  52  -2.894  10.300   0.026
  372    HE1  HIS  52           HE1      HIS  52  -6.552   8.947   1.615
  373    HE2  HIS  52           HE2      HIS  52  -5.382   9.776  -0.458
  374    H    PHE  53           H        PHE  53  -1.287   7.351   4.471
  375    HA   PHE  53           HA       PHE  53  -2.292   4.808   3.567
  376   1HB   PHE  53          1HB       PHE  53  -2.370   6.116   6.319
  377   2HB   PHE  53          2HB       PHE  53  -2.946   4.462   5.962
  378    HD1  PHE  53           HD2      PHE  53   0.197   6.397   5.033
  379    HD2  PHE  53           HD1      PHE  53  -1.579   2.953   6.811
  380    HE1  PHE  53           HE2      PHE  53   2.428   5.633   5.807
  381    HE2  PHE  53           HE1      PHE  53   0.649   1.950   7.108
  382    HZ   PHE  53           HZ       PHE  53   2.655   3.335   6.714
  383    H    GLY  54           H        GLY  54  -4.450   4.144   4.880
  384   1HA   GLY  54          1HA       GLY  54  -6.756   4.203   4.841
  385   2HA   GLY  54          2HA       GLY  54  -6.652   5.982   4.897
  386    H    LYS  55           H        LYS  55  -8.624   5.265   3.437
  387    HA   LYS  55           HA       LYS  55  -7.820   4.951   0.647
  388   1HB   LYS  55          1HB       LYS  55 -10.182   4.882   0.160
  389   2HB   LYS  55          2HB       LYS  55  -9.807   3.799   1.529
  390   1HG   LYS  55          1HG       LYS  55 -10.759   6.600   2.087
  391   2HG   LYS  55          2HG       LYS  55 -11.938   5.362   1.570
  392   1HD   LYS  55          2HD       LYS  55 -10.384   4.134   3.551
  393   2HD   LYS  55          1HD       LYS  55 -10.649   5.758   4.124
  394   1HE   LYS  55          2HE       LYS  55 -12.777   3.794   3.293
  395   2HE   LYS  55          1HE       LYS  55 -12.359   4.311   4.948
  396   1HZ   LYS  55          2HZ       LYS  55 -13.205   6.075   2.876
  397   2HZ   LYS  55          3HZ       LYS  55 -14.210   5.365   3.981
  398   3HZ   LYS  55          1HZ       LYS  55 -13.039   6.387   4.463
  399    H    CYS  56           H        CYS  56  -8.520   6.362  -1.037
  400    HA   CYS  56           HA       CYS  56  -7.433   8.845  -0.421
  401   1HB   CYS  56          1HB       CYS  56  -7.711   7.284  -2.654
  402   2HB   CYS  56          2HB       CYS  56  -8.820   8.629  -3.035
   
  Start of MODEL          10
 Raw file had 402 H/Q atoms
  Start of MODEL   10
    1   1H    LEU   1          2H        LEU   1  10.583  11.233  10.053
    2   2H    LEU   1          1H        LEU   1  10.739  12.855  10.175
    3   3H    LEU   1          3H        LEU   1   9.368  12.125  10.682
    4    HA   LEU   1           HA       LEU   1   8.603  11.663   8.610
    5   1HB   LEU   1          1HB       LEU   1   9.691  14.307   9.244
    6   2HB   LEU   1          2HB       LEU   1   9.461  14.051   7.491
    7    HG   LEU   1           HG       LEU   1   7.244  13.519   9.459
    8   1HD1  LEU   1          3HD1      LEU   1   8.453  15.994   9.215
    9   2HD1  LEU   1          1HD1      LEU   1   7.135  16.069   8.019
   10   3HD1  LEU   1          2HD1      LEU   1   6.771  15.695   9.722
   11   1HD2  LEU   1          3HD2      LEU   1   7.100  12.664   7.157
   12   2HD2  LEU   1          2HD2      LEU   1   5.894  13.940   7.459
   13   3HD2  LEU   1          1HD2      LEU   1   7.369  14.309   6.530
   14    H    ALA   2           H        ALA   2   9.465  10.008   7.506
   15    HA   ALA   2           HA       ALA   2  11.591  10.761   5.577
   16   1HB   ALA   2          1HB       ALA   2  11.617   8.521   7.453
   17   2HB   ALA   2          3HB       ALA   2  11.795   8.013   5.754
   18   3HB   ALA   2          2HB       ALA   2  12.920   9.207   6.449
   19    H    ALA   3           H        ALA   3   9.647  11.407   4.416
   20    HA   ALA   3           HA       ALA   3   7.978  11.117   2.870
   21   1HB   ALA   3          3HB       ALA   3   9.842   9.724   1.870
   22   2HB   ALA   3          1HB       ALA   3   9.016   8.297   2.545
   23   3HB   ALA   3          2HB       ALA   3   8.183   9.328   1.354
   24    H    VAL   4           H        VAL   4   6.234   9.309   2.181
   25    HA   VAL   4           HA       VAL   4   5.352   7.858   4.603
   26    HB   VAL   4           HB       VAL   4   3.949   9.889   4.258
   27   1HG1  VAL   4          2HG1      VAL   4   3.967   9.864   1.764
   28   2HG1  VAL   4          1HG1      VAL   4   2.863   8.468   1.814
   29   3HG1  VAL   4          3HG1      VAL   4   2.347  10.035   2.483
   30   1HG2  VAL   4          3HG2      VAL   4   3.154   7.912   5.476
   31   2HG2  VAL   4          2HG2      VAL   4   1.836   8.772   4.646
   32   3HG2  VAL   4          1HG2      VAL   4   2.480   7.260   3.963
   33    H    SER   5           H        SER   5   5.241   5.783   4.274
   34    HA   SER   5           HA       SER   5   4.500   4.491   1.817
   35   1HB   SER   5          2HB       SER   5   6.606   3.762   1.021
   36   2HB   SER   5          1HB       SER   5   6.671   5.543   1.144
   37    HG   SER   5           HG       SER   5   8.095   3.479   2.379
   38    H    VAL   6           H        VAL   6   3.822   2.569   2.351
   39    HA   VAL   6           HA       VAL   6   5.080   1.132   4.624
   40    HB   VAL   6           HB       VAL   6   2.664   1.122   4.656
   41   1HG1  VAL   6          2HG1      VAL   6   2.780  -0.173   1.920
   42   2HG1  VAL   6          3HG1      VAL   6   1.331  -0.053   2.946
   43   3HG1  VAL   6          1HG1      VAL   6   2.108   1.424   2.328
   44   1HG2  VAL   6          2HG2      VAL   6   4.048  -0.889   5.348
   45   2HG2  VAL   6          1HG2      VAL   6   2.316  -1.164   5.045
   46   3HG2  VAL   6          3HG2      VAL   6   3.520  -1.648   3.827
   47    H    ASP   7           H        ASP   7   6.075  -0.845   4.292
   48    HA   ASP   7           HA       ASP   7   7.822  -0.463   2.069
   49   1HB   ASP   7          2HB       ASP   7   8.488  -0.990   4.425
   50   2HB   ASP   7          1HB       ASP   7   8.006  -2.680   4.099
   51    H    CYS   8           H        CYS   8   8.258  -1.641   0.317
   52    HA   CYS   8           HA       CYS   8   6.335  -3.826  -0.311
   53   1HB   CYS   8          2HB       CYS   8   7.001  -1.454  -2.067
   54   2HB   CYS   8          1HB       CYS   8   5.852  -2.775  -2.410
   55    H    SER   9           H        SER   9   9.147  -4.025   0.389
   56    HA   SER   9           HA       SER   9  10.793  -3.948  -2.027
   57   1HB   SER   9          2HB       SER   9  11.480  -3.612   0.487
   58   2HB   SER   9          1HB       SER   9  11.643  -5.391   0.449
   59    HG   SER   9           HG       SER   9  13.609  -4.609  -0.035
   60    H    GLU  10           H        GLU  10   8.533  -6.116  -0.675
   61    HA   GLU  10           HA       GLU  10   9.895  -8.485  -1.876
   62   1HB   GLU  10          2HB       GLU  10   9.157  -9.726   0.051
   63   2HB   GLU  10          1HB       GLU  10  10.478  -8.732   0.298
   64   1HG   GLU  10          2HG       GLU  10   7.717  -8.566   1.305
   65   2HG   GLU  10          1HG       GLU  10   9.213  -8.727   2.267
   66    OH   TYR  11           OH       TYR  11   3.038  -6.304   1.681
   67    H    TYR  11           H        TYR  11   7.958  -7.090  -3.191
   68    HA   TYR  11           HA       TYR  11   5.671  -8.995  -3.029
   69   1HB   TYR  11          1HB       TYR  11   5.806  -6.064  -3.803
   70   2HB   TYR  11          2HB       TYR  11   4.429  -7.111  -4.246
   71    HD1  TYR  11           HD2      TYR  11   6.431  -6.100  -1.249
   72    HD2  TYR  11           HD1      TYR  11   2.615  -7.246  -2.738
   73    HE1  TYR  11           HE2      TYR  11   5.461  -5.749   0.980
   74    HE2  TYR  11           HE1      TYR  11   1.697  -7.161  -0.457
   75    HH   TYR  11           HH       TYR  11   3.309  -7.252   2.142
   76    HA   PRO  12           HA       PRO  12   3.849  -8.782  -4.424
   77   1HB   PRO  12          1HB       PRO  12   2.672  -9.973  -6.610
   78   2HB   PRO  12          2HB       PRO  12   3.259  -8.287  -6.634
   79   1HG   PRO  12          2HG       PRO  12   4.254 -10.562  -8.124
   80   2HG   PRO  12          1HG       PRO  12   4.801  -8.863  -8.192
   81   1HD   PRO  12          1HD       PRO  12   5.982 -11.179  -6.691
   82   2HD   PRO  12          2HD       PRO  12   6.770  -9.694  -7.292
   83    H    LYS  13           H        LYS  13   2.121 -10.221  -3.850
   84    HA   LYS  13           HA       LYS  13   3.485 -12.513  -2.520
   85   1HB   LYS  13          1HB       LYS  13   0.986 -10.997  -1.696
   86   2HB   LYS  13          2HB       LYS  13   1.759 -12.342  -0.809
   87   1HG   LYS  13          1HG       LYS  13   3.711 -10.279  -1.301
   88   2HG   LYS  13          2HG       LYS  13   2.255  -9.552  -0.565
   89   1HD   LYS  13          2HD       LYS  13   2.654 -10.439   1.417
   90   2HD   LYS  13          1HD       LYS  13   2.933 -12.020   0.739
   91   1HE   LYS  13          2HE       LYS  13   5.145 -11.847   0.804
   92   2HE   LYS  13          1HE       LYS  13   5.110 -10.164   0.208
   93   1HZ   LYS  13          1HZ       LYS  13   4.346 -10.900   2.853
   94   2HZ   LYS  13          2HZ       LYS  13   5.884 -10.580   2.432
   95   3HZ   LYS  13          3HZ       LYS  13   4.706  -9.434   2.248
   96    HA   PRO  14           HA       PRO  14   0.072 -15.035  -4.333
   97   1HB   PRO  14          1HB       PRO  14   0.483 -17.157  -2.573
   98   2HB   PRO  14          2HB       PRO  14   1.522 -16.782  -3.975
   99   1HG   PRO  14          2HG       PRO  14   2.224 -16.685  -1.196
  100   2HG   PRO  14          1HG       PRO  14   3.229 -16.211  -2.594
  101   1HD   PRO  14          1HD       PRO  14   1.633 -14.477  -0.724
  102   2HD   PRO  14          2HD       PRO  14   3.112 -14.094  -1.648
  103    H    ALA  15           H        ALA  15  -0.120 -13.852  -1.105
  104    HA   ALA  15           HA       ALA  15  -3.034 -14.092  -1.271
  105   1HB   ALA  15          2HB       ALA  15  -2.201 -16.225  -0.215
  106   2HB   ALA  15          1HB       ALA  15  -1.607 -15.231   1.139
  107   3HB   ALA  15          3HB       ALA  15  -3.347 -15.267   0.758
  108    H    CYS  16           H        CYS  16  -4.091 -12.913   0.496
  109    HA   CYS  16           HA       CYS  16  -2.409 -10.694   1.541
  110   1HB   CYS  16          2HB       CYS  16  -4.905 -10.416  -0.155
  111   2HB   CYS  16          1HB       CYS  16  -4.034  -9.090   0.667
  112    H    THR  17           H        THR  17  -3.275  -9.532   3.246
  113    HA   THR  17           HA       THR  17  -5.410 -10.764   4.838
  114    HB   THR  17           HB       THR  17  -5.142  -8.386   6.055
  115    HG1  THR  17           HG1      THR  17  -3.480  -7.509   5.777
  116   1HG2  THR  17          2HG2      THR  17  -3.026 -10.545   6.250
  117   2HG2  THR  17          3HG2      THR  17  -3.286  -9.240   7.434
  118   3HG2  THR  17          1HG2      THR  17  -4.556 -10.459   7.159
  119    H    LEU  18           H        LEU  18  -7.478 -10.279   4.769
  120    HA   LEU  18           HA       LEU  18  -8.316  -8.826   2.438
  121   1HB   LEU  18          1HB       LEU  18 -10.302 -10.045   2.698
  122   2HB   LEU  18          2HB       LEU  18  -8.989 -11.118   3.264
  123    HG   LEU  18           HG       LEU  18  -9.666 -10.264   5.625
  124   1HD1  LEU  18          3HD1      LEU  18 -11.858  -9.289   3.869
  125   2HD1  LEU  18          1HD1      LEU  18 -12.346 -10.102   5.378
  126   3HD1  LEU  18          2HD1      LEU  18 -11.279  -8.675   5.439
  127   1HD2  LEU  18          1HD2      LEU  18  -9.911 -12.545   4.514
  128   2HD2  LEU  18          2HD2      LEU  18 -11.049 -12.178   5.836
  129   3HD2  LEU  18          3HD2      LEU  18 -11.588 -12.071   4.141
  130    H    GLU  19           H        GLU  19  -8.227  -8.139   5.830
  131    HA   GLU  19           HA       GLU  19 -10.640  -6.571   6.079
  132   1HB   GLU  19          1HB       GLU  19  -9.959  -6.279   8.194
  133   2HB   GLU  19          2HB       GLU  19  -9.263  -7.738   7.766
  134   1HG   GLU  19          1HG       GLU  19  -7.425  -5.493   7.512
  135   2HG   GLU  19          2HG       GLU  19  -8.063  -5.913   9.127
  136    OH   TYR  20           OH       TYR  20 -11.501   1.754   0.386
  137    H    TYR  20           H        TYR  20 -10.978  -4.460   5.760
  138    HA   TYR  20           HA       TYR  20  -9.175  -3.356   3.766
  139   1HB   TYR  20          1HB       TYR  20 -11.532  -3.518   3.256
  140   2HB   TYR  20          2HB       TYR  20 -11.956  -2.523   4.680
  141    HD1  TYR  20           HD2      TYR  20 -10.182  -2.415   1.404
  142    HD2  TYR  20           HD1      TYR  20 -12.158  -0.183   4.437
  143    HE1  TYR  20           HE2      TYR  20 -10.461  -0.544  -0.163
  144    HE2  TYR  20           HE1      TYR  20 -12.286   1.757   2.933
  145    HH   TYR  20           HH       TYR  20 -11.414   2.649   1.000
  146    NH1  ARG  21           NH1      ARG  21  -6.036   0.646   9.732
  147    NH2  ARG  21           NH2      ARG  21  -7.277  -0.163  11.488
  148    H    ARG  21           H        ARG  21  -7.729  -1.864   4.080
  149    HA   ARG  21           HA       ARG  21  -8.286   0.349   5.857
  150   1HB   ARG  21          1HB       ARG  21  -5.523  -0.760   6.192
  151   2HB   ARG  21          2HB       ARG  21  -6.474   0.308   7.265
  152   1HG   ARG  21          1HG       ARG  21  -7.867  -1.619   7.924
  153   2HG   ARG  21          2HG       ARG  21  -6.875  -2.678   6.882
  154   1HD   ARG  21          2HD       ARG  21  -5.567  -3.001   8.627
  155   2HD   ARG  21          1HD       ARG  21  -5.032  -1.308   8.437
  156    HE   ARG  21           HE       ARG  21  -6.785  -2.381  10.492
  157   1HH1  ARG  21          2HH1      ARG  21  -5.512   0.493   8.894
  158   2HH1  ARG  21          1HH1      ARG  21  -6.135   1.571  10.098
  159   1HH2  ARG  21          2HH2      ARG  21  -7.693  -0.929  11.978
  160   2HH2  ARG  21          1HH2      ARG  21  -7.365   0.767  11.845
  161    HA   PRO  22           HA       PRO  22  -6.764   0.645   1.467
  162   1HB   PRO  22          1HB       PRO  22  -7.756   3.304   1.227
  163   2HB   PRO  22          2HB       PRO  22  -8.621   1.813   0.760
  164   1HG   PRO  22          2HG       PRO  22  -8.860   3.463   3.261
  165   2HG   PRO  22          1HG       PRO  22 -10.111   2.541   2.378
  166   1HD   PRO  22          2HD       PRO  22  -9.113   1.583   4.704
  167   2HD   PRO  22          1HD       PRO  22  -9.422   0.462   3.346
  168    H    LEU  23           H        LEU  23  -5.110   1.363   0.391
  169    HA   LEU  23           HA       LEU  23  -3.729   3.739   1.555
  170   1HB   LEU  23          1HB       LEU  23  -2.526   1.245   0.323
  171   2HB   LEU  23          2HB       LEU  23  -1.622   2.729   0.730
  172    HG   LEU  23           HG       LEU  23  -2.978   2.035   3.077
  173   1HD1  LEU  23          3HD1      LEU  23  -2.962  -0.263   1.544
  174   2HD1  LEU  23          2HD1      LEU  23  -1.511  -0.443   2.560
  175   3HD1  LEU  23          1HD1      LEU  23  -3.102  -0.174   3.318
  176   1HD2  LEU  23          3HD2      LEU  23  -0.133   1.578   2.121
  177   2HD2  LEU  23          1HD2      LEU  23  -0.777   2.967   3.033
  178   3HD2  LEU  23          2HD2      LEU  23  -0.653   1.370   3.813
  179    H    CYS  24           H        CYS  24  -3.752   5.412   0.271
  180    HA   CYS  24           HA       CYS  24  -4.625   5.136  -2.541
  181   1HB   CYS  24          2HB       CYS  24  -5.458   6.958  -0.950
  182   2HB   CYS  24          1HB       CYS  24  -3.835   7.680  -1.133
  183    H    GLY  25           H        GLY  25  -3.331   6.006  -4.238
  184   1HA   GLY  25          2HA       GLY  25  -0.435   5.454  -3.719
  185   2HA   GLY  25          1HA       GLY  25  -1.254   5.077  -5.257
  186    H    SER  26           H        SER  26   1.005   6.642  -5.203
  187    HA   SER  26           HA       SER  26   0.401   9.362  -4.597
  188   1HB   SER  26          1HB       SER  26   2.623   8.049  -4.337
  189   2HB   SER  26          2HB       SER  26   2.899   8.510  -6.041
  190    HG   SER  26           HG       SER  26   2.960   9.947  -3.634
  191    H    ASP  27           H        ASP  27   0.316   7.513  -7.516
  192    HA   ASP  27           HA       ASP  27   0.069   9.790  -9.275
  193   1HB   ASP  27          2HB       ASP  27  -1.123   8.096 -10.765
  194   2HB   ASP  27          1HB       ASP  27   0.617   7.879 -10.414
  195    H    ASN  28           H        ASN  28  -2.248   7.725  -7.517
  196    HA   ASN  28           HA       ASN  28  -4.214   9.533  -7.171
  197   1HB   ASN  28          2HB       ASN  28  -5.873   8.745  -9.054
  198   2HB   ASN  28          1HB       ASN  28  -4.786  10.150  -9.245
  199   1HD2  ASN  28          2HD2      ASN  28  -3.560   8.905 -12.237
  200   2HD2  ASN  28          1HD2      ASN  28  -4.085  10.248 -11.276
  201    H    LYS  29           H        LYS  29  -3.915   6.230  -8.483
  202    HA   LYS  29           HA       LYS  29  -6.479   5.467  -7.826
  203   1HB   LYS  29          2HB       LYS  29  -4.001   3.740  -8.106
  204   2HB   LYS  29          1HB       LYS  29  -5.665   3.102  -7.986
  205   1HG   LYS  29          2HG       LYS  29  -4.640   4.976 -10.157
  206   2HG   LYS  29          1HG       LYS  29  -4.863   3.211 -10.325
  207   1HD   LYS  29          2HD       LYS  29  -6.866   3.778 -11.141
  208   2HD   LYS  29          1HD       LYS  29  -7.299   3.917  -9.460
  209   1HE   LYS  29          2HE       LYS  29  -6.447   6.378  -9.713
  210   2HE   LYS  29          1HE       LYS  29  -6.738   6.058 -11.444
  211   1HZ   LYS  29          3HZ       LYS  29  -8.872   5.295 -10.739
  212   2HZ   LYS  29          1HZ       LYS  29  -8.576   5.922  -9.267
  213   3HZ   LYS  29          2HZ       LYS  29  -8.582   6.912 -10.556
  214    H    THR  30           H        THR  30  -6.817   3.311  -6.450
  215    HA   THR  30           HA       THR  30  -5.784   3.865  -3.724
  216    HB   THR  30           HB       THR  30  -8.572   2.719  -3.964
  217    HG1  THR  30           HG1      THR  30  -8.651   4.151  -5.237
  218   1HG2  THR  30          2HG2      THR  30  -6.923   3.742  -1.871
  219   2HG2  THR  30          1HG2      THR  30  -8.370   4.773  -2.009
  220   3HG2  THR  30          3HG2      THR  30  -8.547   3.016  -1.769
  221    OH   TYR  31           OH       TYR  31  -2.178   0.783  -8.220
  222    H    TYR  31           H        TYR  31  -5.886   1.932  -2.345
  223    HA   TYR  31           HA       TYR  31  -6.089  -0.656  -3.806
  224   1HB   TYR  31          1HB       TYR  31  -3.719   0.476  -2.283
  225   2HB   TYR  31          2HB       TYR  31  -3.899  -1.255  -2.688
  226    HD1  TYR  31           HD2      TYR  31  -4.152  -1.852  -5.168
  227    HD2  TYR  31           HD1      TYR  31  -2.830   1.985  -3.893
  228    HE1  TYR  31           HE2      TYR  31  -3.325  -1.392  -7.432
  229    HE2  TYR  31           HE1      TYR  31  -2.001   2.458  -6.158
  230    HH   TYR  31           HH       TYR  31  -1.275   1.373  -8.085
  231    H    GLY  32           H        GLY  32  -6.651  -2.395  -2.605
  232   1HA   GLY  32          1HA       GLY  32  -8.291  -2.080  -0.503
  233   2HA   GLY  32          2HA       GLY  32  -7.481  -3.632  -0.843
  234    H    ASN  33           H        ASN  33  -4.838  -2.967  -0.251
  235    HA   ASN  33           HA       ASN  33  -4.544  -1.583   2.120
  236   1HB   ASN  33          2HB       ASN  33  -4.304  -3.081   3.870
  237   2HB   ASN  33          1HB       ASN  33  -5.828  -3.535   3.057
  238   1HD2  ASN  33          2HD2      ASN  33  -4.701  -6.693   1.927
  239   2HD2  ASN  33          1HD2      ASN  33  -5.570  -5.309   1.350
  240    H    LYS  34           H        LYS  34  -2.346  -3.076   3.228
  241    HA   LYS  34           HA       LYS  34  -0.367  -1.998   1.573
  242   1HB   LYS  34          1HB       LYS  34   1.197  -3.535   3.009
  243   2HB   LYS  34          2HB       LYS  34   0.343  -2.144   3.735
  244   1HG   LYS  34          2HG       LYS  34  -0.670  -3.464   5.216
  245   2HG   LYS  34          1HG       LYS  34  -1.311  -4.512   3.918
  246   1HD   LYS  34          1HD       LYS  34   1.296  -4.706   5.415
  247   2HD   LYS  34          2HD       LYS  34  -0.045  -5.819   5.471
  248   1HE   LYS  34          2HE       LYS  34   0.752  -5.604   2.755
  249   2HE   LYS  34          1HE       LYS  34   2.230  -5.751   3.744
  250   1HZ   LYS  34          3HZ       LYS  34  -0.062  -7.452   3.865
  251   2HZ   LYS  34          1HZ       LYS  34   1.328  -7.776   3.083
  252   3HZ   LYS  34          2HZ       LYS  34   1.358  -7.604   4.701
  253    H    CYS  35           H        CYS  35  -1.823  -5.150   1.500
  254    HA   CYS  35           HA       CYS  35   0.160  -6.361  -0.115
  255   1HB   CYS  35          2HB       CYS  35  -1.678  -7.485   1.207
  256   2HB   CYS  35          1HB       CYS  35  -2.775  -7.072  -0.143
  257    H    ASN  36           H        ASN  36  -3.053  -5.087  -1.082
  258    HA   ASN  36           HA       ASN  36  -2.410  -5.482  -3.892
  259   1HB   ASN  36          2HB       ASN  36  -4.817  -4.348  -2.484
  260   2HB   ASN  36          1HB       ASN  36  -4.621  -4.348  -4.262
  261   1HD2  ASN  36          2HD2      ASN  36  -5.210  -7.891  -2.207
  262   2HD2  ASN  36          1HD2      ASN  36  -4.773  -6.437  -1.373
  263    H    PHE  37           H        PHE  37  -2.064  -3.005  -1.523
  264    HA   PHE  37           HA       PHE  37  -1.474  -0.845  -3.335
  265   1HB   PHE  37          1HB       PHE  37  -1.838  -0.222  -1.078
  266   2HB   PHE  37          2HB       PHE  37  -0.675  -1.414  -0.450
  267    HD1  PHE  37           HD1      PHE  37  -0.813   1.465  -2.773
  268    HD2  PHE  37           HD2      PHE  37   1.397  -0.495   0.301
  269    HE1  PHE  37           HE1      PHE  37   0.938   3.178  -2.958
  270    HE2  PHE  37           HE2      PHE  37   2.950   1.435   0.405
  271    HZ   PHE  37           HZ       PHE  37   2.857   3.133  -1.409
  272    H    CYS  38           H        CYS  38   0.666  -3.107  -1.530
  273    HA   CYS  38           HA       CYS  38   2.928  -2.065  -2.833
  274   1HB   CYS  38          2HB       CYS  38   2.486  -4.445  -1.044
  275   2HB   CYS  38          1HB       CYS  38   4.076  -4.135  -1.799
  276    H    ASN  39           H        ASN  39   0.821  -4.695  -3.679
  277    HA   ASN  39           HA       ASN  39   2.513  -5.961  -5.596
  278   1HB   ASN  39          2HB       ASN  39  -0.476  -5.834  -5.281
  279   2HB   ASN  39          1HB       ASN  39   0.325  -6.692  -6.629
  280   1HD2  ASN  39          2HD2      ASN  39  -0.389  -8.829  -3.497
  281   2HD2  ASN  39          1HD2      ASN  39  -1.314  -7.516  -4.143
  282    H    ALA  40           H        ALA  40   0.365  -3.154  -5.724
  283    HA   ALA  40           HA       ALA  40   0.830  -2.787  -8.538
  284   1HB   ALA  40          2HB       ALA  40  -1.253  -2.220  -7.242
  285   2HB   ALA  40          1HB       ALA  40  -0.378  -0.809  -6.594
  286   3HB   ALA  40          3HB       ALA  40  -0.656  -0.958  -8.349
  287    H    VAL  41           H        VAL  41   2.415  -1.712  -5.648
  288    HA   VAL  41           HA       VAL  41   3.953   0.397  -6.885
  289    HB   VAL  41           HB       VAL  41   4.432  -1.295  -4.424
  290   1HG1  VAL  41          3HG1      VAL  41   6.555  -0.401  -5.284
  291   2HG1  VAL  41          1HG1      VAL  41   5.873   1.241  -5.243
  292   3HG1  VAL  41          2HG1      VAL  41   6.094   0.331  -3.729
  293   1HG2  VAL  41          3HG2      VAL  41   3.125   1.372  -4.883
  294   2HG2  VAL  41          1HG2      VAL  41   2.533  -0.043  -3.980
  295   3HG2  VAL  41          2HG2      VAL  41   3.847   0.953  -3.311
  296    H    VAL  42           H        VAL  42   4.890  -2.915  -5.865
  297    HA   VAL  42           HA       VAL  42   7.265  -2.967  -7.299
  298    HB   VAL  42           HB       VAL  42   6.749  -4.475  -5.502
  299   1HG1  VAL  42          3HG1      VAL  42   4.422  -5.169  -7.104
  300   2HG1  VAL  42          1HG1      VAL  42   5.320  -6.607  -6.562
  301   3HG1  VAL  42          2HG1      VAL  42   4.742  -5.419  -5.370
  302   1HG2  VAL  42          2HG2      VAL  42   8.066  -5.158  -7.869
  303   2HG2  VAL  42          1HG2      VAL  42   8.265  -5.901  -6.264
  304   3HG2  VAL  42          3HG2      VAL  42   7.117  -6.599  -7.432
  305    H    GLU  43           H        GLU  43   4.031  -3.310  -8.462
  306    HA   GLU  43           HA       GLU  43   4.742  -4.692 -10.955
  307   1HB   GLU  43          1HB       GLU  43   2.624  -5.077  -9.996
  308   2HB   GLU  43          2HB       GLU  43   2.414  -3.458  -9.635
  309   1HG   GLU  43          2HG       GLU  43   1.681  -2.811 -11.582
  310   2HG   GLU  43          1HG       GLU  43   2.321  -4.212 -12.485
  311    H    SER  44           H        SER  44   4.325  -1.428  -9.689
  312    HA   SER  44           HA       SER  44   4.176  -0.308 -12.403
  313   1HB   SER  44          2HB       SER  44   3.431   1.691 -11.433
  314   2HB   SER  44          1HB       SER  44   2.600   0.369 -10.562
  315    HG   SER  44           HG       SER  44   4.923   1.956  -9.820
  316    H    ASN  45           H        ASN  45   6.694  -1.421 -11.054
  317    HA   ASN  45           HA       ASN  45   8.915  -0.935 -10.974
  318   1HB   ASN  45          1HB       ASN  45   8.162  -0.815 -13.353
  319   2HB   ASN  45          2HB       ASN  45   8.197   0.965 -13.199
  320   1HD2  ASN  45          2HD2      ASN  45  11.643   1.271 -13.596
  321   2HD2  ASN  45          1HD2      ASN  45  10.119   2.044 -13.307
  322    H    GLY  46           H        GLY  46   7.835   0.298  -8.892
  323   1HA   GLY  46          1HA       GLY  46   8.330   1.898  -7.305
  324   2HA   GLY  46          2HA       GLY  46   9.851   2.059  -8.223
  325    H    THR  47           H        THR  47   6.564   2.800  -9.366
  326    HA   THR  47           HA       THR  47   7.317   5.682  -9.392
  327    HB   THR  47           HB       THR  47   7.191   4.368 -11.617
  328    HG1  THR  47           HG1      THR  47   5.554   6.506 -11.146
  329   1HG2  THR  47          1HG2      THR  47   4.704   3.565 -10.806
  330   2HG2  THR  47          2HG2      THR  47   4.324   4.906 -11.916
  331   3HG2  THR  47          3HG2      THR  47   5.326   3.543 -12.476
  332    H    LEU  48           H        LEU  48   4.886   3.336  -8.516
  333    HA   LEU  48           HA       LEU  48   2.621   5.126  -8.394
  334   1HB   LEU  48          1HB       LEU  48   2.119   2.885  -8.626
  335   2HB   LEU  48          2HB       LEU  48   3.346   2.373  -7.433
  336    HG   LEU  48           HG       LEU  48   1.908   3.215  -5.621
  337   1HD1  LEU  48          3HD1      LEU  48   0.033   3.794  -7.930
  338   2HD1  LEU  48          1HD1      LEU  48  -0.510   3.633  -6.241
  339   3HD1  LEU  48          2HD1      LEU  48   0.632   4.925  -6.690
  340   1HD2  LEU  48          2HD2      LEU  48   0.820   1.214  -7.614
  341   2HD2  LEU  48          3HD2      LEU  48   1.780   0.908  -6.144
  342   3HD2  LEU  48          1HD2      LEU  48   0.093   1.467  -6.007
  343    H    THR  49           H        THR  49   4.192   3.437  -5.675
  344    HA   THR  49           HA       THR  49   4.569   4.024  -3.525
  345    HB   THR  49           HB       THR  49   5.952   5.853  -3.089
  346    HG1  THR  49           HG1      THR  49   4.981   6.906  -5.414
  347   1HG2  THR  49          2HG2      THR  49   6.488   4.334  -5.373
  348   2HG2  THR  49          3HG2      THR  49   6.945   6.006  -5.791
  349   3HG2  THR  49          1HG2      THR  49   7.633   5.229  -4.342
  350    H    LEU  50           H        LEU  50   4.236   5.913  -1.849
  351    HA   LEU  50           HA       LEU  50   1.324   5.829  -1.767
  352   1HB   LEU  50          1HB       LEU  50   2.799   4.524  -0.305
  353   2HB   LEU  50          2HB       LEU  50   3.494   6.032   0.346
  354    HG   LEU  50           HG       LEU  50   1.391   6.569   1.444
  355   1HD1  LEU  50          3HD1      LEU  50   0.229   4.957  -0.494
  356   2HD1  LEU  50          2HD1      LEU  50   0.093   3.989   0.994
  357   3HD1  LEU  50          1HD1      LEU  50  -0.575   5.640   0.942
  358   1HD2  LEU  50          3HD2      LEU  50   2.404   3.737   1.810
  359   2HD2  LEU  50          2HD2      LEU  50   2.933   5.210   2.664
  360   3HD2  LEU  50          1HD2      LEU  50   1.298   4.556   2.944
  361    H    SER  51           H        SER  51   0.059   7.537  -1.765
  362    HA   SER  51           HA       SER  51   1.222  10.252  -1.597
  363   1HB   SER  51          1HB       SER  51  -1.087   9.112  -2.888
  364   2HB   SER  51          2HB       SER  51  -1.588  10.383  -1.737
  365    HG   SER  51           HG       SER  51  -1.069  10.918  -4.050
  366    H    HIS  52           H        HIS  52  -1.293   8.219  -0.066
  367    HA   HIS  52           HA       HIS  52  -0.233   8.874   2.513
  368   1HB   HIS  52          2HB       HIS  52  -2.399   9.645   3.543
  369   2HB   HIS  52          1HB       HIS  52  -1.600  10.851   2.493
  370    HD1  HIS  52           HD1      HIS  52  -4.882   9.423   3.095
  371    HD2  HIS  52           HD2      HIS  52  -2.760  10.605  -0.288
  372    HE1  HIS  52           HE1      HIS  52  -6.522   9.433   1.197
  373    HE2  HIS  52           HE2      HIS  52  -5.265  10.246  -0.830
  374    H    PHE  53           H        PHE  53  -1.410   7.703   4.241
  375    HA   PHE  53           HA       PHE  53  -2.279   5.052   3.468
  376   1HB   PHE  53          1HB       PHE  53  -2.556   6.532   6.120
  377   2HB   PHE  53          2HB       PHE  53  -3.013   4.827   5.836
  378    HD1  PHE  53           HD2      PHE  53   0.056   6.974   5.127
  379    HD2  PHE  53           HD1      PHE  53  -1.595   3.334   6.614
  380    HE1  PHE  53           HE2      PHE  53   2.269   6.332   6.053
  381    HE2  PHE  53           HE1      PHE  53   0.674   2.463   7.005
  382    HZ   PHE  53           HZ       PHE  53   2.595   4.008   6.858
  383    H    GLY  54           H        GLY  54  -4.486   4.387   4.602
  384   1HA   GLY  54          1HA       GLY  54  -6.801   4.497   4.607
  385   2HA   GLY  54          2HA       GLY  54  -6.677   6.275   4.548
  386    H    LYS  55           H        LYS  55  -8.598   5.768   3.094
  387    HA   LYS  55           HA       LYS  55  -7.786   5.089   0.311
  388   1HB   LYS  55          2HB       LYS  55 -10.217   5.345  -0.192
  389   2HB   LYS  55          1HB       LYS  55  -9.819   3.991   0.903
  390   1HG   LYS  55          2HG       LYS  55 -10.530   5.366   2.836
  391   2HG   LYS  55          1HG       LYS  55 -10.961   6.693   1.719
  392   1HD   LYS  55          1HD       LYS  55 -12.227   4.353   0.786
  393   2HD   LYS  55          2HD       LYS  55 -12.442   4.329   2.516
  394   1HE   LYS  55          2HE       LYS  55 -12.926   6.940   1.224
  395   2HE   LYS  55          1HE       LYS  55 -14.017   5.620   0.723
  396   1HZ   LYS  55          2HZ       LYS  55 -13.428   6.264   3.435
  397   2HZ   LYS  55          3HZ       LYS  55 -14.695   6.890   2.576
  398   3HZ   LYS  55          1HZ       LYS  55 -14.593   5.291   2.853
  399    H    CYS  56           H        CYS  56  -8.630   6.586  -1.355
  400    HA   CYS  56           HA       CYS  56  -7.144   8.919  -0.951
  401   1HB   CYS  56          1HB       CYS  56  -9.179   8.417  -3.137
  402   2HB   CYS  56          2HB       CYS  56  -7.850   9.611  -3.157
   
  Start of MODEL          11
 Raw file had 402 H/Q atoms
  Start of MODEL   11
    1   1H    LEU   1          1H        LEU   1   9.150  11.502   7.941
    2   2H    LEU   1          2H        LEU   1  10.158  11.540   9.226
    3   3H    LEU   1          3H        LEU   1   9.423  12.910   8.724
    4    HA   LEU   1           HA       LEU   1  11.547  13.149   7.965
    5   1HB   LEU   1          2HB       LEU   1  11.655  10.515   8.424
    6   2HB   LEU   1          1HB       LEU   1  11.543  10.474   6.642
    7    HG   LEU   1           HG       LEU   1  13.853  10.317   7.497
    8   1HD1  LEU   1          1HD1      LEU   1  13.171  11.413   5.282
    9   2HD1  LEU   1          2HD1      LEU   1  13.470  12.968   6.098
   10   3HD1  LEU   1          3HD1      LEU   1  14.793  11.789   5.915
   11   1HD2  LEU   1          3HD2      LEU   1  13.382  11.794   9.477
   12   2HD2  LEU   1          2HD2      LEU   1  14.876  12.191   8.590
   13   3HD2  LEU   1          1HD2      LEU   1  13.417  13.189   8.368
   14    H    ALA   2           H        ALA   2   8.807  13.552   7.038
   15    HA   ALA   2           HA       ALA   2   7.767  14.471   5.212
   16   1HB   ALA   2          2HB       ALA   2  10.682  14.755   4.447
   17   2HB   ALA   2          3HB       ALA   2   9.334  15.520   3.568
   18   3HB   ALA   2          1HB       ALA   2   9.640  15.942   5.272
   19    H    ALA   3           H        ALA   3   8.338  11.543   5.242
   20    HA   ALA   3           HA       ALA   3   7.546  11.185   2.421
   21   1HB   ALA   3          2HB       ALA   3   9.609   9.515   3.870
   22   2HB   ALA   3          3HB       ALA   3   8.721   8.953   2.431
   23   3HB   ALA   3          1HB       ALA   3   9.772  10.388   2.325
   24    H    VAL   4           H        VAL   4   6.689   8.776   2.272
   25    HA   VAL   4           HA       VAL   4   5.749   7.625   4.721
   26    HB   VAL   4           HB       VAL   4   4.103   9.475   4.346
   27   1HG1  VAL   4          3HG1      VAL   4   3.246   7.778   1.988
   28   2HG1  VAL   4          2HG1      VAL   4   2.286   9.094   2.705
   29   3HG1  VAL   4          1HG1      VAL   4   3.858   9.449   1.950
   30   1HG2  VAL   4          3HG2      VAL   4   3.606   6.682   4.952
   31   2HG2  VAL   4          2HG2      VAL   4   3.011   8.156   5.753
   32   3HG2  VAL   4          1HG2      VAL   4   2.147   7.500   4.342
   33    H    SER   5           H        SER   5   5.932   5.550   4.472
   34    HA   SER   5           HA       SER   5   5.303   4.195   1.947
   35   1HB   SER   5          2HB       SER   5   8.156   4.308   2.969
   36   2HB   SER   5          1HB       SER   5   7.548   3.368   1.576
   37    HG   SER   5           HG       SER   5   6.825   5.326   0.592
   38    H    VAL   6           H        VAL   6   3.986   2.800   2.881
   39    HA   VAL   6           HA       VAL   6   4.746   0.952   4.972
   40    HB   VAL   6           HB       VAL   6   2.778   0.822   2.681
   41   1HG1  VAL   6          2HG1      VAL   6   3.577  -1.451   3.411
   42   2HG1  VAL   6          1HG1      VAL   6   2.882  -1.103   5.012
   43   3HG1  VAL   6          3HG1      VAL   6   1.829  -1.162   3.578
   44   1HG2  VAL   6          2HG2      VAL   6   2.700   2.112   5.213
   45   2HG2  VAL   6          3HG2      VAL   6   1.438   2.014   3.962
   46   3HG2  VAL   6          1HG2      VAL   6   1.528   0.772   5.234
   47    H    ASP   7           H        ASP   7   5.580  -1.121   4.714
   48    HA   ASP   7           HA       ASP   7   7.806  -0.980   2.915
   49   1HB   ASP   7          2HB       ASP   7   7.395  -1.994   5.430
   50   2HB   ASP   7          1HB       ASP   7   7.596  -3.459   4.426
   51    H    CYS   8           H        CYS   8   8.227  -1.962   1.094
   52    HA   CYS   8           HA       CYS   8   6.217  -3.911   0.079
   53   1HB   CYS   8          2HB       CYS   8   7.299  -1.525  -1.435
   54   2HB   CYS   8          1HB       CYS   8   6.054  -2.688  -1.961
   55    H    SER   9           H        SER   9   8.838  -4.502   1.084
   56    HA   SER   9           HA       SER   9  10.845  -4.158  -1.021
   57   1HB   SER   9          2HB       SER   9  10.833  -5.168   1.785
   58   2HB   SER   9          1HB       SER   9  12.127  -5.715   0.680
   59    HG   SER   9           HG       SER   9  12.852  -3.724   0.315
   60    H    GLU  10           H        GLU  10   8.382  -6.405  -0.383
   61    HA   GLU  10           HA       GLU  10   9.833  -8.636  -1.704
   62   1HB   GLU  10          2HB       GLU  10   8.800  -9.990   0.195
   63   2HB   GLU  10          1HB       GLU  10  10.354  -9.379   0.289
   64   1HG   GLU  10          1HG       GLU  10   8.747  -9.353   2.308
   65   2HG   GLU  10          2HG       GLU  10   9.891  -8.026   1.962
   66    OH   TYR  11           OH       TYR  11   2.997  -6.364   1.938
   67    H    TYR  11           H        TYR  11   7.865  -7.117  -2.856
   68    HA   TYR  11           HA       TYR  11   5.595  -9.041  -2.905
   69   1HB   TYR  11          1HB       TYR  11   5.800  -6.073  -3.498
   70   2HB   TYR  11          2HB       TYR  11   4.400  -7.059  -4.003
   71    HD1  TYR  11           HD2      TYR  11   6.388  -6.102  -0.990
   72    HD2  TYR  11           HD1      TYR  11   2.615  -7.409  -2.461
   73    HE1  TYR  11           HE2      TYR  11   5.403  -5.747   1.231
   74    HE2  TYR  11           HE1      TYR  11   1.719  -7.387  -0.167
   75    HH   TYR  11           HH       TYR  11   3.236  -5.331   2.182
   76    HA   PRO  12           HA       PRO  12   3.806  -8.720  -4.251
   77   1HB   PRO  12          1HB       PRO  12   2.586  -9.494  -6.591
   78   2HB   PRO  12          2HB       PRO  12   3.292  -7.868  -6.374
   79   1HG   PRO  12          2HG       PRO  12   4.144  -9.978  -8.166
   80   2HG   PRO  12          1HG       PRO  12   4.815  -8.332  -7.988
   81   1HD   PRO  12          1HD       PRO  12   5.789 -10.918  -6.808
   82   2HD   PRO  12          2HD       PRO  12   6.702  -9.436  -7.208
   83    H    LYS  13           H        LYS  13   1.950 -10.148  -3.993
   84    HA   LYS  13           HA       LYS  13   3.147 -12.697  -3.016
   85   1HB   LYS  13          1HB       LYS  13   0.925 -11.022  -1.802
   86   2HB   LYS  13          2HB       LYS  13   1.613 -12.529  -1.133
   87   1HG   LYS  13          1HG       LYS  13   3.849 -11.312  -1.035
   88   2HG   LYS  13          2HG       LYS  13   2.944  -9.813  -1.394
   89   1HD   LYS  13          2HD       LYS  13   3.019  -9.713   0.871
   90   2HD   LYS  13          1HD       LYS  13   1.470 -10.459   0.587
   91   1HE   LYS  13          2HE       LYS  13   3.150 -12.635   0.737
   92   2HE   LYS  13          1HE       LYS  13   3.821 -11.495   1.934
   93   1HZ   LYS  13          1HZ       LYS  13   1.060 -12.197   1.750
   94   2HZ   LYS  13          2HZ       LYS  13   2.142 -12.977   2.679
   95   3HZ   LYS  13          3HZ       LYS  13   1.826 -11.372   2.923
   96    HA   PRO  14           HA       PRO  14  -0.755 -14.524  -4.721
   97   1HB   PRO  14          1HB       PRO  14   0.173 -17.067  -4.304
   98   2HB   PRO  14          2HB       PRO  14   0.863 -15.997  -5.556
   99   1HG   PRO  14          2HG       PRO  14   2.117 -17.006  -3.131
  100   2HG   PRO  14          1HG       PRO  14   2.844 -16.042  -4.447
  101   1HD   PRO  14          2HD       PRO  14   1.801 -15.143  -1.791
  102   2HD   PRO  14          1HD       PRO  14   3.004 -14.369  -2.858
  103    H    ALA  15           H        ALA  15  -0.595 -13.373  -2.018
  104    HA   ALA  15           HA       ALA  15  -3.181 -14.158  -1.355
  105   1HB   ALA  15          1HB       ALA  15  -1.241 -15.979  -0.304
  106   2HB   ALA  15          2HB       ALA  15  -1.983 -15.079   1.044
  107   3HB   ALA  15          3HB       ALA  15  -3.012 -15.970  -0.105
  108    H    CYS  16           H        CYS  16  -4.087 -12.801   0.127
  109    HA   CYS  16           HA       CYS  16  -2.284 -10.848   1.463
  110   1HB   CYS  16          2HB       CYS  16  -4.654 -10.175  -0.300
  111   2HB   CYS  16          1HB       CYS  16  -3.648  -9.025   0.628
  112    H    THR  17           H        THR  17  -3.132  -9.766   3.223
  113    HA   THR  17           HA       THR  17  -5.189 -11.010   4.786
  114    HB   THR  17           HB       THR  17  -5.126  -8.588   5.929
  115    HG1  THR  17           HG1      THR  17  -4.298  -7.681   4.461
  116   1HG2  THR  17          2HG2      THR  17  -4.029 -10.842   6.685
  117   2HG2  THR  17          3HG2      THR  17  -2.519 -10.049   6.164
  118   3HG2  THR  17          1HG2      THR  17  -3.530  -9.300   7.427
  119    H    LEU  18           H        LEU  18  -7.271 -10.349   5.212
  120    HA   LEU  18           HA       LEU  18  -8.534  -9.378   2.795
  121   1HB   LEU  18          1HB       LEU  18  -9.974 -10.395   5.231
  122   2HB   LEU  18          2HB       LEU  18 -10.343 -10.629   3.498
  123    HG   LEU  18           HG       LEU  18  -8.170 -11.996   5.107
  124   1HD1  LEU  18          3HD2      LEU  18 -10.524 -12.698   5.489
  125   2HD1  LEU  18          1HD2      LEU  18 -10.674 -13.039   3.747
  126   3HD1  LEU  18          2HD2      LEU  18  -9.525 -13.970   4.741
  127   1HD2  LEU  18          2HD1      LEU  18  -7.589 -11.465   2.700
  128   2HD2  LEU  18          1HD1      LEU  18  -7.604 -13.194   3.128
  129   3HD2  LEU  18          3HD1      LEU  18  -8.969 -12.488   2.227
  130    H    GLU  19           H        GLU  19  -8.031  -8.211   6.039
  131    HA   GLU  19           HA       GLU  19 -10.015  -6.346   6.310
  132   1HB   GLU  19          1HB       GLU  19  -7.086  -6.294   7.018
  133   2HB   GLU  19          2HB       GLU  19  -8.091  -5.008   7.385
  134   1HG   GLU  19          1HG       GLU  19  -7.989  -6.026   9.365
  135   2HG   GLU  19          2HG       GLU  19  -9.546  -6.519   8.643
  136    OH   TYR  20           OH       TYR  20 -11.317   1.839   0.131
  137    H    TYR  20           H        TYR  20 -10.587  -4.475   5.430
  138    HA   TYR  20           HA       TYR  20  -8.992  -3.415   3.164
  139   1HB   TYR  20          1HB       TYR  20 -11.352  -3.630   2.690
  140   2HB   TYR  20          2HB       TYR  20 -11.781  -2.717   4.165
  141    HD1  TYR  20           HD2      TYR  20  -9.954  -2.364   0.923
  142    HD2  TYR  20           HD1      TYR  20 -12.151  -0.400   3.989
  143    HE1  TYR  20           HE2      TYR  20 -10.182  -0.388  -0.516
  144    HE2  TYR  20           HE1      TYR  20 -12.274   1.629   2.609
  145    HH   TYR  20           HH       TYR  20 -10.424   2.414   0.371
  146    NH1  ARG  21           NH1      ARG  21  -3.208  -1.713   7.135
  147    NH2  ARG  21           NH2      ARG  21  -2.695  -3.933   7.424
  148    H    ARG  21           H        ARG  21  -7.483  -2.037   3.631
  149    HA   ARG  21           HA       ARG  21  -7.909  -0.055   5.743
  150   1HB   ARG  21          1HB       ARG  21  -5.465  -1.844   5.673
  151   2HB   ARG  21          2HB       ARG  21  -5.563  -0.294   6.558
  152   1HG   ARG  21          2HG       ARG  21  -7.529  -1.285   7.821
  153   2HG   ARG  21          1HG       ARG  21  -7.096  -2.855   7.085
  154   1HD   ARG  21          1HD       ARG  21  -5.128  -1.163   8.610
  155   2HD   ARG  21          2HD       ARG  21  -6.190  -2.365   9.397
  156    HE   ARG  21           HE       ARG  21  -5.013  -4.101   8.291
  157   1HH1  ARG  21          2HH1      ARG  21  -3.848  -0.950   7.222
  158   2HH1  ARG  21          1HH1      ARG  21  -2.312  -1.568   6.716
  159   1HH2  ARG  21          2HH2      ARG  21  -2.948  -4.850   7.734
  160   2HH2  ARG  21          1HH2      ARG  21  -1.802  -3.775   7.003
  161    HA   PRO  22           HA       PRO  22  -6.689   0.890   1.372
  162   1HB   PRO  22          1HB       PRO  22  -7.830   3.383   1.286
  163   2HB   PRO  22          2HB       PRO  22  -8.806   1.888   1.218
  164   1HG   PRO  22          2HG       PRO  22  -8.344   3.785   3.505
  165   2HG   PRO  22          1HG       PRO  22  -9.815   2.875   3.059
  166   1HD   PRO  22          2HD       PRO  22  -8.083   2.137   5.127
  167   2HD   PRO  22          1HD       PRO  22  -9.170   1.004   4.284
  168    H    LEU  23           H        LEU  23  -5.020   1.562   0.404
  169    HA   LEU  23           HA       LEU  23  -3.621   3.904   1.610
  170   1HB   LEU  23          1HB       LEU  23  -2.420   1.374   0.452
  171   2HB   LEU  23          2HB       LEU  23  -1.507   2.834   0.917
  172    HG   LEU  23           HG       LEU  23  -3.006   2.164   3.182
  173   1HD1  LEU  23          2HD1      LEU  23  -3.040  -0.113   1.673
  174   2HD1  LEU  23          3HD1      LEU  23  -1.566  -0.350   2.647
  175   3HD1  LEU  23          1HD1      LEU  23  -3.128  -0.055   3.452
  176   1HD2  LEU  23          3HD2      LEU  23  -0.713   3.044   3.084
  177   2HD2  LEU  23          1HD2      LEU  23  -0.812   1.599   4.121
  178   3HD2  LEU  23          2HD2      LEU  23  -0.129   1.472   2.480
  179    H    CYS  24           H        CYS  24  -3.517   5.558   0.299
  180    HA   CYS  24           HA       CYS  24  -4.433   5.231  -2.493
  181   1HB   CYS  24          2HB       CYS  24  -5.297   7.041  -0.923
  182   2HB   CYS  24          1HB       CYS  24  -3.696   7.811  -1.117
  183    H    GLY  25           H        GLY  25  -3.212   5.859  -4.250
  184   1HA   GLY  25          2HA       GLY  25  -0.276   6.081  -3.752
  185   2HA   GLY  25          1HA       GLY  25  -1.024   5.420  -5.229
  186    H    SER  26           H        SER  26   0.801   7.217  -5.723
  187    HA   SER  26           HA       SER  26  -0.126   9.911  -6.047
  188   1HB   SER  26          1HB       SER  26   1.713   8.492  -7.973
  189   2HB   SER  26          2HB       SER  26   1.641  10.221  -7.527
  190    HG   SER  26           HG       SER  26   2.734   9.992  -5.795
  191    H    ASP  27           H        ASP  27  -0.895   6.883  -7.549
  192    HA   ASP  27           HA       ASP  27  -1.578   7.826 -10.126
  193   1HB   ASP  27          2HB       ASP  27  -2.756   5.720 -10.421
  194   2HB   ASP  27          1HB       ASP  27  -1.111   5.521  -9.749
  195    H    ASN  28           H        ASN  28  -3.190   8.081  -7.098
  196    HA   ASN  28           HA       ASN  28  -4.877   9.469  -6.524
  197   1HB   ASN  28          1HB       ASN  28  -5.806  10.975  -7.779
  198   2HB   ASN  28          2HB       ASN  28  -4.457  10.571  -8.872
  199   1HD2  ASN  28          2HD2      ASN  28  -7.636  10.922 -10.796
  200   2HD2  ASN  28          1HD2      ASN  28  -6.619  11.930  -9.823
  201    H    LYS  29           H        LYS  29  -4.916   6.483  -7.933
  202    HA   LYS  29           HA       LYS  29  -7.651   5.996  -6.919
  203   1HB   LYS  29          2HB       LYS  29  -6.359   4.990  -9.100
  204   2HB   LYS  29          1HB       LYS  29  -6.036   3.718  -7.886
  205   1HG   LYS  29          1HG       LYS  29  -8.397   3.398  -7.506
  206   2HG   LYS  29          2HG       LYS  29  -8.798   4.808  -8.528
  207   1HD   LYS  29          1HD       LYS  29  -8.609   3.697 -10.422
  208   2HD   LYS  29          2HD       LYS  29  -7.190   2.817  -9.926
  209   1HE   LYS  29          1HE       LYS  29 -10.005   2.201  -9.033
  210   2HE   LYS  29          2HE       LYS  29  -9.201   1.424 -10.424
  211   1HZ   LYS  29          2HZ       LYS  29  -7.499   0.866  -8.850
  212   2HZ   LYS  29          3HZ       LYS  29  -8.564   1.294  -7.658
  213   3HZ   LYS  29          1HZ       LYS  29  -8.921   0.093  -8.695
  214    H    THR  30           H        THR  30  -7.940   3.953  -5.656
  215    HA   THR  30           HA       THR  30  -6.045   4.118  -3.368
  216    HB   THR  30           HB       THR  30  -8.774   2.814  -3.131
  217    HG1  THR  30           HG1      THR  30  -9.199   4.378  -4.123
  218   1HG2  THR  30          1HG2      THR  30  -7.154   4.534  -1.234
  219   2HG2  THR  30          3HG2      THR  30  -8.726   3.775  -0.875
  220   3HG2  THR  30          2HG2      THR  30  -7.297   2.758  -1.191
  221    OH   TYR  31           OH       TYR  31  -2.137   1.425  -8.194
  222    H    TYR  31           H        TYR  31  -5.574   2.150  -2.226
  223    HA   TYR  31           HA       TYR  31  -5.905  -0.318  -3.869
  224   1HB   TYR  31          1HB       TYR  31  -3.552   0.720  -2.267
  225   2HB   TYR  31          2HB       TYR  31  -3.710  -0.993  -2.751
  226    HD1  TYR  31           HD2      TYR  31  -4.217  -1.335  -5.330
  227    HD2  TYR  31           HD1      TYR  31  -2.450   2.188  -3.732
  228    HE1  TYR  31           HE2      TYR  31  -3.425  -0.726  -7.571
  229    HE2  TYR  31           HE1      TYR  31  -1.618   2.790  -5.965
  230    HH   TYR  31           HH       TYR  31  -1.751   0.497  -8.611
  231    H    GLY  32           H        GLY  32  -6.345  -2.222  -2.867
  232   1HA   GLY  32          1HA       GLY  32  -8.139  -2.167  -0.879
  233   2HA   GLY  32          2HA       GLY  32  -7.235  -3.648  -1.285
  234    H    ASN  33           H        ASN  33  -4.674  -2.917  -0.433
  235    HA   ASN  33           HA       ASN  33  -4.626  -1.659   2.150
  236   1HB   ASN  33          2HB       ASN  33  -4.180  -3.607   3.517
  237   2HB   ASN  33          1HB       ASN  33  -5.825  -3.621   2.822
  238   1HD2  ASN  33          2HD2      ASN  33  -5.000  -7.053   2.339
  239   2HD2  ASN  33          1HD2      ASN  33  -5.606  -5.945   3.525
  240    H    LYS  34           H        LYS  34  -2.448  -3.184   3.192
  241    HA   LYS  34           HA       LYS  34  -0.327  -1.913   1.823
  242   1HB   LYS  34          1HB       LYS  34   1.130  -3.427   3.262
  243   2HB   LYS  34          2HB       LYS  34   0.008  -2.321   4.105
  244   1HG   LYS  34          2HG       LYS  34  -0.693  -4.094   5.279
  245   2HG   LYS  34          1HG       LYS  34  -1.454  -4.692   3.776
  246   1HD   LYS  34          1HD       LYS  34  -0.061  -6.350   4.917
  247   2HD   LYS  34          2HD       LYS  34   0.435  -6.037   3.275
  248   1HE   LYS  34          1HE       LYS  34   2.463  -5.433   3.915
  249   2HE   LYS  34          2HE       LYS  34   1.818  -4.284   5.118
  250   1HZ   LYS  34          1HZ       LYS  34   2.007  -7.115   5.473
  251   2HZ   LYS  34          2HZ       LYS  34   3.114  -6.032   5.968
  252   3HZ   LYS  34          3HZ       LYS  34   1.573  -5.993   6.567
  253    H    CYS  35           H        CYS  35  -1.640  -5.181   1.620
  254    HA   CYS  35           HA       CYS  35   0.344  -6.223  -0.069
  255   1HB   CYS  35          2HB       CYS  35  -1.515  -7.435   1.174
  256   2HB   CYS  35          1HB       CYS  35  -2.566  -7.007  -0.206
  257    H    ASN  36           H        ASN  36  -2.828  -4.805  -0.941
  258    HA   ASN  36           HA       ASN  36  -2.238  -5.157  -3.739
  259   1HB   ASN  36          2HB       ASN  36  -4.607  -4.040  -2.260
  260   2HB   ASN  36          1HB       ASN  36  -4.480  -4.035  -4.043
  261   1HD2  ASN  36          2HD2      ASN  36  -4.979  -7.575  -1.965
  262   2HD2  ASN  36          1HD2      ASN  36  -4.531  -6.114  -1.149
  263    H    PHE  37           H        PHE  37  -1.878  -2.608  -1.443
  264    HA   PHE  37           HA       PHE  37  -1.305  -0.509  -3.356
  265   1HB   PHE  37          1HB       PHE  37  -1.707   0.202  -1.112
  266   2HB   PHE  37          2HB       PHE  37  -0.499  -0.922  -0.443
  267    HD1  PHE  37           HD1      PHE  37  -0.806   1.877  -2.842
  268    HD2  PHE  37           HD2      PHE  37   1.572   0.085   0.204
  269    HE1  PHE  37           HE1      PHE  37   0.919   3.583  -3.215
  270    HE2  PHE  37           HE2      PHE  37   3.265   1.869  -0.062
  271    HZ   PHE  37           HZ       PHE  37   3.001   3.524  -1.892
  272    H    CYS  38           H        CYS  38   0.781  -2.693  -1.404
  273    HA   CYS  38           HA       CYS  38   3.095  -1.761  -2.668
  274   1HB   CYS  38          2HB       CYS  38   2.543  -4.152  -0.918
  275   2HB   CYS  38          1HB       CYS  38   4.165  -3.831  -1.593
  276    H    ASN  39           H        ASN  39   0.977  -4.420  -3.489
  277    HA   ASN  39           HA       ASN  39   2.605  -5.637  -5.453
  278   1HB   ASN  39          2HB       ASN  39  -0.381  -5.438  -5.147
  279   2HB   ASN  39          1HB       ASN  39   0.401  -6.291  -6.509
  280   1HD2  ASN  39          2HD2      ASN  39  -0.395  -8.558  -3.542
  281   2HD2  ASN  39          1HD2      ASN  39  -1.321  -7.304  -4.297
  282    H    ALA  40           H        ALA  40   0.279  -2.945  -5.717
  283    HA   ALA  40           HA       ALA  40   0.645  -2.685  -8.536
  284   1HB   ALA  40          3HB       ALA  40  -1.179  -1.803  -6.695
  285   2HB   ALA  40          2HB       ALA  40  -0.307  -0.303  -7.100
  286   3HB   ALA  40          1HB       ALA  40  -1.074  -1.264  -8.390
  287    H    VAL  41           H        VAL  41   2.354  -1.438  -5.778
  288    HA   VAL  41           HA       VAL  41   3.895   0.480  -7.248
  289    HB   VAL  41           HB       VAL  41   4.465  -0.967  -4.652
  290   1HG1  VAL  41          1HG1      VAL  41   6.286   0.489  -6.151
  291   2HG1  VAL  41          2HG1      VAL  41   5.689   1.660  -4.951
  292   3HG1  VAL  41          3HG1      VAL  41   6.393   0.116  -4.414
  293   1HG2  VAL  41          2HG2      VAL  41   2.769   1.327  -5.360
  294   2HG2  VAL  41          1HG2      VAL  41   2.724   0.244  -3.948
  295   3HG2  VAL  41          3HG2      VAL  41   3.866   1.608  -3.986
  296    H    VAL  42           H        VAL  42   4.740  -2.786  -6.031
  297    HA   VAL  42           HA       VAL  42   7.211  -2.813  -7.348
  298    HB   VAL  42           HB       VAL  42   6.837  -4.078  -5.393
  299   1HG1  VAL  42          1HG1      VAL  42   4.398  -4.910  -6.613
  300   2HG1  VAL  42          2HG1      VAL  42   5.348  -6.360  -6.211
  301   3HG1  VAL  42          3HG1      VAL  42   4.967  -5.168  -4.946
  302   1HG2  VAL  42          3HG2      VAL  42   8.075  -5.106  -7.664
  303   2HG2  VAL  42          1HG2      VAL  42   8.329  -5.612  -5.977
  304   3HG2  VAL  42          2HG2      VAL  42   7.154  -6.475  -6.998
  305    H    GLU  43           H        GLU  43   4.071  -3.443  -8.592
  306    HA   GLU  43           HA       GLU  43   4.920  -4.978 -10.947
  307   1HB   GLU  43          1HB       GLU  43   2.487  -3.259 -10.445
  308   2HB   GLU  43          2HB       GLU  43   2.762  -4.244 -11.766
  309   1HG   GLU  43          2HG       GLU  43   2.934  -5.893  -9.563
  310   2HG   GLU  43          1HG       GLU  43   1.430  -4.940  -9.429
  311    H    SER  44           H        SER  44   4.535  -1.636  -9.874
  312    HA   SER  44           HA       SER  44   4.757  -0.658 -12.625
  313   1HB   SER  44          2HB       SER  44   3.958   1.396 -11.851
  314   2HB   SER  44          1HB       SER  44   3.030   0.155 -10.961
  315    HG   SER  44           HG       SER  44   4.183   0.433  -9.130
  316    H    ASN  45           H        ASN  45   7.082  -1.806 -11.085
  317    HA   ASN  45           HA       ASN  45   9.326  -1.475 -11.086
  318   1HB   ASN  45          1HB       ASN  45   8.734   0.437 -13.333
  319   2HB   ASN  45          2HB       ASN  45  10.150  -0.628 -13.102
  320   1HD2  ASN  45          2HD2      ASN  45   6.730  -1.967 -14.885
  321   2HD2  ASN  45          1HD2      ASN  45   6.910  -0.343 -14.308
  322    H    GLY  46           H        GLY  46   8.443  -0.166  -8.994
  323   1HA   GLY  46          1HA       GLY  46   8.960   1.503  -7.484
  324   2HA   GLY  46          2HA       GLY  46  10.460   1.624  -8.441
  325    H    THR  47           H        THR  47   7.181   2.308  -9.616
  326    HA   THR  47           HA       THR  47   7.952   5.157  -9.900
  327    HB   THR  47           HB       THR  47   6.285   5.271 -11.714
  328    HG1  THR  47           HG1      THR  47   4.908   4.167 -11.016
  329   1HG2  THR  47          2HG2      THR  47   8.428   3.237 -11.820
  330   2HG2  THR  47          1HG2      THR  47   7.187   3.132 -13.095
  331   3HG2  THR  47          3HG2      THR  47   8.109   4.640 -12.872
  332    H    LEU  48           H        LEU  48   5.193   3.073  -8.984
  333    HA   LEU  48           HA       LEU  48   3.536   5.369  -8.209
  334   1HB   LEU  48          1HB       LEU  48   2.356   3.600  -9.155
  335   2HB   LEU  48          2HB       LEU  48   3.278   2.368  -8.246
  336    HG   LEU  48           HG       LEU  48   2.111   3.396  -6.166
  337   1HD1  LEU  48          1HD1      LEU  48   1.114   5.162  -7.970
  338   2HD1  LEU  48          3HD1      LEU  48  -0.176   3.932  -7.975
  339   3HD1  LEU  48          2HD1      LEU  48   0.297   4.723  -6.449
  340   1HD2  LEU  48          2HD2      LEU  48   0.729   1.727  -8.291
  341   2HD2  LEU  48          1HD2      LEU  48   1.766   1.147  -6.963
  342   3HD2  LEU  48          3HD2      LEU  48   0.177   1.868  -6.603
  343    H    THR  49           H        THR  49   3.052   5.952  -6.133
  344    HA   THR  49           HA       THR  49   4.535   4.752  -3.886
  345    HB   THR  49           HB       THR  49   6.351   5.944  -4.607
  346    HG1  THR  49           HG1      THR  49   4.894   7.901  -3.369
  347   1HG2  THR  49          1HG2      THR  49   4.453   7.787  -5.955
  348   2HG2  THR  49          2HG2      THR  49   6.028   8.449  -5.446
  349   3HG2  THR  49          3HG2      THR  49   5.964   7.023  -6.513
  350    H    LEU  50           H        LEU  50   4.250   6.152  -1.896
  351    HA   LEU  50           HA       LEU  50   1.372   6.160  -1.689
  352   1HB   LEU  50          1HB       LEU  50   3.021   4.748  -0.458
  353   2HB   LEU  50          2HB       LEU  50   3.561   6.209   0.411
  354    HG   LEU  50           HG       LEU  50   1.417   6.381   1.537
  355   1HD1  LEU  50          1HD1      LEU  50   0.649   4.293  -0.457
  356   2HD1  LEU  50          2HD1      LEU  50  -0.046   4.191   1.180
  357   3HD1  LEU  50          3HD1      LEU  50  -0.290   5.658   0.199
  358   1HD2  LEU  50          1HD2      LEU  50   2.789   3.694   1.485
  359   2HD2  LEU  50          3HD2      LEU  50   2.963   5.021   2.663
  360   3HD2  LEU  50          2HD2      LEU  50   1.466   4.054   2.623
  361    H    SER  51           H        SER  51   0.093   7.840  -1.409
  362    HA   SER  51           HA       SER  51   1.324  10.516  -1.023
  363   1HB   SER  51          2HB       SER  51  -0.310  10.106  -2.918
  364   2HB   SER  51          1HB       SER  51  -1.574   9.941  -1.666
  365    HG   SER  51           HG       SER  51  -0.220  12.133  -2.755
  366    H    HIS  52           H        HIS  52  -0.938   8.155   0.323
  367    HA   HIS  52           HA       HIS  52  -0.161   8.803   3.000
  368   1HB   HIS  52          2HB       HIS  52  -2.413   9.577   3.810
  369   2HB   HIS  52          1HB       HIS  52  -1.509  10.785   2.852
  370    HD1  HIS  52           HD1      HIS  52  -4.848   9.440   3.138
  371    HD2  HIS  52           HD2      HIS  52  -2.383  10.487  -0.052
  372    HE1  HIS  52           HE1      HIS  52  -6.327   9.586   1.121
  373    HE2  HIS  52           HE2      HIS  52  -4.846  10.247  -0.808
  374    H    PHE  53           H        PHE  53  -1.181   7.478   4.556
  375    HA   PHE  53           HA       PHE  53  -2.287   4.958   3.703
  376   1HB   PHE  53          1HB       PHE  53  -2.348   6.335   6.422
  377   2HB   PHE  53          2HB       PHE  53  -2.986   4.698   6.094
  378    HD1  PHE  53           HD2      PHE  53   0.251   6.489   5.190
  379    HD2  PHE  53           HD1      PHE  53  -1.697   3.138   6.969
  380    HE1  PHE  53           HE2      PHE  53   2.431   5.656   6.036
  381    HE2  PHE  53           HE1      PHE  53   0.483   2.064   7.347
  382    HZ   PHE  53           HZ       PHE  53   2.548   3.367   6.987
  383    H    GLY  54           H        GLY  54  -4.489   4.360   4.840
  384   1HA   GLY  54          1HA       GLY  54  -6.786   4.481   4.657
  385   2HA   GLY  54          2HA       GLY  54  -6.645   6.252   4.803
  386    H    LYS  55           H        LYS  55  -8.445   6.090   3.205
  387    HA   LYS  55           HA       LYS  55  -7.628   5.210   0.477
  388   1HB   LYS  55          2HB       LYS  55  -9.992   5.361  -0.108
  389   2HB   LYS  55          1HB       LYS  55  -9.715   4.228   1.245
  390   1HG   LYS  55          2HG       LYS  55 -10.630   5.760   2.833
  391   2HG   LYS  55          1HG       LYS  55 -10.616   7.100   1.652
  392   1HD   LYS  55          2HD       LYS  55 -12.831   6.511   1.673
  393   2HD   LYS  55          1HD       LYS  55 -12.222   5.619   0.305
  394   1HE   LYS  55          1HE       LYS  55 -12.062   3.596   1.583
  395   2HE   LYS  55          2HE       LYS  55 -12.577   4.452   3.061
  396   1HZ   LYS  55          2HZ       LYS  55 -14.115   4.341   0.666
  397   2HZ   LYS  55          3HZ       LYS  55 -14.233   3.250   1.904
  398   3HZ   LYS  55          1HZ       LYS  55 -14.575   4.821   2.150
  399    H    CYS  56           H        CYS  56  -8.402   6.592  -1.302
  400    HA   CYS  56           HA       CYS  56  -7.060   9.018  -1.067
  401   1HB   CYS  56          1HB       CYS  56  -9.079   8.249  -3.190
  402   2HB   CYS  56          2HB       CYS  56  -7.838   9.530  -3.307
   
  Start of MODEL          12
 Raw file had 402 H/Q atoms
  Start of MODEL   12
    1   1H    LEU   1          3H        LEU   1  13.984  13.278   4.291
    2   2H    LEU   1          1H        LEU   1  13.887  14.734   5.025
    3   3H    LEU   1          2H        LEU   1  14.618  13.485   5.782
    4    HA   LEU   1           HA       LEU   1  12.619  13.613   6.835
    5   1HB   LEU   1          1HB       LEU   1  10.618  14.183   5.753
    6   2HB   LEU   1          2HB       LEU   1  11.873  15.223   5.021
    7    HG   LEU   1           HG       LEU   1  10.957  12.677   3.693
    8   1HD1  LEU   1          2HD1      LEU   1   9.220  14.725   4.282
    9   2HD1  LEU   1          3HD1      LEU   1   9.850  15.211   2.688
   10   3HD1  LEU   1          1HD1      LEU   1   9.078  13.618   2.893
   11   1HD2  LEU   1          2HD2      LEU   1  12.438  15.200   2.969
   12   2HD2  LEU   1          3HD2      LEU   1  12.915  13.500   2.730
   13   3HD2  LEU   1          1HD2      LEU   1  11.637  14.218   1.716
   14    H    ALA   2           H        ALA   2  10.425  12.071   6.073
   15    HA   ALA   2           HA       ALA   2  11.756   9.424   5.740
   16   1HB   ALA   2          3HB       ALA   2  11.018  10.102   8.040
   17   2HB   ALA   2          2HB       ALA   2   9.341  10.089   7.437
   18   3HB   ALA   2          1HB       ALA   2  10.304   8.589   7.427
   19    H    ALA   3           H        ALA   3   9.116  11.499   4.821
   20    HA   ALA   3           HA       ALA   3   7.294  11.251   3.447
   21   1HB   ALA   3          1HB       ALA   3   9.136  10.053   2.015
   22   2HB   ALA   3          2HB       ALA   3   8.257   8.578   2.492
   23   3HB   ALA   3          3HB       ALA   3   7.409   9.875   1.613
   24    H    VAL   4           H        VAL   4   5.767   9.097   2.774
   25    HA   VAL   4           HA       VAL   4   5.540   7.424   5.209
   26    HB   VAL   4           HB       VAL   4   3.177   7.188   4.930
   27   1HG1  VAL   4          1HG1      VAL   4   4.274   9.947   5.234
   28   2HG1  VAL   4          2HG1      VAL   4   2.509   9.741   5.137
   29   3HG1  VAL   4          3HG1      VAL   4   3.433   8.904   6.406
   30   1HG2  VAL   4          3HG2      VAL   4   3.449   7.749   2.327
   31   2HG2  VAL   4          2HG2      VAL   4   1.902   7.872   3.199
   32   3HG2  VAL   4          1HG2      VAL   4   2.876   9.333   2.903
   33    H    SER   5           H        SER   5   5.746   5.334   4.879
   34    HA   SER   5           HA       SER   5   5.513   4.151   2.226
   35   1HB   SER   5          2HB       SER   5   8.243   4.504   3.497
   36   2HB   SER   5          1HB       SER   5   7.875   3.394   2.145
   37    HG   SER   5           HG       SER   5   7.740   6.283   2.362
   38    H    VAL   6           H        VAL   6   4.165   2.673   2.997
   39    HA   VAL   6           HA       VAL   6   4.865   0.705   4.999
   40    HB   VAL   6           HB       VAL   6   3.030   0.687   2.596
   41   1HG1  VAL   6          2HG1      VAL   6   3.977  -1.608   3.443
   42   2HG1  VAL   6          3HG1      VAL   6   2.805  -1.372   4.763
   43   3HG1  VAL   6          1HG1      VAL   6   2.245  -1.418   3.074
   44   1HG2  VAL   6          2HG2      VAL   6   2.477   0.959   5.558
   45   2HG2  VAL   6          3HG2      VAL   6   2.291   2.207   4.302
   46   3HG2  VAL   6          1HG2      VAL   6   1.236   0.774   4.294
   47    H    ASP   7           H        ASP   7   5.818  -1.295   4.666
   48    HA   ASP   7           HA       ASP   7   8.079  -1.007   2.842
   49   1HB   ASP   7          2HB       ASP   7   7.505  -2.606   5.265
   50   2HB   ASP   7          1HB       ASP   7   8.628  -3.308   4.063
   51    H    CYS   8           H        CYS   8   8.259  -1.846   0.942
   52    HA   CYS   8           HA       CYS   8   6.115  -3.728   0.111
   53   1HB   CYS   8          2HB       CYS   8   7.435  -1.528  -1.493
   54   2HB   CYS   8          1HB       CYS   8   6.079  -2.573  -1.998
   55    H    SER   9           H        SER   9   8.935  -4.331   0.978
   56    HA   SER   9           HA       SER   9  10.445  -4.865  -1.498
   57   1HB   SER   9          2HB       SER   9  11.064  -4.694   1.342
   58   2HB   SER   9          1HB       SER   9  11.760  -6.147   0.568
   59    HG   SER   9           HG       SER   9  11.850  -3.412  -0.426
   60    H    GLU  10           H        GLU  10   8.013  -6.354   0.361
   61    HA   GLU  10           HA       GLU  10   9.184  -9.072   0.185
   62   1HB   GLU  10          1HB       GLU  10   6.594  -8.372   1.483
   63   2HB   GLU  10          2HB       GLU  10   7.646  -9.638   1.773
   64   1HG   GLU  10          2HG       GLU  10   7.355  -8.019   3.516
   65   2HG   GLU  10          1HG       GLU  10   9.037  -8.512   3.172
   66    OH   TYR  11           OH       TYR  11   3.167  -6.708   2.611
   67    H    TYR  11           H        TYR  11   7.795  -7.435  -2.056
   68    HA   TYR  11           HA       TYR  11   5.403  -9.147  -2.494
   69   1HB   TYR  11          1HB       TYR  11   5.817  -6.161  -2.908
   70   2HB   TYR  11          2HB       TYR  11   4.365  -7.066  -3.421
   71    HD1  TYR  11           HD2      TYR  11   6.368  -6.052  -0.464
   72    HD2  TYR  11           HD1      TYR  11   2.710  -7.775  -1.775
   73    HE1  TYR  11           HE2      TYR  11   5.458  -5.826   1.806
   74    HE2  TYR  11           HE1      TYR  11   1.823  -7.651   0.513
   75    HH   TYR  11           HH       TYR  11   2.834  -7.730   2.784
   76    HA   PRO  12           HA       PRO  12   3.720  -8.684  -4.091
   77   1HB   PRO  12          1HB       PRO  12   2.885 -10.088  -6.325
   78   2HB   PRO  12          2HB       PRO  12   3.166  -8.324  -6.331
   79   1HG   PRO  12          2HG       PRO  12   4.610 -10.363  -7.768
   80   2HG   PRO  12          1HG       PRO  12   4.898  -8.601  -7.763
   81   1HD   PRO  12          1HD       PRO  12   6.307 -10.759  -6.214
   82   2HD   PRO  12          2HD       PRO  12   6.913  -9.170  -6.758
   83    H    LYS  13           H        LYS  13   2.178 -10.363  -3.610
   84    HA   LYS  13           HA       LYS  13   3.828 -12.282  -2.027
   85   1HB   LYS  13          1HB       LYS  13   2.157 -10.232  -1.135
   86   2HB   LYS  13          2HB       LYS  13   1.178 -11.713  -0.944
   87   1HG   LYS  13          2HG       LYS  13   2.628 -12.632   0.616
   88   2HG   LYS  13          1HG       LYS  13   4.025 -11.682   0.033
   89   1HD   LYS  13          1HD       LYS  13   3.527  -9.926   1.327
   90   2HD   LYS  13          2HD       LYS  13   1.805 -10.083   1.120
   91   1HE   LYS  13          1HE       LYS  13   2.217 -10.456   3.384
   92   2HE   LYS  13          2HE       LYS  13   1.916 -12.073   2.690
   93   1HZ   LYS  13          3HZ       LYS  13   4.510 -10.937   2.996
   94   2HZ   LYS  13          1HZ       LYS  13   3.777 -11.806   4.159
   95   3HZ   LYS  13          2HZ       LYS  13   4.069 -12.508   2.722
   96    HA   PRO  14           HA       PRO  14   0.663 -15.334  -3.473
   97   1HB   PRO  14          1HB       PRO  14   1.863 -17.384  -2.102
   98   2HB   PRO  14          2HB       PRO  14   2.616 -16.620  -3.531
   99   1HG   PRO  14          2HG       PRO  14   3.504 -16.570  -0.762
  100   2HG   PRO  14          1HG       PRO  14   4.319 -15.911  -2.209
  101   1HD   PRO  14          2HD       PRO  14   2.652 -14.498  -0.166
  102   2HD   PRO  14          1HD       PRO  14   3.898 -13.843  -1.262
  103    H    ALA  15           H        ALA  15   0.093 -13.431  -1.295
  104    HA   ALA  15           HA       ALA  15  -2.450 -14.473  -0.890
  105   1HB   ALA  15          2HB       ALA  15  -0.536 -15.171   1.271
  106   2HB   ALA  15          3HB       ALA  15  -2.129 -14.549   1.771
  107   3HB   ALA  15          1HB       ALA  15  -2.023 -15.990   0.729
  108    H    CYS  16           H        CYS  16  -3.788 -12.858  -0.408
  109    HA   CYS  16           HA       CYS  16  -2.727 -10.597   1.194
  110   1HB   CYS  16          2HB       CYS  16  -4.791 -10.283  -1.000
  111   2HB   CYS  16          1HB       CYS  16  -4.102  -9.014   0.047
  112    H    THR  17           H        THR  17  -4.016  -9.906   2.813
  113    HA   THR  17           HA       THR  17  -6.521 -11.423   3.317
  114    HB   THR  17           HB       THR  17  -6.406  -9.934   5.523
  115    HG1  THR  17           HG1      THR  17  -3.827 -10.254   4.673
  116   1HG2  THR  17          3HG2      THR  17  -6.005 -12.528   5.117
  117   2HG2  THR  17          2HG2      THR  17  -4.360 -12.091   5.648
  118   3HG2  THR  17          1HG2      THR  17  -5.757 -11.742   6.698
  119    H    LEU  18           H        LEU  18  -8.382 -10.537   2.823
  120    HA   LEU  18           HA       LEU  18  -8.378  -7.841   1.793
  121   1HB   LEU  18          1HB       LEU  18 -10.316 -10.164   1.824
  122   2HB   LEU  18          2HB       LEU  18 -10.679  -8.600   1.039
  123    HG   LEU  18           HG       LEU  18  -9.980 -10.159  -0.631
  124   1HD1  LEU  18          1HD1      LEU  18  -9.118  -7.796  -0.727
  125   2HD1  LEU  18          3HD1      LEU  18  -7.602  -8.386   0.001
  126   3HD1  LEU  18          2HD1      LEU  18  -8.114  -8.986  -1.597
  127   1HD2  LEU  18          2HD2      LEU  18  -8.769 -11.595   1.083
  128   2HD2  LEU  18          1HD2      LEU  18  -7.979 -11.430  -0.507
  129   3HD2  LEU  18          3HD2      LEU  18  -7.385 -10.489   0.885
  130    H    GLU  19           H        GLU  19  -8.175  -8.078   4.681
  131    HA   GLU  19           HA       GLU  19 -10.572  -6.618   5.640
  132   1HB   GLU  19          1HB       GLU  19  -9.659  -6.830   7.649
  133   2HB   GLU  19          2HB       GLU  19  -8.963  -8.145   6.884
  134   1HG   GLU  19          2HG       GLU  19  -7.432  -5.682   7.001
  135   2HG   GLU  19          1HG       GLU  19  -7.537  -6.731   8.442
  136    OH   TYR  20           OH       TYR  20 -11.161   2.082   0.508
  137    H    TYR  20           H        TYR  20 -10.769  -4.492   5.399
  138    HA   TYR  20           HA       TYR  20  -8.975  -3.419   3.390
  139   1HB   TYR  20          1HB       TYR  20 -11.322  -3.433   2.911
  140   2HB   TYR  20          2HB       TYR  20 -11.705  -2.562   4.423
  141    HD1  TYR  20           HD2      TYR  20  -9.828  -2.146   1.215
  142    HD2  TYR  20           HD1      TYR  20 -12.132  -0.275   4.262
  143    HE1  TYR  20           HE2      TYR  20  -9.992  -0.121  -0.164
  144    HE2  TYR  20           HE1      TYR  20 -12.305   1.757   2.891
  145    HH   TYR  20           HH       TYR  20 -11.948   1.910  -0.223
  146    NH1  ARG  21           NH1      ARG  21  -4.254   1.573   7.935
  147    NH2  ARG  21           NH2      ARG  21  -5.205   2.317   9.888
  148    H    ARG  21           H        ARG  21  -7.316  -2.232   3.865
  149    HA   ARG  21           HA       ARG  21  -7.747   0.063   5.661
  150   1HB   ARG  21          1HB       ARG  21  -5.366  -1.782   5.729
  151   2HB   ARG  21          2HB       ARG  21  -5.184  -0.041   6.091
  152   1HG   ARG  21          2HG       ARG  21  -7.051  -0.393   7.821
  153   2HG   ARG  21          1HG       ARG  21  -6.749  -2.140   7.602
  154   1HD   ARG  21          2HD       ARG  21  -5.121  -1.983   9.071
  155   2HD   ARG  21          1HD       ARG  21  -4.229  -0.964   7.908
  156    HE   ARG  21           HE       ARG  21  -5.637  -0.091  10.305
  157   1HH1  ARG  21          2HH1      ARG  21  -4.017   0.827   7.312
  158   2HH1  ARG  21          1HH1      ARG  21  -3.983   2.510   7.717
  159   1HH2  ARG  21          2HH2      ARG  21  -5.691   2.133  10.743
  160   2HH2  ARG  21          1HH2      ARG  21  -4.929   3.250   9.660
  161    HA   PRO  22           HA       PRO  22  -6.776   1.172   1.204
  162   1HB   PRO  22          1HB       PRO  22  -7.666   3.816   1.998
  163   2HB   PRO  22          2HB       PRO  22  -8.518   2.632   0.967
  164   1HG   PRO  22          2HG       PRO  22  -8.849   3.212   3.876
  165   2HG   PRO  22          1HG       PRO  22 -10.021   2.546   2.703
  166   1HD   PRO  22          2HD       PRO  22  -8.925   0.939   4.594
  167   2HD   PRO  22          1HD       PRO  22  -9.128   0.320   2.927
  168    H    LEU  23           H        LEU  23  -5.004   1.595   0.369
  169    HA   LEU  23           HA       LEU  23  -3.527   3.909   1.530
  170   1HB   LEU  23          1HB       LEU  23  -2.392   1.364   0.338
  171   2HB   LEU  23          2HB       LEU  23  -1.449   2.803   0.810
  172    HG   LEU  23           HG       LEU  23  -2.947   2.097   3.082
  173   1HD1  LEU  23          3HD1      LEU  23  -2.944  -0.155   1.534
  174   2HD1  LEU  23          1HD1      LEU  23  -1.470  -0.384   2.506
  175   3HD1  LEU  23          2HD1      LEU  23  -3.037  -0.125   3.314
  176   1HD2  LEU  23          1HD2      LEU  23  -0.060   1.515   2.330
  177   2HD2  LEU  23          3HD2      LEU  23  -0.693   3.019   3.047
  178   3HD2  LEU  23          2HD2      LEU  23  -0.722   1.504   3.984
  179    H    CYS  24           H        CYS  24  -3.385   5.548   0.199
  180    HA   CYS  24           HA       CYS  24  -4.452   5.087  -2.524
  181   1HB   CYS  24          2HB       CYS  24  -5.572   6.544  -0.668
  182   2HB   CYS  24          1HB       CYS  24  -4.369   7.763  -1.171
  183    H    GLY  25           H        GLY  25  -3.152   5.250  -4.178
  184   1HA   GLY  25          2HA       GLY  25  -0.378   5.961  -3.708
  185   2HA   GLY  25          1HA       GLY  25  -1.074   5.311  -5.215
  186    H    SER  26           H        SER  26   0.690   7.098  -5.743
  187    HA   SER  26           HA       SER  26  -0.177   9.803  -5.637
  188   1HB   SER  26          2HB       SER  26   2.174   9.113  -5.829
  189   2HB   SER  26          1HB       SER  26   1.867   8.562  -7.502
  190    HG   SER  26           HG       SER  26   1.747  10.487  -8.274
  191    H    ASP  27           H        ASP  27  -0.791   7.198  -7.864
  192    HA   ASP  27           HA       ASP  27  -1.806   8.744 -10.039
  193   1HB   ASP  27          2HB       ASP  27  -2.903   6.735 -10.763
  194   2HB   ASP  27          1HB       ASP  27  -1.215   6.408 -10.267
  195    H    ASN  28           H        ASN  28  -2.945   8.124  -6.853
  196    HA   ASN  28           HA       ASN  28  -4.703   8.990  -5.712
  197   1HB   ASN  28          1HB       ASN  28  -4.260  11.014  -7.151
  198   2HB   ASN  28          2HB       ASN  28  -5.617  10.458  -8.173
  199   1HD2  ASN  28          2HD2      ASN  28  -8.072  11.810  -6.134
  200   2HD2  ASN  28          1HD2      ASN  28  -7.602  11.129  -7.656
  201    H    LYS  29           H        LYS  29  -4.712   6.492  -7.162
  202    HA   LYS  29           HA       LYS  29  -7.635   6.116  -6.708
  203   1HB   LYS  29          2HB       LYS  29  -5.786   4.298  -8.292
  204   2HB   LYS  29          1HB       LYS  29  -7.473   3.935  -7.833
  205   1HG   LYS  29          2HG       LYS  29  -6.491   6.091  -9.738
  206   2HG   LYS  29          1HG       LYS  29  -7.463   4.643 -10.126
  207   1HD   LYS  29          2HD       LYS  29  -8.385   6.865  -8.287
  208   2HD   LYS  29          1HD       LYS  29  -8.613   6.907 -10.014
  209   1HE   LYS  29          2HE       LYS  29  -9.511   4.370  -9.168
  210   2HE   LYS  29          1HE       LYS  29 -10.156   5.579  -8.025
  211   1HZ   LYS  29          3HZ       LYS  29 -10.817   6.791  -9.924
  212   2HZ   LYS  29          1HZ       LYS  29 -10.392   5.539 -10.873
  213   3HZ   LYS  29          2HZ       LYS  29 -11.556   5.320  -9.757
  214    H    THR  30           H        THR  30  -7.939   3.768  -5.833
  215    HA   THR  30           HA       THR  30  -6.328   3.881  -3.353
  216    HB   THR  30           HB       THR  30  -8.968   2.442  -3.392
  217    HG1  THR  30           HG1      THR  30  -8.617   5.150  -3.533
  218   1HG2  THR  30          2HG2      THR  30  -7.529   4.263  -1.489
  219   2HG2  THR  30          1HG2      THR  30  -9.278   3.967  -1.322
  220   3HG2  THR  30          3HG2      THR  30  -8.134   2.602  -1.263
  221    OH   TYR  31           OH       TYR  31  -2.164   1.988  -7.934
  222    H    TYR  31           H        TYR  31  -5.745   2.025  -2.226
  223    HA   TYR  31           HA       TYR  31  -5.925  -0.531  -3.754
  224   1HB   TYR  31          1HB       TYR  31  -3.619   0.609  -2.132
  225   2HB   TYR  31          2HB       TYR  31  -3.678  -1.042  -2.811
  226    HD1  TYR  31           HD2      TYR  31  -4.030  -1.198  -5.381
  227    HD2  TYR  31           HD1      TYR  31  -2.735   2.362  -3.447
  228    HE1  TYR  31           HE2      TYR  31  -3.233  -0.328  -7.533
  229    HE2  TYR  31           HE1      TYR  31  -1.911   3.234  -5.591
  230    HH   TYR  31           HH       TYR  31  -1.633   1.146  -8.372
  231    H    GLY  32           H        GLY  32  -6.517  -2.310  -2.706
  232   1HA   GLY  32          1HA       GLY  32  -8.177  -2.074  -0.602
  233   2HA   GLY  32          2HA       GLY  32  -7.454  -3.637  -1.066
  234    H    ASN  33           H        ASN  33  -4.755  -3.047  -0.398
  235    HA   ASN  33           HA       ASN  33  -4.529  -1.829   2.232
  236   1HB   ASN  33          2HB       ASN  33  -4.030  -3.802   3.472
  237   2HB   ASN  33          1HB       ASN  33  -5.665  -3.916   2.761
  238   1HD2  ASN  33          2HD2      ASN  33  -4.433  -7.253   2.239
  239   2HD2  ASN  33          1HD2      ASN  33  -5.000  -6.242   3.524
  240    H    LYS  34           H        LYS  34  -2.265  -3.300   3.052
  241    HA   LYS  34           HA       LYS  34  -0.256  -1.900   1.546
  242   1HB   LYS  34          1HB       LYS  34   1.339  -3.264   2.932
  243   2HB   LYS  34          2HB       LYS  34   0.188  -2.243   3.841
  244   1HG   LYS  34          2HG       LYS  34  -0.264  -4.068   5.064
  245   2HG   LYS  34          1HG       LYS  34  -1.123  -4.700   3.630
  246   1HD   LYS  34          2HD       LYS  34   0.261  -6.430   3.849
  247   2HD   LYS  34          1HD       LYS  34   1.387  -5.393   3.015
  248   1HE   LYS  34          1HE       LYS  34   2.622  -6.192   4.773
  249   2HE   LYS  34          2HE       LYS  34   2.132  -4.559   5.302
  250   1HZ   LYS  34          2HZ       LYS  34   0.407  -5.546   6.456
  251   2HZ   LYS  34          3HZ       LYS  34   0.923  -7.051   6.000
  252   3HZ   LYS  34          1HZ       LYS  34   1.852  -6.108   6.945
  253    H    CYS  35           H        CYS  35  -1.593  -5.146   1.475
  254    HA   CYS  35           HA       CYS  35   0.339  -6.318  -0.160
  255   1HB   CYS  35          2HB       CYS  35  -1.619  -7.381   1.086
  256   2HB   CYS  35          1HB       CYS  35  -2.594  -6.979  -0.357
  257    H    ASN  36           H        ASN  36  -2.739  -4.776  -1.149
  258    HA   ASN  36           HA       ASN  36  -2.031  -5.221  -3.932
  259   1HB   ASN  36          2HB       ASN  36  -4.529  -4.177  -2.610
  260   2HB   ASN  36          1HB       ASN  36  -4.305  -4.296  -4.381
  261   1HD2  ASN  36          2HD2      ASN  36  -4.655  -7.716  -2.074
  262   2HD2  ASN  36          1HD2      ASN  36  -4.362  -6.171  -1.345
  263    H    PHE  37           H        PHE  37  -1.862  -2.643  -1.658
  264    HA   PHE  37           HA       PHE  37  -1.323  -0.540  -3.563
  265   1HB   PHE  37          1HB       PHE  37  -1.748   0.189  -1.343
  266   2HB   PHE  37          2HB       PHE  37  -0.560  -0.934  -0.638
  267    HD1  PHE  37           HD1      PHE  37  -0.719   1.798  -3.135
  268    HD2  PHE  37           HD2      PHE  37   1.486   0.062   0.071
  269    HE1  PHE  37           HE1      PHE  37   1.091   3.410  -3.533
  270    HE2  PHE  37           HE2      PHE  37   3.221   1.809  -0.173
  271    HZ   PHE  37           HZ       PHE  37   3.075   3.402  -2.068
  272    H    CYS  38           H        CYS  38   0.862  -2.589  -1.571
  273    HA   CYS  38           HA       CYS  38   3.116  -1.559  -2.894
  274   1HB   CYS  38          2HB       CYS  38   2.729  -3.874  -1.003
  275   2HB   CYS  38          1HB       CYS  38   4.323  -3.473  -1.700
  276    H    ASN  39           H        ASN  39   1.081  -4.255  -3.657
  277    HA   ASN  39           HA       ASN  39   2.873  -5.587  -5.472
  278   1HB   ASN  39          2HB       ASN  39   0.009  -5.728  -4.813
  279   2HB   ASN  39          1HB       ASN  39   0.441  -6.134  -6.499
  280   1HD2  ASN  39          2HD2      ASN  39   1.965  -8.430  -3.408
  281   2HD2  ASN  39          1HD2      ASN  39   1.904  -6.705  -3.258
  282    H    ALA  40           H        ALA  40   0.423  -3.025  -5.813
  283    HA   ALA  40           HA       ALA  40   0.728  -2.852  -8.649
  284   1HB   ALA  40          1HB       ALA  40  -0.824  -1.558  -6.539
  285   2HB   ALA  40          2HB       ALA  40  -0.346  -0.440  -7.841
  286   3HB   ALA  40          3HB       ALA  40  -1.250  -1.925  -8.229
  287    H    VAL  41           H        VAL  41   2.358  -1.369  -5.937
  288    HA   VAL  41           HA       VAL  41   3.827   0.544  -7.470
  289    HB   VAL  41           HB       VAL  41   4.470  -0.801  -4.835
  290   1HG1  VAL  41          1HG1      VAL  41   6.101   0.911  -6.436
  291   2HG1  VAL  41          2HG1      VAL  41   5.598   1.803  -4.980
  292   3HG1  VAL  41          3HG1      VAL  41   6.425   0.235  -4.822
  293   1HG2  VAL  41          3HG2      VAL  41   2.311   0.619  -5.155
  294   2HG2  VAL  41          1HG2      VAL  41   3.345   0.876  -3.730
  295   3HG2  VAL  41          2HG2      VAL  41   3.433   2.000  -5.108
  296    H    VAL  42           H        VAL  42   4.809  -2.648  -6.161
  297    HA   VAL  42           HA       VAL  42   7.282  -2.608  -7.469
  298    HB   VAL  42           HB       VAL  42   6.948  -3.853  -5.491
  299   1HG1  VAL  42          2HG1      VAL  42   4.516  -4.692  -6.584
  300   2HG1  VAL  42          3HG1      VAL  42   5.492  -6.173  -6.430
  301   3HG1  VAL  42          1HG1      VAL  42   5.209  -5.140  -5.007
  302   1HG2  VAL  42          3HG2      VAL  42   8.225  -4.883  -7.746
  303   2HG2  VAL  42          2HG2      VAL  42   8.509  -5.323  -6.046
  304   3HG2  VAL  42          1HG2      VAL  42   7.368  -6.268  -7.030
  305    H    GLU  43           H        GLU  43   4.165  -3.448  -8.678
  306    HA   GLU  43           HA       GLU  43   5.124  -4.981 -10.985
  307   1HB   GLU  43          1HB       GLU  43   2.980  -5.428 -10.143
  308   2HB   GLU  43          2HB       GLU  43   2.652  -3.805  -9.908
  309   1HG   GLU  43          1HG       GLU  43   1.283  -4.933 -11.631
  310   2HG   GLU  43          2HG       GLU  43   2.016  -3.336 -11.948
  311    H    SER  44           H        SER  44   4.583  -1.657 -10.028
  312    HA   SER  44           HA       SER  44   4.452  -0.766 -12.832
  313   1HB   SER  44          2HB       SER  44   3.535   1.233 -12.072
  314   2HB   SER  44          1HB       SER  44   2.799  -0.026 -11.040
  315    HG   SER  44           HG       SER  44   4.104   0.435  -9.346
  316    H    ASN  45           H        ASN  45   6.951  -1.706 -11.456
  317    HA   ASN  45           HA       ASN  45   9.155  -1.251 -11.732
  318   1HB   ASN  45          2HB       ASN  45   8.041   0.550 -13.883
  319   2HB   ASN  45          1HB       ASN  45   9.725  -0.035 -13.757
  320   1HD2  ASN  45          2HD2      ASN  45   7.340  -2.140 -15.980
  321   2HD2  ASN  45          1HD2      ASN  45   7.332  -0.429 -15.707
  322    H    GLY  46           H        GLY  46   8.210   0.018  -9.554
  323   1HA   GLY  46          1HA       GLY  46   8.562   1.768  -8.083
  324   2HA   GLY  46          2HA       GLY  46  10.071   1.969  -9.014
  325    H    THR  47           H        THR  47   6.772   2.380 -10.259
  326    HA   THR  47           HA       THR  47   7.336   5.248 -10.770
  327    HB   THR  47           HB       THR  47   5.280   5.206 -12.186
  328    HG1  THR  47           HG1      THR  47   4.287   3.554 -12.500
  329   1HG2  THR  47          3HG2      THR  47   7.479   3.259 -12.782
  330   2HG2  THR  47          1HG2      THR  47   6.065   3.349 -13.863
  331   3HG2  THR  47          2HG2      THR  47   7.065   4.797 -13.581
  332    H    LEU  48           H        LEU  48   4.952   3.051  -9.277
  333    HA   LEU  48           HA       LEU  48   3.393   5.299  -8.343
  334   1HB   LEU  48          1HB       LEU  48   2.223   3.502  -9.247
  335   2HB   LEU  48          2HB       LEU  48   3.181   2.295  -8.342
  336    HG   LEU  48           HG       LEU  48   2.041   3.303  -6.251
  337   1HD1  LEU  48          3HD1      LEU  48   0.136   4.165  -8.453
  338   2HD1  LEU  48          1HD1      LEU  48  -0.227   4.160  -6.709
  339   3HD1  LEU  48          2HD1      LEU  48   1.036   5.239  -7.353
  340   1HD2  LEU  48          3HD2      LEU  48   0.777   1.571  -8.379
  341   2HD2  LEU  48          1HD2      LEU  48   1.609   1.080  -6.883
  342   3HD2  LEU  48          2HD2      LEU  48  -0.002   1.837  -6.799
  343    H    THR  49           H        THR  49   3.142   6.066  -6.335
  344    HA   THR  49           HA       THR  49   4.700   4.827  -4.125
  345    HB   THR  49           HB       THR  49   5.859   6.885  -3.667
  346    HG1  THR  49           HG1      THR  49   4.444   7.810  -5.815
  347   1HG2  THR  49          3HG2      THR  49   6.588   5.414  -5.713
  348   2HG2  THR  49          2HG2      THR  49   6.204   6.889  -6.637
  349   3HG2  THR  49          1HG2      THR  49   7.410   6.948  -5.326
  350    H    LEU  50           H        LEU  50   4.329   5.904  -2.042
  351    HA   LEU  50           HA       LEU  50   1.469   5.957  -1.744
  352   1HB   LEU  50          1HB       LEU  50   3.154   4.520  -0.574
  353   2HB   LEU  50          2HB       LEU  50   3.693   5.967   0.320
  354    HG   LEU  50           HG       LEU  50   1.580   6.103   1.482
  355   1HD1  LEU  50          1HD1      LEU  50   0.766   3.994  -0.501
  356   2HD1  LEU  50          2HD1      LEU  50   0.010   4.056   1.111
  357   3HD1  LEU  50          3HD1      LEU  50  -0.101   5.460   0.021
  358   1HD2  LEU  50          3HD2      LEU  50   2.925   3.407   1.324
  359   2HD2  LEU  50          1HD2      LEU  50   3.095   4.682   2.559
  360   3HD2  LEU  50          2HD2      LEU  50   1.596   3.722   2.469
  361    H    SER  51           H        SER  51   0.208   7.634  -1.421
  362    HA   SER  51           HA       SER  51   1.419  10.303  -0.983
  363   1HB   SER  51          2HB       SER  51  -0.263  10.054  -2.780
  364   2HB   SER  51          1HB       SER  51  -1.472   9.584  -1.551
  365    HG   SER  51           HG       SER  51  -1.439  11.514  -0.583
  366    H    HIS  52           H        HIS  52  -0.826   7.930   0.410
  367    HA   HIS  52           HA       HIS  52   0.103   8.473   3.086
  368   1HB   HIS  52          2HB       HIS  52  -2.054   9.304   4.002
  369   2HB   HIS  52          1HB       HIS  52  -1.255  10.490   2.928
  370    HD1  HIS  52           HD1      HIS  52  -4.548   9.325   3.590
  371    HD2  HIS  52           HD2      HIS  52  -2.346   9.746   0.080
  372    HE1  HIS  52           HE1      HIS  52  -6.170   9.044   1.696
  373    HE2  HIS  52           HE2      HIS  52  -4.866   9.447  -0.423
  374    H    PHE  53           H        PHE  53  -0.911   7.149   4.654
  375    HA   PHE  53           HA       PHE  53  -2.207   4.695   3.773
  376   1HB   PHE  53          1HB       PHE  53  -2.054   5.942   6.555
  377   2HB   PHE  53          2HB       PHE  53  -2.688   4.318   6.163
  378    HD1  PHE  53           HD2      PHE  53   0.484   6.162   5.150
  379    HD2  PHE  53           HD1      PHE  53  -1.341   2.777   6.995
  380    HE1  PHE  53           HE2      PHE  53   2.711   5.340   5.876
  381    HE2  PHE  53           HE1      PHE  53   0.864   1.715   7.241
  382    HZ   PHE  53           HZ       PHE  53   2.897   3.040   6.789
  383    H    GLY  54           H        GLY  54  -4.389   4.223   4.910
  384   1HA   GLY  54          2HA       GLY  54  -6.670   4.545   4.770
  385   2HA   GLY  54          1HA       GLY  54  -6.392   6.286   5.038
  386    H    LYS  55           H        LYS  55  -8.298   6.010   3.383
  387    HA   LYS  55           HA       LYS  55  -7.243   5.833   0.609
  388   1HB   LYS  55          1HB       LYS  55  -9.845   6.077   0.181
  389   2HB   LYS  55          2HB       LYS  55  -9.075   4.504   0.539
  390   1HG   LYS  55          1HG       LYS  55 -11.096   4.641   1.827
  391   2HG   LYS  55          2HG       LYS  55  -9.724   4.832   2.953
  392   1HD   LYS  55          1HD       LYS  55 -10.415   7.404   2.051
  393   2HD   LYS  55          2HD       LYS  55 -11.922   6.614   2.426
  394   1HE   LYS  55          1HE       LYS  55 -11.566   6.750   4.605
  395   2HE   LYS  55          2HE       LYS  55  -9.912   6.096   4.458
  396   1HZ   LYS  55          3HZ       LYS  55 -10.627   8.766   3.770
  397   2HZ   LYS  55          1HZ       LYS  55 -10.173   8.325   5.268
  398   3HZ   LYS  55          2HZ       LYS  55  -9.134   8.106   4.038
  399    H    CYS  56           H        CYS  56  -8.058   7.388  -0.948
  400    HA   CYS  56           HA       CYS  56  -7.343   9.956  -0.159
  401   1HB   CYS  56          1HB       CYS  56  -8.744   8.904  -2.608
  402   2HB   CYS  56          2HB       CYS  56  -8.393  10.642  -2.396