*HEADER   SERINE PROTEINASE INHIBITOR             06-JUL-94   1TUS    
*COMPND   OVOMUCOID (REACTIVE-SITE HYDROLYZED THIRD DOMAIN)           
*COMPND  2 (NMR, 12 STRUCTURES)                                       
*SOURCE   TURKEY (MELEAGRIS GALLOPAVO)                                
*EXPDTA   NMR                                                         
*AUTHOR   W.F.WALKENHORST,A.M.KREZEL,G.I.RHYU,J.L.MARKLEY             
*REVDAT  2   15-JAN-95 1TUSA   1       SOURCE                         
*REVDAT  1   15-OCT-94 1TUS    0                                      

;DSPACE input for structure calculations of OMTKY3* 
;W. F. Walkenhorst  8/31/91  611 NOE's, 24 backbone dihedral angles, 14 
;hbonds, 26 stereospecifically assigned pairs of beta protons,7 pairs of 
;stereoassigned Leu,Val methyl groups and 3 stereospecifically assigned 
;pairs of Asn delta protons.
;Atoms defined using DSPACE nomenclature
;Atoms defined "nochiral" or "equivalent" were not able to be assigned 
;stereospecifically.  Methyl groups are labeled as mgr[23] for a pro-R 
;methyl group of Leu 23,  A 1 angstrom correction factor is added to 
;constraints involving methyl groups.  Equivalent groups have correction 
;factors also.  Commented lines (";") indicate "nochiral" and "equivalent" 
;or other options have been superceded.
;
define/equivalent hgs[10] hgr[10]                                              
define/equivalent hgs[13] hgr[13]                                              
define/equivalent hds[14] hdr[14]                                              
define/equivalent hbs[18] hbr[18]                                              
define/equivalent hbs[19] hbr[19]                                              
define/equivalent hgs[19] hgr[19]                                              
define/equivalent hds[21] hdr[21]                                              
define/equivalent hgs[22] hgr[22]                                              
define/equivalent hds[22] hdr[22]                                              
define/equivalent hds[29] hdr[29]                                              
define/equivalent hes[29] her[29]                                              
define/equivalent hbs[31] hbr[31]                                              
define/equivalent hds[34] hdr[34]                                              
define/equivalent hes[34] her[34]                                              
define/equivalent hbs[37] hbr[37]                                              
define/equivalent hgs[43] hgr[43]                                              
define/equivalent hds[55] hdr[55]                                              
define/equivalent hes[55] her[55]
;                                              
;initially, equivalence assigned 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]                                              
;
;Backbone coupling constraints 
;
define/bound hn[5] ha[5]   2.83  3.00	;beta  j = 8.0
define/bound hn[6] ha[6]   2.83  3.00	;beta  j = 9.6	
define/bound hn[8] ha[8]   2.91  3.00	;beta  j = 10.3
define/bound hn[11] ha[11]  2.83  3.00  ;beta  j = 9.9
define/bound hn[13] ha[13]  2.83  3.00  ;beta  j = 8.3 
define/bound hn[16] ha[16]  2.83  3.00  ;beta  j = 8.8
define/bound hn[17] ha[17]  2.83  3.00  ;beta  j = 8.1
define/bound hn[20] ha[20]  2.83  3.00  ;beta  j = 8.5
define/bound hn[21] ha[21]  2.83  3.00  ;beta  j = 9.5
define/bound hn[24] ha[24]  2.91  3.00  ;beta  j = 10.5
define/bound hn[26] ha[26]  2.83  3.00  ;beta  j = 8.2
define/bound hn[29] ha[29]  2.91  3.00  ;beta  j = 10.7
define/bound hn[31] ha[31]  2.91  3.00  ;beta  j = 11.7
define/bound hn[34] ha[34]  2.78  2.97  ;alpha  j = 6.1 
define/bound hn[36] ha[36]  2.78  2.97  ;alpha  j = 6.5
define/bound hn[37] ha[37]  2.78  2.97  ;alpha  j = 5.0
define/bound hn[38] ha[38]  2.78  2.97  ;alpha  j = 5.0
define/bound hn[41] ha[41]  2.78  2.97  ;alpha  j = 6.6
define/bound hn[47] ha[47]  2.83  3.00  ;beta  j = 9.2
define/bound hn[48] ha[48]  2.83  3.00  ;beta  j = 8.4
define/bound hn[50] ha[50]  2.83  3.00  ;beta  j = 8.4
define/bound hn[51] ha[51]  2.83  3.00  ;beta  j = 9.7
define/bound hn[53] ha[53]  2.83  3.00  ;beta  j = 8.0
define/bound hn[55] ha[55]  2.78  2.97  ;alpha  j = 5.8
;
;NOE-based distance constraints
;
define/bound ha[1] hn[2]   1.90  3.37
define/bound hbr[1] hn[2]   1.90  4.57
define/bound hn[2] hn[3]   1.90  4.86
define/bound ha[2] hn[3]   1.90  3.37
define/bound mb[3] hn[4]   1.90  4.81
define/bound mb[3] hn[5]   1.90  5.05
define/bound hn[3] mgr[4]   1.90  5.86
define/bound hn[3] hn[4]   1.90  4.57
define/bound ha[3] hn[4]   1.90  3.17
define/bound mgs[4] hn[4]   1.90  4.58
define/bound mgs[4] hn[53]   1.90  5.86
define/bound mgs[4] hd2[53]   1.90  5.30
define/bound mgs[4] he2[53]   1.90  5.86
define/bound mgr[4] hn[4]   1.90  4.58
define/bound mgr[4] hn[5]   1.90  5.30
define/bound mgr[4] ha[52]   1.90  5.57
define/bound mgr[4] he2[53]   1.90  5.86
define/bound hn[4] hb[4]   1.90  3.81
define/bound ha[4] hn[5]   1.90  3.17
define/bound hb[4] hn[5]   1.90  4.57
define/bound hn[5] hbs[5]   1.90  3.81
define/bound hn[5] hbr[5]   1.90  4.57
define/bound hn[5] mgs[6]   1.90  6.16
define/bound hn[5] hz[53]   1.90  4.57
define/bound ha[5] hn[6]   1.90  3.17
define/bound ha[5] mds[50]   1.90  5.57
define/bound hbs[5] hn[6]   1.90  3.58
define/bound hbs[5] mds[50]   1.90  5.57
define/bound mgr[6] hn[6]   1.90  4.58
define/bound mgr[6] hn[7]   1.90  5.30
define/bound mgr[6] hbs[7]   1.90  6.16
define/bound mgr[6] mds[23]   1.90  6.05
define/bound mgr[6] mdr[23]   1.90  6.86
define/bound mgr[6] hdr[34]   1.90  5.57
define/bound mgr[6] hd2[37]   1.90  5.05
define/bound mgr[6] he2[37]   1.90  5.05
define/bound mgr[6] hz[37]   1.90  6.16
define/bound mgr[6] mdr[50]   1.90  6.57
define/bound mgr[6] he1[53]   1.90  5.05
define/bound mgs[6] hn[6]   1.90  5.30
define/bound mgs[6] hn[7]   1.90  5.30
define/bound mgs[6] hdr[34]   1.90  5.05
define/bound mgs[6] hd2[37]   1.90  4.81
define/bound mgs[6] he2[37]   1.90  5.05
define/bound mgs[6] hz[37]   1.90  5.86
define/bound mgs[6] mds[50]   1.90  6.05
define/bound mgs[6] he1[53]   1.90  5.30
define/bound hn[6] hb[6]   1.90  3.81
define/bound hn[6] hn[7]   1.90  4.30
define/bound hn[6] mds[50]   1.90  5.86
define/bound ha[6] hn[7]   1.90  3.58
define/bound ha[6] hbr[7]   1.90  4.86
define/bound ha[6] hbs[7]   1.90  4.30
define/bound ha[6] mds[50]   1.90  5.86
define/bound hb[6] hn[7]   1.90  4.30
define/bound hb[6] hd2[37]   1.90  4.57
define/bound hb[6] he2[37]   1.90  4.05
define/bound hb[6] mds[50]   1.90  5.86
define/bound hn[7] hbr[7]   1.90  3.81
define/bound hn[7] hbs[7]   1.90  3.58
define/bound ha[7] hn[8]   1.90  4.05
define/bound hbr[7] hn[8]   1.90  5.50
define/bound hbs[7] hn[8]   1.90  5.50
define/bound hbs[7] hn[9]   1.90  4.86
define/bound hn[8] hbs[8]   1.90  3.81
define/bound hn[8] hbr[8]   1.90  4.30
define/bound hn[8] hn[9]   1.90  3.81
define/bound hn[8] hbs[9]   1.90  5.50
define/bound hn[8] hd2[11]   1.90  4.57
define/bound ha[8] hn[9]   1.90  4.05
define/bound ha[8] hn[10]   1.90  5.16
define/bound ha[8] hn[11]   1.90  4.30
define/bound ha[8] hbr[11]   1.90  5.50
define/bound ha[8] hbs[11]   1.90  5.50
define/bound ha[8] hd2[11]   1.90  3.37
define/bound ha[8] he2[11]   1.90  4.30
define/bound ha[8] her[34]   1.90  5.16
define/bound ha[8] hbs[38]   1.90  5.50
define/bound ha[8] hbr[38]   1.90  5.16
define/bound hbs[8] hn[11]   1.90  5.16
define/bound hbs[8] hd2[11]   1.90  4.30
define/bound hbs[8] he2[11]   1.90  4.57
define/bound hbs[8] hbs[38]   1.90  4.57
define/bound hbs[8] mgr[41]   1.90  5.86
define/bound hbs[8] mgr[42]   1.90  5.57
define/bound hbr[8] hd2[11]   1.90  4.86
define/bound hbr[8] he2[11]   1.90  4.86
define/bound hbr[8] hbs[38]   1.90  4.86
define/bound hbr[8] hbr[38]   1.90  4.57
define/bound hbr[8] mgs[41]   1.90  5.86
define/bound hbr[8] mgr[41]   1.90  5.86
define/bound hn[9] hbs[9]   1.90  4.05
define/bound hn[9] hbr[9]   1.90  3.81
define/bound hn[9] hbr[10]   1.90  4.86
define/bound hn[9] hn[11]   1.90  4.86
define/bound hn[9] hd2[11]   1.90  4.86
define/bound ha[9] hn[10]   1.90  3.81
define/bound ha[9] hd2[11]   1.90  4.57
define/bound hbr[9] hn[10]   1.90  5.16
define/bound hn[10] hbr[10]   1.90  3.81
define/bound hn[10] hbs[10]   1.90  4.05
define/bound hbs[10] hd2[11]   1.90  4.05
define/bound hn[10] hgr[10]   1.90  3.81
define/bound hn[10] hn[11]   1.90  3.81
define/bound hn[10] hd2[11]   1.90  3.58
define/bound hn[10] mgs[42]   1.90  6.50
define/bound hn[10] mgr[42]   1.90  5.30
define/bound ha[10] hn[11]   1.90  4.05
define/bound hbr[10] hn[11]   1.90  4.57
define/bound hbs[10] hn[11]   1.90  4.57
define/bound hgr[10] hn[11]   1.90  5.16
define/bound hn[11] hbr[11]   1.90  4.30
define/bound hn[11] hbs[11]   1.90  4.30
define/bound hn[11] hd2[11]   1.90  3.58
define/bound hn[11] ha[12]   1.90  4.86
define/bound hn[11] mgr[42]   1.90  5.86
define/bound ha[11] hd1[11]   1.90  3.81
define/bound ha[11] ha[12]   1.90  3.58
define/bound ha[11] hn[13]   1.90  4.05
define/bound hbr[11] hd2[11]   1.90  3.58
define/bound hbr[11] ha[12]   1.90  4.05
define/bound hbr[11] hn[13]   1.90  4.86
define/bound hbr[11] mgr[42]   1.90  5.30
define/bound hbs[11] hd1[11]   1.90  3.58
define/bound hbs[11] ha[12]   1.90  3.81
define/bound hbs[11] mgr[42]   1.90  5.30
define/bound hd1[11] ha[12]   1.90  3.81
define/bound hd1[11] hn[13]   1.90  3.58
define/bound hd1[11] hbr[13]   1.90  4.57
define/bound hd1[11] hbs[13]   1.90  5.16
define/bound hd1[11] hgr[13]   1.90  4.57
define/bound hd1[11] hdr[13]   1.90  4.86
define/bound hd1[11] hbr[12]   1.90  4.86
define/bound hd2[11] hbs[38]   1.90  4.05
define/bound hd1[11] hbr[38]   1.90  3.81
define/bound hd1[11] hn[39]   1.90  4.57
define/bound hd1[11] mgr[42]   1.90  5.57
define/bound he1[11] hn[13]   1.90  4.57
define/bound he1[11] hbs[13]   1.90  4.86
define/bound he1[11] hgr[13]   1.90  4.86
define/bound he1[11] hdr[13]   1.90  4.05
define/bound he1[11] hds[13]   1.90  4.05
define/bound he2[11] her[34]   1.90  4.86
define/bound he1[11] hn[35]   1.90  5.16
define/bound he1[11] ha[35]   1.90  3.37
define/bound he1[11] hbr[35]   1.90  4.57
define/bound he1[11] hn[38]   1.90  4.86
define/bound he1[11] hbr[38]   1.90  4.86
define/bound he2[11] hbs[38]   1.90  4.86
define/bound ha[12] hn[13]   1.90  3.37
define/bound ha[12] mgr[42]   1.90  5.57
define/bound hbr[12] hn[13]   1.90  4.30
define/bound hbs[12] hn[13]   1.90  4.57
define/bound hbs[12] mgr[42]   1.90  6.16
define/bound hgs[12] mgs[42]   1.90  5.30
define/bound hgs[12] mgr[42]   1.90  5.57
define/bound hdr[12] mgs[42]   1.90  5.30
define/bound hdr[12] mgr[42]   1.90  5.30
define/bound hds[12] mgs[42]   1.90  5.57
define/bound hds[12] mgr[42]   1.90  5.57
define/bound hn[13] hbr[13]   1.90  4.05
define/bound hn[13] hbs[13]   1.90  4.57
define/bound hn[13] hgr[13]   1.90  5.16
define/bound hn[13] hdr[14]   1.90  5.16
define/bound hn[13] hd2z[39]   1.90  4.30
define/bound hn[13] hd2e[39]   1.90  4.86
define/bound hn[13] mgs[42]   1.90  6.16
define/bound ha[13] hdr[13]   1.90  4.86
define/bound ha[13] hdr[14]   1.90  3.58
define/bound ha[13] hn[15]   1.90  4.86
define/bound hbr[13] hdr[14]   1.90  4.30
define/bound hbr[13] hn[15]   1.90  4.57
define/bound hbs[13] hdr[14]   1.90  4.05
define/bound hgr[13] hdr[14]   1.90  4.86
define/bound ha[14] mb[15]   1.90  5.86
define/bound ha[14] hn[15]   1.90  3.81
define/bound hbr[14] hn[15]   1.90  4.57
define/bound hbs[14] hn[15]   1.90  4.57
define/bound hgr[14] hn[15]   1.90  4.57
define/bound hgs[14] hn[15]   1.90  4.30
define/bound hds[14] hn[15]   1.90  4.30
define/bound mb[15] hn[16]   1.90  4.58
define/bound hn[15] hn[16]   1.90  4.30
define/bound ha[15] hn[16]   1.90  3.17
define/bound ha[15] hbs[16]   1.90  4.86
define/bound hn[16] hbs[16]   1.90  3.81
define/bound hn[16] hbr[16]   1.90  3.81
define/bound ha[16] hn[17]   1.90  3.37
define/bound ha[16] ha[17]   1.90  5.16
define/bound hbs[16] hn[17]   1.90  4.57
define/bound hbs[16] hd2e[33]   1.90  5.16
define/bound hbr[16] hn[17]   1.90  5.16
define/bound hbr[16] hd2z[33]   1.90  4.57
define/bound hbr[16] hd2e[36]   1.90  4.57
define/bound mg2[17] hn[17]   1.90  5.05
define/bound mg2[17] hn[18]   1.90  5.30
define/bound hn[17] hb[17]   1.90  3.81
;define/bound hn[17] hn[19]   1.90  4.86
define/bound hn[17] hd2z[33]   1.90  5.16
define/bound hn[17] hd2e[33]   1.90  4.86
define/bound ha[17] hn[18]   1.90  3.17
define/bound hb[17] hn[18]   1.90  4.57
define/bound hn[18] hbr[18]   1.90  3.58
define/bound ha[18] hd2z[33]   1.90  5.16
define/bound ha[18] hd2e[33]   1.90  5.16
;define/bound hn[19] hn[35]   1.90  4.86
define/bound ha[19] hn[20]   1.90  2.99
define/bound hbr[19] hn[20]   1.90  4.05
define/bound hgr[19] hn[20]   1.90  4.86
define/bound hn[20] hbr[20]   1.90  3.81
define/bound hn[20] hbs[20]   1.90  3.81
define/bound hn[20] hd1[20]   1.90  4.57
define/bound ha[20] hd2[20]   1.90  3.37
define/bound ha[20] hn[21]   1.90  3.17
define/bound hbr[20] hd2[20]   1.90  3.17
define/bound hbs[20] hd1[20]   1.90  3.17
define/bound hbs[20] hn[21]   1.90  4.86
define/bound hbs[20] hbs[21]   1.90  4.57
define/bound hd1[20] hn[21]   1.90  4.30
define/bound hd1[20] hbs[22]   1.90  4.86
define/bound hd1[20] hgr[22]   1.90  4.57
define/bound hd2[20] har[32]   1.90  4.86
define/bound hd2[20] has[32]   1.90  5.16
define/bound he1[20] hbr[22]   1.90  4.30
define/bound he1[20] hbs[22]   1.90  4.57
define/bound he1[20] hgr[22]   1.90  4.57
define/bound he1[20] hbr[21]   1.90  4.86
define/bound he1[20] hbs[21]   1.90  4.57
define/bound hd1[20] hbs[21]   1.90  4.86
define/bound he1[20] hdr[22]   1.90  4.86
define/bound he2[20] mg2[30]   1.90  6.50
define/bound he2[20] har[32]   1.90  4.57
define/bound he2[20] has[32]   1.90  4.86
define/bound hn[21] hbr[21]   1.90  4.30
define/bound hn[21] hbs[21]   1.90  4.30
define/bound hn[21] hgr[21]   1.90  4.57
define/bound hn[21] hdr[22]   1.90  4.30
define/bound ha[21] hgs[22]   1.90  4.05
define/bound ha[21] hdr[22]   1.90  3.37
define/bound hbr[21] hds[22]   1.90  4.30
define/bound hbs[21] hgs[22]   1.90  4.86
define/bound hbs[21] hds[22]   1.90  4.57
define/bound ha[22] mdr[23]   1.90  5.57
define/bound ha[22] hn[23]   1.90  3.58
define/bound hbr[22] hn[23]   1.90  4.30
define/bound hbr[22] ha[55]   1.90  4.57
define/bound hbs[22] hn[23]   1.90  4.57
define/bound mds[23] hn[23]   1.90  6.16
define/bound mds[23] hn[24]   1.90  5.57
define/bound mds[23] hn[34]   1.90  6.16
define/bound mds[23] ha[34]   1.90  5.30
define/bound mds[23] hbr[37]   1.90  5.05
define/bound mds[23] hd2[37]   1.90  5.30
define/bound mds[23] mdr[50]   1.90  5.81
define/bound mds[23] hn[53]   1.90  5.86
define/bound mds[23] ha[53]   1.90  5.05
define/bound mds[23] hd1[53]   1.90  4.58
define/bound mds[23] he1[53]   1.90  4.58
define/bound mds[23] hn[54]   1.90  5.86
define/bound mdr[23] hn[23]   1.90  5.30
define/bound mdr[23] hn[24]   1.90  5.05
define/bound mdr[23] hbr[31]   1.90  5.30
define/bound mdr[23] hn[33]   1.90  5.57
define/bound mdr[23] hn[34]   1.90  5.30
define/bound mdr[23] ha[34]   1.90  4.37
define/bound mdr[23] hbs[34]   1.90  6.16
define/bound mdr[23] hbr[34]   1.90  5.57
define/bound mdr[23] ha[37]   1.90  5.57
define/bound mdr[23] hbr[37]   1.90  4.81
define/bound mdr[23] hd2[37]   1.90  5.05
define/bound mdr[23] hn[38]   1.90  6.16
define/bound mdr[23] mdr[50]   1.90  6.86
define/bound mdr[23] hd1[53]   1.90  5.30
define/bound mdr[23] he1[53]   1.90  5.86
define/bound hn[23] hbs[23]   1.90  4.57
define/bound hn[23] hbr[23]   1.90  4.05
define/bound hn[23] hg[23]   1.90  4.30
define/bound hn[23] mg2[30]   1.90  5.30
define/bound hn[23] hn[31]   1.90  4.30
define/bound hn[23] hd1[31]   1.90  5.50
define/bound ha[23] hn[24]   1.90  3.37
define/bound ha[23] ha[24]   1.90  5.16
define/bound hn[23] mdr[50]   1.90  6.16
define/bound ha[23] mdr[50]   1.90  5.05
define/bound ha[23] hn[54]   1.90  3.81
define/bound hbs[23] hn[24]   1.90  4.30
define/bound hbs[23] hbs[31]   1.90  4.57
define/bound hbs[23] hbr[37]   1.90  4.57
define/bound hbs[23] mdr[50]   1.90  4.81
define/bound hbr[23] hn[24]   1.90  4.57
define/bound hbr[23] hbs[31]   1.90  4.30
define/bound hbr[23] hd1[37]   1.90  4.57
define/bound hbr[23] mdr[50]   1.90  5.86
define/bound hg[23] mdr[50]   1.90  5.86
define/bound hg[23] hd1[53]   1.90  4.57
define/bound hn[24] hbs[24]   1.90  3.58
define/bound hn[24] hbr[24]   1.90  4.05
define/bound hn[24] hn[25]   1.90  5.16
define/bound hn[24] hd1[31]   1.90  5.16
define/bound hn[24] mdr[50]   1.90  5.05
define/bound hn[24] ha[53]   1.90  4.30
define/bound hn[24] hn[52]   1.90  4.30
define/bound ha[24] hn[25]   1.90  3.37
define/bound ha[24] har[25]   1.90  5.16
define/bound ha[24] mg2[30]   1.90  5.86
define/bound ha[24] ha[30]   1.90  3.58
define/bound ha[24] hn[31]   1.90  4.86
define/bound ha[24] hd1[31]   1.90  5.16
define/bound ha[24] hn[52]   1.90  5.16
define/bound ha[24] ha[55]   1.90  5.16
define/bound ha[24] hn[56]   1.90  4.86
define/bound ha[24] ha[56]   1.90  4.57
define/bound hbs[24] hbr[51]   1.90  4.30
define/bound hbs[24] hd2[52]   1.90  4.05
define/bound hbs[24] he1[52]   1.90  4.30
define/bound hbs[24] ha[55]   1.90  5.16
define/bound hbs[24] hn[56]   1.90  4.86
define/bound hbr[24] hn[25]   1.90  4.86
define/bound hbr[24] hn[52]   1.90  4.05
define/bound hbr[24] hd2[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 hn[25] hn[27]   1.90  5.50
define/bound hn[25] hn[29]   1.90  4.57
define/bound hn[25] hn[31]   1.90  5.16
define/bound hn[25] hbr[31]   1.90  5.50
define/bound hn[25] hd1[31]   1.90  4.57
define/bound hn[25] he1[37]   1.90  5.16
define/bound hn[25] mdr[48]   1.90  6.16
define/bound har[25] hn[26]   1.90  4.86
define/bound har[25] hn[27]   1.90  3.81
define/bound har[25] he1[37]   1.90  4.57
define/bound har[25] mdr[48]   1.90  5.30
define/bound has[25] hd1[37]   1.90  4.86
define/bound has[25] he1[37]   1.90  4.57
define/bound has[25] mdr[48]   1.90  5.30
define/bound hn[26] hbr[26]   1.90  4.05
define/bound hn[26] hbs[26]   1.90  4.30
define/bound hn[26] hn[27]   1.90  3.81
define/bound hn[26] hn[28]   1.90  5.16
define/bound hn[26] hd1[37]   1.90  5.16
define/bound hn[26] he1[37]   1.90  4.57
define/bound hn[26] mds[48]   1.90  6.16
define/bound hn[26] mdr[48]   1.90  4.58
define/bound hn[26] hg[48]   1.90  4.57
define/bound hn[26] hn[49]   1.90  4.57
define/bound hn[26] hn[51]   1.90  5.16
define/bound hn[26] hbs[51]   1.90  5.16
define/bound ha[26] hn[27]   1.90  4.30
define/bound ha[26] hn[28]   1.90  4.30
define/bound ha[26] hbs[51]   1.90  4.05
define/bound ha[26] hbr[51]   1.90  4.86
define/bound hn[27] hbr[27]   1.90  4.05
define/bound hn[27] hbs[27]   1.90  4.30
define/bound hn[27] hn[28]   1.90  3.58
define/bound hn[27] hd2e[28]   1.90  4.57
define/bound hn[27] hn[29]   1.90  4.05
define/bound hn[27] hgs[29]   1.90  3.81
define/bound hn[27] mds[48]   1.90  6.16
define/bound hn[27] mdr[48]   1.90  4.37
define/bound hbr[27] mdr[48]   1.90  5.30
define/bound hbs[27] hn[28]   1.90  4.57
define/bound hbs[27] hn[29]   1.90  5.50
define/bound hbs[27] mds[48]   1.90  6.50
define/bound hbs[27] mdr[48]   1.90  5.57
define/bound hn[28] hbr[28]   1.90  4.05
define/bound hn[28] hbs[28]   1.90  4.05
define/bound hn[28] hn[29]   1.90  3.37
define/bound hbr[28] hd2e[28]   1.90  4.86
define/bound hbr[28] hd2z[28]   1.90  4.57
define/bound hbr[28] hn[29]   1.90  5.50
define/bound hbs[28] hd2e[28]   1.90  4.05
define/bound hbs[28] hd2z[28]   1.90  4.30
define/bound hbs[28] hn[29]   1.90  5.50
define/bound hn[29] hbr[29]   1.90  4.05
define/bound hn[29] hbs[29]   1.90  3.81
define/bound hn[29] hgr[29]   1.90  4.86
define/bound hn[29] hgs[29]   1.90  4.57
define/bound hn[29] hn[30]   1.90  4.57
define/bound ha[29] hn[30]   1.90  4.05
define/bound hbr[29] hn[30]   1.90  4.86
define/bound hbs[29] hn[30]   1.90  4.05
define/bound mg2[30] hn[30]   1.90  5.30
define/bound mg2[30] hn[31]   1.90  4.81
define/bound mg2[30] hn[55]   1.90  5.57
define/bound mg2[30] ha[55]   1.90  4.17
define/bound mg2[30] hn[56]   1.90  4.58
define/bound hn[30] hb[30]   1.90  3.58
define/bound hn[30] hn[31]   1.90  5.16
define/bound ha[30] hn[31]   1.90  4.30
define/bound hb[30] hn[31]   1.90  5.50
define/bound hn[31] hbr[31]   1.90  3.81
define/bound hn[31] hd1[31]   1.90  4.05
define/bound hn[31] hn[32]   1.90  5.16
define/bound hn[31] hd1[37]   1.90  5.50
define/bound ha[31] hd2[31]   1.90  4.30
define/bound ha[31] hn[32]   1.90  3.37
define/bound ha[31] hn[33]   1.90  4.86
define/bound hbr[31] hd1[31]   1.90  3.81
define/bound hbr[31] hn[32]   1.90  4.57
define/bound hbr[31] hn[33]   1.90  4.30
define/bound hbr[31] ha[37]   1.90  4.57
define/bound hbr[31] hd1[37]   1.90  4.05
define/bound hd2[31] hn[32]   1.90  4.86
define/bound hd1[31] hbr[37]   1.90  4.86
define/bound hd1[31] hd1[37]   1.90  4.05
define/bound hd1[31] mds[48]   1.90  5.86
define/bound hd1[31] mdr[48]   1.90  5.57
define/bound hd2[31] hbs[36]   1.90  4.30
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  5.05
define/bound he1[31] he1[37]   1.90  3.58
define/bound hn[32] hn[33]   1.90  3.81
define/bound hn[32] hbs[36]   1.90  4.57
define/bound hn[32] hbr[36]   1.90  5.16
define/bound har[32] hn[33]   1.90  4.57
define/bound has[32] hn[33]   1.90  4.30
define/bound hn[33] hd2z[33]   1.90  4.30
define/bound hn[33] hn[34]   1.90  5.16
define/bound hn[33] hn[36]   1.90  4.57
define/bound hn[33] hbs[36]   1.90  3.81
define/bound hn[33] hbr[36]   1.90  4.30
define/bound hn[33] hn[37]   1.90  4.30
define/bound hn[33] hbr[37]   1.90  4.86
define/bound hbr[33] hd2z[33]   1.90  4.57
define/bound hbr[33] hd2e[33]   1.90  4.30
define/bound hbr[33] hn[34]   1.90  3.58
define/bound hbr[33] hn[35]   1.90  4.86
define/bound hbs[33] hd2z[33]   1.90  4.30
define/bound hbs[33] hd2e[33]   1.90  3.81
define/bound hbs[33] hn[34]   1.90  4.30
define/bound hd2z[33] hn[35]   1.90  4.86
define/bound hd2e[33] hn[34]   1.90  4.86
define/bound hd2e[33] hn[35]   1.90  4.86
define/bound hn[34] hbs[34]   1.90  3.81
define/bound hn[34] hbr[34]   1.90  3.81
define/bound hn[34] hgr[34]   1.90  4.86
define/bound hn[34] hn[35]   1.90  3.81
define/bound ha[34] hn[35]   1.90  4.57
define/bound ha[34] hn[36]   1.90  4.86
define/bound ha[34] hn[37]   1.90  4.05
define/bound ha[34] ha[37]   1.90  5.16
define/bound ha[34] hbr[37]   1.90  3.58
define/bound ha[34] hd2[37]   1.90  4.05
define/bound ha[34] hn[38]   1.90  4.57
define/bound hbs[34] hn[35]   1.90  4.05
define/bound hbr[34] hn[35]   1.90  4.57
define/bound hn[35] hbs[35]   1.90  3.58
define/bound hn[35] hbr[35]   1.90  3.37
define/bound hn[35] hn[36]   1.90  3.58
define/bound hn[35] hbs[36]   1.90  5.16
define/bound ha[35] hn[36]   1.90  4.05
define/bound ha[35] hbs[38]   1.90  4.86
define/bound hbs[35] hn[36]   1.90  3.81
define/bound hbr[35] hn[36]   1.90  3.81
define/bound hn[36] hbs[36]   1.90  3.58
define/bound hn[36] hbr[36]   1.90  4.05
define/bound hn[36] hn[37]   1.90  3.58
define/bound hn[36] hbr[37]   1.90  5.16
define/bound hn[36] hd2e[39]   1.90  4.86
define/bound ha[36] hn[37]   1.90  4.05
define/bound ha[36] hn[39]   1.90  4.57
define/bound ha[36] hd2e[39]   1.90  4.30
define/bound hbs[36] hn[37]   1.90  3.81
define/bound hbr[36] hn[37]   1.90  4.05
define/bound hn[37] hbr[37]   1.90  3.58
define/bound hn[37] hd2[37]   1.90  4.57
define/bound hn[37] hn[38]   1.90  3.58
define/bound ha[37] hd1[37]   1.90  3.37
define/bound ha[37] hn[38]   1.90  4.57
define/bound ha[37] mb[40]   1.90  4.81
define/bound ha[37] hn[41]   1.90  5.16
define/bound ha[37] mds[48]   1.90  5.57
define/bound hbr[37] hd1[37]   1.90  3.17
define/bound hgs[34] hd2[37]   1.90  5.16
define/bound hbr[37] hn[38]   1.90  3.58
define/bound hbr[37] hbs[38]   1.90  4.57
define/bound hbr[37] mb[40]   1.90  5.57
define/bound hd1[37] mb[40]   1.90  6.16
define/bound hd1[37] mds[48]   1.90  5.30
define/bound hd1[37] mdr[48]   1.90  6.16
define/bound hd1[37] mdr[50]   1.90  5.57
define/bound hd2[37] hn[38]   1.90  3.81
define/bound hd2[37] ha[38]   1.90  4.30
define/bound hd2[37] mgs[41]   1.90  4.81
define/bound he1[37] mb[40]   1.90  5.86
define/bound he1[37] mds[48]   1.90  5.05
define/bound he1[37] mdr[48]   1.90  5.05
define/bound he1[37] hg[48]   1.90  4.57
define/bound he1[37] mdr[50]   1.90  5.30
define/bound he1[37] hn[50]   1.90  4.86
define/bound he1[37] ha[50]   1.90  4.05
define/bound he1[37] hbr[50]   1.90  4.30
define/bound he1[37] hbs[50]   1.90  4.86
define/bound he1[37] hn[51]   1.90  4.05
define/bound he2[37] hn[38]   1.90  5.16
define/bound he2[37] mgs[41]   1.90  4.37
define/bound hz[37] mgs[41]   1.90  4.81
define/bound hz[37] mds[48]   1.90  5.86
define/bound hz[37] mdr[48]   1.90  5.86
define/bound hz[37] hg[48]   1.90  4.86
define/bound hz[37] ha[49]   1.90  4.05
define/bound hz[37] mdr[50]   1.90  5.57
define/bound hz[37] hn[50]   1.90  4.05
define/bound hz[37] ha[50]   1.90  4.05
define/bound hz[37] hbr[50]   1.90  4.05
define/bound hz[37] hbs[50]   1.90  4.86
define/bound hz[37] hn[51]   1.90  5.16
define/bound hn[38] hbs[38]   1.90  3.58
define/bound hn[38] hbr[38]   1.90  4.30
define/bound hn[38] hn[39]   1.90  3.37
define/bound hn[38] mb[40]   1.90  5.86
define/bound ha[38] mgs[41]   1.90  4.58
define/bound ha[38] mgr[41]   1.90  5.86
define/bound ha[38] hn[41]   1.90  3.81
define/bound ha[38] hb[41]   1.90  3.58
define/bound ha[38] hn[42]   1.90  4.30
define/bound hbs[38] hn[39]   1.90  4.57
define/bound hbr[38] hn[39]   1.90  4.30
define/bound hn[39] hbr[39]   1.90  3.58
define/bound hn[39] hbs[39]   1.90  3.58
define/bound hn[39] hd2z[39]   1.90  4.57
define/bound hn[39] hd2e[39]   1.90  4.57
define/bound hn[39] hn[40]   1.90  3.37
define/bound hn[39] ha[40]   1.90  4.86
define/bound hn[39] hn[41]   1.90  4.30
define/bound hn[39] hb[41]   1.90  4.86
define/bound hn[39] mgs[42]   1.90  5.86
define/bound ha[39] mgs[42]   1.90  5.86
define/bound ha[39] mgr[42]   1.90  5.05
define/bound ha[39] hn[42]   1.90  4.86
define/bound ha[39] hb[42]   1.90  4.86
define/bound hbr[39] hd2z[39]   1.90  3.81
define/bound hbr[39] hd2e[39]   1.90  3.81
define/bound hbr[39] hn[40]   1.90  4.30
define/bound hbs[39] hd2z[39]   1.90  4.30
define/bound hbs[39] hd2e[39]   1.90  3.81
define/bound hbs[39] hn[40]   1.90  4.30
define/bound mb[40] hn[41]   1.90  4.58
define/bound mb[40] mds[48]   1.90  5.17
define/bound hn[40] hn[41]   1.90  3.37
define/bound hn[40] hn[43]   1.90  4.86
define/bound hn[40] mds[48]   1.90  6.16
define/bound hn[40] mdr[48]   1.90  6.16
define/bound ha[40] hn[41]   1.90  4.57
define/bound ha[40] hn[43]   1.90  4.05
define/bound ha[40] hbr[43]   1.90  3.81
define/bound ha[40] hbs[43]   1.90  4.30
define/bound ha[40] hgr[43]   1.90  4.86
define/bound ha[40] mds[48]   1.90  6.50
define/bound ha[40] mdr[48]   1.90  5.86
define/bound mgs[41] hn[41]   1.90  4.17
define/bound mgs[41] hn[42]   1.90  5.30
define/bound mgs[41] mds[48]   1.90  5.81
define/bound mgs[41] mdr[48]   1.90  6.30
define/bound mgs[41] hn[48]   1.90  5.86
define/bound mgs[41] hbs[48]   1.90  5.86
define/bound mgs[41] ha[49]   1.90  5.86
define/bound mgr[41] hn[41]   1.90  5.30
define/bound mgr[41] hn[42]   1.90  5.05
define/bound mgr[41] ha[42]   1.90  5.57
define/bound mgr[41] hn[44]   1.90  6.16
define/bound mgr[41] hbs[44]   1.90  6.16
define/bound mgr[41] hn[46]   1.90  5.57
define/bound mgr[41] har[46]   1.90  5.05
define/bound mgr[41] hn[47]   1.90  6.16
define/bound mgr[41] hn[48]   1.90  5.86
define/bound mgr[41] hn[49]   1.90  6.16
define/bound hn[41] hb[41]   1.90  3.37
define/bound hn[41] mgr[42]   1.90  5.57
define/bound hn[41] hn[42]   1.90  3.58
define/bound hn[41] ha[42]   1.90  5.16
define/bound hn[41] mds[48]   1.90  5.05
define/bound hn[41] mdr[48]   1.90  5.86
define/bound ha[41] hn[42]   1.90  5.16
define/bound ha[41] hn[44]   1.90  4.86
define/bound ha[41] mds[48]   1.90  4.81
define/bound ha[41] mdr[48]   1.90  5.86
define/bound ha[41] hn[48]   1.90  4.86
define/bound ha[41] hbr[48]   1.90  4.57
define/bound ha[41] hbs[48]   1.90  4.05
define/bound hb[41] mgr[42]   1.90  5.30
define/bound hb[41] hn[42]   1.90  3.58
define/bound mgs[42] hn[42]   1.90  4.58
define/bound mgs[42] hn[43]   1.90  5.05
define/bound mgs[42] hn[45]   1.90  6.16
define/bound mgr[42] hn[42]   1.90  4.17
define/bound mgr[42] hn[43]   1.90  5.30
define/bound hn[42] hb[42]   1.90  3.58
define/bound hn[42] hn[43]   1.90  3.58
define/bound ha[42] hn[43]   1.90  4.30
define/bound ha[42] hn[45]   1.90  4.86
define/bound ha[42] hn[46]   1.90  4.57
define/bound hb[42] hn[43]   1.90  3.81
define/bound hn[43] hbr[43]   1.90  3.58
define/bound hn[43] hbs[43]   1.90  3.81
define/bound hn[43] hgr[43]   1.90  3.81
define/bound ha[43] hn[45]   1.90  4.57
define/bound hn[44] hbr[44]   1.90  4.05
define/bound hn[44] hbs[44]   1.90  4.30
define/bound hn[44] hn[45]   1.90  3.58
define/bound hn[44] mds[48]   1.90  6.16
define/bound hbr[44] hn[47]   1.90  5.16
define/bound hbr[44] mds[48]   1.90  5.86
define/bound hbr[44] mdr[48]   1.90  5.57
define/bound hbr[44] hn[48]   1.90  4.57
define/bound hbr[44] hbr[48]   1.90  4.57
define/bound hbr[44] hbs[48]   1.90  4.86
define/bound hbs[44] mds[48]   1.90  5.86
define/bound hn[45] hbr[45]   1.90  4.30
define/bound hn[45] hbs[45]   1.90  4.30
define/bound hn[45] hn[46]   1.90  3.58
define/bound hn[45] har[46]   1.90  5.16
define/bound hn[45] has[46]   1.90  5.16
define/bound ha[45] hn[46]   1.90  3.81
define/bound hbr[45] hd2e[45]   1.90  4.30
define/bound hbs[45] hd2e[45]   1.90  4.86
define/bound hn[46] hn[47]   1.90  3.81
define/bound hn[46] hn[48]   1.90  4.57
define/bound har[46] hn[47]   1.90  4.57
define/bound has[46] hn[47]   1.90  4.57
define/bound mg2[47] hn[47]   1.90  4.58
define/bound mg2[47] mds[48]   1.90  6.86
define/bound hn[47] hn[48]   1.90  3.58
define/bound mds[48] hn[48]   1.90  5.30
define/bound mds[48] ha[49]   1.90  6.16
define/bound mdr[48] hn[48]   1.90  5.30
define/bound mdr[48] ha[48]   1.90  4.58
define/bound mdr[48] hn[49]   1.90  4.58
define/bound hn[48] hbr[48]   1.90  3.81
define/bound hn[48] hbs[48]   1.90  3.81
define/bound hn[48] hn[49]   1.90  5.16
define/bound ha[48] hg[48]   1.90  4.30
define/bound ha[48] hn[49]   1.90  3.37
define/bound hg[48] hn[49]   1.90  4.86
define/bound mg2[49] hn[49]   1.90  4.81
define/bound mg2[49] hn[50]   1.90  5.30
define/bound hn[49] hb[49]   1.90  4.57
define/bound ha[49] hn[50]   1.90  4.57
define/bound hb[49] hn[50]   1.90  3.37
define/bound mdr[50] hn[50]   1.90  5.30
define/bound mdr[50] ha[50]   1.90  4.37
define/bound mdr[50] hn[51]   1.90  4.81
define/bound mdr[50] hbs[51]   1.90  6.16
define/bound mdr[50] hbr[51]   1.90  6.16
define/bound mdr[50] ha[52]   1.90  5.57
define/bound mdr[50] hn[53]   1.90  6.16
define/bound mdr[50] ha[53]   1.90  5.57
define/bound mdr[50] hd2[53]   1.90  4.58
define/bound mdr[50] hn[54]   1.90  5.86
define/bound mds[50] hn[50]   1.90  5.30
define/bound mds[50] hn[51]   1.90  5.86
define/bound mds[50] ha[52]   1.90  5.86
define/bound mds[50] hn[53]   1.90  5.30
define/bound mds[50] ha[53]   1.90  6.16
define/bound mds[50] hd2[53]   1.90  4.81
define/bound mds[50] he2[53]   1.90  4.81
define/bound hn[50] hbr[50]   1.90  3.81
define/bound hn[50] hbs[50]   1.90  3.58
define/bound hn[50] hg[50]   1.90  4.86
define/bound hn[50] hn[51]   1.90  5.16
define/bound ha[50] hg[50]   1.90  4.57
define/bound ha[50] hn[51]   1.90  3.37
define/bound hbr[50] hn[51]   1.90  5.16
define/bound hbs[50] hn[51]   1.90  5.16
define/bound hg[50] hn[51]   1.90  4.30
define/bound hg[50] ha[52]   1.90  4.57
define/bound hg[50] hd2[53]   1.90  4.30
define/bound hn[51] hbs[51]   1.90  4.05
define/bound hn[51] hbr[51]   1.90  4.05
define/bound hn[51] hn[52]   1.90  3.37
define/bound hbs[51] hn[52]   1.90  4.86
define/bound hbs[51] hd2[52]   1.90  4.30
define/bound hbr[51] hn[52]   1.90  3.81
define/bound hbr[51] hd2[52]   1.90  3.58
define/bound ha[52] hd2[52]   1.90  4.05
define/bound ha[52] hn[53]   1.90  3.37
define/bound ha[52] he2[53]   1.90  4.86
define/bound hbs[52] hd2[52]   1.90  3.81
define/bound hbs[52] hn[53]   1.90  3.81
define/bound hbr[52] hd2[52]   1.90  3.37
define/bound hbr[52] hn[53]   1.90  4.05
define/bound hd2[52] hn[53]   1.90  5.16
define/bound hd2[52] ha[56]   1.90  4.30
define/bound he1[52] ha[55]   1.90  4.86
define/bound he1[52] ha[56]   1.90  3.17
define/bound he1[52] hbs[56]   1.90  4.57
define/bound he1[52] hbr[56]   1.90  5.16
define/bound hn[53] hbr[53]   1.90  3.58
define/bound hn[53] hbs[53]   1.90  4.05
define/bound hn[53] hd2[53]   1.90  3.58
define/bound ha[53] hd1[53]   1.90  3.81
define/bound ha[53] hn[54]   1.90  3.58
define/bound hbr[53] hd2[53]   1.90  4.30
define/bound hbr[53] hn[54]   1.90  4.86
define/bound hbs[53] hd1[53]   1.90  3.58
define/bound hbs[53] hn[54]   1.90  4.86
define/bound hn[54] hn[55]   1.90  4.86
define/bound har[54] hn[55]   1.90  3.81
define/bound har[54] hbr[55]   1.90  5.16
define/bound has[54] hn[55]   1.90  4.05
define/bound has[54] hbr[55]   1.90  5.16
define/bound has[54] hgs[55]   1.90  5.16
define/bound hn[55] hbr[55]   1.90  3.58
define/bound hn[55] hbs[55]   1.90  3.81
define/bound hn[55] hgs[55]   1.90  3.58
define/bound hn[55] hn[56]   1.90  4.86
define/bound hn[55] ha[56]   1.90  5.50
define/bound ha[55] hn[56]   1.90  3.17
define/bound hbr[55] hn[56]   1.90  4.30
define/bound hbr[55] hbr[56]   1.90  5.50
define/bound hbs[55] hn[56]   1.90  4.30
define/bound hbs[55] hbr[56]   1.90  4.86
define/bound hgs[55] hn[56]   1.90  4.86
define/bound hn[56] hbs[56]   1.90  3.81
define/bound hn[56] hbr[56]   1.90  4.05
;
;Hydrogen bond constraints
;
define/hbond o[31] hn[23]  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 od1[27] hn[29]  1.95  2.20
define/hbond o[23] hn[31]  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[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 oe1[43] hn[43]  1.95  2.20
define/hbond o[41] hn[44]  1.95  2.20
define/hbond og[44] hn[48]  1.95  2.20
;
define/nochiral cb[1]     ;not stereoassigned
define/nochiral cg[1]     ;not stereoassigned
;define/nochiral cb[4]
;define/nochiral cb[5]
;define/nochiral cb[6]
;define/nochiral cb[7]
;define/nochiral cb[8]
;define/nochiral cb[9]
;define/nochiral cb[10]
define/nochiral cb[11]     ;not stereoassigned
;define/nochiral cb[12]
define/nochiral cg[12]     ;not stereoassigned
define/nochiral cd[12]     ;not stereoassigned
define/nochiral cb[13]     ;not stereoassigned
define/nochiral cd[13]     ;not stereoassigned
define/nochiral ce[13]     ;not stereoassigned
define/nochiral cb[14]     ;not stereoassigned
define/nochiral cg[14]     ;not stereoassigned
;define/nochiral cb[16]
define/nochiral cg[18]     ;not stereoassigned
;define/nochiral cb[20]
;define/nochiral cb[21]
define/nochiral cg[21]     ;not stereoassigned
;define/nochiral cb[22]
;define/nochiral cb[23]
;define/nochiral cg[23]
;define/nochiral cb[24]
define/nochiral ca[25]     ;not stereoassigned
define/nochiral cb[26]     ;not stereoassigned
;define/nochiral cb[27]
define/nochiral cb[28]     ;not stereoassigned
;define/nochiral nd[28]
define/nochiral cb[29]     ;not stereoassigned
define/nochiral cg[29]     ;not stereoassigned
define/nochiral cb[31]     ;not stereoassigned
define/nochiral ca[32]     ;not stereoassigned
define/nochiral cb[33]     ;not stereoassigned
;define/nochiral nd[33]
;define/nochiral cb[34]
define/nochiral cg[34]     ;not stereoassigned
;define/nochiral cb[35]
;define/nochiral cb[36]
;define/nochiral nd[36]
;define/nochiral cb[38]
;define/nochiral cb[39]
;define/nochiral nd[39]
;define/nochiral cb[41]
;define/nochiral cb[42]
;define/nochiral cb[43]
define/nochiral cb[44]     ;not stereoassigned
;define/nochiral cb[45]
;define/nochiral nd[45]
define/nochiral ca[46]     ;not stereoassigned
;define/nochiral cb[48]
;define/nochiral cg[48]
;define/nochiral cb[50]
;define/nochiral cg[50]
;define/nochiral cb[51]
;define/nochiral cb[52]
;define/nochiral cb[53]
define/nochiral ca[54]     ;not stereoassigned
define/nochiral cb[55]     ;not stereoassigned
define/nochiral cg[55]     ;not stereoassigned
;define/nochiral cb[56] 


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 404 H/Q atoms
  Start of MODEL    1
    1   1H    LEU   1          1H        LEU   1  -0.345  21.450  -3.068
    2   2H    LEU   1          3H        LEU   1  -1.924  21.798  -3.297
    3   3H    LEU   1          2H        LEU   1  -1.043  22.667  -2.230
    4    HA   LEU   1           HA       LEU   1  -0.897  21.009  -0.696
    5   1HB   LEU   1          2HB       LEU   1  -3.015  22.145  -0.761
    6   2HB   LEU   1          1HB       LEU   1  -3.614  21.054  -2.042
    7    HG   LEU   1           HG       LEU   1  -2.824  19.808   0.540
    8   1HD1  LEU   1          3HD1      LEU   1  -4.063  21.846   1.224
    9   2HD1  LEU   1          2HD1      LEU   1  -5.413  21.350   0.172
   10   3HD1  LEU   1          1HD1      LEU   1  -4.956  20.345   1.570
   11   1HD2  LEU   1          3HD2      LEU   1  -3.888  18.923  -1.759
   12   2HD2  LEU   1          1HD2      LEU   1  -4.255  18.188  -0.178
   13   3HD2  LEU   1          2HD2      LEU   1  -5.390  19.355  -0.905
   14    H    ALA   2           H        ALA   2  -1.552  19.974  -3.944
   15    HA   ALA   2           HA       ALA   2  -2.173  17.309  -3.548
   16   1HB   ALA   2          3HB       ALA   2  -0.641  18.593  -5.824
   17   2HB   ALA   2          2HB       ALA   2  -1.359  16.962  -5.860
   18   3HB   ALA   2          1HB       ALA   2  -2.406  18.392  -5.683
   19    H    ALA   3           H        ALA   3  -1.137  15.505  -3.047
   20    HA   ALA   3           HA       ALA   3   1.678  15.182  -3.528
   21   1HB   ALA   3          1HB       ALA   3   1.639  16.429  -1.331
   22   2HB   ALA   3          2HB       ALA   3   0.838  15.000  -0.628
   23   3HB   ALA   3          3HB       ALA   3   2.472  14.854  -1.324
   24    H    VAL   4           H        VAL   4   1.346  13.377  -4.630
   25    HA   VAL   4           HA       VAL   4  -0.409  11.299  -3.426
   26    HB   VAL   4           HB       VAL   4  -0.159  11.945  -6.365
   27   1HG1  VAL   4          1HG1      VAL   4  -1.134   9.700  -5.352
   28   2HG1  VAL   4          3HG1      VAL   4  -2.587  10.708  -5.149
   29   3HG1  VAL   4          2HG1      VAL   4  -1.870  10.495  -6.764
   30   1HG2  VAL   4          2HG2      VAL   4  -1.783  13.274  -4.260
   31   2HG2  VAL   4          1HG2      VAL   4  -1.101  13.916  -5.775
   32   3HG2  VAL   4          3HG2      VAL   4  -2.579  12.924  -5.813
   33    H    SER   5           H        SER   5   1.722  10.586  -2.558
   34    HA   SER   5           HA       SER   5   2.521   8.375  -4.283
   35   1HB   SER   5          1HB       SER   5   4.970   8.901  -3.220
   36   2HB   SER   5          2HB       SER   5   4.463   9.290  -4.889
   37    HG   SER   5           HG       SER   5   4.047  10.994  -2.575
   38    H    VAL   6           H        VAL   6   4.308   7.102  -2.805
   39    HA   VAL   6           HA       VAL   6   3.072   6.759  -0.135
   40    HB   VAL   6           HB       VAL   6   2.873   4.267  -0.842
   41   1HG1  VAL   6          3HG1      VAL   6   1.051   6.190  -0.432
   42   2HG1  VAL   6          1HG1      VAL   6   0.696   5.815  -2.136
   43   3HG1  VAL   6          2HG1      VAL   6   0.633   4.527  -0.909
   44   1HG2  VAL   6          3HG2      VAL   6   3.152   5.624  -3.479
   45   2HG2  VAL   6          1HG2      VAL   6   3.661   4.002  -2.952
   46   3HG2  VAL   6          2HG2      VAL   6   1.949   4.321  -3.325
   47    H    ASP   7           H        ASP   7   4.061   4.399   0.593
   48    HA   ASP   7           HA       ASP   7   6.965   4.953   0.703
   49   1HB   ASP   7          1HB       ASP   7   5.275   4.924   3.180
   50   2HB   ASP   7          2HB       ASP   7   6.926   5.563   2.929
   51    H    CYS   8           H        CYS   8   6.671   2.822  -0.472
   52    HA   CYS   8           HA       CYS   8   6.112   0.609   1.427
   53   1HB   CYS   8          1HB       CYS   8   5.782   0.807  -1.575
   54   2HB   CYS   8          2HB       CYS   8   5.503  -0.665  -0.601
   55    H    SER   9           H        SER   9   8.653   1.677   1.494
   56    HA   SER   9           HA       SER   9  10.332  -0.261   0.015
   57   1HB   SER   9          1HB       SER   9  11.251   1.885   1.941
   58   2HB   SER   9          2HB       SER   9  12.236   0.942   0.785
   59    HG   SER   9           HG       SER   9  10.135   2.901   0.329
   60    H    GLU  10           H        GLU  10   9.136  -1.965   1.178
   61    HA   GLU  10           HA       GLU  10  10.425  -3.032   3.389
   62   1HB   GLU  10          1HB       GLU  10   9.680  -1.291   4.756
   63   2HB   GLU  10          2HB       GLU  10   8.226  -1.168   3.940
   64   1HG   GLU  10          1HG       GLU  10   7.781  -1.732   6.061
   65   2HG   GLU  10          2HG       GLU  10   7.299  -3.110   5.032
   66    OH   TYR  11           OH       TYR  11   1.745  -1.338   2.936
   67    H    TYR  11           H        TYR  11   7.409  -2.543   1.636
   68    HA   TYR  11           HA       TYR  11   6.328  -5.142   1.724
   69   1HB   TYR  11          2HB       TYR  11   6.497  -3.113  -0.531
   70   2HB   TYR  11          1HB       TYR  11   5.544  -4.621  -0.612
   71    HD1  TYR  11           HD2      TYR  11   5.900  -1.417   1.239
   72    HD2  TYR  11           HD1      TYR  11   3.352  -4.699   0.343
   73    HE1  TYR  11           HE2      TYR  11   4.106  -0.367   2.542
   74    HE2  TYR  11           HE1      TYR  11   1.558  -3.680   1.681
   75    HH   TYR  11           HH       TYR  11   1.438  -0.513   2.295
   76    HA   PRO  12           HA       PRO  12   5.334  -6.294  -0.135
   77   1HB   PRO  12          1HB       PRO  12   5.505  -8.853  -1.097
   78   2HB   PRO  12          2HB       PRO  12   5.757  -7.425  -2.140
   79   1HG   PRO  12          2HG       PRO  12   7.679  -9.455  -1.350
   80   2HG   PRO  12          1HG       PRO  12   7.901  -8.086  -2.475
   81   1HD   PRO  12          2HD       PRO  12   8.672  -8.309   0.413
   82   2HD   PRO  12          1HD       PRO  12   9.350  -7.263  -0.865
   83    H    LYS  13           H        LYS  13   3.838  -7.166   1.097
   84    HA   LYS  13           HA       LYS  13   4.839  -8.409   3.605
   85   1HB   LYS  13          1HB       LYS  13   2.691  -6.634   3.025
   86   2HB   LYS  13          2HB       LYS  13   1.971  -8.192   3.512
   87   1HG   LYS  13          1HG       LYS  13   2.363  -7.699   5.650
   88   2HG   LYS  13          2HG       LYS  13   4.116  -7.622   5.313
   89   1HD   LYS  13          2HD       LYS  13   3.702  -5.269   4.487
   90   2HD   LYS  13          1HD       LYS  13   2.118  -5.367   5.206
   91   1HE   LYS  13          2HE       LYS  13   3.936  -6.265   7.159
   92   2HE   LYS  13          1HE       LYS  13   4.678  -4.828   6.406
   93   1HZ   LYS  13          1HZ       LYS  13   2.016  -5.003   7.439
   94   2HZ   LYS  13          2HZ       LYS  13   3.301  -4.370   8.208
   95   3HZ   LYS  13          3HZ       LYS  13   2.744  -3.695   6.803
   96    HA   PRO  14           HA       PRO  14   3.724 -12.430   2.076
   97   1HB   PRO  14          2HB       PRO  14   3.248 -13.531   4.602
   98   2HB   PRO  14          1HB       PRO  14   4.862 -13.173   3.927
   99   1HG   PRO  14          1HG       PRO  14   3.617 -11.959   6.198
  100   2HG   PRO  14          2HG       PRO  14   5.166 -11.502   5.434
  101   1HD   PRO  14          1HD       PRO  14   2.448 -10.243   5.133
  102   2HD   PRO  14          2HD       PRO  14   4.066  -9.497   5.010
  103    H    ALA  15           H        ALA  15   1.272 -10.626   3.698
  104    HA   ALA  15           HA       ALA  15  -0.813 -11.851   2.106
  105   1HB   ALA  15          2HB       ALA  15  -0.411 -12.693   4.983
  106   2HB   ALA  15          3HB       ALA  15  -1.966 -12.836   4.123
  107   3HB   ALA  15          1HB       ALA  15  -0.535 -13.719   3.530
  108    H    CYS  16           H        CYS  16  -3.009 -11.214   3.061
  109    HA   CYS  16           HA       CYS  16  -3.155  -8.696   4.499
  110   1HB   CYS  16          1HB       CYS  16  -1.984  -8.348   2.170
  111   2HB   CYS  16          2HB       CYS  16  -3.655  -8.477   1.552
  112    H    THR  17           H        THR  17  -5.308  -7.737   4.324
  113    HA   THR  17           HA       THR  17  -7.158 -10.014   4.517
  114    HB   THR  17           HB       THR  17  -8.432  -8.644   6.082
  115    HG1  THR  17           HG1      THR  17  -8.074  -6.746   6.393
  116   1HG2  THR  17          2HG2      THR  17  -5.489  -8.759   6.478
  117   2HG2  THR  17          1HG2      THR  17  -6.416  -7.701   7.572
  118   3HG2  THR  17          3HG2      THR  17  -6.814  -9.434   7.460
  119    H    LEU  18           H        LEU  18  -6.764  -9.234   1.910
  120    HA   LEU  18           HA       LEU  18  -9.507  -9.105   1.201
  121   1HB   LEU  18          1HB       LEU  18  -8.556  -6.621   1.629
  122   2HB   LEU  18          2HB       LEU  18  -8.118  -6.818  -0.093
  123    HG   LEU  18           HG       LEU  18 -10.229  -5.651   0.136
  124   1HD1  LEU  18          1HD1      LEU  18  -9.775  -7.483  -1.656
  125   2HD1  LEU  18          2HD1      LEU  18 -10.973  -8.434  -0.742
  126   3HD1  LEU  18          3HD1      LEU  18 -11.432  -6.863  -1.446
  127   1HD2  LEU  18          3HD2      LEU  18 -10.654  -6.920   2.373
  128   2HD2  LEU  18          1HD2      LEU  18 -12.040  -6.463   1.350
  129   3HD2  LEU  18          2HD2      LEU  18 -11.433  -8.139   1.332
  130   1H    GLU  19          1H        GLU  19  -6.642  -3.379   2.546
  131   2H    GLU  19          3H        GLU  19  -6.790  -3.222   4.166
  132   3H    GLU  19          2H        GLU  19  -7.305  -4.584   3.427
  133    HA   GLU  19           HA       GLU  19  -9.253  -3.475   3.843
  134   1HB   GLU  19          1HB       GLU  19  -7.548  -1.444   4.180
  135   2HB   GLU  19          2HB       GLU  19  -7.996  -1.089   2.610
  136   1HG   GLU  19          1HG       GLU  19  -9.897  -0.258   3.018
  137   2HG   GLU  19          2HG       GLU  19 -10.269  -1.300   4.421
  138    OH   TYR  20           OH       TYR  20 -12.941  -1.008  -5.567
  139    H    TYR  20           H        TYR  20 -10.485  -1.833   2.014
  140    HA   TYR  20           HA       TYR  20 -10.228  -3.356  -0.520
  141   1HB   TYR  20          1HB       TYR  20 -12.512  -3.240   0.188
  142   2HB   TYR  20          2HB       TYR  20 -12.388  -1.491   0.535
  143    HD1  TYR  20           HD2      TYR  20 -12.192  -3.950  -2.260
  144    HD2  TYR  20           HD1      TYR  20 -12.722   0.129  -1.181
  145    HE1  TYR  20           HE2      TYR  20 -12.408  -3.358  -4.632
  146    HE2  TYR  20           HE1      TYR  20 -12.823   0.746  -3.560
  147    HH   TYR  20           HH       TYR  20 -12.260  -0.175  -5.726
  148    NH1  ARG  21           NH1      ARG  21  -8.658   6.482   1.627
  149    NH2  ARG  21           NH2      ARG  21 -10.921   6.458   2.015
  150    H    ARG  21           H        ARG  21 -10.156  -0.069   0.835
  151    HA   ARG  21           HA       ARG  21 -10.876   1.199  -1.441
  152   1HB   ARG  21          1HB       ARG  21  -9.674   3.274  -0.520
  153   2HB   ARG  21          2HB       ARG  21 -10.947   2.513   0.473
  154   1HG   ARG  21          2HG       ARG  21  -9.440   1.734   2.052
  155   2HG   ARG  21          1HG       ARG  21  -8.061   1.778   0.916
  156   1HD   ARG  21          1HD       ARG  21  -8.009   3.528   2.671
  157   2HD   ARG  21          2HD       ARG  21  -7.976   4.151   0.997
  158    HE   ARG  21           HE       ARG  21 -10.584   4.026   2.370
  159   1HH1  ARG  21          2HH1      ARG  21  -7.785   6.001   1.538
  160   2HH1  ARG  21          1HH1      ARG  21  -8.692   7.477   1.527
  161   1HH2  ARG  21          2HH2      ARG  21 -11.762   5.957   2.220
  162   2HH2  ARG  21          1HH2      ARG  21 -10.942   7.452   1.914
  163    HA   PRO  22           HA       PRO  22  -7.700   0.326  -4.222
  164   1HB   PRO  22          1HB       PRO  22  -9.242   1.223  -6.263
  165   2HB   PRO  22          2HB       PRO  22  -9.844  -0.036  -5.148
  166   1HG   PRO  22          1HG       PRO  22 -10.712   2.766  -5.454
  167   2HG   PRO  22          2HG       PRO  22 -11.527   1.410  -4.622
  168   1HD   PRO  22          1HD       PRO  22  -9.834   3.571  -3.500
  169   2HD   PRO  22          2HD       PRO  22 -10.961   2.474  -2.662
  170    H    LEU  23           H        LEU  23  -6.277   0.951  -5.810
  171    HA   LEU  23           HA       LEU  23  -5.814   3.880  -5.961
  172   1HB   LEU  23          1HB       LEU  23  -3.515   1.971  -6.192
  173   2HB   LEU  23          2HB       LEU  23  -3.535   3.696  -5.732
  174    HG   LEU  23           HG       LEU  23  -4.814   1.807  -3.830
  175   1HD1  LEU  23          2HD1      LEU  23  -1.998   1.590  -4.731
  176   2HD1  LEU  23          1HD1      LEU  23  -2.254   1.667  -2.969
  177   3HD1  LEU  23          3HD1      LEU  23  -3.051   0.394  -3.930
  178   1HD2  LEU  23          1HD2      LEU  23  -4.256   4.417  -3.808
  179   2HD2  LEU  23          2HD2      LEU  23  -4.220   3.423  -2.329
  180   3HD2  LEU  23          3HD2      LEU  23  -2.702   3.813  -3.178
  181    H    CYS  24           H        CYS  24  -3.986   3.961  -7.924
  182    HA   CYS  24           HA       CYS  24  -4.566   1.882  -9.886
  183   1HB   CYS  24          1HB       CYS  24  -5.928   3.874 -10.581
  184   2HB   CYS  24          2HB       CYS  24  -4.392   4.762 -10.790
  185    H    GLY  25           H        GLY  25  -2.715   0.952 -10.302
  186   1HA   GLY  25          2HA       GLY  25  -0.127   2.024  -9.558
  187   2HA   GLY  25          1HA       GLY  25  -0.442   0.576 -10.551
  188    H    SER  26           H        SER  26   1.603   2.131 -11.298
  189    HA   SER  26           HA       SER  26   0.611   3.558 -13.704
  190   1HB   SER  26          2HB       SER  26   3.529   3.270 -13.132
  191   2HB   SER  26          1HB       SER  26   2.613   4.600 -13.899
  192    HG   SER  26           HG       SER  26   3.379   5.310 -11.957
  193    H    ASP  27           H        ASP  27   0.221   0.724 -13.327
  194    HA   ASP  27           HA       ASP  27   1.798  -0.197 -15.664
  195   1HB   ASP  27          1HB       ASP  27   1.871  -2.380 -14.713
  196   2HB   ASP  27          2HB       ASP  27   2.492  -1.180 -13.543
  197    H    ASN  28           H        ASN  28  -0.886   1.125 -15.513
  198    HA   ASN  28           HA       ASN  28  -2.991   0.929 -16.318
  199   1HB   ASN  28          1HB       ASN  28  -1.334  -0.908 -17.934
  200   2HB   ASN  28          2HB       ASN  28  -3.108  -1.065 -18.090
  201   1HD2  ASN  28          1HD2      ASN  28  -1.491   2.647 -18.965
  202   2HD2  ASN  28          2HD2      ASN  28  -0.963   1.772 -17.567
  203    H    LYS  29           H        LYS  29  -2.265  -0.583 -13.868
  204    HA   LYS  29           HA       LYS  29  -4.791  -2.180 -13.853
  205   1HB   LYS  29          2HB       LYS  29  -2.519  -2.774 -11.992
  206   2HB   LYS  29          1HB       LYS  29  -3.791  -3.847 -12.643
  207   1HG   LYS  29          1HG       LYS  29  -2.676  -3.835 -14.841
  208   2HG   LYS  29          2HG       LYS  29  -1.407  -2.757 -14.192
  209   1HD   LYS  29          1HD       LYS  29  -0.286  -4.651 -13.870
  210   2HD   LYS  29          2HD       LYS  29  -1.216  -4.684 -12.396
  211   1HE   LYS  29          1HE       LYS  29  -1.760  -6.746 -12.997
  212   2HE   LYS  29          2HE       LYS  29  -2.947  -5.918 -14.042
  213   1HZ   LYS  29          3HZ       LYS  29  -1.268  -5.909 -15.679
  214   2HZ   LYS  29          1HZ       LYS  29  -0.331  -6.841 -14.730
  215   3HZ   LYS  29          2HZ       LYS  29  -1.768  -7.418 -15.225
  216    H    THR  30           H        THR  30  -6.224  -1.740 -12.337
  217    HA   THR  30           HA       THR  30  -5.639   0.157 -10.162
  218    HB   THR  30           HB       THR  30  -8.170  -1.411 -10.909
  219    HG1  THR  30           HG1      THR  30  -8.809   0.244 -11.591
  220   1HG2  THR  30          3HG2      THR  30  -7.881  -0.935  -8.403
  221   2HG2  THR  30          1HG2      THR  30  -8.074   0.781  -8.842
  222   3HG2  THR  30          2HG2      THR  30  -9.379  -0.381  -9.192
  223    OH   TYR  31           OH       TYR  31   0.208  -3.766 -10.103
  224    H    TYR  31           H        TYR  31  -5.813  -0.416  -7.965
  225    HA   TYR  31           HA       TYR  31  -5.056  -3.256  -7.462
  226   1HB   TYR  31          1HB       TYR  31  -3.786  -0.652  -6.636
  227   2HB   TYR  31          2HB       TYR  31  -3.628  -2.093  -5.593
  228    HD1  TYR  31           HD2      TYR  31  -2.736  -4.240  -6.747
  229    HD2  TYR  31           HD1      TYR  31  -2.237  -0.349  -8.389
  230    HE1  TYR  31           HE2      TYR  31  -1.058  -5.122  -8.305
  231    HE2  TYR  31           HE1      TYR  31  -0.465  -1.196  -9.867
  232    HH   TYR  31           HH       TYR  31  -0.397  -4.470 -10.670
  233    H    GLY  32           H        GLY  32  -6.127  -4.291  -5.961
  234   1HA   GLY  32          2HA       GLY  32  -8.460  -3.044  -4.856
  235   2HA   GLY  32          1HA       GLY  32  -7.951  -4.735  -4.619
  236    H    ASN  33           H        ASN  33  -5.238  -3.508  -3.662
  237    HA   ASN  33           HA       ASN  33  -6.016  -1.830  -1.391
  238   1HB   ASN  33          1HB       ASN  33  -4.625  -3.456   0.111
  239   2HB   ASN  33          2HB       ASN  33  -6.377  -3.678  -0.165
  240   1HD2  ASN  33          1HD2      ASN  33  -5.725  -7.023  -0.827
  241   2HD2  ASN  33          2HD2      ASN  33  -6.112  -5.904   0.441
  242    H    LYS  34           H        LYS  34  -3.934  -1.471   0.011
  243    HA   LYS  34           HA       LYS  34  -1.822  -0.376  -1.642
  244   1HB   LYS  34          1HB       LYS  34  -2.396  -0.673   1.250
  245   2HB   LYS  34          2HB       LYS  34  -0.669  -0.703   0.796
  246   1HG   LYS  34          1HG       LYS  34  -1.278   1.447  -0.581
  247   2HG   LYS  34          2HG       LYS  34  -2.689   1.517   0.514
  248   1HD   LYS  34          1HD       LYS  34  -1.443   1.941   2.366
  249   2HD   LYS  34          2HD       LYS  34  -0.045   1.097   1.758
  250   1HE   LYS  34          1HE       LYS  34   0.448   3.431   1.897
  251   2HE   LYS  34          2HE       LYS  34   0.426   2.893   0.196
  252   1HZ   LYS  34          2HZ       LYS  34  -1.822   4.048   1.503
  253   2HZ   LYS  34          3HZ       LYS  34  -0.667   4.926   0.708
  254   3HZ   LYS  34          1HZ       LYS  34  -1.563   3.825  -0.087
  255    H    CYS  35           H        CYS  35  -2.635  -3.475  -0.284
  256    HA   CYS  35           HA       CYS  35  -0.002  -4.465  -0.043
  257   1HB   CYS  35          1HB       CYS  35  -2.685  -5.847  -0.187
  258   2HB   CYS  35          2HB       CYS  35  -1.144  -6.691   0.141
  259    H    ASN  36           H        ASN  36  -2.437  -4.793  -2.615
  260    HA   ASN  36           HA       ASN  36  -0.610  -6.438  -4.211
  261   1HB   ASN  36          1HB       ASN  36  -3.474  -5.698  -4.394
  262   2HB   ASN  36          2HB       ASN  36  -2.595  -6.035  -5.914
  263   1HD2  ASN  36          1HD2      ASN  36  -3.006  -9.041  -3.088
  264   2HD2  ASN  36          2HD2      ASN  36  -3.060  -7.376  -2.609
  265    H    PHE  37           H        PHE  37  -1.422  -3.127  -3.753
  266    HA   PHE  37           HA       PHE  37  -0.329  -2.089  -6.218
  267   1HB   PHE  37          1HB       PHE  37  -1.692  -0.643  -4.760
  268   2HB   PHE  37          2HB       PHE  37  -0.487  -0.807  -3.451
  269    HD1  PHE  37           HD1      PHE  37  -0.391  -0.126  -7.086
  270    HD2  PHE  37           HD2      PHE  37   0.870   1.138  -3.217
  271    HE1  PHE  37           HE1      PHE  37   0.971   1.633  -8.124
  272    HE2  PHE  37           HE2      PHE  37   2.448   2.741  -4.253
  273    HZ   PHE  37           HZ       PHE  37   2.410   3.055  -6.712
  274    H    CYS  38           H        CYS  38   1.024  -2.101  -2.899
  275    HA   CYS  38           HA       CYS  38   3.573  -1.365  -3.837
  276   1HB   CYS  38          1HB       CYS  38   2.806  -2.548  -1.158
  277   2HB   CYS  38          2HB       CYS  38   4.328  -1.699  -1.549
  278    H    ASN  39           H        ASN  39   2.111  -4.476  -3.590
  279    HA   ASN  39           HA       ASN  39   4.615  -5.984  -3.511
  280   1HB   ASN  39          1HB       ASN  39   1.758  -6.786  -4.032
  281   2HB   ASN  39          2HB       ASN  39   3.148  -7.895  -4.203
  282   1HD2  ASN  39          1HD2      ASN  39   1.487  -8.057  -0.778
  283   2HD2  ASN  39          2HD2      ASN  39   0.955  -8.270  -2.413
  284    H    ALA  40           H        ALA  40   2.483  -4.432  -5.793
  285    HA   ALA  40           HA       ALA  40   3.740  -5.525  -8.172
  286   1HB   ALA  40          1HB       ALA  40   1.432  -4.447  -7.966
  287   2HB   ALA  40          2HB       ALA  40   2.293  -2.887  -7.964
  288   3HB   ALA  40          3HB       ALA  40   2.444  -3.986  -9.358
  289    H    VAL  41           H        VAL  41   4.262  -2.834  -5.950
  290    HA   VAL  41           HA       VAL  41   6.084  -1.385  -7.649
  291    HB   VAL  41           HB       VAL  41   5.689  -1.291  -4.651
  292   1HG1  VAL  41          2HG1      VAL  41   7.879  -0.355  -5.606
  293   2HG1  VAL  41          1HG1      VAL  41   6.865   0.919  -6.328
  294   3HG1  VAL  41          3HG1      VAL  41   6.901   0.704  -4.561
  295   1HG2  VAL  41          1HG2      VAL  41   3.748  -0.735  -6.326
  296   2HG2  VAL  41          3HG2      VAL  41   4.065   0.300  -4.913
  297   3HG2  VAL  41          2HG2      VAL  41   4.643   0.792  -6.524
  298    H    VAL  42           H        VAL  42   6.535  -3.562  -4.843
  299    HA   VAL  42           HA       VAL  42   9.349  -3.352  -4.839
  300    HB   VAL  42           HB       VAL  42   9.235  -5.483  -3.483
  301   1HG1  VAL  42          2HG1      VAL  42   8.144  -2.844  -2.830
  302   2HG1  VAL  42          3HG1      VAL  42   7.559  -4.144  -1.764
  303   3HG1  VAL  42          1HG1      VAL  42   9.307  -3.865  -1.950
  304   1HG2  VAL  42          1HG2      VAL  42   6.489  -5.424  -4.467
  305   2HG2  VAL  42          3HG2      VAL  42   7.428  -6.750  -3.739
  306   3HG2  VAL  42          2HG2      VAL  42   6.593  -5.574  -2.696
  307    H    GLU  43           H        GLU  43   7.200  -5.762  -6.347
  308    HA   GLU  43           HA       GLU  43   9.080  -7.240  -7.749
  309   1HB   GLU  43          1HB       GLU  43   6.349  -6.208  -8.514
  310   2HB   GLU  43          2HB       GLU  43   7.250  -7.197  -9.518
  311   1HG   GLU  43          1HG       GLU  43   5.410  -8.005  -7.845
  312   2HG   GLU  43          2HG       GLU  43   6.632  -9.056  -8.614
  313    H    SER  44           H        SER  44   7.812  -4.001  -8.442
  314    HA   SER  44           HA       SER  44   8.720  -3.958 -11.155
  315   1HB   SER  44          1HB       SER  44   7.832  -1.846 -11.312
  316   2HB   SER  44          2HB       SER  44   6.825  -2.604 -10.049
  317    HG   SER  44           HG       SER  44   7.198  -0.810  -9.076
  318    H    ASN  45           H        ASN  45  10.179  -3.163  -8.094
  319    HA   ASN  45           HA       ASN  45  12.315  -2.591  -7.540
  320   1HB   ASN  45          1HB       ASN  45  12.814  -3.996  -9.755
  321   2HB   ASN  45          2HB       ASN  45  13.362  -2.383 -10.296
  322   1HD2  ASN  45          1HD2      ASN  45  15.619  -2.341  -7.240
  323   2HD2  ASN  45          2HD2      ASN  45  14.178  -1.476  -7.657
  324    H    GLY  46           H        GLY  46  10.160  -0.851  -7.918
  325   1HA   GLY  46          2HA       GLY  46   9.649   1.397  -8.051
  326   2HA   GLY  46          1HA       GLY  46  11.397   1.750  -8.069
  327    H    THR  47           H        THR  47   8.524   1.227  -9.949
  328    HA   THR  47           HA       THR  47   9.505   2.750 -12.093
  329    HB   THR  47           HB       THR  47  10.791   0.605 -12.626
  330    HG1  THR  47           HG1      THR  47  10.443   0.776 -14.552
  331   1HG2  THR  47          3HG2      THR  47   8.001  -0.460 -12.923
  332   2HG2  THR  47          2HG2      THR  47   9.304  -1.055 -13.983
  333   3HG2  THR  47          1HG2      THR  47   9.445  -1.227 -12.215
  334    H    LEU  48           H        LEU  48   7.267   0.278 -10.943
  335    HA   LEU  48           HA       LEU  48   4.970   1.120 -12.475
  336   1HB   LEU  48          1HB       LEU  48   4.781  -0.965 -11.589
  337   2HB   LEU  48          2HB       LEU  48   5.606  -0.522 -10.071
  338    HG   LEU  48           HG       LEU  48   3.224   0.891  -9.920
  339   1HD1  LEU  48          3HD1      LEU  48   2.812  -1.712 -11.392
  340   2HD1  LEU  48          2HD1      LEU  48   1.563  -1.015 -10.329
  341   3HD1  LEU  48          1HD1      LEU  48   2.138  -0.101 -11.747
  342   1HD2  LEU  48          3HD2      LEU  48   4.483  -0.565  -8.257
  343   2HD2  LEU  48          1HD2      LEU  48   2.703  -0.626  -8.184
  344   3HD2  LEU  48          2HD2      LEU  48   3.609  -1.950  -8.960
  345    H    THR  49           H        THR  49   5.077   1.403  -8.961
  346    HA   THR  49           HA       THR  49   4.749   3.162  -7.524
  347    HB   THR  49           HB       THR  49   5.305   5.262  -9.634
  348    HG1  THR  49           HG1      THR  49   7.193   4.899  -9.687
  349   1HG2  THR  49          1HG2      THR  49   6.039   4.889  -6.729
  350   2HG2  THR  49          2HG2      THR  49   6.790   6.136  -7.758
  351   3HG2  THR  49          3HG2      THR  49   5.031   6.156  -7.471
  352    H    LEU  50           H        LEU  50   3.383   5.221  -7.321
  353    HA   LEU  50           HA       LEU  50   0.786   4.298  -8.276
  354   1HB   LEU  50          1HB       LEU  50   0.929   4.530  -5.981
  355   2HB   LEU  50          2HB       LEU  50   1.853   6.054  -6.083
  356    HG   LEU  50           HG       LEU  50  -0.344   7.066  -6.991
  357   1HD1  LEU  50          3HD1      LEU  50  -1.212   4.388  -5.954
  358   2HD1  LEU  50          2HD1      LEU  50  -2.263   5.803  -5.699
  359   3HD1  LEU  50          1HD1      LEU  50  -1.805   5.320  -7.352
  360   1HD2  LEU  50          2HD2      LEU  50   0.894   7.032  -4.607
  361   2HD2  LEU  50          1HD2      LEU  50  -0.651   7.874  -4.886
  362   3HD2  LEU  50          3HD2      LEU  50  -0.640   6.255  -4.141
  363    H    SER  51           H        SER  51  -0.112   5.067 -10.019
  364    HA   SER  51           HA       SER  51   0.312   7.650 -11.159
  365   1HB   SER  51          1HB       SER  51  -0.638   5.813 -12.429
  366   2HB   SER  51          2HB       SER  51  -2.088   5.809 -11.385
  367    HG   SER  51           HG       SER  51  -2.539   7.965 -11.955
  368    H    HIS  52           H        HIS  52  -2.159   6.368  -8.921
  369    HA   HIS  52           HA       HIS  52  -2.332   8.749  -7.355
  370   1HB   HIS  52          1HB       HIS  52  -4.604   9.495  -8.057
  371   2HB   HIS  52          2HB       HIS  52  -3.352   9.807  -9.295
  372    HD1  HIS  52           HD1      HIS  52  -6.703   9.010  -9.415
  373    HD2  HIS  52           HD2      HIS  52  -3.397   6.768 -10.590
  374    HE1  HIS  52           HE1      HIS  52  -7.571   7.193 -10.909
  375    HE2  HIS  52           HE2      HIS  52  -5.552   5.957 -11.774
  376    H    PHE  53           H        PHE  53  -3.727   8.526  -5.643
  377    HA   PHE  53           HA       PHE  53  -4.649   5.842  -5.002
  378   1HB   PHE  53          1HB       PHE  53  -5.352   8.440  -3.571
  379   2HB   PHE  53          2HB       PHE  53  -5.559   6.771  -2.966
  380    HD1  PHE  53           HD2      PHE  53  -2.816   9.129  -4.116
  381    HD2  PHE  53           HD1      PHE  53  -3.943   5.724  -1.819
  382    HE1  PHE  53           HE2      PHE  53  -0.656   9.235  -2.911
  383    HE2  PHE  53           HE1      PHE  53  -1.728   5.683  -0.761
  384    HZ   PHE  53           HZ       PHE  53  -0.141   7.524  -1.192
  385    H    GLY  54           H        GLY  54  -6.975   5.661  -4.179
  386   1HA   GLY  54          2HA       GLY  54  -9.193   5.400  -4.838
  387   2HA   GLY  54          1HA       GLY  54  -9.037   6.840  -5.881
  388    H    LYS  55           H        LYS  55 -10.383   4.734  -6.872
  389    HA   LYS  55           HA       LYS  55  -8.821   2.973  -8.542
  390   1HB   LYS  55          1HB       LYS  55 -11.534   4.082  -9.267
  391   2HB   LYS  55          2HB       LYS  55 -10.801   2.512  -9.699
  392   1HG   LYS  55          2HG       LYS  55 -11.004   1.779  -7.347
  393   2HG   LYS  55          1HG       LYS  55 -11.757   3.346  -6.931
  394   1HD   LYS  55          1HD       LYS  55 -13.141   2.172  -9.154
  395   2HD   LYS  55          2HD       LYS  55 -12.913   0.941  -7.941
  396   1HE   LYS  55          1HE       LYS  55 -13.760   3.441  -6.744
  397   2HE   LYS  55          2HE       LYS  55 -14.886   2.870  -8.006
  398   1HZ   LYS  55          3HZ       LYS  55 -13.855   1.192  -5.952
  399   2HZ   LYS  55          1HZ       LYS  55 -15.197   2.092  -5.764
  400   3HZ   LYS  55          2HZ       LYS  55 -15.160   0.975  -6.945
  401    H    CYS  56           H        CYS  56  -9.185   3.218 -11.010
  402    HA   CYS  56           HA       CYS  56  -7.273   5.213 -11.470
  403   1HB   CYS  56          1HB       CYS  56  -7.773   2.786 -12.486
  404   2HB   CYS  56          2HB       CYS  56  -8.483   3.775 -13.791
   
  Start of MODEL           2
 Raw file had 404 H/Q atoms
  Start of MODEL    2
    1   1H    LEU   1          3H        LEU   1  -1.088  17.486  -7.655
    2   2H    LEU   1          2H        LEU   1  -1.872  16.421  -6.697
    3   3H    LEU   1          1H        LEU   1  -1.771  17.992  -6.261
    4    HA   LEU   1           HA       LEU   1   0.478  17.911  -5.832
    5   1HB   LEU   1          2HB       LEU   1  -0.912  15.416  -4.803
    6   2HB   LEU   1          1HB       LEU   1   0.518  16.202  -4.075
    7    HG   LEU   1           HG       LEU   1  -1.090  18.269  -3.898
    8   1HD1  LEU   1          3HD1      LEU   1  -2.901  15.933  -4.392
    9   2HD1  LEU   1          1HD1      LEU   1  -3.379  17.153  -3.185
   10   3HD1  LEU   1          2HD1      LEU   1  -3.077  17.639  -4.872
   11   1HD2  LEU   1          3HD2      LEU   1  -0.718  15.818  -2.239
   12   2HD2  LEU   1          2HD2      LEU   1  -0.270  17.511  -1.907
   13   3HD2  LEU   1          1HD2      LEU   1  -1.961  16.983  -1.718
   14    H    ALA   2           H        ALA   2   2.107  17.606  -7.170
   15    HA   ALA   2           HA       ALA   2   2.152  15.620  -9.148
   16   1HB   ALA   2          1HB       ALA   2   3.330  17.855  -9.120
   17   2HB   ALA   2          2HB       ALA   2   4.585  17.086  -8.115
   18   3HB   ALA   2          3HB       ALA   2   4.264  16.479  -9.759
   19    H    ALA   3           H        ALA   3   3.271  15.566  -5.860
   20    HA   ALA   3           HA       ALA   3   4.276  12.795  -6.325
   21   1HB   ALA   3          1HB       ALA   3   5.553  14.987  -5.011
   22   2HB   ALA   3          3HB       ALA   3   5.137  13.753  -3.794
   23   3HB   ALA   3          2HB       ALA   3   6.116  13.308  -5.215
   24    H    VAL   4           H        VAL   4   2.394  11.734  -6.045
   25    HA   VAL   4           HA       VAL   4   1.404  11.769  -3.245
   26    HB   VAL   4           HB       VAL   4  -0.694  10.818  -3.978
   27   1HG1  VAL   4          1HG1      VAL   4  -0.382  13.314  -3.840
   28   2HG1  VAL   4          3HG1      VAL   4  -0.227  13.318  -5.613
   29   3HG1  VAL   4          2HG1      VAL   4  -1.736  12.760  -4.852
   30   1HG2  VAL   4          1HG2      VAL   4   0.681  10.539  -6.531
   31   2HG2  VAL   4          2HG2      VAL   4  -0.757   9.702  -5.895
   32   3HG2  VAL   4          3HG2      VAL   4  -0.927  11.285  -6.693
   33    H    SER   5           H        SER   5   2.854  10.404  -2.410
   34    HA   SER   5           HA       SER   5   3.427   7.909  -3.923
   35   1HB   SER   5          1HB       SER   5   5.646   8.026  -3.244
   36   2HB   SER   5          2HB       SER   5   5.224   9.709  -3.674
   37    HG   SER   5           HG       SER   5   5.015  10.317  -1.592
   38    H    VAL   6           H        VAL   6   4.615   6.298  -2.339
   39    HA   VAL   6           HA       VAL   6   2.930   5.889   0.056
   40    HB   VAL   6           HB       VAL   6   2.887   4.167  -2.433
   41   1HG1  VAL   6          2HG1      VAL   6   2.677   3.172   0.077
   42   2HG1  VAL   6          1HG1      VAL   6   0.978   3.588  -0.253
   43   3HG1  VAL   6          3HG1      VAL   6   1.855   2.492  -1.348
   44   1HG2  VAL   6          1HG2      VAL   6   0.772   5.911  -1.156
   45   2HG2  VAL   6          2HG2      VAL   6   1.532   6.106  -2.755
   46   3HG2  VAL   6          3HG2      VAL   6   0.457   4.721  -2.443
   47    H    ASP   7           H        ASP   7   3.967   4.921   1.614
   48    HA   ASP   7           HA       ASP   7   6.709   4.117   1.074
   49   1HB   ASP   7          1HB       ASP   7   6.366   5.637   2.858
   50   2HB   ASP   7          2HB       ASP   7   5.212   4.531   3.660
   51    H    CYS   8           H        CYS   8   7.285   2.189   0.569
   52    HA   CYS   8           HA       CYS   8   5.712  -0.122   1.588
   53   1HB   CYS   8          1HB       CYS   8   6.480   0.341  -1.305
   54   2HB   CYS   8          2HB       CYS   8   5.581  -1.043  -0.626
   55    H    SER   9           H        SER   9   8.321   0.934   2.344
   56    HA   SER   9           HA       SER   9  10.227  -0.895   1.176
   57   1HB   SER   9          1HB       SER   9  10.977   1.289   1.738
   58   2HB   SER   9          2HB       SER   9  10.444   1.115   3.434
   59    HG   SER   9           HG       SER   9  12.086  -0.010   3.987
   60    H    GLU  10           H        GLU  10   8.884  -2.801   1.771
   61    HA   GLU  10           HA       GLU  10   9.783  -4.245   3.959
   62   1HB   GLU  10          1HB       GLU  10   8.172  -2.254   4.869
   63   2HB   GLU  10          2HB       GLU  10   7.007  -3.381   4.464
   64   1HG   GLU  10          1HG       GLU  10   8.981  -3.550   6.587
   65   2HG   GLU  10          2HG       GLU  10   7.200  -3.629   6.704
   66    OH   TYR  11           OH       TYR  11   1.481  -2.106   2.607
   67    H    TYR  11           H        TYR  11   7.095  -3.437   1.823
   68    HA   TYR  11           HA       TYR  11   6.044  -5.993   1.348
   69   1HB   TYR  11          1HB       TYR  11   6.491  -3.670  -0.559
   70   2HB   TYR  11          2HB       TYR  11   5.519  -5.119  -0.937
   71    HD1  TYR  11           HD1      TYR  11   3.324  -5.445   0.146
   72    HD2  TYR  11           HD2      TYR  11   5.706  -2.051   1.095
   73    HE1  TYR  11           HE1      TYR  11   1.465  -4.510   1.458
   74    HE2  TYR  11           HE2      TYR  11   3.773  -0.992   2.179
   75    HH   TYR  11           HH       TYR  11   0.588  -2.418   2.068
   76    HA   PRO  12           HA       PRO  12   5.277  -6.859  -0.784
   77   1HB   PRO  12          1HB       PRO  12   5.547  -9.296  -1.965
   78   2HB   PRO  12          2HB       PRO  12   5.964  -7.792  -2.833
   79   1HG   PRO  12          2HG       PRO  12   7.723  -9.942  -1.904
   80   2HG   PRO  12          1HG       PRO  12   8.094  -8.572  -2.987
   81   1HD   PRO  12          2HD       PRO  12   8.623  -8.851  -0.067
   82   2HD   PRO  12          1HD       PRO  12   9.348  -7.721  -1.243
   83    H    LYS  13           H        LYS  13   3.737  -7.600   0.368
   84    HA   LYS  13           HA       LYS  13   4.354  -9.169   2.782
   85   1HB   LYS  13          1HB       LYS  13   1.991  -7.764   1.658
   86   2HB   LYS  13          2HB       LYS  13   1.656  -9.273   2.549
   87   1HG   LYS  13          1HG       LYS  13   1.933  -8.247   4.515
   88   2HG   LYS  13          2HG       LYS  13   3.536  -7.630   4.023
   89   1HD   LYS  13          2HD       LYS  13   1.768  -6.059   2.613
   90   2HD   LYS  13          1HD       LYS  13   0.947  -6.270   4.136
   91   1HE   LYS  13          1HE       LYS  13   3.796  -5.311   3.775
   92   2HE   LYS  13          2HE       LYS  13   2.367  -4.273   4.038
   93   1HZ   LYS  13          1HZ       LYS  13   2.045  -5.364   6.038
   94   2HZ   LYS  13          2HZ       LYS  13   3.350  -6.302   5.791
   95   3HZ   LYS  13          3HZ       LYS  13   3.512  -4.665   5.962
   96    HA   PRO  14           HA       PRO  14   2.860 -12.952   0.512
   97   1HB   PRO  14          2HB       PRO  14   2.061 -14.301   2.807
   98   2HB   PRO  14          1HB       PRO  14   3.763 -14.101   2.307
   99   1HG   PRO  14          2HG       PRO  14   2.467 -13.026   4.636
  100   2HG   PRO  14          1HG       PRO  14   4.152 -12.771   4.103
  101   1HD   PRO  14          1HD       PRO  14   1.762 -10.981   3.777
  102   2HD   PRO  14          2HD       PRO  14   3.492 -10.555   3.869
  103    H    ALA  15           H        ALA  15   0.470 -11.953   2.946
  104    HA   ALA  15           HA       ALA  15  -1.545 -11.952   0.766
  105   1HB   ALA  15          2HB       ALA  15  -1.311 -14.237   1.794
  106   2HB   ALA  15          1HB       ALA  15  -1.874 -13.526   3.328
  107   3HB   ALA  15          3HB       ALA  15  -2.933 -13.506   1.895
  108    H    CYS  16           H        CYS  16  -3.133 -10.523   1.031
  109    HA   CYS  16           HA       CYS  16  -3.579  -9.388   3.737
  110   1HB   CYS  16          1HB       CYS  16  -3.106  -7.912   1.168
  111   2HB   CYS  16          2HB       CYS  16  -4.193  -7.233   2.414
  112    H    THR  17           H        THR  17  -5.708  -8.201   3.802
  113    HA   THR  17           HA       THR  17  -7.607  -8.705   1.735
  114    HB   THR  17           HB       THR  17  -8.061 -10.202   4.379
  115    HG1  THR  17           HG1      THR  17  -7.963 -10.921   1.744
  116   1HG2  THR  17          1HG2      THR  17 -10.007  -9.135   2.550
  117   2HG2  THR  17          2HG2      THR  17 -10.089 -10.916   2.573
  118   3HG2  THR  17          3HG2      THR  17 -10.226  -9.997   4.095
  119    H    LEU  18           H        LEU  18  -7.023  -7.868   5.132
  120    HA   LEU  18           HA       LEU  18  -8.084  -5.224   4.548
  121   1HB   LEU  18          1HB       LEU  18  -9.788  -7.070   5.721
  122   2HB   LEU  18          2HB       LEU  18  -9.153  -6.143   7.109
  123    HG   LEU  18           HG       LEU  18 -10.561  -4.980   4.691
  124   1HD1  LEU  18          3HD1      LEU  18 -11.892  -6.371   6.417
  125   2HD1  LEU  18          2HD1      LEU  18 -11.558  -5.027   7.537
  126   3HD1  LEU  18          1HD1      LEU  18 -12.462  -4.727   6.032
  127   1HD2  LEU  18          1HD2      LEU  18  -8.747  -3.646   5.916
  128   2HD2  LEU  18          2HD2      LEU  18 -10.357  -2.895   5.774
  129   3HD2  LEU  18          3HD2      LEU  18  -9.856  -3.645   7.310
  130   1H    GLU  19          1H        GLU  19  -6.538  -4.176   2.848
  131   2H    GLU  19          3H        GLU  19  -6.162  -2.590   2.926
  132   3H    GLU  19          2H        GLU  19  -6.489  -3.420   4.295
  133    HA   GLU  19           HA       GLU  19  -8.716  -3.535   3.947
  134   1HB   GLU  19          1HB       GLU  19  -8.124  -0.978   2.526
  135   2HB   GLU  19          2HB       GLU  19  -9.352  -1.359   3.595
  136   1HG   GLU  19          1HG       GLU  19  -7.119  -1.597   5.120
  137   2HG   GLU  19          2HG       GLU  19  -6.903  -0.092   4.181
  138    OH   TYR  20           OH       TYR  20 -12.786  -1.698  -5.556
  139    H    TYR  20           H        TYR  20 -10.127  -1.975   1.973
  140    HA   TYR  20           HA       TYR  20  -9.738  -3.661  -0.449
  141   1HB   TYR  20          1HB       TYR  20 -12.025  -3.826   0.200
  142   2HB   TYR  20          2HB       TYR  20 -12.133  -2.076   0.544
  143    HD1  TYR  20           HD2      TYR  20 -11.632  -4.498  -2.243
  144    HD2  TYR  20           HD1      TYR  20 -12.669  -0.516  -1.177
  145    HE1  TYR  20           HE2      TYR  20 -11.934  -3.950  -4.616
  146    HE2  TYR  20           HE1      TYR  20 -12.886   0.066  -3.557
  147    HH   TYR  20           HH       TYR  20 -13.869  -1.613  -5.632
  148    NH1  ARG  21           NH1      ARG  21 -10.543   2.712   3.803
  149    NH2  ARG  21           NH2      ARG  21 -12.167   4.222   3.205
  150    H    ARG  21           H        ARG  21 -10.050  -0.354   0.794
  151    HA   ARG  21           HA       ARG  21 -10.971   0.754  -1.486
  152   1HB   ARG  21          1HB       ARG  21 -10.001   2.982  -0.653
  153   2HB   ARG  21          2HB       ARG  21 -11.150   2.098   0.390
  154   1HG   ARG  21          2HG       ARG  21  -9.510   1.525   1.936
  155   2HG   ARG  21          1HG       ARG  21  -8.180   1.754   0.766
  156   1HD   ARG  21          1HD       ARG  21  -8.269   3.513   2.467
  157   2HD   ARG  21          2HD       ARG  21  -8.498   4.135   0.808
  158    HE   ARG  21           HE       ARG  21 -10.499   4.982   1.535
  159   1HH1  ARG  21          2HH1      ARG  21  -9.636   2.313   3.670
  160   2HH1  ARG  21          1HH1      ARG  21 -11.130   2.385   4.543
  161   1HH2  ARG  21          2HH2      ARG  21 -12.490   4.965   2.618
  162   2HH2  ARG  21          1HH2      ARG  21 -12.744   3.887   3.950
  163    HA   PRO  22           HA       PRO  22  -7.834   0.440  -4.425
  164   1HB   PRO  22          1HB       PRO  22  -9.575   1.299  -6.325
  165   2HB   PRO  22          2HB       PRO  22  -9.975  -0.085  -5.270
  166   1HG   PRO  22          1HG       PRO  22 -11.182   2.590  -5.351
  167   2HG   PRO  22          2HG       PRO  22 -11.745   1.122  -4.503
  168   1HD   PRO  22          1HD       PRO  22 -10.177   3.435  -3.470
  169   2HD   PRO  22          2HD       PRO  22 -11.167   2.254  -2.580
  170    H    LEU  23           H        LEU  23  -6.336   1.189  -5.710
  171    HA   LEU  23           HA       LEU  23  -6.270   4.136  -6.055
  172   1HB   LEU  23          1HB       LEU  23  -3.729   2.549  -6.114
  173   2HB   LEU  23          2HB       LEU  23  -3.999   4.282  -5.777
  174    HG   LEU  23           HG       LEU  23  -5.180   3.214  -3.606
  175   1HD1  LEU  23          3HD1      LEU  23  -4.263   0.933  -4.662
  176   2HD1  LEU  23          1HD1      LEU  23  -2.789   1.444  -3.801
  177   3HD1  LEU  23          2HD1      LEU  23  -4.314   1.225  -2.905
  178   1HD2  LEU  23          2HD2      LEU  23  -3.106   4.808  -4.106
  179   2HD2  LEU  23          1HD2      LEU  23  -3.402   4.121  -2.488
  180   3HD2  LEU  23          3HD2      LEU  23  -2.196   3.373  -3.567
  181    H    CYS  24           H        CYS  24  -4.278   4.192  -7.964
  182    HA   CYS  24           HA       CYS  24  -4.926   2.088  -9.915
  183   1HB   CYS  24          1HB       CYS  24  -6.014   4.220 -10.674
  184   2HB   CYS  24          2HB       CYS  24  -4.381   4.935 -10.783
  185    H    GLY  25           H        GLY  25  -3.182   0.920 -10.068
  186   1HA   GLY  25          2HA       GLY  25  -0.486   1.763  -9.435
  187   2HA   GLY  25          1HA       GLY  25  -0.973   0.295 -10.322
  188    H    SER  26           H        SER  26   1.160   2.288 -10.863
  189    HA   SER  26           HA       SER  26   0.260   3.459 -13.403
  190   1HB   SER  26          2HB       SER  26   1.965   4.362 -11.454
  191   2HB   SER  26          1HB       SER  26   3.091   3.743 -12.697
  192    HG   SER  26           HG       SER  26   2.466   5.083 -14.184
  193    H    ASP  27           H        ASP  27   0.364   0.593 -13.210
  194    HA   ASP  27           HA       ASP  27   2.405   0.119 -15.304
  195   1HB   ASP  27          1HB       ASP  27   2.362  -2.188 -14.777
  196   2HB   ASP  27          2HB       ASP  27   2.593  -1.248 -13.276
  197    H    ASN  28           H        ASN  28  -1.023  -0.198 -14.511
  198    HA   ASN  28           HA       ASN  28  -1.973   0.179 -16.979
  199   1HB   ASN  28          1HB       ASN  28  -2.749  -2.287 -17.548
  200   2HB   ASN  28          2HB       ASN  28  -1.264  -1.539 -18.201
  201   1HD2  ASN  28          1HD2      ASN  28  -0.795  -4.230 -15.086
  202   2HD2  ASN  28          2HD2      ASN  28  -1.960  -2.952 -14.973
  203    H    LYS  29           H        LYS  29  -2.262  -1.391 -13.925
  204    HA   LYS  29           HA       LYS  29  -5.161  -1.818 -14.315
  205   1HB   LYS  29          1HB       LYS  29  -4.909  -3.494 -12.540
  206   2HB   LYS  29          2HB       LYS  29  -3.801  -3.791 -13.909
  207   1HG   LYS  29          2HG       LYS  29  -2.252  -2.257 -12.216
  208   2HG   LYS  29          1HG       LYS  29  -3.216  -3.235 -11.073
  209   1HD   LYS  29          1HD       LYS  29  -1.357  -4.158 -13.273
  210   2HD   LYS  29          2HD       LYS  29  -1.153  -4.330 -11.551
  211   1HE   LYS  29          1HE       LYS  29  -2.131  -6.290 -11.584
  212   2HE   LYS  29          2HE       LYS  29  -3.629  -5.510 -12.163
  213   1HZ   LYS  29          3HZ       LYS  29  -1.444  -6.365 -13.790
  214   2HZ   LYS  29          1HZ       LYS  29  -2.822  -7.193 -13.542
  215   3HZ   LYS  29          2HZ       LYS  29  -2.897  -5.746 -14.279
  216    H    THR  30           H        THR  30  -6.614  -1.587 -12.542
  217    HA   THR  30           HA       THR  30  -5.925   0.374 -10.447
  218    HB   THR  30           HB       THR  30  -8.470  -1.239 -11.028
  219    HG1  THR  30           HG1      THR  30  -9.235   0.536 -11.453
  220   1HG2  THR  30          2HG2      THR  30  -7.723  -0.352  -8.498
  221   2HG2  THR  30          1HG2      THR  30  -8.803   0.924  -9.116
  222   3HG2  THR  30          3HG2      THR  30  -9.367  -0.764  -9.049
  223    OH   TYR  31           OH       TYR  31   0.525  -3.908 -10.112
  224    H    TYR  31           H        TYR  31  -5.446  -0.167  -8.389
  225    HA   TYR  31           HA       TYR  31  -4.848  -3.051  -7.917
  226   1HB   TYR  31          2HB       TYR  31  -3.526  -0.518  -6.984
  227   2HB   TYR  31          1HB       TYR  31  -3.526  -1.947  -5.910
  228    HD1  TYR  31           HD2      TYR  31  -2.719  -4.173  -7.020
  229    HD2  TYR  31           HD1      TYR  31  -1.863  -0.339  -8.647
  230    HE1  TYR  31           HE2      TYR  31  -0.959  -5.167  -8.414
  231    HE2  TYR  31           HE1      TYR  31  -0.011  -1.300  -9.948
  232    HH   TYR  31           HH       TYR  31   0.419  -3.372 -11.054
  233    H    GLY  32           H        GLY  32  -5.914  -4.088  -6.384
  234   1HA   GLY  32          2HA       GLY  32  -8.257  -3.134  -5.271
  235   2HA   GLY  32          1HA       GLY  32  -7.364  -4.544  -4.641
  236    H    ASN  33           H        ASN  33  -5.518  -4.059  -3.170
  237    HA   ASN  33           HA       ASN  33  -5.942  -1.534  -1.669
  238   1HB   ASN  33          1HB       ASN  33  -5.318  -3.052   0.361
  239   2HB   ASN  33          2HB       ASN  33  -6.987  -2.941  -0.268
  240   1HD2  ASN  33          1HD2      ASN  33  -5.503  -6.516   0.264
  241   2HD2  ASN  33          2HD2      ASN  33  -5.010  -5.066   1.072
  242    H    LYS  34           H        LYS  34  -4.154  -1.042  -0.132
  243    HA   LYS  34           HA       LYS  34  -1.974  -0.417  -1.702
  244   1HB   LYS  34          1HB       LYS  34  -2.745   0.626   0.511
  245   2HB   LYS  34          2HB       LYS  34  -1.744  -0.625   1.303
  246   1HG   LYS  34          2HG       LYS  34  -0.160   0.601  -0.737
  247   2HG   LYS  34          1HG       LYS  34  -0.939   1.902   0.209
  248   1HD   LYS  34          1HD       LYS  34   0.586  -0.422   1.414
  249   2HD   LYS  34          2HD       LYS  34   1.341   1.076   0.940
  250   1HE   LYS  34          1HE       LYS  34   0.983   1.384   3.189
  251   2HE   LYS  34          2HE       LYS  34  -0.367   2.252   2.406
  252   1HZ   LYS  34          3HZ       LYS  34  -0.538  -0.449   3.283
  253   2HZ   LYS  34          1HZ       LYS  34  -0.856   0.814   4.256
  254   3HZ   LYS  34          2HZ       LYS  34  -1.741   0.621   2.905
  255    H    CYS  35           H        CYS  35  -2.542  -3.326   0.102
  256    HA   CYS  35           HA       CYS  35   0.105  -4.284   0.161
  257   1HB   CYS  35          1HB       CYS  35  -2.605  -5.575   0.236
  258   2HB   CYS  35          2HB       CYS  35  -1.129  -6.575   0.120
  259    H    ASN  36           H        ASN  36  -2.494  -5.259  -2.115
  260    HA   ASN  36           HA       ASN  36  -0.770  -6.592  -3.870
  261   1HB   ASN  36          1HB       ASN  36  -3.540  -5.499  -4.163
  262   2HB   ASN  36          2HB       ASN  36  -2.674  -6.203  -5.559
  263   1HD2  ASN  36          1HD2      ASN  36  -3.644  -8.624  -2.337
  264   2HD2  ASN  36          2HD2      ASN  36  -3.410  -6.923  -2.110
  265    H    PHE  37           H        PHE  37  -1.313  -3.219  -3.445
  266    HA   PHE  37           HA       PHE  37  -0.263  -2.309  -5.989
  267   1HB   PHE  37          1HB       PHE  37  -1.536  -0.760  -4.558
  268   2HB   PHE  37          2HB       PHE  37  -0.322  -0.938  -3.261
  269    HD1  PHE  37           HD1      PHE  37  -0.497  -0.150  -6.873
  270    HD2  PHE  37           HD2      PHE  37   1.274   0.834  -3.125
  271    HE1  PHE  37           HE1      PHE  37   0.844   1.583  -7.981
  272    HE2  PHE  37           HE2      PHE  37   2.796   2.425  -4.256
  273    HZ   PHE  37           HZ       PHE  37   2.588   2.774  -6.701
  274    H    CYS  38           H        CYS  38   1.141  -2.337  -2.692
  275    HA   CYS  38           HA       CYS  38   3.574  -1.404  -3.599
  276   1HB   CYS  38          1HB       CYS  38   2.858  -2.825  -1.029
  277   2HB   CYS  38          2HB       CYS  38   4.440  -2.054  -1.333
  278    H    ASN  39           H        ASN  39   2.444  -4.671  -3.513
  279    HA   ASN  39           HA       ASN  39   5.142  -5.849  -3.441
  280   1HB   ASN  39          1HB       ASN  39   3.797  -7.989  -3.928
  281   2HB   ASN  39          2HB       ASN  39   3.758  -7.250  -2.301
  282   1HD2  ASN  39          1HD2      ASN  39   0.296  -7.359  -2.266
  283   2HD2  ASN  39          2HD2      ASN  39   1.808  -7.465  -1.428
  284    H    ALA  40           H        ALA  40   2.753  -4.667  -5.631
  285    HA   ALA  40           HA       ALA  40   3.968  -5.739  -8.049
  286   1HB   ALA  40          2HB       ALA  40   1.617  -4.820  -7.812
  287   2HB   ALA  40          1HB       ALA  40   2.357  -3.201  -7.761
  288   3HB   ALA  40          3HB       ALA  40   2.570  -4.233  -9.199
  289    H    VAL  41           H        VAL  41   4.389  -2.979  -5.888
  290    HA   VAL  41           HA       VAL  41   6.205  -1.604  -7.560
  291    HB   VAL  41           HB       VAL  41   5.803  -1.448  -4.565
  292   1HG1  VAL  41          1HG1      VAL  41   7.409   0.250  -6.447
  293   2HG1  VAL  41          2HG1      VAL  41   6.630   0.980  -5.022
  294   3HG1  VAL  41          3HG1      VAL  41   7.809  -0.338  -4.816
  295   1HG2  VAL  41          1HG2      VAL  41   3.835  -1.025  -6.173
  296   2HG2  VAL  41          3HG2      VAL  41   4.188   0.181  -4.912
  297   3HG2  VAL  41          2HG2      VAL  41   4.696   0.476  -6.592
  298    H    VAL  42           H        VAL  42   6.770  -3.808  -4.809
  299    HA   VAL  42           HA       VAL  42   9.570  -3.455  -4.853
  300    HB   VAL  42           HB       VAL  42   9.688  -5.271  -3.290
  301   1HG1  VAL  42          2HG1      VAL  42   8.193  -2.969  -2.896
  302   2HG1  VAL  42          3HG1      VAL  42   7.168  -4.264  -2.231
  303   3HG1  VAL  42          1HG1      VAL  42   8.835  -4.054  -1.639
  304   1HG2  VAL  42          3HG2      VAL  42   6.978  -6.004  -4.339
  305   2HG2  VAL  42          1HG2      VAL  42   8.407  -7.022  -4.037
  306   3HG2  VAL  42          2HG2      VAL  42   7.436  -6.424  -2.670
  307    H    GLU  43           H        GLU  43   7.512  -5.975  -6.297
  308    HA   GLU  43           HA       GLU  43   9.455  -7.384  -7.733
  309   1HB   GLU  43          1HB       GLU  43   6.651  -6.496  -8.403
  310   2HB   GLU  43          2HB       GLU  43   7.576  -7.402  -9.463
  311   1HG   GLU  43          1HG       GLU  43   5.829  -8.408  -7.880
  312   2HG   GLU  43          2HG       GLU  43   7.202  -9.336  -8.547
  313    H    SER  44           H        SER  44   8.085  -4.177  -8.276
  314    HA   SER  44           HA       SER  44   8.780  -4.008 -11.035
  315   1HB   SER  44          2HB       SER  44   7.264  -2.502  -9.223
  316   2HB   SER  44          1HB       SER  44   8.572  -1.417  -9.772
  317    HG   SER  44           HG       SER  44   6.611  -2.935 -11.273
  318    H    ASN  45           H        ASN  45  10.397  -3.035  -8.049
  319    HA   ASN  45           HA       ASN  45  12.405  -2.063  -7.613
  320   1HB   ASN  45          1HB       ASN  45  13.014  -3.610  -9.816
  321   2HB   ASN  45          2HB       ASN  45  13.583  -1.975 -10.262
  322   1HD2  ASN  45          1HD2      ASN  45  16.014  -1.782  -7.623
  323   2HD2  ASN  45          2HD2      ASN  45  14.884  -0.828  -8.524
  324    H    GLY  46           H        GLY  46   9.930  -0.802  -8.589
  325   1HA   GLY  46          2HA       GLY  46   9.332   1.410  -8.358
  326   2HA   GLY  46          1HA       GLY  46  11.062   1.843  -8.412
  327    H    THR  47           H        THR  47   9.203   0.021 -10.839
  328    HA   THR  47           HA       THR  47   9.437   2.321 -12.717
  329    HB   THR  47           HB       THR  47  10.352   0.077 -13.526
  330    HG1  THR  47           HG1      THR  47   9.949   1.498 -14.720
  331   1HG2  THR  47          2HG2      THR  47   7.457  -0.708 -13.255
  332   2HG2  THR  47          1HG2      THR  47   8.511  -1.450 -14.486
  333   3HG2  THR  47          3HG2      THR  47   8.919  -1.598 -12.758
  334    H    LEU  48           H        LEU  48   7.289   0.124 -11.006
  335    HA   LEU  48           HA       LEU  48   4.868   0.796 -12.454
  336   1HB   LEU  48          1HB       LEU  48   4.850  -1.266 -11.457
  337   2HB   LEU  48          2HB       LEU  48   5.661  -0.683  -9.979
  338    HG   LEU  48           HG       LEU  48   3.223   0.625  -9.902
  339   1HD1  LEU  48          1HD1      LEU  48   2.978  -1.849 -11.502
  340   2HD1  LEU  48          2HD1      LEU  48   1.837  -1.697 -10.141
  341   3HD1  LEU  48          3HD1      LEU  48   1.906  -0.430 -11.392
  342   1HD2  LEU  48          2HD2      LEU  48   4.623  -0.785  -8.221
  343   2HD2  LEU  48          1HD2      LEU  48   2.856  -0.673  -8.015
  344   3HD2  LEU  48          3HD2      LEU  48   3.579  -2.129  -8.747
  345    H    THR  49           H        THR  49   5.208   1.230  -8.969
  346    HA   THR  49           HA       THR  49   4.904   3.024  -7.583
  347    HB   THR  49           HB       THR  49   5.298   5.049  -9.780
  348    HG1  THR  49           HG1      THR  49   7.187   3.341  -8.784
  349   1HG2  THR  49          3HG2      THR  49   6.315   4.717  -6.965
  350   2HG2  THR  49          2HG2      THR  49   7.046   5.881  -8.099
  351   3HG2  THR  49          1HG2      THR  49   5.319   6.013  -7.677
  352    H    LEU  50           H        LEU  50   3.539   4.935  -7.171
  353    HA   LEU  50           HA       LEU  50   0.891   4.166  -8.066
  354   1HB   LEU  50          1HB       LEU  50   1.143   4.377  -5.779
  355   2HB   LEU  50          2HB       LEU  50   2.093   5.884  -5.911
  356    HG   LEU  50           HG       LEU  50  -0.172   6.882  -6.777
  357   1HD1  LEU  50          2HD1      LEU  50  -1.370   4.737  -6.837
  358   2HD1  LEU  50          3HD1      LEU  50  -1.087   4.529  -5.091
  359   3HD1  LEU  50          1HD1      LEU  50  -2.107   5.867  -5.675
  360   1HD2  LEU  50          3HD2      LEU  50   1.269   7.002  -4.506
  361   2HD2  LEU  50          1HD2      LEU  50  -0.285   7.846  -4.723
  362   3HD2  LEU  50          2HD2      LEU  50  -0.232   6.286  -3.864
  363    H    SER  51           H        SER  51  -0.405   5.158  -9.428
  364    HA   SER  51           HA       SER  51   0.434   7.655 -10.657
  365   1HB   SER  51          1HB       SER  51  -0.477   5.774 -11.963
  366   2HB   SER  51          2HB       SER  51  -2.058   6.004 -11.164
  367    HG   SER  51           HG       SER  51  -0.843   7.248 -13.301
  368    H    HIS  52           H        HIS  52  -2.428   6.532  -8.823
  369    HA   HIS  52           HA       HIS  52  -2.522   8.957  -7.251
  370   1HB   HIS  52          1HB       HIS  52  -4.761   9.714  -8.057
  371   2HB   HIS  52          2HB       HIS  52  -3.451   9.975  -9.245
  372    HD1  HIS  52           HD1      HIS  52  -6.799   9.258  -9.523
  373    HD2  HIS  52           HD2      HIS  52  -3.501   6.900 -10.470
  374    HE1  HIS  52           HE1      HIS  52  -7.627   7.461 -11.062
  375    HE2  HIS  52           HE2      HIS  52  -5.594   6.167 -11.806
  376    H    PHE  53           H        PHE  53  -4.069   8.874  -5.626
  377    HA   PHE  53           HA       PHE  53  -4.969   6.183  -4.931
  378   1HB   PHE  53          1HB       PHE  53  -5.513   8.816  -3.490
  379   2HB   PHE  53          2HB       PHE  53  -5.879   7.175  -2.886
  380    HD1  PHE  53           HD2      PHE  53  -2.869   9.110  -4.183
  381    HD2  PHE  53           HD1      PHE  53  -4.404   6.057  -1.645
  382    HE1  PHE  53           HE2      PHE  53  -0.693   9.002  -3.010
  383    HE2  PHE  53           HE1      PHE  53  -2.228   5.859  -0.530
  384    HZ   PHE  53           HZ       PHE  53  -0.402   7.404  -1.136
  385    H    GLY  54           H        GLY  54  -7.170   5.706  -4.366
  386   1HA   GLY  54          2HA       GLY  54  -9.428   5.530  -4.994
  387   2HA   GLY  54          1HA       GLY  54  -9.293   7.065  -5.894
  388    H    LYS  55           H        LYS  55 -10.541   4.894  -7.029
  389    HA   LYS  55           HA       LYS  55  -8.869   3.277  -8.693
  390   1HB   LYS  55          1HB       LYS  55 -11.674   4.240  -9.332
  391   2HB   LYS  55          2HB       LYS  55 -10.821   2.819  -9.997
  392   1HG   LYS  55          2HG       LYS  55 -10.802   2.451  -7.206
  393   2HG   LYS  55          1HG       LYS  55 -12.439   3.055  -7.591
  394   1HD   LYS  55          1HD       LYS  55 -11.007   0.615  -8.657
  395   2HD   LYS  55          2HD       LYS  55 -12.414   0.672  -7.632
  396   1HE   LYS  55          1HE       LYS  55 -12.206   1.309 -10.549
  397   2HE   LYS  55          2HE       LYS  55 -13.254   0.137  -9.706
  398   1HZ   LYS  55          2HZ       LYS  55 -14.209   2.044  -8.663
  399   2HZ   LYS  55          3HZ       LYS  55 -13.412   2.975  -9.775
  400   3HZ   LYS  55          1HZ       LYS  55 -14.506   1.870 -10.252
  401    H    CYS  56           H        CYS  56  -9.399   3.512 -11.211
  402    HA   CYS  56           HA       CYS  56  -7.448   5.525 -11.650
  403   1HB   CYS  56          1HB       CYS  56  -7.809   3.026 -12.530
  404   2HB   CYS  56          2HB       CYS  56  -8.503   3.899 -13.925
   
  Start of MODEL           3
 Raw file had 404 H/Q atoms
  Start of MODEL    3
    1   1H    LEU   1          1H        LEU   1   5.669  18.898  -1.109
    2   2H    LEU   1          3H        LEU   1   6.970  18.565  -2.040
    3   3H    LEU   1          2H        LEU   1   6.180  19.984  -2.218
    4    HA   LEU   1           HA       LEU   1   4.399  19.108  -3.262
    5   1HB   LEU   1          2HB       LEU   1   6.287  19.153  -4.695
    6   2HB   LEU   1          1HB       LEU   1   6.952  17.654  -3.986
    7    HG   LEU   1           HG       LEU   1   4.975  16.443  -4.981
    8   1HD1  LEU   1          3HD2      LEU   1   3.653  18.570  -5.239
    9   2HD1  LEU   1          1HD2      LEU   1   4.729  19.000  -6.592
   10   3HD1  LEU   1          2HD2      LEU   1   3.709  17.543  -6.693
   11   1HD2  LEU   1          3HD1      LEU   1   6.859  17.894  -6.869
   12   2HD2  LEU   1          1HD1      LEU   1   7.204  16.380  -5.994
   13   3HD2  LEU   1          2HD1      LEU   1   5.935  16.417  -7.245
   14    H    ALA   2           H        ALA   2   2.835  18.129  -2.146
   15    HA   ALA   2           HA       ALA   2   3.118  15.578  -0.834
   16   1HB   ALA   2          3HB       ALA   2   0.884  17.452  -1.484
   17   2HB   ALA   2          1HB       ALA   2   0.497  15.767  -1.057
   18   3HB   ALA   2          2HB       ALA   2   1.415  16.785   0.080
   19    H    ALA   3           H        ALA   3   0.687  16.242  -3.332
   20    HA   ALA   3           HA       ALA   3   0.134  15.191  -5.294
   21   1HB   ALA   3          2HB       ALA   3   2.754  15.737  -5.484
   22   2HB   ALA   3          3HB       ALA   3   2.817  13.961  -5.600
   23   3HB   ALA   3          1HB       ALA   3   1.828  14.894  -6.751
   24    H    VAL   4           H        VAL   4   0.975  12.811  -6.431
   25    HA   VAL   4           HA       VAL   4  -0.307  10.981  -4.486
   26    HB   VAL   4           HB       VAL   4  -1.376   9.942  -6.357
   27   1HG1  VAL   4          3HG1      VAL   4  -2.459  11.931  -5.432
   28   2HG1  VAL   4          1HG1      VAL   4  -1.603  12.954  -6.611
   29   3HG1  VAL   4          2HG1      VAL   4  -2.793  11.754  -7.172
   30   1HG2  VAL   4          2HG2      VAL   4   0.582  11.482  -7.964
   31   2HG2  VAL   4          1HG2      VAL   4  -0.103   9.859  -8.216
   32   3HG2  VAL   4          3HG2      VAL   4  -1.053  11.302  -8.643
   33    H    SER   5           H        SER   5   2.053  10.747  -3.804
   34    HA   SER   5           HA       SER   5   2.986   8.269  -5.149
   35   1HB   SER   5          1HB       SER   5   5.283   8.781  -4.290
   36   2HB   SER   5          2HB       SER   5   4.720   9.803  -5.643
   37    HG   SER   5           HG       SER   5   5.525  10.365  -3.050
   38    H    VAL   6           H        VAL   6   4.651   7.258  -3.372
   39    HA   VAL   6           HA       VAL   6   3.343   7.137  -0.745
   40    HB   VAL   6           HB       VAL   6   2.984   4.604  -1.230
   41   1HG1  VAL   6          2HG1      VAL   6   1.294   6.718  -0.985
   42   2HG1  VAL   6          3HG1      VAL   6   0.820   6.084  -2.579
   43   3HG1  VAL   6          1HG1      VAL   6   0.785   5.020  -1.152
   44   1HG2  VAL   6          2HG2      VAL   6   3.133   5.748  -3.994
   45   2HG2  VAL   6          3HG2      VAL   6   3.737   4.200  -3.358
   46   3HG2  VAL   6          1HG2      VAL   6   1.994   4.427  -3.640
   47    H    ASP   7           H        ASP   7   4.199   4.805   0.182
   48    HA   ASP   7           HA       ASP   7   7.136   5.145   0.163
   49   1HB   ASP   7          1HB       ASP   7   5.535   5.508   2.674
   50   2HB   ASP   7          2HB       ASP   7   7.223   5.975   2.316
   51    H    CYS   8           H        CYS   8   7.312   3.032  -0.551
   52    HA   CYS   8           HA       CYS   8   6.254   0.951   1.300
   53   1HB   CYS   8          1HB       CYS   8   6.299   0.863  -1.727
   54   2HB   CYS   8          2HB       CYS   8   5.725  -0.418  -0.624
   55    H    SER   9           H        SER   9   8.803   1.974   1.567
   56    HA   SER   9           HA       SER   9  10.586   0.122   0.209
   57   1HB   SER   9          1HB       SER   9  12.367   1.412   1.080
   58   2HB   SER   9          2HB       SER   9  11.092   2.551   0.562
   59    HG   SER   9           HG       SER   9  10.747   3.244   2.467
   60    H    GLU  10           H        GLU  10   9.356  -1.690   1.301
   61    HA   GLU  10           HA       GLU  10  10.721  -2.883   3.402
   62   1HB   GLU  10          1HB       GLU  10   9.331  -0.766   4.385
   63   2HB   GLU  10          2HB       GLU  10   8.116  -1.912   4.391
   64   1HG   GLU  10          1HG       GLU  10   8.561  -2.435   6.321
   65   2HG   GLU  10          2HG       GLU  10  10.058  -3.240   5.775
   66    OH   TYR  11           OH       TYR  11   2.059  -0.571   3.004
   67    H    TYR  11           H        TYR  11   7.652  -2.309   1.772
   68    HA   TYR  11           HA       TYR  11   6.487  -4.840   1.937
   69   1HB   TYR  11          2HB       TYR  11   6.586  -2.871  -0.374
   70   2HB   TYR  11          1HB       TYR  11   5.556  -4.330  -0.343
   71    HD1  TYR  11           HD2      TYR  11   6.164  -1.044   1.252
   72    HD2  TYR  11           HD1      TYR  11   3.470  -4.309   0.851
   73    HE1  TYR  11           HE2      TYR  11   4.438   0.248   2.422
   74    HE2  TYR  11           HE1      TYR  11   1.748  -3.046   2.067
   75    HH   TYR  11           HH       TYR  11   1.664   0.067   2.217
   76    HA   PRO  12           HA       PRO  12   5.268  -6.024   0.289
   77   1HB   PRO  12          1HB       PRO  12   5.268  -8.657  -0.492
   78   2HB   PRO  12          2HB       PRO  12   5.342  -7.312  -1.664
   79   1HG   PRO  12          2HG       PRO  12   7.359  -9.307  -1.082
   80   2HG   PRO  12          1HG       PRO  12   7.406  -7.999  -2.298
   81   1HD   PRO  12          1HD       PRO  12   8.606  -8.076   0.456
   82   2HD   PRO  12          2HD       PRO  12   9.115  -7.137  -0.976
   83    H    LYS  13           H        LYS  13   3.975  -6.833   1.798
   84    HA   LYS  13           HA       LYS  13   5.570  -7.178   4.255
   85   1HB   LYS  13          1HB       LYS  13   2.871  -5.961   3.643
   86   2HB   LYS  13          2HB       LYS  13   3.387  -6.334   5.313
   87   1HG   LYS  13          1HG       LYS  13   5.526  -4.938   4.621
   88   2HG   LYS  13          2HG       LYS  13   4.415  -4.255   3.400
   89   1HD   LYS  13          1HD       LYS  13   3.701  -2.836   4.912
   90   2HD   LYS  13          2HD       LYS  13   2.921  -4.185   5.693
   91   1HE   LYS  13          2HE       LYS  13   5.783  -3.597   6.286
   92   2HE   LYS  13          1HE       LYS  13   4.493  -2.626   7.048
   93   1HZ   LYS  13          1HZ       LYS  13   4.708  -5.478   7.101
   94   2HZ   LYS  13          2HZ       LYS  13   5.177  -4.462   8.280
   95   3HZ   LYS  13          3HZ       LYS  13   3.586  -4.558   7.837
   96    HA   PRO  14           HA       PRO  14   3.578 -11.114   5.481
   97   1HB   PRO  14          2HB       PRO  14   2.877 -10.007   8.071
   98   2HB   PRO  14          1HB       PRO  14   4.232 -11.101   7.677
   99   1HG   PRO  14          2HG       PRO  14   4.222  -8.151   8.050
  100   2HG   PRO  14          1HG       PRO  14   5.569  -9.315   8.196
  101   1HD   PRO  14          1HD       PRO  14   5.433  -7.565   6.109
  102   2HD   PRO  14          2HD       PRO  14   6.040  -9.228   5.856
  103    H    ALA  15           H        ALA  15   1.610  -8.533   6.885
  104    HA   ALA  15           HA       ALA  15  -0.616 -10.366   6.265
  105   1HB   ALA  15          3HB       ALA  15  -0.137  -8.271   8.393
  106   2HB   ALA  15          2HB       ALA  15  -1.690  -9.119   8.177
  107   3HB   ALA  15          1HB       ALA  15  -0.219 -10.041   8.579
  108    H    CYS  16           H        CYS  16  -1.638  -9.835   4.457
  109    HA   CYS  16           HA       CYS  16  -3.478  -7.680   4.916
  110   1HB   CYS  16          1HB       CYS  16  -1.644  -7.572   2.551
  111   2HB   CYS  16          2HB       CYS  16  -3.359  -7.132   2.322
  112    H    THR  17           H        THR  17  -5.457  -8.327   4.440
  113    HA   THR  17           HA       THR  17  -5.582 -11.157   3.557
  114    HB   THR  17           HB       THR  17  -7.987 -10.730   4.830
  115    HG1  THR  17           HG1      THR  17  -7.809  -9.522   6.296
  116   1HG2  THR  17          2HG2      THR  17  -5.346 -11.509   6.079
  117   2HG2  THR  17          1HG2      THR  17  -6.905 -11.610   6.935
  118   3HG2  THR  17          3HG2      THR  17  -6.634 -12.574   5.461
  119    H    LEU  18           H        LEU  18  -6.652 -11.741   1.830
  120    HA   LEU  18           HA       LEU  18  -8.143  -9.613   0.383
  121   1HB   LEU  18          1HB       LEU  18  -6.740 -11.940  -0.904
  122   2HB   LEU  18          2HB       LEU  18  -7.097 -10.314  -1.553
  123    HG   LEU  18           HG       LEU  18  -4.957 -11.047   0.462
  124   1HD1  LEU  18          1HD1      LEU  18  -5.053 -10.652  -2.468
  125   2HD1  LEU  18          3HD1      LEU  18  -3.748  -9.782  -1.622
  126   3HD1  LEU  18          2HD1      LEU  18  -3.889 -11.550  -1.461
  127   1HD2  LEU  18          1HD2      LEU  18  -6.240  -8.500  -0.354
  128   2HD2  LEU  18          3HD2      LEU  18  -5.382  -8.932   1.148
  129   3HD2  LEU  18          2HD2      LEU  18  -4.458  -8.496  -0.312
  130   1H    GLU  19          1H        GLU  19  -6.366  -3.943   2.926
  131   2H    GLU  19          2H        GLU  19  -7.007  -2.821   3.924
  132   3H    GLU  19          3H        GLU  19  -6.760  -4.344   4.461
  133    HA   GLU  19           HA       GLU  19  -8.489  -5.251   3.321
  134   1HB   GLU  19          1HB       GLU  19 -10.338  -3.894   3.921
  135   2HB   GLU  19          2HB       GLU  19  -9.161  -3.953   5.107
  136   1HG   GLU  19          1HG       GLU  19  -8.425  -1.805   4.773
  137   2HG   GLU  19          2HG       GLU  19  -9.558  -1.540   3.417
  138    OH   TYR  20           OH       TYR  20 -12.500  -1.741  -5.569
  139    H    TYR  20           H        TYR  20 -10.566  -3.736   2.037
  140    HA   TYR  20           HA       TYR  20  -9.753  -4.333  -0.564
  141   1HB   TYR  20          1HB       TYR  20 -12.074  -4.483  -0.032
  142   2HB   TYR  20          2HB       TYR  20 -12.149  -2.769   0.467
  143    HD1  TYR  20           HD2      TYR  20 -11.378  -4.857  -2.540
  144    HD2  TYR  20           HD1      TYR  20 -12.726  -1.096  -1.084
  145    HE1  TYR  20           HE2      TYR  20 -11.587  -4.047  -4.847
  146    HE2  TYR  20           HE1      TYR  20 -12.809  -0.236  -3.387
  147    HH   TYR  20           HH       TYR  20 -13.575  -1.778  -5.735
  148    NH1  ARG  21           NH1      ARG  21 -12.458   2.478   2.106
  149    NH2  ARG  21           NH2      ARG  21 -13.175   0.796   3.497
  150    H    ARG  21           H        ARG  21 -10.138  -1.145   0.977
  151    HA   ARG  21           HA       ARG  21 -10.728   0.200  -1.294
  152   1HB   ARG  21          1HB       ARG  21  -9.947   2.310  -0.161
  153   2HB   ARG  21          2HB       ARG  21 -11.093   1.298   0.760
  154   1HG   ARG  21          1HG       ARG  21  -8.795   0.341   1.766
  155   2HG   ARG  21          2HG       ARG  21  -8.244   1.980   1.321
  156   1HD   ARG  21          1HD       ARG  21  -9.029   1.919   3.603
  157   2HD   ARG  21          2HD       ARG  21 -10.087   2.943   2.592
  158    HE   ARG  21           HE       ARG  21 -10.757   0.302   3.743
  159   1HH1  ARG  21          2HH1      ARG  21 -11.717   2.946   1.620
  160   2HH1  ARG  21          1HH1      ARG  21 -13.410   2.693   1.887
  161   1HH2  ARG  21          2HH2      ARG  21 -12.976   0.045   4.126
  162   2HH2  ARG  21          1HH2      ARG  21 -14.123   1.035   3.285
  163    HA   PRO  22           HA       PRO  22  -7.175   0.037  -3.737
  164   1HB   PRO  22          1HB       PRO  22  -8.933   0.487  -5.752
  165   2HB   PRO  22          2HB       PRO  22  -9.282  -0.760  -4.521
  166   1HG   PRO  22          1HG       PRO  22 -10.614   1.819  -4.991
  167   2HG   PRO  22          2HG       PRO  22 -11.142   0.441  -3.985
  168   1HD   PRO  22          1HD       PRO  22  -9.672   2.928  -3.218
  169   2HD   PRO  22          2HD       PRO  22 -10.684   1.869  -2.209
  170    H    LEU  23           H        LEU  23  -6.228   0.943  -5.724
  171    HA   LEU  23           HA       LEU  23  -6.475   3.863  -5.918
  172   1HB   LEU  23          1HB       LEU  23  -3.717   2.696  -6.088
  173   2HB   LEU  23          2HB       LEU  23  -4.238   4.370  -5.748
  174    HG   LEU  23           HG       LEU  23  -5.143   3.242  -3.522
  175   1HD1  LEU  23          2HD1      LEU  23  -4.136   1.010  -4.554
  176   2HD1  LEU  23          3HD1      LEU  23  -2.631   1.653  -3.850
  177   3HD1  LEU  23          1HD1      LEU  23  -4.047   1.361  -2.810
  178   1HD2  LEU  23          3HD2      LEU  23  -3.146   4.935  -4.234
  179   2HD2  LEU  23          2HD2      LEU  23  -3.459   4.410  -2.561
  180   3HD2  LEU  23          1HD2      LEU  23  -2.199   3.601  -3.527
  181    H    CYS  24           H        CYS  24  -4.541   4.195  -7.903
  182    HA   CYS  24           HA       CYS  24  -4.891   1.990  -9.791
  183   1HB   CYS  24          1HB       CYS  24  -6.421   3.792 -10.575
  184   2HB   CYS  24          2HB       CYS  24  -5.008   4.870 -10.722
  185    H    GLY  25           H        GLY  25  -2.987   1.366 -10.603
  186   1HA   GLY  25          2HA       GLY  25  -0.576   2.716  -9.477
  187   2HA   GLY  25          1HA       GLY  25  -0.642   1.046 -10.105
  188    H    SER  26           H        SER  26   1.328   2.205 -11.182
  189    HA   SER  26           HA       SER  26   0.441   3.069 -13.880
  190   1HB   SER  26          1HB       SER  26   2.642   3.658 -14.371
  191   2HB   SER  26          2HB       SER  26   2.372   4.235 -12.702
  192    HG   SER  26           HG       SER  26   4.393   3.326 -12.856
  193    H    ASP  27           H        ASP  27  -0.297   0.519 -12.926
  194    HA   ASP  27           HA       ASP  27   1.378  -1.245 -14.620
  195   1HB   ASP  27          1HB       ASP  27   0.424  -3.140 -13.570
  196   2HB   ASP  27          2HB       ASP  27   1.044  -2.034 -12.311
  197    H    ASN  28           H        ASN  28  -0.576   0.928 -15.321
  198    HA   ASN  28           HA       ASN  28  -2.469   1.341 -16.529
  199   1HB   ASN  28          2HB       ASN  28  -1.863  -1.219 -17.960
  200   2HB   ASN  28          1HB       ASN  28  -2.411   0.357 -18.599
  201   1HD2  ASN  28          1HD2      ASN  28   1.014   1.739 -17.869
  202   2HD2  ASN  28          2HD2      ASN  28  -0.555   2.006 -17.184
  203    H    LYS  29           H        LYS  29  -3.029  -0.025 -14.081
  204    HA   LYS  29           HA       LYS  29  -5.863  -0.416 -14.765
  205   1HB   LYS  29          1HB       LYS  29  -5.792  -2.575 -13.327
  206   2HB   LYS  29          2HB       LYS  29  -5.374  -2.645 -15.064
  207   1HG   LYS  29          2HG       LYS  29  -2.911  -2.236 -14.026
  208   2HG   LYS  29          1HG       LYS  29  -3.674  -3.090 -12.654
  209   1HD   LYS  29          1HD       LYS  29  -2.677  -4.768 -13.930
  210   2HD   LYS  29          2HD       LYS  29  -4.375  -4.843 -14.312
  211   1HE   LYS  29          1HE       LYS  29  -3.981  -4.607 -16.455
  212   2HE   LYS  29          2HE       LYS  29  -3.181  -3.044 -16.140
  213   1HZ   LYS  29          1HZ       LYS  29  -1.290  -4.377 -15.544
  214   2HZ   LYS  29          2HZ       LYS  29  -2.058  -5.658 -16.185
  215   3HZ   LYS  29          3HZ       LYS  29  -1.704  -4.338 -17.116
  216    H    THR  30           H        THR  30  -7.123  -0.909 -12.738
  217    HA   THR  30           HA       THR  30  -6.285   0.723 -10.453
  218    HB   THR  30           HB       THR  30  -8.571  -1.296 -10.423
  219    HG1  THR  30           HG1      THR  30  -8.841  -0.431 -12.087
  220   1HG2  THR  30          1HG2      THR  30  -8.071  -0.149  -8.324
  221   2HG2  THR  30          3HG2      THR  30  -8.272   1.427  -9.135
  222   3HG2  THR  30          2HG2      THR  30  -9.664   0.325  -8.970
  223    OH   TYR  31           OH       TYR  31   0.688  -3.490 -10.488
  224    H    TYR  31           H        TYR  31  -5.422  -0.001  -8.599
  225    HA   TYR  31           HA       TYR  31  -4.675  -2.876  -8.437
  226   1HB   TYR  31          1HB       TYR  31  -3.515  -0.365  -7.322
  227   2HB   TYR  31          2HB       TYR  31  -3.501  -1.803  -6.261
  228    HD1  TYR  31           HD2      TYR  31  -2.801  -4.029  -7.714
  229    HD2  TYR  31           HD1      TYR  31  -1.600  -0.050  -8.614
  230    HE1  TYR  31           HE2      TYR  31  -0.990  -4.902  -9.121
  231    HE2  TYR  31           HE1      TYR  31   0.269  -0.912  -9.957
  232    HH   TYR  31           HH       TYR  31   1.052  -4.380  -9.983
  233    H    GLY  32           H        GLY  32  -5.511  -4.159  -6.910
  234   1HA   GLY  32          1HA       GLY  32  -8.008  -3.655  -5.875
  235   2HA   GLY  32          2HA       GLY  32  -6.926  -4.925  -5.247
  236    H    ASN  33           H        ASN  33  -5.084  -3.962  -3.812
  237    HA   ASN  33           HA       ASN  33  -6.072  -1.659  -2.225
  238   1HB   ASN  33          1HB       ASN  33  -5.509  -2.902  -0.179
  239   2HB   ASN  33          2HB       ASN  33  -6.857  -3.591  -1.130
  240   1HD2  ASN  33          1HD2      ASN  33  -5.074  -6.548  -0.127
  241   2HD2  ASN  33          2HD2      ASN  33  -5.913  -5.259   0.673
  242    H    LYS  34           H        LYS  34  -4.382  -1.032  -0.516
  243    HA   LYS  34           HA       LYS  34  -2.151  -0.049  -1.760
  244   1HB   LYS  34          1HB       LYS  34  -2.979  -0.399   1.056
  245   2HB   LYS  34          2HB       LYS  34  -1.221  -0.211   0.802
  246   1HG   LYS  34          2HG       LYS  34  -2.529   1.745  -0.806
  247   2HG   LYS  34          1HG       LYS  34  -3.275   1.796   0.816
  248   1HD   LYS  34          1HD       LYS  34  -1.271   2.364   1.840
  249   2HD   LYS  34          2HD       LYS  34  -0.307   1.669   0.566
  250   1HE   LYS  34          1HE       LYS  34  -1.643   4.331   0.674
  251   2HE   LYS  34          2HE       LYS  34   0.037   3.895   0.260
  252   1HZ   LYS  34          1HZ       LYS  34  -0.948   2.800  -1.629
  253   2HZ   LYS  34          2HZ       LYS  34  -2.335   3.574  -1.279
  254   3HZ   LYS  34          3HZ       LYS  34  -0.958   4.425  -1.616
  255    H    CYS  35           H        CYS  35  -2.448  -3.116   0.001
  256    HA   CYS  35           HA       CYS  35   0.349  -3.569   0.204
  257   1HB   CYS  35          1HB       CYS  35  -2.123  -5.212   0.626
  258   2HB   CYS  35          2HB       CYS  35  -0.532  -6.021   0.567
  259    H    ASN  36           H        ASN  36  -2.108  -4.665  -2.112
  260    HA   ASN  36           HA       ASN  36  -0.196  -6.160  -3.681
  261   1HB   ASN  36          1HB       ASN  36  -3.070  -5.418  -4.019
  262   2HB   ASN  36          2HB       ASN  36  -2.119  -6.024  -5.406
  263   1HD2  ASN  36          1HD2      ASN  36  -2.393  -8.555  -2.141
  264   2HD2  ASN  36          2HD2      ASN  36  -2.238  -6.845  -1.904
  265    H    PHE  37           H        PHE  37  -1.079  -2.851  -3.387
  266    HA   PHE  37           HA       PHE  37  -0.077  -1.935  -5.948
  267   1HB   PHE  37          1HB       PHE  37  -1.503  -0.458  -4.583
  268   2HB   PHE  37          2HB       PHE  37  -0.277  -0.460  -3.283
  269    HD1  PHE  37           HD1      PHE  37  -0.764   0.302  -6.855
  270    HD2  PHE  37           HD2      PHE  37   1.440   1.236  -3.331
  271    HE1  PHE  37           HE1      PHE  37   0.471   2.016  -8.104
  272    HE2  PHE  37           HE2      PHE  37   2.826   2.837  -4.616
  273    HZ   PHE  37           HZ       PHE  37   2.360   3.182  -7.026
  274    H    CYS  38           H        CYS  38   1.282  -1.732  -2.632
  275    HA   CYS  38           HA       CYS  38   3.806  -0.930  -3.453
  276   1HB   CYS  38          1HB       CYS  38   3.054  -2.460  -0.952
  277   2HB   CYS  38          2HB       CYS  38   4.591  -1.593  -1.227
  278    H    ASN  39           H        ASN  39   2.427  -4.096  -3.552
  279    HA   ASN  39           HA       ASN  39   5.014  -5.490  -3.484
  280   1HB   ASN  39          1HB       ASN  39   2.251  -6.593  -4.004
  281   2HB   ASN  39          2HB       ASN  39   3.765  -7.523  -3.810
  282   1HD2  ASN  39          1HD2      ASN  39   1.832  -7.549  -0.605
  283   2HD2  ASN  39          2HD2      ASN  39   1.467  -7.974  -2.245
  284    H    ALA  40           H        ALA  40   2.630  -4.227  -5.714
  285    HA   ALA  40           HA       ALA  40   3.795  -5.222  -8.141
  286   1HB   ALA  40          2HB       ALA  40   1.552  -4.111  -7.881
  287   2HB   ALA  40          3HB       ALA  40   2.418  -2.561  -7.724
  288   3HB   ALA  40          1HB       ALA  40   2.560  -3.512  -9.223
  289    H    VAL  41           H        VAL  41   4.535  -2.586  -5.914
  290    HA   VAL  41           HA       VAL  41   6.443  -1.381  -7.675
  291    HB   VAL  41           HB       VAL  41   6.094  -0.982  -4.697
  292   1HG1  VAL  41          2HG1      VAL  41   7.698   0.383  -6.762
  293   2HG1  VAL  41          1HG1      VAL  41   6.751   1.454  -5.702
  294   3HG1  VAL  41          3HG1      VAL  41   7.912   0.303  -4.997
  295   1HG2  VAL  41          2HG2      VAL  41   4.055  -0.726  -6.373
  296   2HG2  VAL  41          1HG2      VAL  41   4.323   0.400  -5.020
  297   3HG2  VAL  41          3HG2      VAL  41   4.823   0.852  -6.668
  298    H    VAL  42           H        VAL  42   6.731  -3.472  -4.801
  299    HA   VAL  42           HA       VAL  42   9.568  -3.332  -4.814
  300    HB   VAL  42           HB       VAL  42   9.499  -4.909  -3.014
  301   1HG1  VAL  42          1HG1      VAL  42   8.015  -2.487  -3.039
  302   2HG1  VAL  42          3HG1      VAL  42   7.141  -3.651  -2.015
  303   3HG1  VAL  42          2HG1      VAL  42   8.848  -3.274  -1.677
  304   1HG2  VAL  42          3HG2      VAL  42   6.810  -5.603  -4.092
  305   2HG2  VAL  42          1HG2      VAL  42   8.097  -6.644  -3.436
  306   3HG2  VAL  42          2HG2      VAL  42   7.066  -5.701  -2.333
  307    H    GLU  43           H        GLU  43   7.282  -5.772  -6.013
  308    HA   GLU  43           HA       GLU  43   9.167  -7.517  -7.215
  309   1HB   GLU  43          1HB       GLU  43   6.374  -6.611  -7.894
  310   2HB   GLU  43          2HB       GLU  43   7.226  -7.630  -8.911
  311   1HG   GLU  43          1HG       GLU  43   5.782  -8.913  -7.842
  312   2HG   GLU  43          2HG       GLU  43   7.390  -9.361  -7.207
  313    H    SER  44           H        SER  44   8.131  -4.274  -8.004
  314    HA   SER  44           HA       SER  44   8.502  -4.404 -10.853
  315   1HB   SER  44          2HB       SER  44   7.606  -2.467  -8.952
  316   2HB   SER  44          1HB       SER  44   8.902  -1.745  -9.948
  317    HG   SER  44           HG       SER  44   7.816  -2.721 -11.835
  318    H    ASN  45           H        ASN  45  10.616  -4.065  -8.132
  319    HA   ASN  45           HA       ASN  45  12.876  -3.842  -7.956
  320   1HB   ASN  45          1HB       ASN  45  13.045  -3.820 -10.969
  321   2HB   ASN  45          2HB       ASN  45  14.380  -4.005  -9.796
  322   1HD2  ASN  45          1HD2      ASN  45  11.892  -7.152 -10.729
  323   2HD2  ASN  45          2HD2      ASN  45  11.533  -5.536 -11.239
  324    H    GLY  46           H        GLY  46  10.763  -1.819  -8.167
  325   1HA   GLY  46          1HA       GLY  46  10.573   0.492  -8.085
  326   2HA   GLY  46          2HA       GLY  46  12.346   0.615  -8.239
  327    H    THR  47           H        THR  47   9.296   0.224  -9.973
  328    HA   THR  47           HA       THR  47  10.342   1.974 -12.007
  329    HB   THR  47           HB       THR  47  10.976  -0.360 -12.877
  330    HG1  THR  47           HG1      THR  47   9.145   1.151 -14.233
  331   1HG2  THR  47          2HG2      THR  47   8.021  -0.697 -12.817
  332   2HG2  THR  47          1HG2      THR  47   8.903  -1.326 -14.233
  333   3HG2  THR  47          3HG2      THR  47   9.339  -1.876 -12.595
  334    H    LEU  48           H        LEU  48   7.707  -0.157 -10.921
  335    HA   LEU  48           HA       LEU  48   5.650   1.576 -11.973
  336   1HB   LEU  48          1HB       LEU  48   5.114  -0.664 -11.843
  337   2HB   LEU  48          2HB       LEU  48   5.792  -0.849 -10.203
  338    HG   LEU  48           HG       LEU  48   3.468   0.964 -10.396
  339   1HD1  LEU  48          3HD1      LEU  48   3.155  -1.108 -12.028
  340   2HD1  LEU  48          2HD1      LEU  48   2.822  -1.954 -10.495
  341   3HD1  LEU  48          1HD1      LEU  48   1.843  -0.541 -10.964
  342   1HD2  LEU  48          2HD2      LEU  48   4.821  -0.163  -8.402
  343   2HD2  LEU  48          1HD2      LEU  48   3.073   0.160  -8.290
  344   3HD2  LEU  48          3HD2      LEU  48   3.653  -1.479  -8.681
  345    H    THR  49           H        THR  49   4.061   2.684 -10.694
  346    HA   THR  49           HA       THR  49   4.539   3.472  -7.964
  347    HB   THR  49           HB       THR  49   6.445   4.702  -8.731
  348    HG1  THR  49           HG1      THR  49   5.955   6.466  -8.225
  349   1HG2  THR  49          1HG2      THR  49   5.888   4.618 -11.189
  350   2HG2  THR  49          2HG2      THR  49   4.824   6.022 -10.917
  351   3HG2  THR  49          3HG2      THR  49   6.574   6.155 -10.605
  352    H    LEU  50           H        LEU  50   3.146   5.306  -7.354
  353    HA   LEU  50           HA       LEU  50   0.565   4.498  -8.217
  354   1HB   LEU  50          1HB       LEU  50   0.849   4.852  -5.957
  355   2HB   LEU  50          2HB       LEU  50   1.727   6.388  -6.193
  356    HG   LEU  50           HG       LEU  50  -0.578   7.282  -7.011
  357   1HD1  LEU  50          2HD1      LEU  50  -1.265   4.702  -5.623
  358   2HD1  LEU  50          1HD1      LEU  50  -2.350   6.111  -5.496
  359   3HD1  LEU  50          3HD1      LEU  50  -1.965   5.423  -7.094
  360   1HD2  LEU  50          2HD2      LEU  50   0.877   7.469  -4.750
  361   2HD2  LEU  50          1HD2      LEU  50  -0.699   8.267  -4.973
  362   3HD2  LEU  50          3HD2      LEU  50  -0.601   6.721  -4.092
  363    H    SER  51           H        SER  51  -0.674   5.227  -9.762
  364    HA   SER  51           HA       SER  51  -0.228   7.737 -11.101
  365   1HB   SER  51          1HB       SER  51  -1.163   5.820 -12.265
  366   2HB   SER  51          2HB       SER  51  -2.609   5.861 -11.216
  367    HG   SER  51           HG       SER  51  -1.638   7.613 -13.281
  368    H    HIS  52           H        HIS  52  -2.664   6.541  -8.780
  369    HA   HIS  52           HA       HIS  52  -2.703   9.050  -7.382
  370   1HB   HIS  52          1HB       HIS  52  -5.166   9.513  -7.759
  371   2HB   HIS  52          2HB       HIS  52  -4.077   9.950  -9.107
  372    HD1  HIS  52           HD1      HIS  52  -7.321   8.806  -8.931
  373    HD2  HIS  52           HD2      HIS  52  -3.922   7.018 -10.540
  374    HE1  HIS  52           HE1      HIS  52  -8.127   7.132 -10.615
  375    HE2  HIS  52           HE2      HIS  52  -6.068   6.227 -11.760
  376    H    PHE  53           H        PHE  53  -4.480   9.060  -5.726
  377    HA   PHE  53           HA       PHE  53  -5.051   6.289  -4.805
  378   1HB   PHE  53          1HB       PHE  53  -5.464   8.845  -3.200
  379   2HB   PHE  53          2HB       PHE  53  -5.587   7.156  -2.629
  380    HD1  PHE  53           HD2      PHE  53  -3.024   9.530  -4.125
  381    HD2  PHE  53           HD1      PHE  53  -3.843   6.121  -1.707
  382    HE1  PHE  53           HE2      PHE  53  -0.768   9.707  -3.120
  383    HE2  PHE  53           HE1      PHE  53  -1.516   6.104  -0.922
  384    HZ   PHE  53           HZ       PHE  53  -0.024   7.983  -1.502
  385    H    GLY  54           H        GLY  54  -6.713   5.788  -6.154
  386   1HA   GLY  54          1HA       GLY  54  -9.293   7.072  -5.645
  387   2HA   GLY  54          2HA       GLY  54  -8.675   7.302  -7.302
  388    H    LYS  55           H        LYS  55  -9.988   6.023  -8.459
  389    HA   LYS  55           HA       LYS  55  -9.523   3.144  -8.155
  390   1HB   LYS  55          1HB       LYS  55 -12.302   4.352  -8.367
  391   2HB   LYS  55          2HB       LYS  55 -11.916   2.656  -8.774
  392   1HG   LYS  55          1HG       LYS  55 -11.635   2.042  -6.578
  393   2HG   LYS  55          2HG       LYS  55 -11.103   3.671  -6.073
  394   1HD   LYS  55          1HD       LYS  55 -13.249   3.125  -5.102
  395   2HD   LYS  55          2HD       LYS  55 -13.317   4.512  -6.154
  396   1HE   LYS  55          1HE       LYS  55 -15.044   3.599  -7.158
  397   2HE   LYS  55          2HE       LYS  55 -13.893   2.428  -7.855
  398   1HZ   LYS  55          1HZ       LYS  55 -15.133   2.122  -5.303
  399   2HZ   LYS  55          2HZ       LYS  55 -15.769   1.566  -6.692
  400   3HZ   LYS  55          3HZ       LYS  55 -14.293   1.034  -6.172
  401    H    CYS  56           H        CYS  56  -8.399   5.106  -9.811
  402    HA   CYS  56           HA       CYS  56  -7.591   5.105 -11.927
  403   1HB   CYS  56          1HB       CYS  56  -7.892   2.574 -11.206
  404   2HB   CYS  56          2HB       CYS  56  -9.082   2.582 -12.539
   
  Start of MODEL           4
 Raw file had 404 H/Q atoms
  Start of MODEL    4
    1   1H    LEU   1          3H        LEU   1  -2.436  18.422  -2.065
    2   2H    LEU   1          2H        LEU   1  -3.993  17.930  -2.038
    3   3H    LEU   1          1H        LEU   1  -3.631  19.507  -1.819
    4    HA   LEU   1           HA       LEU   1  -2.688  19.191   0.242
    5   1HB   LEU   1          1HB       LEU   1  -4.599  18.616   1.425
    6   2HB   LEU   1          2HB       LEU   1  -5.224  19.118  -0.171
    7    HG   LEU   1           HG       LEU   1  -4.784  16.216   0.514
    8   1HD1  LEU   1          2HD2      LEU   1  -6.947  18.117   1.350
    9   2HD1  LEU   1          3HD2      LEU   1  -7.379  16.439   0.937
   10   3HD1  LEU   1          1HD2      LEU   1  -6.209  16.762   2.240
   11   1HD2  LEU   1          3HD1      LEU   1  -6.133  17.825  -1.599
   12   2HD2  LEU   1          2HD1      LEU   1  -5.293  16.258  -1.705
   13   3HD2  LEU   1          1HD1      LEU   1  -6.953  16.336  -1.064
   14    H    ALA   2           H        ALA   2  -2.986  16.348  -1.729
   15    HA   ALA   2           HA       ALA   2  -1.313  14.796   0.186
   16   1HB   ALA   2          3HB       ALA   2  -3.456  13.900  -1.110
   17   2HB   ALA   2          2HB       ALA   2  -2.251  13.641  -2.397
   18   3HB   ALA   2          1HB       ALA   2  -2.028  12.880  -0.801
   19    H    ALA   3           H        ALA   3  -0.053  13.219  -1.762
   20    HA   ALA   3           HA       ALA   3   1.063  14.962  -3.766
   21   1HB   ALA   3          3HB       ALA   3   2.669  15.369  -1.966
   22   2HB   ALA   3          2HB       ALA   3   2.960  13.616  -1.820
   23   3HB   ALA   3          1HB       ALA   3   3.410  14.474  -3.316
   24    H    VAL   4           H        VAL   4  -0.621  12.523  -3.260
   25    HA   VAL   4           HA       VAL   4  -1.077  10.570  -4.346
   26    HB   VAL   4           HB       VAL   4   0.634  11.859  -6.475
   27   1HG1  VAL   4          1HG1      VAL   4  -1.606   9.900  -6.459
   28   2HG1  VAL   4          2HG1      VAL   4  -1.571  11.103  -7.771
   29   3HG1  VAL   4          3HG1      VAL   4  -0.182  10.019  -7.520
   30   1HG2  VAL   4          3HG2      VAL   4  -1.770  12.907  -5.132
   31   2HG2  VAL   4          2HG2      VAL   4  -0.501  13.743  -6.059
   32   3HG2  VAL   4          1HG2      VAL   4  -1.828  12.915  -6.911
   33    H    SER   5           H        SER   5   1.351  10.457  -2.686
   34    HA   SER   5           HA       SER   5   2.898   8.418  -4.210
   35   1HB   SER   5          1HB       SER   5   4.911   9.277  -3.358
   36   2HB   SER   5          2HB       SER   5   3.988  10.681  -3.968
   37    HG   SER   5           HG       SER   5   3.461  11.370  -2.001
   38    H    VAL   6           H        VAL   6   4.112   6.911  -2.908
   39    HA   VAL   6           HA       VAL   6   2.749   6.232  -0.361
   40    HB   VAL   6           HB       VAL   6   2.941   4.365  -2.727
   41   1HG1  VAL   6          3HG1      VAL   6   2.628   3.541  -0.285
   42   2HG1  VAL   6          2HG1      VAL   6   0.963   4.141  -0.476
   43   3HG1  VAL   6          1HG1      VAL   6   1.589   2.886  -1.573
   44   1HG2  VAL   6          2HG2      VAL   6   0.753   6.300  -2.006
   45   2HG2  VAL   6          3HG2      VAL   6   1.538   6.015  -3.577
   46   3HG2  VAL   6          1HG2      VAL   6   0.421   4.802  -2.907
   47    H    ASP   7           H        ASP   7   4.167   5.735   1.098
   48    HA   ASP   7           HA       ASP   7   6.831   4.755   0.418
   49   1HB   ASP   7          1HB       ASP   7   6.226   6.281   2.381
   50   2HB   ASP   7          2HB       ASP   7   5.690   4.781   3.190
   51    H    CYS   8           H        CYS   8   7.357   2.767   0.044
   52    HA   CYS   8           HA       CYS   8   5.811   0.600   1.253
   53   1HB   CYS   8          1HB       CYS   8   6.195   0.687  -1.751
   54   2HB   CYS   8          2HB       CYS   8   5.486  -0.639  -0.788
   55    H    SER   9           H        SER   9   8.351   1.704   1.751
   56    HA   SER   9           HA       SER   9  10.259  -0.126   0.571
   57   1HB   SER   9          1HB       SER   9  10.372   2.416   1.688
   58   2HB   SER   9          2HB       SER   9  11.259   1.387   2.850
   59    HG   SER   9           HG       SER   9  11.626   1.902   0.030
   60    H    GLU  10           H        GLU  10   8.971  -2.006   1.392
   61    HA   GLU  10           HA       GLU  10  10.144  -3.298   3.539
   62   1HB   GLU  10          1HB       GLU  10   8.551  -1.327   4.515
   63   2HB   GLU  10          2HB       GLU  10   7.401  -2.518   4.296
   64   1HG   GLU  10          1HG       GLU  10   8.001  -2.360   6.500
   65   2HG   GLU  10          2HG       GLU  10   8.348  -3.997   5.876
   66    OH   TYR  11           OH       TYR  11   1.668  -1.240   2.733
   67    H    TYR  11           H        TYR  11   7.241  -2.716   1.630
   68    HA   TYR  11           HA       TYR  11   6.169  -5.283   1.524
   69   1HB   TYR  11          2HB       TYR  11   6.389  -3.169  -0.648
   70   2HB   TYR  11          1HB       TYR  11   5.391  -4.644  -0.777
   71    HD1  TYR  11           HD2      TYR  11   5.806  -1.433   1.006
   72    HD2  TYR  11           HD1      TYR  11   3.295  -4.823   0.471
   73    HE1  TYR  11           HE2      TYR  11   3.993  -0.265   2.177
   74    HE2  TYR  11           HE1      TYR  11   1.493  -3.691   1.701
   75    HH   TYR  11           HH       TYR  11   1.268  -1.997   3.407
   76    HA   PRO  12           HA       PRO  12   5.154  -6.370  -0.412
   77   1HB   PRO  12          1HB       PRO  12   5.287  -8.941  -1.297
   78   2HB   PRO  12          2HB       PRO  12   5.608  -7.564  -2.389
   79   1HG   PRO  12          2HG       PRO  12   7.452  -9.611  -1.408
   80   2HG   PRO  12          1HG       PRO  12   7.710  -8.378  -2.673
   81   1HD   PRO  12          1HD       PRO  12   8.523  -8.328   0.200
   82   2HD   PRO  12          2HD       PRO  12   9.156  -7.371  -1.168
   83    H    LYS  13           H        LYS  13   3.654  -7.481   0.777
   84    HA   LYS  13           HA       LYS  13   4.554  -7.303   3.471
   85   1HB   LYS  13          2HB       LYS  13   2.200  -6.824   2.257
   86   2HB   LYS  13          1HB       LYS  13   1.863  -8.454   2.904
   87   1HG   LYS  13          1HG       LYS  13   1.094  -6.699   4.441
   88   2HG   LYS  13          2HG       LYS  13   2.397  -7.676   5.173
   89   1HD   LYS  13          2HD       LYS  13   3.808  -5.681   3.998
   90   2HD   LYS  13          1HD       LYS  13   2.352  -4.824   4.420
   91   1HE   LYS  13          2HE       LYS  13   2.862  -4.800   6.576
   92   2HE   LYS  13          1HE       LYS  13   3.275  -6.537   6.586
   93   1HZ   LYS  13          2HZ       LYS  13   5.297  -5.967   5.646
   94   2HZ   LYS  13          3HZ       LYS  13   4.910  -4.361   5.719
   95   3HZ   LYS  13          1HZ       LYS  13   5.074  -5.236   7.081
   96    HA   PRO  14           HA       PRO  14   4.965 -11.710   4.743
   97   1HB   PRO  14          2HB       PRO  14   3.155 -11.250   6.966
   98   2HB   PRO  14          1HB       PRO  14   4.935 -11.368   7.004
   99   1HG   PRO  14          1HG       PRO  14   3.195  -8.958   7.000
  100   2HG   PRO  14          2HG       PRO  14   4.880  -9.146   7.559
  101   1HD   PRO  14          1HD       PRO  14   4.291  -7.751   5.295
  102   2HD   PRO  14          2HD       PRO  14   5.767  -8.759   5.381
  103    H    ALA  15           H        ALA  15   1.617 -10.715   5.323
  104    HA   ALA  15           HA       ALA  15   0.784 -11.925   2.886
  105   1HB   ALA  15          3HB       ALA  15   0.655 -13.588   5.337
  106   2HB   ALA  15          2HB       ALA  15  -0.814 -13.538   4.331
  107   3HB   ALA  15          1HB       ALA  15   0.734 -14.055   3.620
  108    H    CYS  16           H        CYS  16  -0.701 -10.554   2.282
  109    HA   CYS  16           HA       CYS  16  -1.622  -8.543   3.995
  110   1HB   CYS  16          1HB       CYS  16  -1.367  -8.510   1.465
  111   2HB   CYS  16          2HB       CYS  16  -2.978  -9.280   1.401
  112    H    THR  17           H        THR  17  -3.721  -7.951   4.669
  113    HA   THR  17           HA       THR  17  -5.551 -10.215   5.217
  114    HB   THR  17           HB       THR  17  -5.341  -9.432   7.747
  115    HG1  THR  17           HG1      THR  17  -3.627  -8.706   8.261
  116   1HG2  THR  17          3HG2      THR  17  -3.492 -11.279   6.278
  117   2HG2  THR  17          1HG2      THR  17  -3.226 -10.954   8.010
  118   3HG2  THR  17          2HG2      THR  17  -4.773 -11.646   7.460
  119    H    LEU  18           H        LEU  18  -7.563  -9.581   5.122
  120    HA   LEU  18           HA       LEU  18  -8.236  -6.993   4.367
  121   1HB   LEU  18          1HB       LEU  18  -9.392  -9.280   4.077
  122   2HB   LEU  18          2HB       LEU  18 -10.186  -8.914   5.635
  123    HG   LEU  18           HG       LEU  18 -10.454  -7.442   3.007
  124   1HD1  LEU  18          1HD2      LEU  18 -11.709  -9.651   3.872
  125   2HD1  LEU  18          3HD2      LEU  18 -12.722  -8.423   4.670
  126   3HD1  LEU  18          2HD2      LEU  18 -12.518  -8.397   2.900
  127   1HD2  LEU  18          1HD1      LEU  18 -11.079  -6.624   5.817
  128   2HD2  LEU  18          2HD1      LEU  18 -10.552  -5.641   4.428
  129   3HD2  LEU  18          3HD1      LEU  18 -12.239  -6.208   4.531
  130   1H    GLU  19          1H        GLU  19  -5.866  -4.373   3.565
  131   2H    GLU  19          3H        GLU  19  -6.183  -4.623   5.149
  132   3H    GLU  19          2H        GLU  19  -6.588  -5.757   4.044
  133    HA   GLU  19           HA       GLU  19  -8.582  -4.741   4.577
  134   1HB   GLU  19          1HB       GLU  19  -7.776  -2.933   5.774
  135   2HB   GLU  19          2HB       GLU  19  -6.678  -2.527   4.581
  136   1HG   GLU  19          1HG       GLU  19  -7.919  -0.766   4.651
  137   2HG   GLU  19          2HG       GLU  19  -8.552  -1.588   3.198
  138    OH   TYR  20           OH       TYR  20 -11.613  -2.029  -4.978
  139    H    TYR  20           H        TYR  20  -9.923  -3.156   3.022
  140    HA   TYR  20           HA       TYR  20  -8.904  -3.450   0.234
  141   1HB   TYR  20          1HB       TYR  20 -11.076  -4.605   0.552
  142   2HB   TYR  20          2HB       TYR  20 -11.788  -3.063   1.117
  143    HD1  TYR  20           HD1      TYR  20 -11.696  -1.070  -0.542
  144    HD2  TYR  20           HD2      TYR  20 -10.870  -5.062  -1.753
  145    HE1  TYR  20           HE1      TYR  20 -11.841  -0.380  -2.896
  146    HE2  TYR  20           HE2      TYR  20 -10.969  -4.375  -4.109
  147    HH   TYR  20           HH       TYR  20 -12.661  -1.757  -5.088
  148    NH1  ARG  21           NH1      ARG  21  -6.408   4.911   2.846
  149    NH2  ARG  21           NH2      ARG  21  -6.394   3.669   4.778
  150    H    ARG  21           H        ARG  21  -8.612  -1.657  -0.927
  151    HA   ARG  21           HA       ARG  21 -10.466   0.330  -1.037
  152   1HB   ARG  21          1HB       ARG  21  -9.195   2.366  -0.251
  153   2HB   ARG  21          2HB       ARG  21  -9.888   1.323   1.023
  154   1HG   ARG  21          1HG       ARG  21  -7.829   0.645   1.786
  155   2HG   ARG  21          2HG       ARG  21  -7.031   0.901   0.208
  156   1HD   ARG  21          1HD       ARG  21  -6.415   2.939   0.773
  157   2HD   ARG  21          2HD       ARG  21  -8.081   3.378   1.240
  158    HE   ARG  21           HE       ARG  21  -6.869   1.764   3.263
  159   1HH1  ARG  21          2HH1      ARG  21  -6.529   4.978   1.856
  160   2HH1  ARG  21          1HH1      ARG  21  -6.152   5.722   3.374
  161   1HH2  ARG  21          2HH2      ARG  21  -6.505   2.795   5.249
  162   2HH2  ARG  21          1HH2      ARG  21  -6.138   4.486   5.294
  163    HA   PRO  22           HA       PRO  22  -8.097   0.200  -4.762
  164   1HB   PRO  22          1HB       PRO  22 -10.084   1.383  -6.166
  165   2HB   PRO  22          2HB       PRO  22 -10.377  -0.146  -5.287
  166   1HG   PRO  22          1HG       PRO  22 -11.408   2.560  -4.729
  167   2HG   PRO  22          2HG       PRO  22 -11.967   0.981  -4.107
  168   1HD   PRO  22          1HD       PRO  22 -10.175   2.969  -2.833
  169   2HD   PRO  22          2HD       PRO  22 -11.023   1.583  -2.096
  170    H    LEU  23           H        LEU  23  -6.533   1.033  -5.741
  171    HA   LEU  23           HA       LEU  23  -6.571   3.979  -6.054
  172   1HB   LEU  23          1HB       LEU  23  -3.944   2.549  -6.021
  173   2HB   LEU  23          2HB       LEU  23  -4.337   4.252  -5.659
  174    HG   LEU  23           HG       LEU  23  -5.523   3.059  -3.553
  175   1HD1  LEU  23          3HD1      LEU  23  -4.660   0.824  -4.451
  176   2HD1  LEU  23          2HD1      LEU  23  -3.037   1.398  -3.993
  177   3HD1  LEU  23          1HD1      LEU  23  -4.299   1.211  -2.749
  178   1HD2  LEU  23          1HD2      LEU  23  -3.536   4.792  -3.948
  179   2HD2  LEU  23          3HD2      LEU  23  -3.851   4.056  -2.356
  180   3HD2  LEU  23          2HD2      LEU  23  -2.560   3.406  -3.398
  181    H    CYS  24           H        CYS  24  -4.461   4.097  -7.863
  182    HA   CYS  24           HA       CYS  24  -4.872   1.922  -9.787
  183   1HB   CYS  24          1HB       CYS  24  -6.136   3.918 -10.634
  184   2HB   CYS  24          2HB       CYS  24  -4.575   4.780 -10.734
  185    H    GLY  25           H        GLY  25  -2.991   1.305 -10.810
  186   1HA   GLY  25          2HA       GLY  25  -0.449   2.241  -9.607
  187   2HA   GLY  25          1HA       GLY  25  -0.658   0.879 -10.741
  188    H    SER  26           H        SER  26   1.326   2.460 -11.381
  189    HA   SER  26           HA       SER  26   0.325   4.198 -13.566
  190   1HB   SER  26          1HB       SER  26   2.522   5.020 -13.821
  191   2HB   SER  26          2HB       SER  26   2.158   5.031 -12.071
  192    HG   SER  26           HG       SER  26   4.166   4.286 -12.178
  193    H    ASP  27           H        ASP  27   0.092   1.225 -13.381
  194    HA   ASP  27           HA       ASP  27   1.796   0.493 -15.690
  195   1HB   ASP  27          1HB       ASP  27   1.968  -1.711 -14.781
  196   2HB   ASP  27          2HB       ASP  27   2.472  -0.491 -13.576
  197    H    ASN  28           H        ASN  28  -0.995   1.598 -15.642
  198    HA   ASN  28           HA       ASN  28  -3.040   1.251 -16.546
  199   1HB   ASN  28          2HB       ASN  28  -1.195  -0.439 -18.113
  200   2HB   ASN  28          1HB       ASN  28  -2.944  -0.741 -18.325
  201   1HD2  ASN  28          1HD2      ASN  28  -1.810   3.163 -19.034
  202   2HD2  ASN  28          2HD2      ASN  28  -1.343   2.358 -17.573
  203    H    LYS  29           H        LYS  29  -2.260  -0.223 -14.083
  204    HA   LYS  29           HA       LYS  29  -4.661  -1.999 -14.123
  205   1HB   LYS  29          1HB       LYS  29  -2.387  -2.554 -12.270
  206   2HB   LYS  29          2HB       LYS  29  -3.556  -3.666 -13.036
  207   1HG   LYS  29          1HG       LYS  29  -2.365  -3.501 -15.163
  208   2HG   LYS  29          2HG       LYS  29  -1.234  -2.309 -14.460
  209   1HD   LYS  29          1HD       LYS  29   0.085  -4.050 -14.101
  210   2HD   LYS  29          2HD       LYS  29  -0.922  -4.277 -12.697
  211   1HE   LYS  29          1HE       LYS  29  -2.316  -5.878 -13.873
  212   2HE   LYS  29          2HE       LYS  29  -1.351  -5.621 -15.352
  213   1HZ   LYS  29          3HZ       LYS  29   0.484  -6.352 -14.166
  214   2HZ   LYS  29          1HZ       LYS  29  -0.420  -6.632 -12.843
  215   3HZ   LYS  29          2HZ       LYS  29  -0.721  -7.485 -14.195
  216    H    THR  30           H        THR  30  -6.135  -1.556 -12.671
  217    HA   THR  30           HA       THR  30  -5.802   0.252 -10.430
  218    HB   THR  30           HB       THR  30  -7.927  -1.870 -11.070
  219    HG1  THR  30           HG1      THR  30  -8.984  -0.398 -11.677
  220   1HG2  THR  30          2HG2      THR  30  -7.799  -1.523  -8.631
  221   2HG2  THR  30          1HG2      THR  30  -8.020   0.227  -8.885
  222   3HG2  THR  30          3HG2      THR  30  -9.317  -0.909  -9.333
  223    OH   TYR  31           OH       TYR  31   0.358  -3.638 -10.313
  224    H    TYR  31           H        TYR  31  -5.868  -0.417  -8.203
  225    HA   TYR  31           HA       TYR  31  -4.886  -3.185  -7.696
  226   1HB   TYR  31          1HB       TYR  31  -3.690  -0.540  -6.891
  227   2HB   TYR  31          2HB       TYR  31  -3.514  -1.962  -5.822
  228    HD1  TYR  31           HD2      TYR  31  -2.611  -4.122  -6.981
  229    HD2  TYR  31           HD1      TYR  31  -2.152  -0.240  -8.656
  230    HE1  TYR  31           HE2      TYR  31  -0.872  -4.985  -8.482
  231    HE2  TYR  31           HE1      TYR  31  -0.376  -1.080 -10.131
  232    HH   TYR  31           HH       TYR  31  -0.250  -4.310 -10.914
  233    H    GLY  32           H        GLY  32  -6.013  -4.233  -6.259
  234   1HA   GLY  32          2HA       GLY  32  -8.448  -3.227  -5.358
  235   2HA   GLY  32          1HA       GLY  32  -7.694  -4.729  -4.761
  236    H    ASN  33           H        ASN  33  -5.509  -3.933  -3.418
  237    HA   ASN  33           HA       ASN  33  -6.178  -1.601  -1.726
  238   1HB   ASN  33          1HB       ASN  33  -5.446  -3.196   0.228
  239   2HB   ASN  33          2HB       ASN  33  -7.134  -3.075  -0.342
  240   1HD2  ASN  33          1HD2      ASN  33  -5.650  -6.653   0.001
  241   2HD2  ASN  33          2HD2      ASN  33  -5.309  -5.246   0.950
  242    H    LYS  34           H        LYS  34  -4.396  -1.152  -0.133
  243    HA   LYS  34           HA       LYS  34  -2.391  -0.190  -1.779
  244   1HB   LYS  34          1HB       LYS  34  -3.198   0.446   0.681
  245   2HB   LYS  34          2HB       LYS  34  -1.740  -0.489   1.122
  246   1HG   LYS  34          2HG       LYS  34  -0.317   0.987  -0.122
  247   2HG   LYS  34          1HG       LYS  34  -1.718   1.810  -0.866
  248   1HD   LYS  34          1HD       LYS  34  -1.112   3.312   0.751
  249   2HD   LYS  34          2HD       LYS  34  -2.348   2.390   1.563
  250   1HE   LYS  34          1HE       LYS  34  -0.822   1.182   2.859
  251   2HE   LYS  34          2HE       LYS  34   0.545   1.667   1.819
  252   1HZ   LYS  34          3HZ       LYS  34  -1.034   3.401   3.447
  253   2HZ   LYS  34          1HZ       LYS  34   0.431   2.807   3.829
  254   3HZ   LYS  34          2HZ       LYS  34   0.295   3.791   2.542
  255    H    CYS  35           H        CYS  35  -2.411  -3.097   0.227
  256    HA   CYS  35           HA       CYS  35   0.351  -3.613   0.073
  257   1HB   CYS  35          1HB       CYS  35  -0.227  -5.926   0.712
  258   2HB   CYS  35          2HB       CYS  35  -0.968  -4.666   1.740
  259    H    ASN  36           H        ASN  36  -2.330  -4.670  -2.014
  260    HA   ASN  36           HA       ASN  36  -0.633  -6.258  -3.672
  261   1HB   ASN  36          1HB       ASN  36  -3.382  -5.207  -4.334
  262   2HB   ASN  36          2HB       ASN  36  -2.519  -6.578  -5.090
  263   1HD2  ASN  36          1HD2      ASN  36  -2.744  -8.335  -1.733
  264   2HD2  ASN  36          2HD2      ASN  36  -1.427  -7.595  -2.582
  265    H    PHE  37           H        PHE  37  -1.410  -2.897  -3.571
  266    HA   PHE  37           HA       PHE  37  -0.319  -2.154  -6.140
  267   1HB   PHE  37          1HB       PHE  37  -1.620  -0.522  -4.871
  268   2HB   PHE  37          2HB       PHE  37  -0.479  -0.624  -3.503
  269    HD1  PHE  37           HD1      PHE  37  -0.492   0.017  -7.147
  270    HD2  PHE  37           HD2      PHE  37   1.118   1.145  -3.367
  271    HE1  PHE  37           HE1      PHE  37   0.866   1.737  -8.256
  272    HE2  PHE  37           HE2      PHE  37   2.682   2.701  -4.492
  273    HZ   PHE  37           HZ       PHE  37   2.581   2.951  -6.956
  274    H    CYS  38           H        CYS  38   1.049  -2.031  -2.827
  275    HA   CYS  38           HA       CYS  38   3.479  -1.092  -3.667
  276   1HB   CYS  38          1HB       CYS  38   2.803  -2.645  -1.161
  277   2HB   CYS  38          2HB       CYS  38   4.353  -1.802  -1.437
  278    H    ASN  39           H        ASN  39   2.388  -4.378  -3.700
  279    HA   ASN  39           HA       ASN  39   5.130  -5.469  -3.659
  280   1HB   ASN  39          1HB       ASN  39   3.883  -7.686  -3.951
  281   2HB   ASN  39          2HB       ASN  39   3.848  -6.850  -2.372
  282   1HD2  ASN  39          1HD2      ASN  39   0.415  -7.275  -2.236
  283   2HD2  ASN  39          2HD2      ASN  39   1.936  -7.114  -1.426
  284    H    ALA  40           H        ALA  40   2.604  -4.481  -5.784
  285    HA   ALA  40           HA       ALA  40   3.746  -5.564  -8.220
  286   1HB   ALA  40          2HB       ALA  40   1.423  -4.620  -7.945
  287   2HB   ALA  40          1HB       ALA  40   2.170  -3.005  -7.876
  288   3HB   ALA  40          3HB       ALA  40   2.352  -4.008  -9.338
  289    H    VAL  41           H        VAL  41   4.327  -2.825  -6.083
  290    HA   VAL  41           HA       VAL  41   6.197  -1.571  -7.839
  291    HB   VAL  41           HB       VAL  41   5.826  -1.237  -4.854
  292   1HG1  VAL  41          1HG1      VAL  41   7.526   0.155  -6.833
  293   2HG1  VAL  41          2HG1      VAL  41   6.589   1.203  -5.740
  294   3HG1  VAL  41          3HG1      VAL  41   7.702  -0.014  -5.070
  295   1HG2  VAL  41          1HG2      VAL  41   3.896  -0.840  -6.697
  296   2HG2  VAL  41          3HG2      VAL  41   4.054   0.102  -5.195
  297   3HG2  VAL  41          2HG2      VAL  41   4.693   0.751  -6.725
  298    H    VAL  42           H        VAL  42   6.611  -3.626  -4.946
  299    HA   VAL  42           HA       VAL  42   9.425  -3.376  -4.997
  300    HB   VAL  42           HB       VAL  42   9.463  -4.937  -3.197
  301   1HG1  VAL  42          2HG1      VAL  42   8.008  -2.591  -3.152
  302   2HG1  VAL  42          3HG1      VAL  42   6.919  -3.764  -2.372
  303   3HG1  VAL  42          1HG1      VAL  42   8.565  -3.519  -1.738
  304   1HG2  VAL  42          2HG2      VAL  42   6.871  -5.870  -4.307
  305   2HG2  VAL  42          1HG2      VAL  42   8.210  -6.778  -3.565
  306   3HG2  VAL  42          3HG2      VAL  42   7.059  -5.892  -2.537
  307    H    GLU  43           H        GLU  43   7.269  -5.954  -6.163
  308    HA   GLU  43           HA       GLU  43   9.185  -7.610  -7.395
  309   1HB   GLU  43          1HB       GLU  43   6.406  -6.722  -8.161
  310   2HB   GLU  43          2HB       GLU  43   7.301  -7.767  -9.112
  311   1HG   GLU  43          1HG       GLU  43   5.531  -8.585  -7.507
  312   2HG   GLU  43          2HG       GLU  43   6.950  -9.581  -7.936
  313    H    SER  44           H        SER  44   7.969  -4.419  -8.247
  314    HA   SER  44           HA       SER  44   8.686  -4.511 -11.020
  315   1HB   SER  44          2HB       SER  44   7.399  -2.669  -9.235
  316   2HB   SER  44          1HB       SER  44   8.675  -1.822 -10.157
  317    HG   SER  44           HG       SER  44   6.183  -2.712 -10.862
  318    H    ASN  45           H        ASN  45  10.311  -3.412  -8.071
  319    HA   ASN  45           HA       ASN  45  12.535  -3.252  -7.609
  320   1HB   ASN  45          1HB       ASN  45  12.541  -4.915  -9.963
  321   2HB   ASN  45          2HB       ASN  45  13.956  -3.823  -9.931
  322   1HD2  ASN  45          1HD2      ASN  45  13.438  -6.570  -6.870
  323   2HD2  ASN  45          2HD2      ASN  45  12.061  -5.916  -7.695
  324    H    GLY  46           H        GLY  46  11.049  -1.083  -8.188
  325   1HA   GLY  46          1HA       GLY  46  11.711   1.193  -8.133
  326   2HA   GLY  46          2HA       GLY  46  13.242   0.756  -8.938
  327    H    THR  47           H        THR  47  10.232  -0.561 -10.111
  328    HA   THR  47           HA       THR  47  10.317   1.259 -12.463
  329    HB   THR  47           HB       THR  47   8.907  -1.436 -12.037
  330    HG1  THR  47           HG1      THR  47  10.799  -0.482 -13.763
  331   1HG2  THR  47          3HG2      THR  47   8.519   0.593 -14.190
  332   2HG2  THR  47          1HG2      THR  47   8.528  -1.134 -14.629
  333   3HG2  THR  47          2HG2      THR  47   7.368  -0.528 -13.419
  334    H    LEU  48           H        LEU  48   7.561  -0.489 -11.088
  335    HA   LEU  48           HA       LEU  48   5.880   1.608 -11.935
  336   1HB   LEU  48          1HB       LEU  48   5.058  -0.548 -12.057
  337   2HB   LEU  48          2HB       LEU  48   5.565  -0.954 -10.392
  338    HG   LEU  48           HG       LEU  48   3.356   1.027 -10.908
  339   1HD1  LEU  48          1HD1      LEU  48   3.100  -1.368 -12.010
  340   2HD1  LEU  48          3HD1      LEU  48   2.773  -1.853 -10.327
  341   3HD1  LEU  48          2HD1      LEU  48   1.759  -0.615 -11.110
  342   1HD2  LEU  48          2HD2      LEU  48   4.535  -0.539  -8.667
  343   2HD2  LEU  48          3HD2      LEU  48   3.844   1.104  -8.685
  344   3HD2  LEU  48          1HD2      LEU  48   2.767  -0.315  -8.658
  345    H    THR  49           H        THR  49   4.438   2.932 -10.776
  346    HA   THR  49           HA       THR  49   4.603   3.064  -7.910
  347    HB   THR  49           HB       THR  49   5.181   5.423  -7.629
  348    HG1  THR  49           HG1      THR  49   5.750   5.225 -10.296
  349   1HG2  THR  49          3HG2      THR  49   7.017   3.689  -7.646
  350   2HG2  THR  49          1HG2      THR  49   7.441   4.279  -9.273
  351   3HG2  THR  49          2HG2      THR  49   7.509   5.385  -7.879
  352    H    LEU  50           H        LEU  50   3.199   5.122  -7.231
  353    HA   LEU  50           HA       LEU  50   0.657   4.303  -8.238
  354   1HB   LEU  50          1HB       LEU  50   0.820   4.569  -5.956
  355   2HB   LEU  50          2HB       LEU  50   1.709   6.112  -6.082
  356    HG   LEU  50           HG       LEU  50  -0.587   6.989  -7.025
  357   1HD1  LEU  50          3HD1      LEU  50  -1.225   4.350  -5.827
  358   2HD1  LEU  50          1HD1      LEU  50  -2.263   5.709  -5.330
  359   3HD1  LEU  50          2HD1      LEU  50  -2.097   5.301  -7.057
  360   1HD2  LEU  50          2HD2      LEU  50   0.820   7.297  -4.782
  361   2HD2  LEU  50          1HD2      LEU  50  -0.814   7.981  -4.979
  362   3HD2  LEU  50          3HD2      LEU  50  -0.589   6.455  -4.087
  363    H    SER  51           H        SER  51  -0.742   5.235  -9.564
  364    HA   SER  51           HA       SER  51   0.031   7.713 -10.881
  365   1HB   SER  51          1HB       SER  51  -0.731   5.780 -12.166
  366   2HB   SER  51          2HB       SER  51  -2.332   5.876 -11.380
  367    HG   SER  51           HG       SER  51  -2.310   6.783 -13.471
  368    H    HIS  52           H        HIS  52  -2.649   6.549  -8.851
  369    HA   HIS  52           HA       HIS  52  -2.950   9.057  -7.503
  370   1HB   HIS  52          1HB       HIS  52  -5.219   9.641  -8.383
  371   2HB   HIS  52          2HB       HIS  52  -3.895   9.929  -9.550
  372    HD1  HIS  52           HD1      HIS  52  -7.186   9.001  -9.878
  373    HD2  HIS  52           HD2      HIS  52  -3.721   6.832 -10.671
  374    HE1  HIS  52           HE1      HIS  52  -7.870   7.067 -11.317
  375    HE2  HIS  52           HE2      HIS  52  -5.749   5.865 -11.955
  376    H    PHE  53           H        PHE  53  -4.730   9.049  -6.026
  377    HA   PHE  53           HA       PHE  53  -5.602   6.311  -5.308
  378   1HB   PHE  53          1HB       PHE  53  -5.973   8.902  -3.742
  379   2HB   PHE  53          2HB       PHE  53  -6.422   7.256  -3.208
  380    HD1  PHE  53           HD2      PHE  53  -3.338   9.133  -4.402
  381    HD2  PHE  53           HD1      PHE  53  -5.019   6.062  -1.975
  382    HE1  PHE  53           HE2      PHE  53  -1.191   8.925  -3.188
  383    HE2  PHE  53           HE1      PHE  53  -2.854   5.722  -0.872
  384    HZ   PHE  53           HZ       PHE  53  -0.958   7.202  -1.422
  385    H    GLY  54           H        GLY  54  -7.670   5.668  -5.318
  386   1HA   GLY  54          1HA       GLY  54  -9.986   6.209  -4.909
  387   2HA   GLY  54          2HA       GLY  54  -9.780   7.701  -5.864
  388    H    LYS  55           H        LYS  55  -8.943   4.264  -6.465
  389    HA   LYS  55           HA       LYS  55  -8.984   3.043  -8.442
  390   1HB   LYS  55          1HB       LYS  55 -11.609   4.395  -9.019
  391   2HB   LYS  55          2HB       LYS  55 -11.114   2.696  -9.269
  392   1HG   LYS  55          2HG       LYS  55 -10.944   3.042  -6.506
  393   2HG   LYS  55          1HG       LYS  55 -12.405   3.963  -6.965
  394   1HD   LYS  55          1HD       LYS  55 -12.895   1.642  -6.353
  395   2HD   LYS  55          2HD       LYS  55 -13.359   2.039  -7.985
  396   1HE   LYS  55          1HE       LYS  55 -10.668   1.016  -7.960
  397   2HE   LYS  55          2HE       LYS  55 -11.789  -0.094  -7.125
  398   1HZ   LYS  55          2HZ       LYS  55 -13.175   0.127  -8.993
  399   2HZ   LYS  55          3HZ       LYS  55 -11.978   0.969  -9.763
  400   3HZ   LYS  55          1HZ       LYS  55 -11.744  -0.576  -9.310
  401    H    CYS  56           H        CYS  56  -9.497   3.120 -10.844
  402    HA   CYS  56           HA       CYS  56  -7.570   5.098 -11.629
  403   1HB   CYS  56          1HB       CYS  56  -7.750   2.504 -12.070
  404   2HB   CYS  56          2HB       CYS  56  -8.651   3.039 -13.517
   
  Start of MODEL           5
 Raw file had 404 H/Q atoms
  Start of MODEL    5
    1   1H    LEU   1          2H        LEU   1  -2.178  20.645  -3.899
    2   2H    LEU   1          3H        LEU   1  -3.164  21.928  -3.672
    3   3H    LEU   1          1H        LEU   1  -1.712  22.132  -4.389
    4    HA   LEU   1           HA       LEU   1  -0.510  21.906  -2.512
    5   1HB   LEU   1          2HB       LEU   1  -1.673  23.986  -2.572
    6   2HB   LEU   1          1HB       LEU   1  -3.170  23.240  -1.944
    7    HG   LEU   1           HG       LEU   1  -0.723  23.193  -0.229
    8   1HD1  LEU   1          3HD2      LEU   1  -2.181  25.587  -1.208
    9   2HD1  LEU   1          2HD2      LEU   1  -1.890  25.505   0.549
   10   3HD1  LEU   1          1HD2      LEU   1  -0.518  25.423  -0.585
   11   1HD2  LEU   1          3HD1      LEU   1  -3.681  23.060   0.024
   12   2HD2  LEU   1          2HD1      LEU   1  -2.406  22.222   0.945
   13   3HD2  LEU   1          1HD1      LEU   1  -2.809  23.917   1.320
   14    H    ALA   2           H        ALA   2  -0.370  19.657  -2.178
   15    HA   ALA   2           HA       ALA   2  -1.544  18.623   0.255
   16   1HB   ALA   2          1HB       ALA   2  -3.328  18.628  -1.738
   17   2HB   ALA   2          2HB       ALA   2  -2.483  17.106  -2.123
   18   3HB   ALA   2          3HB       ALA   2  -3.229  17.330  -0.520
   19    H    ALA   3           H        ALA   3  -0.968  16.353   0.582
   20    HA   ALA   3           HA       ALA   3   0.879  15.174  -1.355
   21   1HB   ALA   3          3HB       ALA   3   1.703  15.961   1.426
   22   2HB   ALA   3          1HB       ALA   3   2.402  14.522   0.641
   23   3HB   ALA   3          2HB       ALA   3   2.581  16.126  -0.115
   24    H    VAL   4           H        VAL   4  -0.287  13.437  -1.765
   25    HA   VAL   4           HA       VAL   4  -0.856  11.657   0.542
   26    HB   VAL   4           HB       VAL   4  -2.968  12.446  -0.288
   27   1HG1  VAL   4          3HG1      VAL   4  -2.317  13.057  -2.579
   28   2HG1  VAL   4          2HG1      VAL   4  -2.229  11.331  -3.007
   29   3HG1  VAL   4          1HG1      VAL   4  -3.787  12.054  -2.538
   30   1HG2  VAL   4          2HG2      VAL   4  -2.181   9.611  -0.582
   31   2HG2  VAL   4          1HG2      VAL   4  -3.423  10.368   0.442
   32   3HG2  VAL   4          3HG2      VAL   4  -3.753  10.068  -1.281
   33    H    SER   5           H        SER   5   1.061  10.621   0.426
   34    HA   SER   5           HA       SER   5   1.643   9.201  -2.128
   35   1HB   SER   5          1HB       SER   5   3.951   9.462  -1.742
   36   2HB   SER   5          2HB       SER   5   3.209  11.068  -1.488
   37    HG   SER   5           HG       SER   5   3.824  11.156   0.456
   38    H    VAL   6           H        VAL   6   3.371   7.396  -1.595
   39    HA   VAL   6           HA       VAL   6   2.223   5.750   0.593
   40    HB   VAL   6           HB       VAL   6   2.721   4.672  -2.182
   41   1HG1  VAL   6          1HG1      VAL   6   2.441   3.297   0.114
   42   2HG1  VAL   6          3HG1      VAL   6   0.733   3.432  -0.370
   43   3HG1  VAL   6          2HG1      VAL   6   1.917   2.692  -1.476
   44   1HG2  VAL   6          2HG2      VAL   6   0.863   6.533  -1.913
   45   2HG2  VAL   6          1HG2      VAL   6   0.607   5.081  -2.908
   46   3HG2  VAL   6          3HG2      VAL   6  -0.072   5.164  -1.266
   47    H    ASP   7           H        ASP   7   3.546   4.304   1.535
   48    HA   ASP   7           HA       ASP   7   6.392   5.016   1.107
   49   1HB   ASP   7          1HB       ASP   7   5.181   4.733   3.829
   50   2HB   ASP   7          2HB       ASP   7   6.629   5.638   3.300
   51    H    CYS   8           H        CYS   8   7.091   3.168   0.212
   52    HA   CYS   8           HA       CYS   8   6.580   0.629   1.678
   53   1HB   CYS   8          1HB       CYS   8   6.210   1.179  -1.277
   54   2HB   CYS   8          2HB       CYS   8   5.992  -0.392  -0.453
   55    H    SER   9           H        SER   9   8.977   2.046   1.831
   56    HA   SER   9           HA       SER   9  10.825   0.442   0.149
   57   1HB   SER   9          1HB       SER   9  11.487   2.725   0.259
   58   2HB   SER   9          2HB       SER   9  11.337   2.757   2.040
   59    HG   SER   9           HG       SER   9  13.171   1.886   2.340
   60    H    GLU  10           H        GLU  10   9.832  -1.441   1.236
   61    HA   GLU  10           HA       GLU  10  11.297  -2.479   3.363
   62   1HB   GLU  10          1HB       GLU  10   9.652  -0.531   4.305
   63   2HB   GLU  10          2HB       GLU  10   8.580  -1.814   4.299
   64   1HG   GLU  10          1HG       GLU  10  10.642  -1.203   6.131
   65   2HG   GLU  10          2HG       GLU  10   9.103  -2.072   6.385
   66    OH   TYR  11           OH       TYR  11   2.441  -1.594   3.020
   67    H    TYR  11           H        TYR  11   8.221  -2.267   1.659
   68    HA   TYR  11           HA       TYR  11   7.390  -4.941   1.752
   69   1HB   TYR  11          2HB       TYR  11   7.295  -2.900  -0.493
   70   2HB   TYR  11          1HB       TYR  11   6.498  -4.496  -0.568
   71    HD1  TYR  11           HD2      TYR  11   6.559  -1.267   1.265
   72    HD2  TYR  11           HD1      TYR  11   4.356  -4.810   0.453
   73    HE1  TYR  11           HE2      TYR  11   4.698  -0.406   2.613
   74    HE2  TYR  11           HE1      TYR  11   2.499  -3.979   1.835
   75    HH   TYR  11           HH       TYR  11   2.262  -0.633   2.540
   76    HA   PRO  12           HA       PRO  12   6.408  -6.228   0.005
   77   1HB   PRO  12          1HB       PRO  12   6.801  -8.814  -0.835
   78   2HB   PRO  12          2HB       PRO  12   6.746  -7.434  -1.968
   79   1HG   PRO  12          2HG       PRO  12   8.984  -9.159  -1.338
   80   2HG   PRO  12          1HG       PRO  12   8.914  -7.814  -2.512
   81   1HD   PRO  12          1HD       PRO  12   9.977  -7.830   0.298
   82   2HD   PRO  12          2HD       PRO  12  10.428  -6.783  -1.078
   83    H    LYS  13           H        LYS  13   5.163  -7.184   1.446
   84    HA   LYS  13           HA       LYS  13   6.672  -7.982   3.897
   85   1HB   LYS  13          2HB       LYS  13   4.354  -7.302   4.969
   86   2HB   LYS  13          1HB       LYS  13   5.648  -6.104   4.680
   87   1HG   LYS  13          1HG       LYS  13   4.447  -4.986   3.113
   88   2HG   LYS  13          2HG       LYS  13   3.712  -6.476   2.454
   89   1HD   LYS  13          1HD       LYS  13   1.999  -5.101   3.401
   90   2HD   LYS  13          2HD       LYS  13   2.173  -6.592   4.285
   91   1HE   LYS  13          2HE       LYS  13   1.837  -4.443   5.598
   92   2HE   LYS  13          1HE       LYS  13   3.077  -5.601   6.149
   93   1HZ   LYS  13          3HZ       LYS  13   3.522  -3.299   4.518
   94   2HZ   LYS  13          1HZ       LYS  13   3.779  -3.395   6.121
   95   3HZ   LYS  13          2HZ       LYS  13   4.651  -4.343   5.129
   96    HA   PRO  14           HA       PRO  14   4.521 -11.862   3.456
   97   1HB   PRO  14          2HB       PRO  14   4.908 -12.588   6.129
   98   2HB   PRO  14          1HB       PRO  14   6.165 -12.632   4.862
   99   1HG   PRO  14          2HG       PRO  14   6.100 -10.974   7.191
  100   2HG   PRO  14          1HG       PRO  14   7.276 -10.914   5.847
  101   1HD   PRO  14          1HD       PRO  14   4.867  -9.178   6.356
  102   2HD   PRO  14          2HD       PRO  14   6.401  -8.778   5.533
  103    H    ALA  15           H        ALA  15   3.189  -9.446   5.523
  104    HA   ALA  15           HA       ALA  15   0.698 -11.075   5.655
  105   1HB   ALA  15          3HB       ALA  15   2.105 -10.568   7.751
  106   2HB   ALA  15          2HB       ALA  15   1.481  -8.907   7.596
  107   3HB   ALA  15          1HB       ALA  15   0.350 -10.267   7.810
  108    H    CYS  16           H        CYS  16  -0.901 -10.346   4.490
  109    HA   CYS  16           HA       CYS  16  -1.272  -7.410   4.186
  110   1HB   CYS  16          1HB       CYS  16  -2.192  -9.785   2.611
  111   2HB   CYS  16          2HB       CYS  16  -3.266  -8.363   2.717
  112    H    THR  17           H        THR  17  -3.906  -7.165   4.022
  113    HA   THR  17           HA       THR  17  -5.068  -8.596   6.332
  114    HB   THR  17           HB       THR  17  -4.373  -6.188   6.977
  115    HG1  THR  17           HG1      THR  17  -6.998  -6.947   7.012
  116   1HG2  THR  17          1HG2      THR  17  -5.403  -5.257   4.764
  117   2HG2  THR  17          2HG2      THR  17  -6.912  -5.229   5.713
  118   3HG2  THR  17          3HG2      THR  17  -5.484  -4.329   6.284
  119    H    LEU  18           H        LEU  18  -5.110  -9.107   3.523
  120    HA   LEU  18           HA       LEU  18  -7.168  -7.883   2.133
  121   1HB   LEU  18          1HB       LEU  18  -5.559  -9.073   0.956
  122   2HB   LEU  18          2HB       LEU  18  -5.777 -10.547   1.942
  123    HG   LEU  18           HG       LEU  18  -8.043  -9.639   0.220
  124   1HD1  LEU  18          1HD2      LEU  18  -5.338 -10.459  -0.685
  125   2HD1  LEU  18          3HD2      LEU  18  -6.710 -11.287  -1.464
  126   3HD1  LEU  18          2HD2      LEU  18  -6.595  -9.509  -1.519
  127   1HD2  LEU  18          1HD1      LEU  18  -6.996 -12.118   1.481
  128   2HD2  LEU  18          3HD1      LEU  18  -8.674 -11.572   1.230
  129   3HD2  LEU  18          2HD1      LEU  18  -7.763 -12.301  -0.117
  130   1H    GLU  19          1H        GLU  19  -6.241  -5.171   2.131
  131   2H    GLU  19          2H        GLU  19  -6.957  -4.051   3.079
  132   3H    GLU  19          3H        GLU  19  -6.868  -5.604   3.577
  133    HA   GLU  19           HA       GLU  19  -8.363  -6.367   1.970
  134   1HB   GLU  19          1HB       GLU  19  -8.872  -4.757   4.087
  135   2HB   GLU  19          2HB       GLU  19  -9.461  -3.776   2.868
  136   1HG   GLU  19          1HG       GLU  19 -11.295  -4.729   2.598
  137   2HG   GLU  19          2HG       GLU  19 -10.665  -6.396   2.737
  138    OH   TYR  20           OH       TYR  20 -11.806  -1.050  -6.302
  139    H    TYR  20           H        TYR  20 -10.342  -4.946   0.717
  140    HA   TYR  20           HA       TYR  20  -9.126  -4.086  -1.755
  141   1HB   TYR  20          1HB       TYR  20 -11.388  -5.069  -1.685
  142   2HB   TYR  20          2HB       TYR  20 -11.955  -3.674  -0.717
  143    HD1  TYR  20           HD1      TYR  20 -11.974  -1.388  -1.781
  144    HD2  TYR  20           HD2      TYR  20 -11.053  -4.861  -4.054
  145    HE1  TYR  20           HE1      TYR  20 -12.057  -0.054  -3.842
  146    HE2  TYR  20           HE2      TYR  20 -11.181  -3.549  -6.125
  147    HH   TYR  20           HH       TYR  20 -10.842  -1.234  -6.773
  148    NH1  ARG  21           NH1      ARG  21  -8.239   1.445   3.689
  149    NH2  ARG  21           NH2      ARG  21  -9.483  -0.473   3.924
  150    H    ARG  21           H        ARG  21  -9.044  -2.030  -2.632
  151    HA   ARG  21           HA       ARG  21 -10.641   0.034  -1.865
  152   1HB   ARG  21          1HB       ARG  21  -8.914   1.704  -0.951
  153   2HB   ARG  21          2HB       ARG  21  -9.639   0.516   0.171
  154   1HG   ARG  21          1HG       ARG  21  -7.497  -0.888  -0.376
  155   2HG   ARG  21          2HG       ARG  21  -6.828   0.687  -0.889
  156   1HD   ARG  21          1HD       ARG  21  -6.241   0.350   1.381
  157   2HD   ARG  21          2HD       ARG  21  -7.512   1.605   1.322
  158    HE   ARG  21           HE       ARG  21  -8.314  -1.188   1.856
  159   1HH1  ARG  21          2HH1      ARG  21  -7.578   1.996   3.180
  160   2HH1  ARG  21          1HH1      ARG  21  -8.616   1.786   4.550
  161   1HH2  ARG  21          2HH2      ARG  21  -9.761  -1.373   3.591
  162   2HH2  ARG  21          1HH2      ARG  21  -9.851  -0.120   4.784
  163    HA   PRO  22           HA       PRO  22  -9.169   1.202  -5.829
  164   1HB   PRO  22          1HB       PRO  22 -10.786   3.376  -5.953
  165   2HB   PRO  22          2HB       PRO  22 -11.461   1.748  -5.657
  166   1HG   PRO  22          1HG       PRO  22 -11.311   4.051  -3.840
  167   2HG   PRO  22          2HG       PRO  22 -12.230   2.529  -3.663
  168   1HD   PRO  22          1HD       PRO  22  -9.590   3.287  -2.521
  169   2HD   PRO  22          2HD       PRO  22 -10.726   2.013  -2.003
  170    H    LEU  23           H        LEU  23  -7.052   1.315  -5.840
  171    HA   LEU  23           HA       LEU  23  -6.220   4.156  -6.157
  172   1HB   LEU  23          1HB       LEU  23  -4.203   1.955  -6.082
  173   2HB   LEU  23          2HB       LEU  23  -4.037   3.679  -5.672
  174    HG   LEU  23           HG       LEU  23  -5.804   2.417  -3.771
  175   1HD1  LEU  23          2HD1      LEU  23  -4.356   0.419  -4.656
  176   2HD1  LEU  23          1HD1      LEU  23  -3.073   1.179  -3.679
  177   3HD1  LEU  23          3HD1      LEU  23  -4.594   0.663  -2.907
  178   1HD2  LEU  23          3HD2      LEU  23  -4.153   4.454  -3.706
  179   2HD2  LEU  23          1HD2      LEU  23  -4.443   3.478  -2.244
  180   3HD2  LEU  23          2HD2      LEU  23  -2.966   3.221  -3.208
  181    H    CYS  24           H        CYS  24  -4.394   4.107  -7.954
  182    HA   CYS  24           HA       CYS  24  -4.696   1.891  -9.778
  183   1HB   CYS  24          1HB       CYS  24  -6.135   3.628 -10.821
  184   2HB   CYS  24          2HB       CYS  24  -4.713   4.702 -10.905
  185    H    GLY  25           H        GLY  25  -2.731   1.158 -10.241
  186   1HA   GLY  25          2HA       GLY  25  -0.364   2.458  -9.066
  187   2HA   GLY  25          1HA       GLY  25  -0.414   0.924  -9.978
  188    H    SER  26           H        SER  26   1.542   2.071 -10.922
  189    HA   SER  26           HA       SER  26   0.702   3.605 -13.319
  190   1HB   SER  26          1HB       SER  26   2.779   4.188 -11.894
  191   2HB   SER  26          2HB       SER  26   3.543   2.804 -12.731
  192    HG   SER  26           HG       SER  26   3.476   3.715 -14.630
  193    H    ASP  27           H        ASP  27  -0.205   0.925 -12.896
  194    HA   ASP  27           HA       ASP  27   1.332  -0.507 -14.979
  195   1HB   ASP  27          1HB       ASP  27   0.801  -2.541 -13.871
  196   2HB   ASP  27          2HB       ASP  27   1.492  -1.380 -12.700
  197    H    ASN  28           H        ASN  28  -0.989   1.368 -15.313
  198    HA   ASN  28           HA       ASN  28  -2.965   1.534 -16.413
  199   1HB   ASN  28          2HB       ASN  28  -2.222  -1.010 -17.815
  200   2HB   ASN  28          1HB       ASN  28  -3.014   0.463 -18.447
  201   1HD2  ASN  28          1HD2      ASN  28   0.326   2.217 -18.014
  202   2HD2  ASN  28          2HD2      ASN  28  -1.167   2.309 -17.141
  203    H    LYS  29           H        LYS  29  -2.960  -0.064 -13.898
  204    HA   LYS  29           HA       LYS  29  -5.814  -0.797 -14.158
  205   1HB   LYS  29          2HB       LYS  29  -5.128  -2.955 -12.842
  206   2HB   LYS  29          1HB       LYS  29  -5.087  -2.909 -14.627
  207   1HG   LYS  29          2HG       LYS  29  -2.530  -2.074 -13.875
  208   2HG   LYS  29          1HG       LYS  29  -2.926  -3.362 -12.703
  209   1HD   LYS  29          1HD       LYS  29  -2.939  -3.520 -15.730
  210   2HD   LYS  29          2HD       LYS  29  -1.758  -4.207 -14.646
  211   1HE   LYS  29          1HE       LYS  29  -4.667  -4.977 -14.580
  212   2HE   LYS  29          2HE       LYS  29  -3.441  -5.793 -15.587
  213   1HZ   LYS  29          3HZ       LYS  29  -3.279  -5.435 -12.761
  214   2HZ   LYS  29          1HZ       LYS  29  -3.858  -6.765 -13.496
  215   3HZ   LYS  29          2HZ       LYS  29  -2.308  -6.343 -13.746
  216    H    THR  30           H        THR  30  -6.867  -1.049 -12.158
  217    HA   THR  30           HA       THR  30  -5.923   0.568 -10.048
  218    HB   THR  30           HB       THR  30  -7.859  -0.795  -8.750
  219    HG1  THR  30           HG1      THR  30  -7.930  -2.251  -9.993
  220   1HG2  THR  30          3HG2      THR  30  -7.813   1.604 -10.038
  221   2HG2  THR  30          1HG2      THR  30  -9.099   0.752 -10.929
  222   3HG2  THR  30          2HG2      THR  30  -9.216   0.944  -9.161
  223    OH   TYR  31           OH       TYR  31   0.699  -3.281  -9.913
  224    H    TYR  31           H        TYR  31  -5.683  -0.080  -7.780
  225    HA   TYR  31           HA       TYR  31  -4.894  -2.905  -7.382
  226   1HB   TYR  31          1HB       TYR  31  -3.414  -0.466  -6.362
  227   2HB   TYR  31          2HB       TYR  31  -3.340  -2.041  -5.522
  228    HD1  TYR  31           HD1      TYR  31  -2.429  -0.246  -8.647
  229    HD2  TYR  31           HD2      TYR  31  -2.163  -3.915  -6.515
  230    HE1  TYR  31           HE1      TYR  31  -0.595  -0.961 -10.119
  231    HE2  TYR  31           HE2      TYR  31  -0.365  -4.662  -8.008
  232    HH   TYR  31           HH       TYR  31   0.319  -4.187 -10.382
  233    H    GLY  32           H        GLY  32  -5.890  -3.842  -5.721
  234   1HA   GLY  32          1HA       GLY  32  -7.960  -2.509  -4.290
  235   2HA   GLY  32          2HA       GLY  32  -7.348  -4.152  -3.960
  236    H    ASN  33           H        ASN  33  -5.322  -4.318  -2.709
  237    HA   ASN  33           HA       ASN  33  -5.573  -2.454  -0.429
  238   1HB   ASN  33          1HB       ASN  33  -3.624  -4.392   0.190
  239   2HB   ASN  33          2HB       ASN  33  -5.243  -4.135   0.892
  240   1HD2  ASN  33          1HD2      ASN  33  -4.390  -7.492  -1.117
  241   2HD2  ASN  33          2HD2      ASN  33  -3.209  -6.258  -0.820
  242    H    LYS  34           H        LYS  34  -3.766  -1.462   0.496
  243    HA   LYS  34           HA       LYS  34  -1.907  -0.274  -1.243
  244   1HB   LYS  34          1HB       LYS  34  -2.476   0.549   1.032
  245   2HB   LYS  34          2HB       LYS  34  -1.521  -0.796   1.720
  246   1HG   LYS  34          2HG       LYS  34   0.517   0.091   0.922
  247   2HG   LYS  34          1HG       LYS  34  -0.310   1.191  -0.218
  248   1HD   LYS  34          1HD       LYS  34   0.285   2.663   1.413
  249   2HD   LYS  34          2HD       LYS  34  -1.310   2.213   1.948
  250   1HE   LYS  34          1HE       LYS  34   1.188   0.876   2.964
  251   2HE   LYS  34          2HE       LYS  34   0.445   2.314   3.715
  252   1HZ   LYS  34          1HZ       LYS  34  -1.540   1.022   3.793
  253   2HZ   LYS  34          2HZ       LYS  34  -0.675  -0.280   3.348
  254   3HZ   LYS  34          3HZ       LYS  34  -0.325   0.523   4.751
  255    H    CYS  35           H        CYS  35  -1.924  -3.419   0.225
  256    HA   CYS  35           HA       CYS  35   1.021  -3.626   0.134
  257   1HB   CYS  35          1HB       CYS  35   0.729  -5.745   1.315
  258   2HB   CYS  35          2HB       CYS  35   0.022  -4.348   2.171
  259    H    ASN  36           H        ASN  36  -1.866  -4.831  -1.467
  260    HA   ASN  36           HA       ASN  36  -0.328  -6.508  -3.267
  261   1HB   ASN  36          1HB       ASN  36  -3.136  -5.922  -2.818
  262   2HB   ASN  36          2HB       ASN  36  -2.708  -5.985  -4.552
  263   1HD2  ASN  36          1HD2      ASN  36  -2.323  -9.356  -2.182
  264   2HD2  ASN  36          2HD2      ASN  36  -2.272  -7.777  -1.472
  265    H    PHE  37           H        PHE  37  -1.130  -3.162  -3.010
  266    HA   PHE  37           HA       PHE  37  -0.292  -2.365  -5.668
  267   1HB   PHE  37          1HB       PHE  37  -1.532  -0.773  -4.278
  268   2HB   PHE  37          2HB       PHE  37  -0.272  -0.851  -3.016
  269    HD1  PHE  37           HD1      PHE  37  -0.336  -0.415  -6.694
  270    HD2  PHE  37           HD2      PHE  37   0.985   1.180  -2.972
  271    HE1  PHE  37           HE1      PHE  37   0.935   1.310  -7.898
  272    HE2  PHE  37           HE2      PHE  37   2.479   2.752  -4.170
  273    HZ   PHE  37           HZ       PHE  37   2.528   2.728  -6.649
  274    H    CYS  38           H        CYS  38   1.343  -2.040  -2.495
  275    HA   CYS  38           HA       CYS  38   3.740  -1.291  -3.722
  276   1HB   CYS  38          1HB       CYS  38   3.203  -2.238  -0.899
  277   2HB   CYS  38          2HB       CYS  38   4.734  -1.508  -1.460
  278    H    ASN  39           H        ASN  39   2.507  -4.447  -3.123
  279    HA   ASN  39           HA       ASN  39   5.100  -5.807  -3.145
  280   1HB   ASN  39          1HB       ASN  39   2.258  -6.786  -3.323
  281   2HB   ASN  39          2HB       ASN  39   3.677  -7.840  -3.588
  282   1HD2  ASN  39          1HD2      ASN  39   2.390  -7.784   0.027
  283   2HD2  ASN  39          2HD2      ASN  39   1.574  -7.928  -1.495
  284    H    ALA  40           H        ALA  40   2.576  -4.731  -5.347
  285    HA   ALA  40           HA       ALA  40   3.813  -5.720  -7.705
  286   1HB   ALA  40          2HB       ALA  40   1.513  -4.240  -7.006
  287   2HB   ALA  40          3HB       ALA  40   2.407  -3.267  -8.202
  288   3HB   ALA  40          1HB       ALA  40   1.943  -4.944  -8.586
  289    H    VAL  41           H        VAL  41   4.378  -2.885  -5.718
  290    HA   VAL  41           HA       VAL  41   5.940  -1.407  -7.662
  291    HB   VAL  41           HB       VAL  41   5.790  -1.256  -4.644
  292   1HG1  VAL  41          3HG1      VAL  41   7.161   0.588  -6.613
  293   2HG1  VAL  41          1HG1      VAL  41   6.791   1.017  -4.924
  294   3HG1  VAL  41          2HG1      VAL  41   7.899  -0.331  -5.279
  295   1HG2  VAL  41          1HG2      VAL  41   3.715  -0.733  -6.022
  296   2HG2  VAL  41          2HG2      VAL  41   4.272   0.511  -4.877
  297   3HG2  VAL  41          3HG2      VAL  41   4.605   0.689  -6.617
  298    H    VAL  42           H        VAL  42   6.804  -3.322  -4.754
  299    HA   VAL  42           HA       VAL  42   9.562  -3.067  -5.185
  300    HB   VAL  42           HB       VAL  42   9.734  -4.989  -3.556
  301   1HG1  VAL  42          1HG1      VAL  42   8.217  -2.461  -2.954
  302   2HG1  VAL  42          2HG1      VAL  42   8.580  -3.646  -1.675
  303   3HG1  VAL  42          3HG1      VAL  42   9.906  -2.886  -2.588
  304   1HG2  VAL  42          3HG2      VAL  42   6.945  -5.265  -4.233
  305   2HG2  VAL  42          2HG2      VAL  42   8.003  -6.336  -3.281
  306   3HG2  VAL  42          1HG2      VAL  42   7.144  -4.995  -2.485
  307    H    GLU  43           H        GLU  43   7.343  -5.701  -6.087
  308    HA   GLU  43           HA       GLU  43   9.120  -7.346  -7.411
  309   1HB   GLU  43          1HB       GLU  43   6.288  -6.534  -8.071
  310   2HB   GLU  43          2HB       GLU  43   7.126  -7.692  -8.938
  311   1HG   GLU  43          1HG       GLU  43   5.495  -8.141  -6.915
  312   2HG   GLU  43          2HG       GLU  43   6.609  -9.331  -7.646
  313    H    SER  44           H        SER  44   7.731  -4.280  -8.491
  314    HA   SER  44           HA       SER  44   8.407  -4.673 -11.283
  315   1HB   SER  44          2HB       SER  44   7.473  -2.593 -11.695
  316   2HB   SER  44          1HB       SER  44   6.525  -3.223 -10.317
  317    HG   SER  44           HG       SER  44   6.947  -1.550  -9.266
  318    H    ASN  45           H        ASN  45   9.993  -3.450  -8.444
  319    HA   ASN  45           HA       ASN  45  12.215  -3.076  -8.085
  320   1HB   ASN  45          1HB       ASN  45  12.330  -4.728 -10.258
  321   2HB   ASN  45          2HB       ASN  45  13.209  -3.276 -10.821
  322   1HD2  ASN  45          1HD2      ASN  45  15.844  -3.560  -8.407
  323   2HD2  ASN  45          2HD2      ASN  45  14.906  -2.419  -9.312
  324    H    GLY  46           H        GLY  46  10.169  -1.167  -8.786
  325   1HA   GLY  46          1HA       GLY  46  10.318   1.123  -8.415
  326   2HA   GLY  46          2HA       GLY  46  12.045   1.063  -8.856
  327    H    THR  47           H        THR  47   9.206  -0.062 -10.705
  328    HA   THR  47           HA       THR  47   9.712   2.117 -12.677
  329    HB   THR  47           HB       THR  47  10.149  -0.277 -13.498
  330    HG1  THR  47           HG1      THR  47   8.103   1.180 -14.581
  331   1HG2  THR  47          2HG2      THR  47   7.649  -0.840 -12.409
  332   2HG2  THR  47          3HG2      THR  47   7.389  -0.848 -14.173
  333   3HG2  THR  47          1HG2      THR  47   8.647  -1.884 -13.452
  334    H    LEU  48           H        LEU  48   7.354   0.226 -10.847
  335    HA   LEU  48           HA       LEU  48   5.096   1.214 -12.261
  336   1HB   LEU  48          1HB       LEU  48   5.038  -0.926 -11.334
  337   2HB   LEU  48          2HB       LEU  48   5.547  -0.351  -9.725
  338    HG   LEU  48           HG       LEU  48   2.982   0.768 -10.634
  339   1HD1  LEU  48          2HD1      LEU  48   3.039  -1.602 -11.613
  340   2HD1  LEU  48          3HD1      LEU  48   3.022  -2.168  -9.924
  341   3HD1  LEU  48          1HD1      LEU  48   1.676  -1.180 -10.546
  342   1HD2  LEU  48          1HD2      LEU  48   4.251  -0.436  -8.207
  343   2HD2  LEU  48          3HD2      LEU  48   3.394   1.114  -8.409
  344   3HD2  LEU  48          2HD2      LEU  48   2.472  -0.407  -8.307
  345    H    THR  49           H        THR  49   5.367   1.502  -8.731
  346    HA   THR  49           HA       THR  49   4.845   3.210  -7.292
  347    HB   THR  49           HB       THR  49   5.341   5.325  -9.397
  348    HG1  THR  49           HG1      THR  49   7.194   3.721  -8.182
  349   1HG2  THR  49          2HG2      THR  49   6.091   5.016  -6.490
  350   2HG2  THR  49          3HG2      THR  49   6.765   6.290  -7.539
  351   3HG2  THR  49          1HG2      THR  49   5.007   6.204  -7.258
  352    H    LEU  50           H        LEU  50   3.326   4.970  -6.880
  353    HA   LEU  50           HA       LEU  50   0.831   4.045  -7.982
  354   1HB   LEU  50          1HB       LEU  50   0.899   4.230  -5.684
  355   2HB   LEU  50          2HB       LEU  50   1.748   5.800  -5.721
  356    HG   LEU  50           HG       LEU  50  -0.546   6.629  -6.737
  357   1HD1  LEU  50          3HD1      LEU  50  -1.135   3.959  -5.563
  358   2HD1  LEU  50          1HD1      LEU  50  -2.251   5.285  -5.153
  359   3HD1  LEU  50          2HD1      LEU  50  -1.964   4.858  -6.859
  360   1HD2  LEU  50          3HD2      LEU  50   0.779   6.862  -4.385
  361   2HD2  LEU  50          2HD2      LEU  50  -0.798   7.621  -4.717
  362   3HD2  LEU  50          1HD2      LEU  50  -0.723   6.080  -3.827
  363    H    SER  51           H        SER  51  -0.304   4.873  -9.558
  364    HA   SER  51           HA       SER  51   0.225   7.407 -10.712
  365   1HB   SER  51          1HB       SER  51  -0.716   5.533 -11.955
  366   2HB   SER  51          2HB       SER  51  -2.233   5.656 -11.019
  367    HG   SER  51           HG       SER  51  -2.938   7.114 -12.248
  368    H    HIS  52           H        HIS  52  -2.342   6.290  -8.507
  369    HA   HIS  52           HA       HIS  52  -2.429   8.802  -7.133
  370   1HB   HIS  52          1HB       HIS  52  -4.834   9.349  -7.691
  371   2HB   HIS  52          2HB       HIS  52  -3.643   9.734  -8.967
  372    HD1  HIS  52           HD1      HIS  52  -6.912   8.820  -9.113
  373    HD2  HIS  52           HD2      HIS  52  -3.511   6.748 -10.331
  374    HE1  HIS  52           HE1      HIS  52  -7.650   7.233 -10.909
  375    HE2  HIS  52           HE2      HIS  52  -5.551   6.170 -11.822
  376    H    PHE  53           H        PHE  53  -4.484   8.867  -5.720
  377    HA   PHE  53           HA       PHE  53  -5.257   6.102  -4.930
  378   1HB   PHE  53          1HB       PHE  53  -5.649   8.679  -3.341
  379   2HB   PHE  53          2HB       PHE  53  -6.203   7.048  -2.863
  380    HD1  PHE  53           HD2      PHE  53  -2.957   8.768  -3.865
  381    HD2  PHE  53           HD1      PHE  53  -4.896   5.689  -1.659
  382    HE1  PHE  53           HE2      PHE  53  -0.899   8.442  -2.530
  383    HE2  PHE  53           HE1      PHE  53  -2.867   5.337  -0.322
  384    HZ   PHE  53           HZ       PHE  53  -0.897   6.776  -0.691
  385    H    GLY  54           H        GLY  54  -6.523   6.002  -6.864
  386   1HA   GLY  54          2HA       GLY  54  -9.180   7.155  -6.496
  387   2HA   GLY  54          1HA       GLY  54  -8.393   7.620  -8.028
  388    H    LYS  55           H        LYS  55 -10.220   6.430  -8.969
  389    HA   LYS  55           HA       LYS  55  -9.689   3.503  -9.051
  390   1HB   LYS  55          1HB       LYS  55 -12.186   5.111  -9.701
  391   2HB   LYS  55          2HB       LYS  55 -12.007   3.352  -9.951
  392   1HG   LYS  55          1HG       LYS  55 -12.012   2.895  -7.660
  393   2HG   LYS  55          2HG       LYS  55 -11.554   4.566  -7.222
  394   1HD   LYS  55          1HD       LYS  55 -13.865   4.072  -6.632
  395   2HD   LYS  55          2HD       LYS  55 -13.690   5.400  -7.747
  396   1HE   LYS  55          1HE       LYS  55 -15.577   3.793  -8.199
  397   2HE   LYS  55          2HE       LYS  55 -14.502   4.223  -9.556
  398   1HZ   LYS  55          1HZ       LYS  55 -14.105   1.923  -7.921
  399   2HZ   LYS  55          2HZ       LYS  55 -15.077   1.924  -9.224
  400   3HZ   LYS  55          3HZ       LYS  55 -13.470   2.285  -9.374
  401    H    CYS  56           H        CYS  56  -8.082   5.318 -10.527
  402    HA   CYS  56           HA       CYS  56  -6.922   5.020 -12.454
  403   1HB   CYS  56          1HB       CYS  56  -7.668   2.635 -11.627
  404   2HB   CYS  56          2HB       CYS  56  -8.637   2.658 -13.128
   
  Start of MODEL           6
 Raw file had 404 H/Q atoms
  Start of MODEL    6
    1   1H    LEU   1          2H        LEU   1   0.583  19.364  -1.026
    2   2H    LEU   1          3H        LEU   1  -0.795  20.169  -1.374
    3   3H    LEU   1          1H        LEU   1   0.318  20.845  -0.387
    4    HA   LEU   1           HA       LEU   1  -0.092  19.458   1.355
    5   1HB   LEU   1          1HB       LEU   1  -2.012  21.069   0.165
    6   2HB   LEU   1          2HB       LEU   1  -2.895  19.555   0.511
    7    HG   LEU   1           HG       LEU   1  -1.469  21.349   2.491
    8   1HD1  LEU   1          3HD2      LEU   1  -3.859  21.727   1.354
    9   2HD1  LEU   1          2HD2      LEU   1  -4.348  20.572   2.620
   10   3HD1  LEU   1          1HD2      LEU   1  -3.547  22.100   3.068
   11   1HD2  LEU   1          2HD1      LEU   1  -1.528  18.695   2.770
   12   2HD2  LEU   1          3HD1      LEU   1  -1.797  19.800   4.141
   13   3HD2  LEU   1          1HD1      LEU   1  -3.186  19.049   3.316
   14    H    ALA   2           H        ALA   2  -1.044  18.254  -1.759
   15    HA   ALA   2           HA       ALA   2  -2.089  15.756  -0.616
   16   1HB   ALA   2          2HB       ALA   2  -2.291  17.227  -3.194
   17   2HB   ALA   2          1HB       ALA   2  -2.435  15.451  -3.245
   18   3HB   ALA   2          3HB       ALA   2  -3.541  16.406  -2.223
   19    H    ALA   3           H        ALA   3  -0.327  16.156  -3.671
   20    HA   ALA   3           HA       ALA   3   1.515  15.110  -4.549
   21   1HB   ALA   3          1HB       ALA   3   2.144  15.978  -1.892
   22   2HB   ALA   3          2HB       ALA   3   2.991  14.446  -2.227
   23   3HB   ALA   3          3HB       ALA   3   3.200  15.838  -3.320
   24    H    VAL   4           H        VAL   4   0.016  13.356  -5.080
   25    HA   VAL   4           HA       VAL   4  -0.345  11.221  -3.207
   26    HB   VAL   4           HB       VAL   4  -1.609  10.164  -5.082
   27   1HG1  VAL   4          1HG1      VAL   4  -2.265  12.417  -3.533
   28   2HG1  VAL   4          2HG1      VAL   4  -2.898  12.741  -5.165
   29   3HG1  VAL   4          3HG1      VAL   4  -3.371  11.256  -4.303
   30   1HG2  VAL   4          3HG2      VAL   4  -0.127  11.463  -6.821
   31   2HG2  VAL   4          1HG2      VAL   4  -1.821  11.050  -7.177
   32   3HG2  VAL   4          2HG2      VAL   4  -1.398  12.698  -6.653
   33    H    SER   5           H        SER   5   1.730  10.495  -2.741
   34    HA   SER   5           HA       SER   5   2.425   8.331  -4.611
   35   1HB   SER   5          1HB       SER   5   4.153  10.277  -4.673
   36   2HB   SER   5          2HB       SER   5   4.674   9.622  -3.094
   37    HG   SER   5           HG       SER   5   4.448   8.340  -5.695
   38    H    VAL   6           H        VAL   6   4.103   6.869  -3.253
   39    HA   VAL   6           HA       VAL   6   2.873   6.401  -0.598
   40    HB   VAL   6           HB       VAL   6   2.906   4.308  -2.772
   41   1HG1  VAL   6          1HG1      VAL   6   2.745   3.730  -0.258
   42   2HG1  VAL   6          3HG1      VAL   6   1.085   4.362  -0.377
   43   3HG1  VAL   6          2HG1      VAL   6   1.590   2.988  -1.390
   44   1HG2  VAL   6          1HG2      VAL   6   1.505   6.159  -3.532
   45   2HG2  VAL   6          3HG2      VAL   6   0.535   4.717  -3.143
   46   3HG2  VAL   6          2HG2      VAL   6   0.580   6.090  -2.012
   47    H    ASP   7           H        ASP   7   4.168   5.533   0.849
   48    HA   ASP   7           HA       ASP   7   6.909   4.976  -0.041
   49   1HB   ASP   7          1HB       ASP   7   6.707   6.697   1.575
   50   2HB   ASP   7          2HB       ASP   7   5.790   5.634   2.682
   51    H    CYS   8           H        CYS   8   7.075   2.974  -0.736
   52    HA   CYS   8           HA       CYS   8   6.156   0.803   1.086
   53   1HB   CYS   8          1HB       CYS   8   6.106   0.788  -1.943
   54   2HB   CYS   8          2HB       CYS   8   5.557  -0.505  -0.841
   55    H    SER   9           H        SER   9   8.770   2.145   0.850
   56    HA   SER   9           HA       SER   9  10.473   0.190  -0.450
   57   1HB   SER   9          1HB       SER   9  10.916   2.666  -0.354
   58   2HB   SER   9          2HB       SER   9  11.348   2.451   1.366
   59    HG   SER   9           HG       SER   9  12.679   1.913  -1.022
   60    H    GLU  10           H        GLU  10   9.570  -1.606   0.838
   61    HA   GLU  10           HA       GLU  10  11.049  -2.460   3.029
   62   1HB   GLU  10          1HB       GLU  10   9.495  -0.368   3.810
   63   2HB   GLU  10          2HB       GLU  10   8.379  -1.603   3.950
   64   1HG   GLU  10          1HG       GLU  10   9.855  -0.727   5.885
   65   2HG   GLU  10          2HG       GLU  10   9.054  -2.323   5.876
   66    OH   TYR  11           OH       TYR  11   2.120  -1.402   2.742
   67    H    TYR  11           H        TYR  11   7.910  -2.289   1.431
   68    HA   TYR  11           HA       TYR  11   7.063  -4.964   1.661
   69   1HB   TYR  11          1HB       TYR  11   6.939  -3.012  -0.663
   70   2HB   TYR  11          2HB       TYR  11   6.120  -4.599  -0.645
   71    HD1  TYR  11           HD2      TYR  11   6.231  -1.254   0.946
   72    HD2  TYR  11           HD1      TYR  11   3.995  -4.833   0.439
   73    HE1  TYR  11           HE2      TYR  11   4.362  -0.251   2.180
   74    HE2  TYR  11           HE1      TYR  11   2.147  -3.873   1.743
   75    HH   TYR  11           HH       TYR  11   2.610  -1.030   3.640
   76    HA   PRO  12           HA       PRO  12   6.050  -6.290  -0.043
   77   1HB   PRO  12          1HB       PRO  12   6.415  -8.882  -0.867
   78   2HB   PRO  12          2HB       PRO  12   6.360  -7.513  -2.013
   79   1HG   PRO  12          2HG       PRO  12   8.592  -9.250  -1.385
   80   2HG   PRO  12          1HG       PRO  12   8.518  -7.921  -2.577
   81   1HD   PRO  12          2HD       PRO  12   9.616  -7.905   0.222
   82   2HD   PRO  12          1HD       PRO  12  10.052  -6.881  -1.176
   83    H    LYS  13           H        LYS  13   4.920  -6.814   1.570
   84    HA   LYS  13           HA       LYS  13   6.380  -7.840   3.948
   85   1HB   LYS  13          1HB       LYS  13   4.017  -6.126   3.535
   86   2HB   LYS  13          2HB       LYS  13   3.783  -7.414   4.751
   87   1HG   LYS  13          1HG       LYS  13   4.931  -6.244   6.262
   88   2HG   LYS  13          2HG       LYS  13   6.345  -6.165   5.173
   89   1HD   LYS  13          1HD       LYS  13   5.327  -4.218   4.042
   90   2HD   LYS  13          2HD       LYS  13   3.998  -4.280   5.168
   91   1HE   LYS  13          1HE       LYS  13   5.842  -2.599   5.627
   92   2HE   LYS  13          2HE       LYS  13   5.252  -3.616   6.970
   93   1HZ   LYS  13          2HZ       LYS  13   7.551  -4.141   5.362
   94   2HZ   LYS  13          3HZ       LYS  13   7.543  -3.455   6.866
   95   3HZ   LYS  13          1HZ       LYS  13   7.039  -4.986   6.653
   96    HA   PRO  14           HA       PRO  14   3.791 -11.628   3.411
   97   1HB   PRO  14          1HB       PRO  14   4.238 -12.487   6.036
   98   2HB   PRO  14          2HB       PRO  14   5.401 -12.643   4.691
   99   1HG   PRO  14          1HG       PRO  14   5.691 -11.074   7.060
  100   2HG   PRO  14          2HG       PRO  14   6.774 -11.106   5.641
  101   1HD   PRO  14          1HD       PRO  14   4.631  -9.115   6.360
  102   2HD   PRO  14          2HD       PRO  14   6.149  -8.868   5.454
  103    H    ALA  15           H        ALA  15   2.886  -9.138   5.618
  104    HA   ALA  15           HA       ALA  15   0.480 -10.364   6.461
  105   1HB   ALA  15          2HB       ALA  15   1.662  -8.449   7.549
  106   2HB   ALA  15          3HB       ALA  15   1.043  -7.396   6.252
  107   3HB   ALA  15          1HB       ALA  15  -0.094  -8.224   7.346
  108    H    CYS  16           H        CYS  16  -1.504  -8.498   6.066
  109    HA   CYS  16           HA       CYS  16  -3.261  -8.046   4.659
  110   1HB   CYS  16          1HB       CYS  16  -1.025  -7.677   2.650
  111   2HB   CYS  16          2HB       CYS  16  -2.685  -7.022   2.558
  112    H    THR  17           H        THR  17  -4.711  -8.974   3.346
  113    HA   THR  17           HA       THR  17  -4.162 -11.165   1.565
  114    HB   THR  17           HB       THR  17  -3.550 -12.086   3.914
  115    HG1  THR  17           HG1      THR  17  -5.559 -13.198   2.434
  116   1HG2  THR  17          2HG2      THR  17  -6.211 -11.297   4.533
  117   2HG2  THR  17          1HG2      THR  17  -6.125 -13.076   4.600
  118   3HG2  THR  17          3HG2      THR  17  -4.991 -12.091   5.560
  119    H    LEU  18           H        LEU  18  -5.717  -8.714   1.743
  120    HA   LEU  18           HA       LEU  18  -8.130  -9.596   0.661
  121   1HB   LEU  18          1HB       LEU  18  -9.608  -8.579   2.578
  122   2HB   LEU  18          2HB       LEU  18  -9.071 -10.283   2.609
  123    HG   LEU  18           HG       LEU  18  -7.092  -9.177   4.045
  124   1HD1  LEU  18          2HD2      LEU  18  -9.404  -7.291   4.052
  125   2HD1  LEU  18          1HD2      LEU  18  -8.592  -7.606   5.607
  126   3HD1  LEU  18          3HD2      LEU  18  -7.659  -6.973   4.226
  127   1HD2  LEU  18          3HD1      LEU  18  -8.859 -10.999   4.573
  128   2HD2  LEU  18          2HD1      LEU  18  -8.115 -10.108   5.925
  129   3HD2  LEU  18          1HD1      LEU  18  -9.753  -9.679   5.370
  130   1H    GLU  19          1H        GLU  19  -5.938  -4.260   3.705
  131   2H    GLU  19          2H        GLU  19  -6.022  -3.148   4.899
  132   3H    GLU  19          3H        GLU  19  -6.348  -4.718   5.219
  133    HA   GLU  19           HA       GLU  19  -8.369  -4.721   4.203
  134   1HB   GLU  19          1HB       GLU  19  -8.259  -3.461   6.266
  135   2HB   GLU  19          2HB       GLU  19  -7.637  -2.133   5.462
  136   1HG   GLU  19          1HG       GLU  19 -10.062  -2.443   4.299
  137   2HG   GLU  19          2HG       GLU  19 -10.348  -2.682   6.046
  138    OH   TYR  20           OH       TYR  20 -10.939  -2.418  -5.288
  139    H    TYR  20           H        TYR  20  -9.879  -3.710   2.717
  140    HA   TYR  20           HA       TYR  20  -8.427  -3.225   0.287
  141   1HB   TYR  20          1HB       TYR  20 -10.408  -4.690   0.367
  142   2HB   TYR  20          2HB       TYR  20 -11.424  -3.282   0.798
  143    HD1  TYR  20           HD1      TYR  20 -11.465  -1.325  -0.916
  144    HD2  TYR  20           HD2      TYR  20  -9.951  -5.177  -1.889
  145    HE1  TYR  20           HE1      TYR  20 -11.494  -0.729  -3.298
  146    HE2  TYR  20           HE2      TYR  20  -9.988  -4.597  -4.273
  147    HH   TYR  20           HH       TYR  20  -9.920  -2.169  -5.577
  148    NH1  ARG  21           NH1      ARG  21  -7.911   4.684   1.377
  149    NH2  ARG  21           NH2      ARG  21  -8.906   5.671  -0.442
  150    H    ARG  21           H        ARG  21  -8.359  -1.493  -1.032
  151    HA   ARG  21           HA       ARG  21 -10.470   0.232  -1.356
  152   1HB   ARG  21          1HB       ARG  21  -9.529   2.436  -0.647
  153   2HB   ARG  21          2HB       ARG  21 -10.052   1.373   0.690
  154   1HG   ARG  21          1HG       ARG  21  -8.078   2.138   1.547
  155   2HG   ARG  21          2HG       ARG  21  -7.486   0.690   0.684
  156   1HD   ARG  21          1HD       ARG  21  -6.178   2.826   0.370
  157   2HD   ARG  21          2HD       ARG  21  -6.678   1.956  -1.108
  158    HE   ARG  21           HE       ARG  21  -7.798   3.858  -1.721
  159   1HH1  ARG  21          2HH1      ARG  21  -7.351   3.958   1.775
  160   2HH1  ARG  21          1HH1      ARG  21  -8.268   5.415   1.960
  161   1HH2  ARG  21          2HH2      ARG  21  -9.101   5.689  -1.423
  162   2HH2  ARG  21          1HH2      ARG  21  -9.258   6.396   0.151
  163    HA   PRO  22           HA       PRO  22  -8.055   0.121  -5.018
  164   1HB   PRO  22          1HB       PRO  22 -10.039   1.259  -6.496
  165   2HB   PRO  22          2HB       PRO  22 -10.278  -0.300  -5.655
  166   1HG   PRO  22          1HG       PRO  22 -11.521   2.297  -5.116
  167   2HG   PRO  22          2HG       PRO  22 -11.931   0.690  -4.452
  168   1HD   PRO  22          1HD       PRO  22 -10.290   2.865  -3.250
  169   2HD   PRO  22          2HD       PRO  22 -11.083   1.479  -2.455
  170    H    LEU  23           H        LEU  23  -6.338   0.929  -5.628
  171    HA   LEU  23           HA       LEU  23  -6.358   3.854  -6.171
  172   1HB   LEU  23          1HB       LEU  23  -3.783   2.352  -5.925
  173   2HB   LEU  23          2HB       LEU  23  -4.142   4.078  -5.658
  174    HG   LEU  23           HG       LEU  23  -5.499   2.921  -3.587
  175   1HD1  LEU  23          3HD1      LEU  23  -4.468   0.709  -4.339
  176   2HD1  LEU  23          1HD1      LEU  23  -2.908   1.380  -3.798
  177   3HD1  LEU  23          2HD1      LEU  23  -4.241   1.171  -2.633
  178   1HD2  LEU  23          3HD2      LEU  23  -3.830   4.822  -3.672
  179   2HD2  LEU  23          2HD2      LEU  23  -3.749   3.786  -2.224
  180   3HD2  LEU  23          1HD2      LEU  23  -2.546   3.595  -3.525
  181    H    CYS  24           H        CYS  24  -4.283   3.973  -7.904
  182    HA   CYS  24           HA       CYS  24  -4.493   1.683  -9.731
  183   1HB   CYS  24          1HB       CYS  24  -5.770   3.591 -10.750
  184   2HB   CYS  24          2HB       CYS  24  -4.234   4.501 -10.798
  185    H    GLY  25           H        GLY  25  -2.527   1.127 -10.657
  186   1HA   GLY  25          2HA       GLY  25  -0.086   2.270  -9.415
  187   2HA   GLY  25          1HA       GLY  25  -0.170   0.847 -10.490
  188    H    SER  26           H        SER  26   1.713   2.578 -11.126
  189    HA   SER  26           HA       SER  26   0.637   3.994 -13.513
  190   1HB   SER  26          2HB       SER  26   3.545   4.045 -12.784
  191   2HB   SER  26          1HB       SER  26   2.550   5.230 -13.677
  192    HG   SER  26           HG       SER  26   1.951   6.224 -11.996
  193    H    ASP  27           H        ASP  27   0.508   1.165 -13.217
  194    HA   ASP  27           HA       ASP  27   2.237   0.468 -15.524
  195   1HB   ASP  27          1HB       ASP  27   2.435  -1.744 -14.696
  196   2HB   ASP  27          2HB       ASP  27   2.889  -0.589 -13.409
  197    H    ASN  28           H        ASN  28  -0.546   1.603 -15.392
  198    HA   ASN  28           HA       ASN  28  -2.615   1.302 -16.257
  199   1HB   ASN  28          1HB       ASN  28  -1.024  -0.639 -17.920
  200   2HB   ASN  28          2HB       ASN  28  -2.729  -0.212 -18.243
  201   1HD2  ASN  28          1HD2      ASN  28   0.226   2.656 -18.721
  202   2HD2  ASN  28          2HD2      ASN  28   0.449   1.349 -17.604
  203    H    LYS  29           H        LYS  29  -1.845  -0.289 -13.884
  204    HA   LYS  29           HA       LYS  29  -4.235  -2.076 -14.042
  205   1HB   LYS  29          1HB       LYS  29  -2.036  -2.583 -12.080
  206   2HB   LYS  29          2HB       LYS  29  -3.157  -3.718 -12.883
  207   1HG   LYS  29          2HG       LYS  29  -0.911  -2.300 -14.352
  208   2HG   LYS  29          1HG       LYS  29  -0.702  -3.883 -13.549
  209   1HD   LYS  29          1HD       LYS  29  -2.768  -3.280 -15.681
  210   2HD   LYS  29          2HD       LYS  29  -1.164  -3.867 -16.027
  211   1HE   LYS  29          1HE       LYS  29  -3.436  -5.274 -14.704
  212   2HE   LYS  29          2HE       LYS  29  -2.391  -5.783 -16.059
  213   1HZ   LYS  29          2HZ       LYS  29  -0.649  -5.833 -14.479
  214   2HZ   LYS  29          3HZ       LYS  29  -1.773  -5.625 -13.284
  215   3HZ   LYS  29          1HZ       LYS  29  -1.820  -6.936 -14.244
  216    H    THR  30           H        THR  30  -5.799  -1.652 -12.683
  217    HA   THR  30           HA       THR  30  -5.566   0.135 -10.398
  218    HB   THR  30           HB       THR  30  -7.750  -1.894 -11.138
  219    HG1  THR  30           HG1      THR  30  -8.649  -0.454 -11.992
  220   1HG2  THR  30          3HG2      THR  30  -7.635  -1.151  -8.692
  221   2HG2  THR  30          2HG2      THR  30  -8.088   0.466  -9.290
  222   3HG2  THR  30          1HG2      THR  30  -9.178  -0.920  -9.554
  223    OH   TYR  31           OH       TYR  31   0.562  -3.505 -10.451
  224    H    TYR  31           H        TYR  31  -5.708  -0.512  -8.214
  225    HA   TYR  31           HA       TYR  31  -4.657  -3.252  -7.688
  226   1HB   TYR  31          2HB       TYR  31  -3.522  -0.555  -6.985
  227   2HB   TYR  31          1HB       TYR  31  -3.274  -1.936  -5.877
  228    HD1  TYR  31           HD2      TYR  31  -2.747  -4.187  -7.496
  229    HD2  TYR  31           HD1      TYR  31  -1.675  -0.161  -8.351
  230    HE1  TYR  31           HE2      TYR  31  -1.050  -4.984  -9.080
  231    HE2  TYR  31           HE1      TYR  31   0.060  -0.946  -9.904
  232    HH   TYR  31           HH       TYR  31   0.045  -4.233 -11.073
  233    H    GLY  32           H        GLY  32  -5.564  -4.303  -6.085
  234   1HA   GLY  32          1HA       GLY  32  -8.080  -3.505  -5.243
  235   2HA   GLY  32          2HA       GLY  32  -7.165  -4.856  -4.524
  236    H    ASN  33           H        ASN  33  -5.118  -3.761  -3.225
  237    HA   ASN  33           HA       ASN  33  -6.300  -1.686  -1.457
  238   1HB   ASN  33          1HB       ASN  33  -4.360  -3.623  -0.318
  239   2HB   ASN  33          2HB       ASN  33  -5.742  -2.774   0.428
  240   1HD2  ASN  33          1HD2      ASN  33  -6.089  -6.596  -0.444
  241   2HD2  ASN  33          2HD2      ASN  33  -4.773  -5.697   0.235
  242    H    LYS  34           H        LYS  34  -4.263  -1.089   0.152
  243    HA   LYS  34           HA       LYS  34  -2.165   0.171  -1.412
  244   1HB   LYS  34          1HB       LYS  34  -2.828   1.030   0.795
  245   2HB   LYS  34          2HB       LYS  34  -2.288  -0.497   1.548
  246   1HG   LYS  34          1HG       LYS  34  -0.233   0.346   1.762
  247   2HG   LYS  34          2HG       LYS  34  -0.118   0.500  -0.014
  248   1HD   LYS  34          1HD       LYS  34  -0.595   2.704  -0.024
  249   2HD   LYS  34          2HD       LYS  34  -1.656   2.597   1.353
  250   1HE   LYS  34          1HE       LYS  34   0.509   3.891   1.641
  251   2HE   LYS  34          2HE       LYS  34   0.030   2.720   2.900
  252   1HZ   LYS  34          3HZ       LYS  34   1.774   2.113   0.731
  253   2HZ   LYS  34          1HZ       LYS  34   2.287   2.676   2.167
  254   3HZ   LYS  34          2HZ       LYS  34   1.487   1.261   2.119
  255    H    CYS  35           H        CYS  35  -2.697  -2.900   0.245
  256    HA   CYS  35           HA       CYS  35   0.094  -3.581   0.298
  257   1HB   CYS  35          1HB       CYS  35  -2.469  -4.953   1.049
  258   2HB   CYS  35          2HB       CYS  35  -0.941  -5.877   0.961
  259    H    ASN  36           H        ASN  36  -2.551  -4.140  -1.903
  260    HA   ASN  36           HA       ASN  36  -0.976  -5.998  -3.491
  261   1HB   ASN  36          1HB       ASN  36  -3.521  -4.726  -4.429
  262   2HB   ASN  36          2HB       ASN  36  -2.823  -6.325  -4.813
  263   1HD2  ASN  36          1HD2      ASN  36  -3.659  -7.255  -1.199
  264   2HD2  ASN  36          2HD2      ASN  36  -2.167  -6.950  -2.023
  265    H    PHE  37           H        PHE  37  -1.534  -2.587  -3.321
  266    HA   PHE  37           HA       PHE  37  -0.363  -1.855  -5.848
  267   1HB   PHE  37          1HB       PHE  37  -1.584  -0.188  -4.523
  268   2HB   PHE  37          2HB       PHE  37  -0.407  -0.351  -3.191
  269    HD1  PHE  37           HD1      PHE  37  -0.427   0.230  -6.847
  270    HD2  PHE  37           HD2      PHE  37   1.238   1.375  -3.095
  271    HE1  PHE  37           HE1      PHE  37   1.009   1.857  -7.998
  272    HE2  PHE  37           HE2      PHE  37   2.857   2.844  -4.258
  273    HZ   PHE  37           HZ       PHE  37   2.800   2.994  -6.732
  274    H    CYS  38           H        CYS  38   1.036  -1.752  -2.544
  275    HA   CYS  38           HA       CYS  38   3.552  -1.094  -3.428
  276   1HB   CYS  38          1HB       CYS  38   2.826  -2.555  -0.875
  277   2HB   CYS  38          2HB       CYS  38   4.376  -1.732  -1.204
  278    H    ASN  39           H        ASN  39   2.111  -4.256  -3.277
  279    HA   ASN  39           HA       ASN  39   4.679  -5.680  -3.355
  280   1HB   ASN  39          1HB       ASN  39   1.817  -6.603  -3.382
  281   2HB   ASN  39          2HB       ASN  39   3.191  -7.688  -3.742
  282   1HD2  ASN  39          1HD2      ASN  39   2.108  -7.515  -0.033
  283   2HD2  ASN  39          2HD2      ASN  39   1.119  -7.320  -1.441
  284    H    ALA  40           H        ALA  40   2.171  -4.447  -5.453
  285    HA   ALA  40           HA       ALA  40   3.138  -5.532  -7.924
  286   1HB   ALA  40          1HB       ALA  40   1.222  -3.567  -7.031
  287   2HB   ALA  40          2HB       ALA  40   2.183  -2.935  -8.393
  288   3HB   ALA  40          3HB       ALA  40   1.303  -4.475  -8.562
  289    H    VAL  41           H        VAL  41   4.159  -2.934  -5.788
  290    HA   VAL  41           HA       VAL  41   5.723  -1.580  -7.805
  291    HB   VAL  41           HB       VAL  41   5.652  -1.238  -4.799
  292   1HG1  VAL  41          3HG1      VAL  41   7.313   0.001  -6.830
  293   2HG1  VAL  41          1HG1      VAL  41   6.317   1.202  -5.974
  294   3HG1  VAL  41          2HG1      VAL  41   7.391   0.119  -5.055
  295   1HG2  VAL  41          1HG2      VAL  41   3.582  -0.813  -6.511
  296   2HG2  VAL  41          3HG2      VAL  41   3.836   0.057  -4.979
  297   3HG2  VAL  41          2HG2      VAL  41   4.371   0.783  -6.514
  298    H    VAL  42           H        VAL  42   6.479  -3.621  -4.973
  299    HA   VAL  42           HA       VAL  42   9.334  -3.433  -5.314
  300    HB   VAL  42           HB       VAL  42   9.349  -5.417  -3.779
  301   1HG1  VAL  42          2HG1      VAL  42   8.290  -2.729  -3.161
  302   2HG1  VAL  42          3HG1      VAL  42   8.027  -3.969  -1.912
  303   3HG1  VAL  42          1HG1      VAL  42   9.676  -3.613  -2.480
  304   1HG2  VAL  42          2HG2      VAL  42   6.537  -5.444  -4.438
  305   2HG2  VAL  42          3HG2      VAL  42   7.525  -6.653  -3.583
  306   3HG2  VAL  42          1HG2      VAL  42   6.781  -5.311  -2.680
  307    H    GLU  43           H        GLU  43   6.814  -5.687  -6.388
  308    HA   GLU  43           HA       GLU  43   8.427  -7.392  -7.885
  309   1HB   GLU  43          1HB       GLU  43   5.651  -6.307  -8.374
  310   2HB   GLU  43          2HB       GLU  43   6.363  -7.476  -9.335
  311   1HG   GLU  43          1HG       GLU  43   4.766  -7.899  -7.266
  312   2HG   GLU  43          2HG       GLU  43   5.720  -9.135  -8.133
  313    H    SER  44           H        SER  44   7.264  -4.143  -8.649
  314    HA   SER  44           HA       SER  44   7.645  -4.333 -11.513
  315   1HB   SER  44          1HB       SER  44   7.080  -2.100 -11.639
  316   2HB   SER  44          2HB       SER  44   6.138  -2.687 -10.239
  317    HG   SER  44           HG       SER  44   8.639  -1.207 -10.359
  318    H    ASN  45           H        ASN  45   9.673  -3.790  -8.759
  319    HA   ASN  45           HA       ASN  45  11.946  -3.882  -8.614
  320   1HB   ASN  45          1HB       ASN  45  11.836  -5.513 -10.479
  321   2HB   ASN  45          2HB       ASN  45  12.072  -4.154 -11.614
  322   1HD2  ASN  45          1HD2      ASN  45  15.172  -5.029  -9.004
  323   2HD2  ASN  45          2HD2      ASN  45  13.530  -5.079  -8.454
  324    H    GLY  46           H        GLY  46  10.358  -1.553  -8.728
  325   1HA   GLY  46          1HA       GLY  46  10.875   0.681  -8.392
  326   2HA   GLY  46          2HA       GLY  46  12.547   0.327  -8.904
  327    H    THR  47           H        THR  47   9.268   1.069 -10.004
  328    HA   THR  47           HA       THR  47  10.097   2.430 -12.376
  329    HB   THR  47           HB       THR  47  10.642   0.026 -13.053
  330    HG1  THR  47           HG1      THR  47  10.452   1.441 -14.315
  331   1HG2  THR  47          1HG2      THR  47   7.670  -0.281 -12.708
  332   2HG2  THR  47          3HG2      THR  47   8.552  -1.220 -13.939
  333   3HG2  THR  47          2HG2      THR  47   8.989  -1.376 -12.219
  334    H    LEU  48           H        LEU  48   7.601   0.565 -10.684
  335    HA   LEU  48           HA       LEU  48   5.457   1.599 -12.274
  336   1HB   LEU  48          1HB       LEU  48   5.346  -0.583 -11.380
  337   2HB   LEU  48          2HB       LEU  48   5.657  -0.005  -9.720
  338    HG   LEU  48           HG       LEU  48   3.195   1.017 -11.021
  339   1HD1  LEU  48          3HD1      LEU  48   3.328  -1.392 -11.731
  340   2HD1  LEU  48          2HD1      LEU  48   3.357  -1.835 -10.006
  341   3HD1  LEU  48          1HD1      LEU  48   1.940  -0.995 -10.685
  342   1HD2  LEU  48          1HD2      LEU  48   4.305   0.322  -8.365
  343   2HD2  LEU  48          3HD2      LEU  48   3.204   1.638  -8.848
  344   3HD2  LEU  48          2HD2      LEU  48   2.566  -0.003  -8.580
  345    H    THR  49           H        THR  49   5.535   1.786  -8.727
  346    HA   THR  49           HA       THR  49   4.801   3.379  -7.276
  347    HB   THR  49           HB       THR  49   5.718   5.572  -7.441
  348    HG1  THR  49           HG1      THR  49   4.988   6.168  -9.086
  349   1HG2  THR  49          2HG2      THR  49   7.366   3.427  -7.766
  350   2HG2  THR  49          3HG2      THR  49   7.855   4.468  -9.127
  351   3HG2  THR  49          1HG2      THR  49   7.897   5.101  -7.462
  352    H    LEU  50           H        LEU  50   3.402   5.314  -6.978
  353    HA   LEU  50           HA       LEU  50   0.959   4.303  -8.084
  354   1HB   LEU  50          1HB       LEU  50   1.021   4.626  -5.792
  355   2HB   LEU  50          2HB       LEU  50   1.781   6.236  -5.930
  356    HG   LEU  50           HG       LEU  50  -0.559   6.838  -7.031
  357   1HD1  LEU  50          1HD1      LEU  50  -1.023   4.335  -5.432
  358   2HD1  LEU  50          2HD1      LEU  50  -2.254   5.624  -5.447
  359   3HD1  LEU  50          3HD1      LEU  50  -1.750   4.854  -6.973
  360   1HD2  LEU  50          1HD2      LEU  50   0.759   7.425  -4.771
  361   2HD2  LEU  50          2HD2      LEU  50  -0.904   7.981  -5.091
  362   3HD2  LEU  50          3HD2      LEU  50  -0.624   6.549  -4.067
  363    H    SER  51           H        SER  51  -0.749   5.461  -9.030
  364    HA   SER  51           HA       SER  51   0.053   7.979 -10.375
  365   1HB   SER  51          1HB       SER  51  -0.552   6.219 -11.884
  366   2HB   SER  51          2HB       SER  51  -2.110   5.965 -11.049
  367    HG   SER  51           HG       SER  51  -2.785   8.052 -11.555
  368    H    HIS  52           H        HIS  52  -2.654   6.483  -8.590
  369    HA   HIS  52           HA       HIS  52  -3.225   8.955  -7.161
  370   1HB   HIS  52          1HB       HIS  52  -5.551   9.164  -8.076
  371   2HB   HIS  52          2HB       HIS  52  -4.263   9.638  -9.221
  372    HD1  HIS  52           HD1      HIS  52  -7.293   8.484  -9.899
  373    HD2  HIS  52           HD2      HIS  52  -3.636   6.522 -10.240
  374    HE1  HIS  52           HE1      HIS  52  -7.617   6.665 -11.593
  375    HE2  HIS  52           HE2      HIS  52  -5.364   5.585 -11.923
  376    H    PHE  53           H        PHE  53  -5.111   8.731  -5.773
  377    HA   PHE  53           HA       PHE  53  -4.927   6.026  -4.651
  378   1HB   PHE  53          1HB       PHE  53  -5.520   8.751  -3.485
  379   2HB   PHE  53          2HB       PHE  53  -6.026   7.273  -2.615
  380    HD1  PHE  53           HD2      PHE  53  -2.960   8.951  -4.062
  381    HD2  PHE  53           HD1      PHE  53  -4.555   5.963  -1.483
  382    HE1  PHE  53           HE2      PHE  53  -0.790   8.822  -2.884
  383    HE2  PHE  53           HE1      PHE  53  -2.391   5.763  -0.343
  384    HZ   PHE  53           HZ       PHE  53  -0.529   7.245  -0.989
  385    H    GLY  54           H        GLY  54  -6.828   6.774  -6.848
  386   1HA   GLY  54          1HA       GLY  54  -9.163   5.487  -5.517
  387   2HA   GLY  54          2HA       GLY  54  -9.407   6.642  -6.856
  388    H    LYS  55           H        LYS  55 -10.445   4.405  -7.489
  389    HA   LYS  55           HA       LYS  55  -8.795   2.576  -8.985
  390   1HB   LYS  55          1HB       LYS  55 -11.541   3.518  -9.824
  391   2HB   LYS  55          2HB       LYS  55 -10.745   1.949 -10.133
  392   1HG   LYS  55          1HG       LYS  55 -11.425   1.070  -8.162
  393   2HG   LYS  55          2HG       LYS  55 -11.153   2.594  -7.269
  394   1HD   LYS  55          1HD       LYS  55 -13.362   2.895  -9.086
  395   2HD   LYS  55          2HD       LYS  55 -13.581   1.455  -8.130
  396   1HE   LYS  55          1HE       LYS  55 -12.657   3.517  -6.396
  397   2HE   LYS  55          2HE       LYS  55 -13.999   4.144  -7.390
  398   1HZ   LYS  55          3HZ       LYS  55 -14.079   1.637  -6.047
  399   2HZ   LYS  55          1HZ       LYS  55 -14.528   3.032  -5.341
  400   3HZ   LYS  55          2HZ       LYS  55 -15.311   2.541  -6.678
  401    H    CYS  56           H        CYS  56  -8.983   2.569 -11.437
  402    HA   CYS  56           HA       CYS  56  -7.196   4.702 -11.939
  403   1HB   CYS  56          1HB       CYS  56  -7.257   2.119 -12.580
  404   2HB   CYS  56          2HB       CYS  56  -7.930   2.770 -14.100
   
  Start of MODEL           7
 Raw file had 404 H/Q atoms
  Start of MODEL    7
    1   1H    LEU   1          1H        LEU   1   5.617  13.451   5.280
    2   2H    LEU   1          3H        LEU   1   4.507  13.565   6.472
    3   3H    LEU   1          2H        LEU   1   4.324  12.454   5.289
    4    HA   LEU   1           HA       LEU   1   2.825  14.092   4.764
    5   1HB   LEU   1          1HB       LEU   1   3.396  16.426   4.865
    6   2HB   LEU   1          2HB       LEU   1   3.826  15.634   6.408
    7    HG   LEU   1           HG       LEU   1   5.989  15.935   4.390
    8   1HD1  LEU   1          2HD1      LEU   1   4.608  18.210   5.802
    9   2HD1  LEU   1          3HD1      LEU   1   6.360  18.267   5.482
   10   3HD1  LEU   1          1HD1      LEU   1   5.212  18.116   4.128
   11   1HD2  LEU   1          2HD2      LEU   1   5.549  15.775   7.330
   12   2HD2  LEU   1          3HD2      LEU   1   6.799  15.018   6.310
   13   3HD2  LEU   1          1HD2      LEU   1   6.944  16.733   6.770
   14    H    ALA   2           H        ALA   2   3.740  12.345   3.168
   15    HA   ALA   2           HA       ALA   2   5.334  13.330   0.941
   16   1HB   ALA   2          2HB       ALA   2   4.644  10.871   1.732
   17   2HB   ALA   2          1HB       ALA   2   3.323  11.170   0.573
   18   3HB   ALA   2          3HB       ALA   2   5.020  11.280   0.038
   19    H    ALA   3           H        ALA   3   4.222  13.277  -1.279
   20    HA   ALA   3           HA       ALA   3   1.961  15.209  -1.064
   21   1HB   ALA   3          3HB       ALA   3   4.238  15.964  -1.944
   22   2HB   ALA   3          1HB       ALA   3   3.883  14.969  -3.378
   23   3HB   ALA   3          2HB       ALA   3   2.806  16.321  -2.943
   24    H    VAL   4           H        VAL   4   0.458  13.465  -1.022
   25    HA   VAL   4           HA       VAL   4  -0.839  11.760  -1.797
   26    HB   VAL   4           HB       VAL   4  -1.361  13.821  -3.161
   27   1HG1  VAL   4          2HG1      VAL   4   0.534  12.531  -5.020
   28   2HG1  VAL   4          3HG1      VAL   4  -0.996  13.078  -5.747
   29   3HG1  VAL   4          1HG1      VAL   4   0.035  14.232  -4.869
   30   1HG2  VAL   4          1HG2      VAL   4  -2.810  11.835  -2.948
   31   2HG2  VAL   4          3HG2      VAL   4  -2.987  12.669  -4.510
   32   3HG2  VAL   4          2HG2      VAL   4  -2.058  11.154  -4.411
   33    H    SER   5           H        SER   5   1.947  11.123  -1.613
   34    HA   SER   5           HA       SER   5   2.238   9.215  -3.884
   35   1HB   SER   5          1HB       SER   5   4.700   9.172  -3.019
   36   2HB   SER   5          2HB       SER   5   4.146  10.453  -4.135
   37    HG   SER   5           HG       SER   5   4.465  11.936  -2.766
   38    H    VAL   6           H        VAL   6   3.910   7.420  -2.979
   39    HA   VAL   6           HA       VAL   6   2.752   6.355  -0.479
   40    HB   VAL   6           HB       VAL   6   2.555   4.992  -3.178
   41   1HG1  VAL   6          1HG1      VAL   6   2.868   3.748  -0.706
   42   2HG1  VAL   6          3HG1      VAL   6   1.117   3.689  -1.018
   43   3HG1  VAL   6          2HG1      VAL   6   2.256   3.019  -2.210
   44   1HG2  VAL   6          3HG2      VAL   6   0.881   6.799  -2.680
   45   2HG2  VAL   6          1HG2      VAL   6   0.203   5.187  -3.011
   46   3HG2  VAL   6          2HG2      VAL   6   0.296   5.787  -1.338
   47    H    ASP   7           H        ASP   7   3.926   4.760   0.505
   48    HA   ASP   7           HA       ASP   7   6.777   4.892  -0.300
   49   1HB   ASP   7          1HB       ASP   7   5.838   5.360   2.509
   50   2HB   ASP   7          2HB       ASP   7   7.378   5.814   1.724
   51    H    CYS   8           H        CYS   8   7.153   2.841  -0.824
   52    HA   CYS   8           HA       CYS   8   6.347   0.736   1.121
   53   1HB   CYS   8          1HB       CYS   8   6.108   0.671  -1.897
   54   2HB   CYS   8          2HB       CYS   8   5.645  -0.620  -0.754
   55    H    SER   9           H        SER   9   8.923   1.868   1.023
   56    HA   SER   9           HA       SER   9  10.574  -0.147  -0.390
   57   1HB   SER   9          1HB       SER   9  11.077   2.441  -0.218
   58   2HB   SER   9          2HB       SER   9  11.787   1.963   1.351
   59    HG   SER   9           HG       SER   9  13.436   1.855  -0.003
   60    H    GLU  10           H        GLU  10   9.474  -1.760   0.984
   61    HA   GLU  10           HA       GLU  10  10.891  -2.595   3.224
   62   1HB   GLU  10          1HB       GLU  10   9.455  -0.379   3.885
   63   2HB   GLU  10          2HB       GLU  10   8.272  -1.543   4.085
   64   1HG   GLU  10          1HG       GLU  10  10.425  -0.859   5.780
   65   2HG   GLU  10          2HG       GLU  10   8.821  -1.537   6.179
   66    OH   TYR  11           OH       TYR  11   2.083  -1.132   2.855
   67    H    TYR  11           H        TYR  11   7.786  -2.328   1.578
   68    HA   TYR  11           HA       TYR  11   6.814  -4.963   1.891
   69   1HB   TYR  11          2HB       TYR  11   6.819  -3.091  -0.501
   70   2HB   TYR  11          1HB       TYR  11   5.917  -4.630  -0.432
   71    HD1  TYR  11           HD2      TYR  11   6.211  -1.261   1.097
   72    HD2  TYR  11           HD1      TYR  11   3.763  -4.701   0.611
   73    HE1  TYR  11           HE2      TYR  11   4.400  -0.131   2.305
   74    HE2  TYR  11           HE1      TYR  11   1.939  -3.583   1.819
   75    HH   TYR  11           HH       TYR  11   2.402  -1.187   3.894
   76    HA   PRO  12           HA       PRO  12   5.801  -6.227   0.111
   77   1HB   PRO  12          1HB       PRO  12   6.044  -8.790  -0.841
   78   2HB   PRO  12          2HB       PRO  12   6.178  -7.357  -1.897
   79   1HG   PRO  12          1HG       PRO  12   8.225  -9.291  -1.226
   80   2HG   PRO  12          2HG       PRO  12   8.346  -7.879  -2.314
   81   1HD   PRO  12          1HD       PRO  12   9.196  -8.146   0.555
   82   2HD   PRO  12          2HD       PRO  12   9.833  -7.070  -0.722
   83    H    LYS  13           H        LYS  13   4.357  -7.433   1.276
   84    HA   LYS  13           HA       LYS  13   5.565  -8.418   3.823
   85   1HB   LYS  13          1HB       LYS  13   3.660  -6.182   3.294
   86   2HB   LYS  13          2HB       LYS  13   3.389  -7.198   4.739
   87   1HG   LYS  13          1HG       LYS  13   5.352  -6.509   5.762
   88   2HG   LYS  13          2HG       LYS  13   6.135  -6.083   4.214
   89   1HD   LYS  13          2HD       LYS  13   5.111  -4.067   4.055
   90   2HD   LYS  13          1HD       LYS  13   3.745  -4.517   5.039
   91   1HE   LYS  13          2HE       LYS  13   5.863  -4.733   6.785
   92   2HE   LYS  13          1HE       LYS  13   6.324  -3.342   5.767
   93   1HZ   LYS  13          1HZ       LYS  13   3.767  -3.656   6.997
   94   2HZ   LYS  13          2HZ       LYS  13   5.026  -2.899   7.692
   95   3HZ   LYS  13          3HZ       LYS  13   4.395  -2.346   6.267
   96    HA   PRO  14           HA       PRO  14   2.472 -11.780   2.658
   97   1HB   PRO  14          1HB       PRO  14   3.969 -13.091   4.796
   98   2HB   PRO  14          2HB       PRO  14   3.905 -13.515   3.063
   99   1HG   PRO  14          1HG       PRO  14   5.949 -11.966   4.555
  100   2HG   PRO  14          2HG       PRO  14   6.082 -12.813   2.989
  101   1HD   PRO  14          1HD       PRO  14   6.087 -10.094   3.108
  102   2HD   PRO  14          2HD       PRO  14   5.236 -10.932   1.775
  103    H    ALA  15           H        ALA  15   3.283 -10.013   5.524
  104    HA   ALA  15           HA       ALA  15   0.670 -10.532   6.719
  105   1HB   ALA  15          1HB       ALA  15   3.050  -9.462   7.612
  106   2HB   ALA  15          3HB       ALA  15   2.001  -8.031   7.445
  107   3HB   ALA  15          2HB       ALA  15   1.481  -9.404   8.455
  108    H    CYS  16           H        CYS  16  -0.780 -10.175   5.054
  109    HA   CYS  16           HA       CYS  16  -1.260  -7.280   4.580
  110   1HB   CYS  16          1HB       CYS  16  -2.030  -9.585   2.774
  111   2HB   CYS  16          2HB       CYS  16  -2.626  -7.909   2.616
  112    H    THR  17           H        THR  17  -3.833  -7.280   3.920
  113    HA   THR  17           HA       THR  17  -5.270  -9.209   5.630
  114    HB   THR  17           HB       THR  17  -6.428  -6.415   5.423
  115    HG1  THR  17           HG1      THR  17  -4.640  -7.366   7.260
  116   1HG2  THR  17          1HG2      THR  17  -7.053  -8.818   6.865
  117   2HG2  THR  17          3HG2      THR  17  -6.787  -7.476   8.006
  118   3HG2  THR  17          2HG2      THR  17  -7.980  -7.306   6.693
  119    H    LEU  18           H        LEU  18  -4.524  -8.828   2.751
  120    HA   LEU  18           HA       LEU  18  -6.925  -9.806   1.692
  121   1HB   LEU  18          1HB       LEU  18  -6.736  -6.937   1.717
  122   2HB   LEU  18          2HB       LEU  18  -6.727  -7.522   0.029
  123    HG   LEU  18           HG       LEU  18  -8.859  -7.947   2.134
  124   1HD1  LEU  18          3HD2      LEU  18  -8.447  -5.802   0.609
  125   2HD1  LEU  18          2HD2      LEU  18  -9.285  -6.811  -0.597
  126   3HD1  LEU  18          1HD2      LEU  18 -10.084  -6.420   0.948
  127   1HD2  LEU  18          1HD1      LEU  18  -8.147  -9.770   0.181
  128   2HD2  LEU  18          2HD1      LEU  18  -9.750  -9.625   0.944
  129   3HD2  LEU  18          3HD1      LEU  18  -9.425  -8.812  -0.608
  130   1H    GLU  19          1H        GLU  19  -5.988  -4.162   3.703
  131   2H    GLU  19          3H        GLU  19  -6.555  -2.880   4.543
  132   3H    GLU  19          2H        GLU  19  -6.481  -4.351   5.250
  133    HA   GLU  19           HA       GLU  19  -8.243  -5.213   4.126
  134   1HB   GLU  19          1HB       GLU  19  -9.959  -3.712   4.593
  135   2HB   GLU  19          2HB       GLU  19  -8.757  -3.585   5.748
  136   1HG   GLU  19          1HG       GLU  19  -8.507  -1.599   3.723
  137   2HG   GLU  19          2HG       GLU  19 -10.011  -1.489   4.681
  138    OH   TYR  20           OH       TYR  20 -11.467  -2.076  -5.367
  139    H    TYR  20           H        TYR  20 -10.111  -3.666   2.593
  140    HA   TYR  20           HA       TYR  20  -8.742  -3.532  -0.036
  141   1HB   TYR  20          1HB       TYR  20 -10.844  -4.822   0.064
  142   2HB   TYR  20          2HB       TYR  20 -11.699  -3.367   0.656
  143    HD1  TYR  20           HD1      TYR  20 -11.640  -1.283  -0.902
  144    HD2  TYR  20           HD2      TYR  20 -10.516  -5.157  -2.246
  145    HE1  TYR  20           HE1      TYR  20 -11.797  -0.514  -3.229
  146    HE2  TYR  20           HE2      TYR  20 -10.615  -4.384  -4.574
  147    HH   TYR  20           HH       TYR  20 -12.512  -1.778  -5.423
  148    NH1  ARG  21           NH1      ARG  21  -6.087   4.929   2.061
  149    NH2  ARG  21           NH2      ARG  21  -4.862   4.858   0.120
  150    H    ARG  21           H        ARG  21  -8.507  -1.705  -1.161
  151    HA   ARG  21           HA       ARG  21 -10.470   0.191  -1.324
  152   1HB   ARG  21          1HB       ARG  21  -9.343   2.262  -0.441
  153   2HB   ARG  21          2HB       ARG  21 -10.007   1.149   0.789
  154   1HG   ARG  21          1HG       ARG  21  -7.927   0.552   1.576
  155   2HG   ARG  21          2HG       ARG  21  -7.108   0.931   0.034
  156   1HD   ARG  21          1HD       ARG  21  -8.363   3.272   1.176
  157   2HD   ARG  21          2HD       ARG  21  -7.237   2.501   2.329
  158    HE   ARG  21           HE       ARG  21  -6.012   2.688  -0.235
  159   1HH1  ARG  21          2HH1      ARG  21  -6.770   4.532   2.674
  160   2HH1  ARG  21          1HH1      ARG  21  -5.625   5.780   2.313
  161   1HH2  ARG  21          2HH2      ARG  21  -4.617   4.403  -0.737
  162   2HH2  ARG  21          1HH2      ARG  21  -4.404   5.707   0.384
  163    HA   PRO  22           HA       PRO  22  -7.980   0.171  -4.959
  164   1HB   PRO  22          1HB       PRO  22  -9.936   1.341  -6.423
  165   2HB   PRO  22          2HB       PRO  22 -10.223  -0.215  -5.591
  166   1HG   PRO  22          1HG       PRO  22 -11.353   2.447  -5.022
  167   2HG   PRO  22          2HG       PRO  22 -11.889   0.841  -4.452
  168   1HD   PRO  22          1HD       PRO  22 -10.212   2.853  -3.067
  169   2HD   PRO  22          2HD       PRO  22 -11.043   1.427  -2.392
  170    H    LEU  23           H        LEU  23  -6.401   1.050  -5.869
  171    HA   LEU  23           HA       LEU  23  -6.453   4.009  -6.072
  172   1HB   LEU  23          1HB       LEU  23  -3.842   2.548  -6.151
  173   2HB   LEU  23          2HB       LEU  23  -4.205   4.240  -5.716
  174    HG   LEU  23           HG       LEU  23  -5.390   2.921  -3.653
  175   1HD1  LEU  23          1HD1      LEU  23  -4.558   0.744  -4.518
  176   2HD1  LEU  23          3HD1      LEU  23  -2.890   1.347  -4.346
  177   3HD1  LEU  23          2HD1      LEU  23  -3.920   1.153  -2.904
  178   1HD2  LEU  23          3HD2      LEU  23  -3.473   4.749  -3.962
  179   2HD2  LEU  23          2HD2      LEU  23  -3.759   3.927  -2.408
  180   3HD2  LEU  23          1HD2      LEU  23  -2.444   3.378  -3.477
  181    H    CYS  24           H        CYS  24  -4.469   4.286  -7.933
  182    HA   CYS  24           HA       CYS  24  -4.905   2.217  -9.976
  183   1HB   CYS  24          1HB       CYS  24  -6.101   4.287 -10.708
  184   2HB   CYS  24          2HB       CYS  24  -4.527   5.129 -10.706
  185    H    GLY  25           H        GLY  25  -3.063   1.215 -10.280
  186   1HA   GLY  25          2HA       GLY  25  -0.486   2.536  -9.571
  187   2HA   GLY  25          1HA       GLY  25  -0.713   0.796  -9.898
  188    H    SER  26           H        SER  26   1.048   2.891 -11.128
  189    HA   SER  26           HA       SER  26  -0.203   3.420 -13.721
  190   1HB   SER  26          2HB       SER  26   1.375   4.915 -12.009
  191   2HB   SER  26          1HB       SER  26   2.491   4.472 -13.334
  192    HG   SER  26           HG       SER  26   1.024   5.183 -14.888
  193    H    ASP  27           H        ASP  27   0.407   0.743 -13.407
  194    HA   ASP  27           HA       ASP  27   2.592   0.437 -15.388
  195   1HB   ASP  27          1HB       ASP  27   2.684  -1.909 -14.893
  196   2HB   ASP  27          2HB       ASP  27   2.954  -0.937 -13.418
  197    H    ASN  28           H        ASN  28  -0.796  -0.108 -14.600
  198    HA   ASN  28           HA       ASN  28  -1.742   0.065 -17.142
  199   1HB   ASN  28          1HB       ASN  28  -2.330  -2.284 -17.751
  200   2HB   ASN  28          2HB       ASN  28  -0.617  -1.818 -17.950
  201   1HD2  ASN  28          1HD2      ASN  28   0.651  -4.087 -15.573
  202   2HD2  ASN  28          2HD2      ASN  28   0.957  -2.651 -16.492
  203    H    LYS  29           H        LYS  29  -1.993  -1.283 -13.963
  204    HA   LYS  29           HA       LYS  29  -4.899  -1.771 -14.338
  205   1HB   LYS  29          1HB       LYS  29  -4.511  -3.425 -12.452
  206   2HB   LYS  29          2HB       LYS  29  -3.769  -3.811 -14.030
  207   1HG   LYS  29          2HG       LYS  29  -1.608  -2.844 -13.140
  208   2HG   LYS  29          1HG       LYS  29  -2.393  -2.748 -11.538
  209   1HD   LYS  29          1HD       LYS  29  -0.992  -4.738 -11.778
  210   2HD   LYS  29          2HD       LYS  29  -2.666  -5.115 -11.478
  211   1HE   LYS  29          1HE       LYS  29  -3.030  -5.553 -13.862
  212   2HE   LYS  29          2HE       LYS  29  -1.308  -5.196 -14.158
  213   1HZ   LYS  29          2HZ       LYS  29  -2.216  -7.169 -12.320
  214   2HZ   LYS  29          3HZ       LYS  29  -1.907  -7.464 -13.917
  215   3HZ   LYS  29          1HZ       LYS  29  -0.725  -6.948 -12.927
  216    H    THR  30           H        THR  30  -6.328  -1.493 -12.598
  217    HA   THR  30           HA       THR  30  -5.593   0.387 -10.456
  218    HB   THR  30           HB       THR  30  -8.167  -1.168 -11.066
  219    HG1  THR  30           HG1      THR  30  -7.788   0.227 -12.317
  220   1HG2  THR  30          2HG2      THR  30  -7.502  -0.473  -8.531
  221   2HG2  THR  30          3HG2      THR  30  -8.281   1.028  -9.090
  222   3HG2  THR  30          1HG2      THR  30  -9.169  -0.516  -9.158
  223    OH   TYR  31           OH       TYR  31   0.497  -3.545 -10.586
  224    H    TYR  31           H        TYR  31  -5.389  -0.190  -8.314
  225    HA   TYR  31           HA       TYR  31  -4.696  -3.059  -7.915
  226   1HB   TYR  31          2HB       TYR  31  -3.435  -0.485  -7.004
  227   2HB   TYR  31          1HB       TYR  31  -3.282  -1.946  -5.988
  228    HD1  TYR  31           HD2      TYR  31  -2.480  -4.096  -7.273
  229    HD2  TYR  31           HD1      TYR  31  -1.902  -0.154  -8.761
  230    HE1  TYR  31           HE2      TYR  31  -0.783  -4.942  -8.831
  231    HE2  TYR  31           HE1      TYR  31  -0.140  -0.976 -10.267
  232    HH   TYR  31           HH       TYR  31   0.103  -3.191 -11.537
  233    H    GLY  32           H        GLY  32  -5.714  -4.184  -6.445
  234   1HA   GLY  32          1HA       GLY  32  -8.162  -3.279  -5.474
  235   2HA   GLY  32          2HA       GLY  32  -7.347  -4.769  -4.926
  236    H    ASN  33           H        ASN  33  -5.174  -3.957  -3.596
  237    HA   ASN  33           HA       ASN  33  -6.057  -1.887  -1.666
  238   1HB   ASN  33          2HB       ASN  33  -4.989  -3.470   0.080
  239   2HB   ASN  33          1HB       ASN  33  -6.661  -3.725  -0.496
  240   1HD2  ASN  33          1HD2      ASN  33  -4.291  -6.822  -0.513
  241   2HD2  ASN  33          2HD2      ASN  33  -4.308  -5.480   0.583
  242    H    LYS  34           H        LYS  34  -4.278  -1.230  -0.162
  243    HA   LYS  34           HA       LYS  34  -2.078  -0.295  -1.657
  244   1HB   LYS  34          1HB       LYS  34  -2.954   0.821   0.353
  245   2HB   LYS  34          2HB       LYS  34  -2.329  -0.515   1.361
  246   1HG   LYS  34          1HG       LYS  34  -0.234   0.311   1.356
  247   2HG   LYS  34          2HG       LYS  34  -0.289   0.687  -0.390
  248   1HD   LYS  34          1HD       LYS  34  -1.407   2.750  -0.004
  249   2HD   LYS  34          2HD       LYS  34  -1.682   2.361   1.672
  250   1HE   LYS  34          1HE       LYS  34   1.135   2.438   0.722
  251   2HE   LYS  34          2HE       LYS  34   0.245   3.973   0.908
  252   1HZ   LYS  34          2HZ       LYS  34   0.359   1.960   2.918
  253   2HZ   LYS  34          3HZ       LYS  34   1.447   3.198   2.783
  254   3HZ   LYS  34          1HZ       LYS  34  -0.128   3.506   3.047
  255    H    CYS  35           H        CYS  35  -2.468  -3.120   0.428
  256    HA   CYS  35           HA       CYS  35   0.267  -3.797   0.537
  257   1HB   CYS  35          1HB       CYS  35  -1.825  -4.640   1.876
  258   2HB   CYS  35          2HB       CYS  35  -1.858  -5.909   0.619
  259    H    ASN  36           H        ASN  36  -2.089  -4.184  -1.968
  260    HA   ASN  36           HA       ASN  36  -0.332  -6.079  -3.381
  261   1HB   ASN  36          1HB       ASN  36  -3.224  -5.384  -3.589
  262   2HB   ASN  36          2HB       ASN  36  -2.367  -6.062  -5.005
  263   1HD2  ASN  36          1HD2      ASN  36  -2.274  -8.424  -1.616
  264   2HD2  ASN  36          2HD2      ASN  36  -1.933  -6.729  -1.512
  265    H    PHE  37           H        PHE  37  -1.213  -2.757  -3.339
  266    HA   PHE  37           HA       PHE  37  -0.176  -2.050  -5.952
  267   1HB   PHE  37          1HB       PHE  37  -1.545  -0.432  -4.725
  268   2HB   PHE  37          2HB       PHE  37  -0.376  -0.427  -3.374
  269    HD1  PHE  37           HD1      PHE  37  -0.640   0.178  -7.004
  270    HD2  PHE  37           HD2      PHE  37   1.313   1.280  -3.382
  271    HE1  PHE  37           HE1      PHE  37   0.623   1.895  -8.225
  272    HE2  PHE  37           HE2      PHE  37   2.777   2.833  -4.638
  273    HZ   PHE  37           HZ       PHE  37   2.460   3.088  -7.084
  274    H    CYS  38           H        CYS  38   1.174  -1.784  -2.635
  275    HA   CYS  38           HA       CYS  38   3.746  -1.159  -3.427
  276   1HB   CYS  38          1HB       CYS  38   2.937  -2.675  -0.934
  277   2HB   CYS  38          2HB       CYS  38   4.479  -1.819  -1.205
  278    H    ASN  39           H        ASN  39   2.189  -4.240  -3.540
  279    HA   ASN  39           HA       ASN  39   4.700  -5.769  -3.510
  280   1HB   ASN  39          1HB       ASN  39   1.808  -6.539  -3.666
  281   2HB   ASN  39          2HB       ASN  39   3.102  -7.673  -4.148
  282   1HD2  ASN  39          1HD2      ASN  39   3.323  -6.336  -0.249
  283   2HD2  ASN  39          2HD2      ASN  39   2.750  -5.271  -1.492
  284    H    ALA  40           H        ALA  40   2.355  -4.375  -5.706
  285    HA   ALA  40           HA       ALA  40   3.447  -5.374  -8.157
  286   1HB   ALA  40          2HB       ALA  40   1.277  -4.094  -7.785
  287   2HB   ALA  40          3HB       ALA  40   2.281  -2.622  -7.732
  288   3HB   ALA  40          1HB       ALA  40   2.264  -3.636  -9.197
  289    H    VAL  41           H        VAL  41   4.425  -2.924  -5.842
  290    HA   VAL  41           HA       VAL  41   6.178  -1.623  -7.726
  291    HB   VAL  41           HB       VAL  41   5.883  -1.160  -4.751
  292   1HG1  VAL  41          3HG1      VAL  41   7.025   0.519  -6.985
  293   2HG1  VAL  41          2HG1      VAL  41   6.494   1.214  -5.434
  294   3HG1  VAL  41          1HG1      VAL  41   7.799   0.004  -5.466
  295   1HG2  VAL  41          1HG2      VAL  41   3.868  -0.961  -6.637
  296   2HG2  VAL  41          2HG2      VAL  41   3.915  -0.172  -5.041
  297   3HG2  VAL  41          3HG2      VAL  41   4.474   0.706  -6.484
  298    H    VAL  42           H        VAL  42   6.635  -3.623  -4.810
  299    HA   VAL  42           HA       VAL  42   9.506  -3.614  -4.920
  300    HB   VAL  42           HB       VAL  42   9.266  -5.685  -3.513
  301   1HG1  VAL  42          1HG1      VAL  42   8.451  -2.949  -2.843
  302   2HG1  VAL  42          2HG1      VAL  42   7.843  -4.183  -1.713
  303   3HG1  VAL  42          3HG1      VAL  42   9.590  -4.049  -2.029
  304   1HG2  VAL  42          1HG2      VAL  42   6.529  -5.480  -4.394
  305   2HG2  VAL  42          2HG2      VAL  42   7.349  -6.786  -3.506
  306   3HG2  VAL  42          3HG2      VAL  42   6.623  -5.425  -2.618
  307    H    GLU  43           H        GLU  43   6.983  -5.771  -6.216
  308    HA   GLU  43           HA       GLU  43   8.545  -7.586  -7.516
  309   1HB   GLU  43          1HB       GLU  43   5.985  -6.227  -8.358
  310   2HB   GLU  43          2HB       GLU  43   6.690  -7.440  -9.269
  311   1HG   GLU  43          1HG       GLU  43   4.830  -7.737  -7.398
  312   2HG   GLU  43          2HG       GLU  43   5.727  -9.043  -8.223
  313    H    SER  44           H        SER  44   7.730  -4.311  -8.644
  314    HA   SER  44           HA       SER  44   8.633  -4.928 -11.368
  315   1HB   SER  44          2HB       SER  44   7.650  -2.996 -12.068
  316   2HB   SER  44          1HB       SER  44   6.627  -3.427 -10.670
  317    HG   SER  44           HG       SER  44   8.144  -2.086  -9.358
  318    H    ASN  45           H        ASN  45   9.946  -3.658  -8.448
  319    HA   ASN  45           HA       ASN  45  12.141  -3.561  -7.909
  320   1HB   ASN  45          1HB       ASN  45  13.417  -4.864  -9.046
  321   2HB   ASN  45          2HB       ASN  45  12.296  -4.838 -10.429
  322   1HD2  ASN  45          1HD2      ASN  45  14.247  -2.054 -11.971
  323   2HD2  ASN  45          2HD2      ASN  45  12.618  -2.265 -11.421
  324    H    GLY  46           H        GLY  46  10.203  -1.548  -8.530
  325   1HA   GLY  46          1HA       GLY  46  10.396   0.629  -7.729
  326   2HA   GLY  46          2HA       GLY  46  12.134   0.611  -8.126
  327    H    THR  47           H        THR  47   9.410  -0.188 -10.272
  328    HA   THR  47           HA       THR  47  10.226   2.092 -12.009
  329    HB   THR  47           HB       THR  47  11.052  -0.126 -12.843
  330    HG1  THR  47           HG1      THR  47  10.760   1.359 -14.021
  331   1HG2  THR  47          3HG2      THR  47   8.123  -0.829 -12.825
  332   2HG2  THR  47          2HG2      THR  47   9.260  -1.592 -13.965
  333   3HG2  THR  47          1HG2      THR  47   9.511  -1.763 -12.208
  334    H    LEU  48           H        LEU  48   7.616   0.030 -10.827
  335    HA   LEU  48           HA       LEU  48   5.543   1.697 -12.112
  336   1HB   LEU  48          1HB       LEU  48   4.939  -0.536 -12.046
  337   2HB   LEU  48          2HB       LEU  48   5.628  -0.786 -10.417
  338    HG   LEU  48           HG       LEU  48   3.268   1.023 -10.687
  339   1HD1  LEU  48          3HD1      LEU  48   3.315  -1.820 -11.440
  340   2HD1  LEU  48          2HD1      LEU  48   2.143  -1.430 -10.156
  341   3HD1  LEU  48          1HD1      LEU  48   2.070  -0.575 -11.717
  342   1HD2  LEU  48          1HD2      LEU  48   4.613   0.525  -8.593
  343   2HD2  LEU  48          2HD2      LEU  48   2.859   0.235  -8.479
  344   3HD2  LEU  48          3HD2      LEU  48   3.977  -1.137  -8.685
  345    H    THR  49           H        THR  49   4.132   2.986 -10.898
  346    HA   THR  49           HA       THR  49   4.554   3.415  -8.094
  347    HB   THR  49           HB       THR  49   5.209   5.839  -9.846
  348    HG1  THR  49           HG1      THR  49   6.798   4.164  -8.384
  349   1HG2  THR  49          1HG2      THR  49   5.466   5.364  -6.869
  350   2HG2  THR  49          2HG2      THR  49   6.164   6.757  -7.736
  351   3HG2  THR  49          3HG2      THR  49   4.399   6.509  -7.722
  352    H    LEU  50           H        LEU  50   3.111   5.174  -7.284
  353    HA   LEU  50           HA       LEU  50   0.540   4.560  -8.326
  354   1HB   LEU  50          1HB       LEU  50   0.750   4.694  -6.025
  355   2HB   LEU  50          2HB       LEU  50   1.658   6.231  -6.088
  356    HG   LEU  50           HG       LEU  50  -0.584   7.237  -6.924
  357   1HD1  LEU  50          3HD1      LEU  50  -1.725   5.072  -7.228
  358   2HD1  LEU  50          1HD1      LEU  50  -1.556   4.747  -5.484
  359   3HD1  LEU  50          2HD1      LEU  50  -2.559   6.110  -6.043
  360   1HD2  LEU  50          2HD2      LEU  50   0.733   7.161  -4.569
  361   2HD2  LEU  50          1HD2      LEU  50  -0.808   8.021  -4.807
  362   3HD2  LEU  50          3HD2      LEU  50  -0.799   6.394  -4.082
  363    H    SER  51           H        SER  51  -0.576   5.475  -9.863
  364    HA   SER  51           HA       SER  51   0.049   8.085 -10.878
  365   1HB   SER  51          1HB       SER  51  -0.774   6.286 -12.301
  366   2HB   SER  51          2HB       SER  51  -2.343   6.309 -11.448
  367    HG   SER  51           HG       SER  51  -2.650   8.492 -12.014
  368    H    HIS  52           H        HIS  52  -2.605   6.765  -8.900
  369    HA   HIS  52           HA       HIS  52  -2.862   9.161  -7.339
  370   1HB   HIS  52          1HB       HIS  52  -5.150   9.805  -8.112
  371   2HB   HIS  52          2HB       HIS  52  -3.862  10.173  -9.298
  372    HD1  HIS  52           HD1      HIS  52  -7.163   9.273  -9.588
  373    HD2  HIS  52           HD2      HIS  52  -3.734   7.147 -10.616
  374    HE1  HIS  52           HE1      HIS  52  -7.894   7.462 -11.161
  375    HE2  HIS  52           HE2      HIS  52  -5.799   6.284 -11.916
  376    H    PHE  53           H        PHE  53  -4.276   8.912  -5.652
  377    HA   PHE  53           HA       PHE  53  -5.084   6.220  -5.042
  378   1HB   PHE  53          1HB       PHE  53  -5.724   8.815  -3.570
  379   2HB   PHE  53          2HB       PHE  53  -6.099   7.168  -2.983
  380    HD1  PHE  53           HD2      PHE  53  -3.124   9.250  -4.092
  381    HD2  PHE  53           HD1      PHE  53  -4.594   5.940  -1.853
  382    HE1  PHE  53           HE2      PHE  53  -0.977   9.136  -2.865
  383    HE2  PHE  53           HE1      PHE  53  -2.442   5.743  -0.691
  384    HZ   PHE  53           HZ       PHE  53  -0.669   7.408  -1.115
  385    H    GLY  54           H        GLY  54  -7.307   5.766  -4.180
  386   1HA   GLY  54          2HA       GLY  54  -9.449   5.191  -4.829
  387   2HA   GLY  54          1HA       GLY  54  -9.609   6.773  -5.635
  388    H    LYS  55           H        LYS  55 -10.682   4.747  -6.946
  389    HA   LYS  55           HA       LYS  55  -8.992   3.282  -8.610
  390   1HB   LYS  55          2HB       LYS  55 -11.096   3.250 -10.165
  391   2HB   LYS  55          1HB       LYS  55 -11.126   2.444  -8.572
  392   1HG   LYS  55          2HG       LYS  55 -12.895   3.662  -7.960
  393   2HG   LYS  55          1HG       LYS  55 -11.988   5.173  -8.258
  394   1HD   LYS  55          1HD       LYS  55 -12.683   5.148 -10.581
  395   2HD   LYS  55          2HD       LYS  55 -13.394   3.569 -10.391
  396   1HE   LYS  55          1HE       LYS  55 -15.153   4.347  -9.054
  397   2HE   LYS  55          2HE       LYS  55 -14.330   5.905  -8.770
  398   1HZ   LYS  55          3HZ       LYS  55 -15.122   4.997 -11.347
  399   2HZ   LYS  55          1HZ       LYS  55 -16.113   5.832 -10.364
  400   3HZ   LYS  55          2HZ       LYS  55 -14.715   6.516 -10.836
  401    H    CYS  56           H        CYS  56  -9.558   3.444 -11.162
  402    HA   CYS  56           HA       CYS  56  -7.639   5.514 -11.682
  403   1HB   CYS  56          1HB       CYS  56  -7.658   2.969 -12.238
  404   2HB   CYS  56          2HB       CYS  56  -8.539   3.487 -13.703
   
  Start of MODEL           8
 Raw file had 404 H/Q atoms
  Start of MODEL    8
    1   1H    LEU   1          2H        LEU   1   2.813  17.361   0.966
    2   2H    LEU   1          1H        LEU   1   3.569  17.036   2.377
    3   3H    LEU   1          3H        LEU   1   3.238  18.582   1.966
    4    HA   LEU   1           HA       LEU   1   4.853  18.753   0.437
    5   1HB   LEU   1          1HB       LEU   1   5.862  18.706   2.549
    6   2HB   LEU   1          2HB       LEU   1   5.628  16.944   2.725
    7    HG   LEU   1           HG       LEU   1   7.389  16.516   1.120
    8   1HD1  LEU   1          1HD2      LEU   1   6.842  18.650  -0.169
    9   2HD1  LEU   1          2HD2      LEU   1   7.851  19.504   1.025
   10   3HD1  LEU   1          3HD2      LEU   1   8.567  18.235   0.000
   11   1HD2  LEU   1          1HD1      LEU   1   7.718  17.540   3.668
   12   2HD2  LEU   1          3HD1      LEU   1   8.981  16.762   2.679
   13   3HD2  LEU   1          2HD1      LEU   1   8.821  18.537   2.687
   14    H    ALA   2           H        ALA   2   3.544  17.610  -1.246
   15    HA   ALA   2           HA       ALA   2   3.333  16.101  -2.959
   16   1HB   ALA   2          2HB       ALA   2   6.090  15.269  -2.023
   17   2HB   ALA   2          1HB       ALA   2   5.260  14.593  -3.448
   18   3HB   ALA   2          3HB       ALA   2   5.670  16.326  -3.395
   19    H    ALA   3           H        ALA   3   1.602  15.380  -1.522
   20    HA   ALA   3           HA       ALA   3   2.221  12.855  -0.074
   21   1HB   ALA   3          2HB       ALA   3   1.375  15.114   1.012
   22   2HB   ALA   3          3HB       ALA   3  -0.212  14.493   0.488
   23   3HB   ALA   3          1HB       ALA   3   0.807  13.524   1.583
   24    H    VAL   4           H        VAL   4   1.477  13.198  -2.954
   25    HA   VAL   4           HA       VAL   4  -0.860  11.360  -2.863
   26    HB   VAL   4           HB       VAL   4  -1.189  13.476  -4.164
   27   1HG1  VAL   4          2HG1      VAL   4   1.237  12.562  -5.504
   28   2HG1  VAL   4          1HG1      VAL   4  -0.092  12.907  -6.638
   29   3HG1  VAL   4          3HG1      VAL   4   0.455  14.161  -5.500
   30   1HG2  VAL   4          3HG2      VAL   4  -2.450  11.335  -4.505
   31   2HG2  VAL   4          2HG2      VAL   4  -2.414  12.430  -5.907
   32   3HG2  VAL   4          1HG2      VAL   4  -1.367  10.991  -5.874
   33    H    SER   5           H        SER   5   2.022  10.943  -2.286
   34    HA   SER   5           HA       SER   5   2.547   8.907  -4.380
   35   1HB   SER   5          1HB       SER   5   5.010   9.219  -3.865
   36   2HB   SER   5          2HB       SER   5   4.224  10.467  -4.874
   37    HG   SER   5           HG       SER   5   5.257  11.721  -3.570
   38    H    VAL   6           H        VAL   6   3.988   7.167  -3.550
   39    HA   VAL   6           HA       VAL   6   3.175   6.531  -0.760
   40    HB   VAL   6           HB       VAL   6   3.013   4.640  -3.109
   41   1HG1  VAL   6          2HG1      VAL   6   3.063   3.890  -0.598
   42   2HG1  VAL   6          1HG1      VAL   6   1.362   4.415  -0.619
   43   3HG1  VAL   6          3HG1      VAL   6   1.919   3.153  -1.745
   44   1HG2  VAL   6          3HG2      VAL   6   1.539   6.759  -3.264
   45   2HG2  VAL   6          2HG2      VAL   6   0.799   5.161  -3.520
   46   3HG2  VAL   6          1HG2      VAL   6   0.592   5.998  -1.963
   47    H    ASP   7           H        ASP   7   4.892   6.266   0.414
   48    HA   ASP   7           HA       ASP   7   7.333   5.032  -0.603
   49   1HB   ASP   7          1HB       ASP   7   7.041   6.778   1.328
   50   2HB   ASP   7          2HB       ASP   7   6.800   5.306   2.313
   51    H    CYS   8           H        CYS   8   7.777   2.976  -0.707
   52    HA   CYS   8           HA       CYS   8   6.292   1.085   0.959
   53   1HB   CYS   8          1HB       CYS   8   6.368   0.730  -2.048
   54   2HB   CYS   8          2HB       CYS   8   5.724  -0.418  -0.841
   55    H    SER   9           H        SER   9   8.932   2.151   0.965
   56    HA   SER   9           HA       SER   9  10.612  -0.004  -0.020
   57   1HB   SER   9          1HB       SER   9  10.972   2.715   0.692
   58   2HB   SER   9          2HB       SER   9  12.037   1.744   1.748
   59    HG   SER   9           HG       SER   9  11.718   1.449  -1.129
   60    H    GLU  10           H        GLU  10   9.354  -1.602   1.268
   61    HA   GLU  10           HA       GLU  10  10.557  -2.464   3.616
   62   1HB   GLU  10          1HB       GLU  10   9.156  -0.197   4.157
   63   2HB   GLU  10          2HB       GLU  10   7.918  -1.316   4.266
   64   1HG   GLU  10          1HG       GLU  10   9.246  -2.557   5.935
   65   2HG   GLU  10          2HG       GLU  10  10.202  -1.059   6.117
   66    OH   TYR  11           OH       TYR  11   1.992  -0.473   2.723
   67    H    TYR  11           H        TYR  11   7.598  -2.103   1.736
   68    HA   TYR  11           HA       TYR  11   6.422  -4.617   2.119
   69   1HB   TYR  11          1HB       TYR  11   6.695  -2.907  -0.375
   70   2HB   TYR  11          2HB       TYR  11   5.681  -4.375  -0.276
   71    HD1  TYR  11           HD2      TYR  11   6.141  -0.953   1.079
   72    HD2  TYR  11           HD1      TYR  11   3.508  -4.275   0.763
   73    HE1  TYR  11           HE2      TYR  11   4.357   0.372   2.120
   74    HE2  TYR  11           HE1      TYR  11   1.750  -3.001   1.914
   75    HH   TYR  11           HH       TYR  11   1.162  -0.510   2.020
   76    HA   PRO  12           HA       PRO  12   5.349  -5.973   0.478
   77   1HB   PRO  12          1HB       PRO  12   5.429  -8.672  -0.052
   78   2HB   PRO  12          2HB       PRO  12   5.585  -7.432  -1.328
   79   1HG   PRO  12          2HG       PRO  12   7.562  -9.342  -0.431
   80   2HG   PRO  12          1HG       PRO  12   7.710  -8.119  -1.724
   81   1HD   PRO  12          1HD       PRO  12   8.647  -7.991   1.131
   82   2HD   PRO  12          2HD       PRO  12   9.298  -7.165  -0.313
   83    H    LYS  13           H        LYS  13   4.130  -6.052   2.083
   84    HA   LYS  13           HA       LYS  13   5.240  -6.570   4.653
   85   1HB   LYS  13          1HB       LYS  13   2.609  -5.751   3.561
   86   2HB   LYS  13          2HB       LYS  13   2.562  -6.600   5.131
   87   1HG   LYS  13          1HG       LYS  13   2.662  -4.107   5.317
   88   2HG   LYS  13          2HG       LYS  13   4.001  -4.955   6.143
   89   1HD   LYS  13          1HD       LYS  13   4.485  -4.114   3.344
   90   2HD   LYS  13          2HD       LYS  13   4.294  -2.836   4.512
   91   1HE   LYS  13          1HE       LYS  13   6.039  -4.970   5.468
   92   2HE   LYS  13          2HE       LYS  13   6.602  -4.193   3.963
   93   1HZ   LYS  13          1HZ       LYS  13   6.284  -2.153   5.043
   94   2HZ   LYS  13          2HZ       LYS  13   5.894  -2.923   6.420
   95   3HZ   LYS  13          3HZ       LYS  13   7.398  -3.101   5.754
   96    HA   PRO  14           HA       PRO  14   4.051 -10.916   5.614
   97   1HB   PRO  14          2HB       PRO  14   2.365 -10.012   7.806
   98   2HB   PRO  14          1HB       PRO  14   3.988 -10.751   7.893
   99   1HG   PRO  14          1HG       PRO  14   3.198  -7.891   8.040
  100   2HG   PRO  14          2HG       PRO  14   4.681  -8.695   8.626
  101   1HD   PRO  14          1HD       PRO  14   4.740  -7.031   6.460
  102   2HD   PRO  14          2HD       PRO  14   5.755  -8.503   6.498
  103    H    ALA  15           H        ALA  15   1.203  -8.864   6.108
  104    HA   ALA  15           HA       ALA  15  -0.259 -10.996   4.637
  105   1HB   ALA  15          2HB       ALA  15  -0.935  -9.226   6.981
  106   2HB   ALA  15          3HB       ALA  15  -2.198 -10.051   6.031
  107   3HB   ALA  15          1HB       ALA  15  -0.944 -11.005   6.864
  108    H    CYS  16           H        CYS  16  -0.909 -10.468   2.699
  109    HA   CYS  16           HA       CYS  16  -2.154  -7.789   2.345
  110   1HB   CYS  16          1HB       CYS  16  -0.752  -9.402   0.199
  111   2HB   CYS  16          2HB       CYS  16  -1.606  -7.846  -0.012
  112    H    THR  17           H        THR  17  -4.062  -8.761   3.166
  113    HA   THR  17           HA       THR  17  -5.653  -9.897   1.068
  114    HB   THR  17           HB       THR  17  -5.277 -11.660   3.554
  115    HG1  THR  17           HG1      THR  17  -4.433 -12.953   2.330
  116   1HG2  THR  17          2HG2      THR  17  -7.563 -11.476   2.106
  117   2HG2  THR  17          1HG2      THR  17  -6.686 -12.724   1.186
  118   3HG2  THR  17          3HG2      THR  17  -7.005 -12.958   2.923
  119    H    LEU  18           H        LEU  18  -7.551  -8.971   1.198
  120    HA   LEU  18           HA       LEU  18  -8.126  -7.108   3.188
  121   1HB   LEU  18          1HB       LEU  18  -9.027  -6.736   1.106
  122   2HB   LEU  18          2HB       LEU  18  -9.630  -8.408   0.940
  123    HG   LEU  18           HG       LEU  18 -11.349  -6.557   1.123
  124   1HD1  LEU  18          1HD2      LEU  18 -11.453  -9.133   1.661
  125   2HD1  LEU  18          3HD2      LEU  18 -11.697  -8.558   3.331
  126   3HD1  LEU  18          2HD2      LEU  18 -12.825  -8.060   2.043
  127   1HD2  LEU  18          2HD1      LEU  18  -9.884  -5.880   3.402
  128   2HD2  LEU  18          3HD1      LEU  18 -11.487  -5.261   2.930
  129   3HD2  LEU  18          1HD1      LEU  18 -11.359  -6.655   4.032
  130   1H    GLU  19          1H        GLU  19  -6.499  -4.606   2.406
  131   2H    GLU  19          2H        GLU  19  -6.347  -2.997   2.643
  132   3H    GLU  19          3H        GLU  19  -6.517  -3.998   3.923
  133    HA   GLU  19           HA       GLU  19  -8.715  -4.395   3.592
  134   1HB   GLU  19          1HB       GLU  19  -7.684  -1.910   3.881
  135   2HB   GLU  19          2HB       GLU  19  -8.452  -1.700   2.411
  136   1HG   GLU  19          1HG       GLU  19  -9.476  -1.305   4.854
  137   2HG   GLU  19          2HG       GLU  19 -10.328  -1.170   3.291
  138    OH   TYR  20           OH       TYR  20 -12.640  -1.875  -5.816
  139    H    TYR  20           H        TYR  20 -10.378  -2.853   1.801
  140    HA   TYR  20           HA       TYR  20  -9.901  -4.224  -0.787
  141   1HB   TYR  20          1HB       TYR  20 -12.210  -4.347  -0.153
  142   2HB   TYR  20          2HB       TYR  20 -12.257  -2.610   0.267
  143    HD1  TYR  20           HD2      TYR  20 -11.697  -4.895  -2.630
  144    HD2  TYR  20           HD1      TYR  20 -12.749  -0.973  -1.370
  145    HE1  TYR  20           HE2      TYR  20 -11.829  -4.182  -4.977
  146    HE2  TYR  20           HE1      TYR  20 -12.844  -0.241  -3.716
  147    HH   TYR  20           HH       TYR  20 -13.220  -2.698  -6.229
  148    NH1  ARG  21           NH1      ARG  21 -10.816   0.894   4.162
  149    NH2  ARG  21           NH2      ARG  21 -12.875   1.717   3.560
  150    H    ARG  21           H        ARG  21 -10.207  -1.007   0.703
  151    HA   ARG  21           HA       ARG  21 -10.966   0.277  -1.548
  152   1HB   ARG  21          1HB       ARG  21 -10.052   2.423  -0.501
  153   2HB   ARG  21          2HB       ARG  21 -11.236   1.469   0.435
  154   1HG   ARG  21          1HG       ARG  21  -9.334   0.496   1.734
  155   2HG   ARG  21          2HG       ARG  21  -8.233   1.607   0.871
  156   1HD   ARG  21          1HD       ARG  21  -8.989   2.368   3.126
  157   2HD   ARG  21          2HD       ARG  21  -9.293   3.507   1.784
  158    HE   ARG  21           HE       ARG  21 -11.564   3.270   2.138
  159   1HH1  ARG  21          2HH1      ARG  21  -9.820   0.896   4.076
  160   2HH1  ARG  21          1HH1      ARG  21 -11.261   0.274   4.808
  161   1HH2  ARG  21          2HH2      ARG  21 -13.435   2.343   3.019
  162   2HH2  ARG  21          1HH2      ARG  21 -13.308   1.093   4.211
  163    HA   PRO  22           HA       PRO  22  -7.612   0.024  -4.244
  164   1HB   PRO  22          1HB       PRO  22  -9.255   0.845  -6.244
  165   2HB   PRO  22          2HB       PRO  22  -9.694  -0.541  -5.204
  166   1HG   PRO  22          1HG       PRO  22 -10.927   2.122  -5.368
  167   2HG   PRO  22          2HG       PRO  22 -11.527   0.646  -4.559
  168   1HD   PRO  22          1HD       PRO  22 -10.055   2.975  -3.428
  169   2HD   PRO  22          2HD       PRO  22 -11.081   1.779  -2.599
  170    H    LEU  23           H        LEU  23  -6.311   0.914  -5.848
  171    HA   LEU  23           HA       LEU  23  -6.391   3.838  -6.015
  172   1HB   LEU  23          1HB       LEU  23  -3.681   2.559  -5.998
  173   2HB   LEU  23          2HB       LEU  23  -4.160   4.244  -5.654
  174    HG   LEU  23           HG       LEU  23  -5.274   3.034  -3.530
  175   1HD1  LEU  23          3HD1      LEU  23  -3.973   0.904  -4.635
  176   2HD1  LEU  23          2HD1      LEU  23  -2.729   1.538  -3.529
  177   3HD1  LEU  23          1HD1      LEU  23  -4.333   1.086  -2.899
  178   1HD2  LEU  23          1HD2      LEU  23  -3.332   4.822  -3.982
  179   2HD2  LEU  23          3HD2      LEU  23  -3.656   4.139  -2.368
  180   3HD2  LEU  23          2HD2      LEU  23  -2.332   3.483  -3.364
  181    H    CYS  24           H        CYS  24  -4.292   4.071  -7.852
  182    HA   CYS  24           HA       CYS  24  -4.521   1.822  -9.705
  183   1HB   CYS  24          1HB       CYS  24  -5.986   3.635 -10.632
  184   2HB   CYS  24          2HB       CYS  24  -4.528   4.655 -10.768
  185    H    GLY  25           H        GLY  25  -2.602   1.509 -10.919
  186   1HA   GLY  25          2HA       GLY  25  -0.199   2.513  -9.475
  187   2HA   GLY  25          1HA       GLY  25  -0.249   1.128 -10.600
  188    H    SER  26           H        SER  26   1.661   2.481 -11.385
  189    HA   SER  26           HA       SER  26   0.726   4.318 -13.520
  190   1HB   SER  26          1HB       SER  26   2.874   4.622 -11.977
  191   2HB   SER  26          2HB       SER  26   3.608   3.614 -13.257
  192    HG   SER  26           HG       SER  26   2.377   6.214 -13.275
  193    H    ASP  27           H        ASP  27   0.187   1.387 -13.289
  194    HA   ASP  27           HA       ASP  27   1.708   0.442 -15.641
  195   1HB   ASP  27          1HB       ASP  27   1.596  -1.766 -14.678
  196   2HB   ASP  27          2HB       ASP  27   2.337  -0.584 -13.560
  197    H    ASN  28           H        ASN  28  -0.972   1.842 -15.527
  198    HA   ASN  28           HA       ASN  28  -3.056   1.695 -16.393
  199   1HB   ASN  28          1HB       ASN  28  -1.693  -0.454 -18.013
  200   2HB   ASN  28          2HB       ASN  28  -3.283   0.271 -18.385
  201   1HD2  ASN  28          1HD2      ASN  28   0.206   2.414 -18.939
  202   2HD2  ASN  28          2HD2      ASN  28   0.164   1.077 -17.837
  203    H    LYS  29           H        LYS  29  -2.459   0.102 -13.987
  204    HA   LYS  29           HA       LYS  29  -4.912  -1.594 -14.166
  205   1HB   LYS  29          1HB       LYS  29  -2.684  -2.243 -12.276
  206   2HB   LYS  29          2HB       LYS  29  -3.878  -3.311 -13.068
  207   1HG   LYS  29          1HG       LYS  29  -2.667  -3.014 -15.221
  208   2HG   LYS  29          2HG       LYS  29  -1.443  -2.029 -14.368
  209   1HD   LYS  29          1HD       LYS  29  -0.624  -3.828 -13.160
  210   2HD   LYS  29          2HD       LYS  29  -2.071  -4.771 -13.389
  211   1HE   LYS  29          1HE       LYS  29   0.031  -5.451 -14.672
  212   2HE   LYS  29          2HE       LYS  29  -1.545  -5.422 -15.509
  213   1HZ   LYS  29          3HZ       LYS  29   0.352  -3.292 -15.508
  214   2HZ   LYS  29          1HZ       LYS  29   0.253  -4.439 -16.656
  215   3HZ   LYS  29          2HZ       LYS  29  -1.020  -3.456 -16.416
  216    H    THR  30           H        THR  30  -6.335  -1.498 -12.543
  217    HA   THR  30           HA       THR  30  -5.938   0.344 -10.283
  218    HB   THR  30           HB       THR  30  -8.232  -1.646 -10.711
  219    HG1  THR  30           HG1      THR  30  -9.156  -0.333 -11.726
  220   1HG2  THR  30          3HG2      THR  30  -8.098   0.931  -9.122
  221   2HG2  THR  30          1HG2      THR  30  -9.541  -0.092  -9.345
  222   3HG2  THR  30          2HG2      THR  30  -8.131  -0.721  -8.454
  223    OH   TYR  31           OH       TYR  31   0.486  -3.950 -10.270
  224    H    TYR  31           H        TYR  31  -5.643  -0.286  -8.185
  225    HA   TYR  31           HA       TYR  31  -4.736  -3.105  -7.834
  226   1HB   TYR  31          2HB       TYR  31  -3.488  -0.484  -7.165
  227   2HB   TYR  31          1HB       TYR  31  -3.339  -1.779  -5.942
  228    HD1  TYR  31           HD2      TYR  31  -2.786  -4.174  -7.204
  229    HD2  TYR  31           HD1      TYR  31  -1.649  -0.317  -8.590
  230    HE1  TYR  31           HE2      TYR  31  -1.108  -5.203  -8.669
  231    HE2  TYR  31           HE1      TYR  31   0.143  -1.326  -9.937
  232    HH   TYR  31           HH       TYR  31   0.905  -4.759  -9.676
  233    H    GLY  32           H        GLY  32  -5.488  -4.237  -6.187
  234   1HA   GLY  32          1HA       GLY  32  -7.938  -3.513  -5.072
  235   2HA   GLY  32          2HA       GLY  32  -6.933  -4.871  -4.502
  236    H    ASN  33           H        ASN  33  -5.052  -4.232  -3.076
  237    HA   ASN  33           HA       ASN  33  -5.861  -1.976  -1.325
  238   1HB   ASN  33          2HB       ASN  33  -4.436  -3.323   0.417
  239   2HB   ASN  33          1HB       ASN  33  -6.174  -3.634   0.142
  240   1HD2  ASN  33          1HD2      ASN  33  -3.927  -6.761   0.187
  241   2HD2  ASN  33          2HD2      ASN  33  -3.748  -5.291   1.085
  242    H    LYS  34           H        LYS  34  -3.971  -1.114  -0.031
  243    HA   LYS  34           HA       LYS  34  -1.932  -0.159  -1.873
  244   1HB   LYS  34          1HB       LYS  34  -2.787   1.136   0.105
  245   2HB   LYS  34          2HB       LYS  34  -1.935  -0.031   1.157
  246   1HG   LYS  34          2HG       LYS  34   0.184   0.694   0.454
  247   2HG   LYS  34          1HG       LYS  34  -0.464   1.473  -1.017
  248   1HD   LYS  34          1HD       LYS  34  -0.033   3.296   0.287
  249   2HD   LYS  34          2HD       LYS  34  -1.708   2.995   0.661
  250   1HE   LYS  34          1HE       LYS  34  -0.939   1.654   2.655
  251   2HE   LYS  34          2HE       LYS  34   0.691   2.299   2.321
  252   1HZ   LYS  34          3HZ       LYS  34  -0.197   4.407   2.487
  253   2HZ   LYS  34          1HZ       LYS  34  -1.681   3.822   2.807
  254   3HZ   LYS  34          2HZ       LYS  34  -0.477   3.530   3.861
  255    H    CYS  35           H        CYS  35  -2.392  -2.870   0.253
  256    HA   CYS  35           HA       CYS  35   0.362  -3.597   0.381
  257   1HB   CYS  35          1HB       CYS  35  -1.719  -4.298   1.821
  258   2HB   CYS  35          2HB       CYS  35  -1.833  -5.624   0.630
  259    H    ASN  36           H        ASN  36  -2.088  -4.001  -2.029
  260    HA   ASN  36           HA       ASN  36  -0.388  -5.934  -3.459
  261   1HB   ASN  36          1HB       ASN  36  -3.259  -5.103  -3.792
  262   2HB   ASN  36          2HB       ASN  36  -2.378  -6.066  -5.012
  263   1HD2  ASN  36          1HD2      ASN  36  -3.026  -7.729  -1.269
  264   2HD2  ASN  36          2HD2      ASN  36  -2.661  -6.042  -1.419
  265    H    PHE  37           H        PHE  37  -1.238  -2.599  -3.455
  266    HA   PHE  37           HA       PHE  37  -0.146  -1.912  -6.044
  267   1HB   PHE  37          1HB       PHE  37  -1.456  -0.249  -4.805
  268   2HB   PHE  37          2HB       PHE  37  -0.291  -0.303  -3.452
  269    HD1  PHE  37           HD1      PHE  37  -0.349   0.182  -7.118
  270    HD2  PHE  37           HD2      PHE  37   1.409   1.374  -3.424
  271    HE1  PHE  37           HE1      PHE  37   1.058   1.788  -8.328
  272    HE2  PHE  37           HE2      PHE  37   2.933   2.900  -4.636
  273    HZ   PHE  37           HZ       PHE  37   2.806   3.033  -7.108
  274    H    CYS  38           H        CYS  38   1.207  -1.643  -2.731
  275    HA   CYS  38           HA       CYS  38   3.796  -1.069  -3.581
  276   1HB   CYS  38          1HB       CYS  38   2.926  -2.374  -0.993
  277   2HB   CYS  38          2HB       CYS  38   4.515  -1.624  -1.314
  278    H    ASN  39           H        ASN  39   2.168  -4.109  -3.531
  279    HA   ASN  39           HA       ASN  39   4.632  -5.700  -3.425
  280   1HB   ASN  39          1HB       ASN  39   1.723  -6.383  -3.599
  281   2HB   ASN  39          2HB       ASN  39   2.976  -7.569  -4.070
  282   1HD2  ASN  39          1HD2      ASN  39   3.323  -6.192  -0.201
  283   2HD2  ASN  39          2HD2      ASN  39   2.758  -5.122  -1.441
  284    H    ALA  40           H        ALA  40   2.409  -4.265  -5.711
  285    HA   ALA  40           HA       ALA  40   3.599  -5.311  -8.112
  286   1HB   ALA  40          1HB       ALA  40   1.428  -3.949  -7.789
  287   2HB   ALA  40          3HB       ALA  40   2.499  -2.524  -7.816
  288   3HB   ALA  40          2HB       ALA  40   2.447  -3.626  -9.215
  289    H    VAL  41           H        VAL  41   4.394  -2.742  -5.817
  290    HA   VAL  41           HA       VAL  41   6.302  -1.448  -7.554
  291    HB   VAL  41           HB       VAL  41   5.815  -1.192  -4.580
  292   1HG1  VAL  41          2HG1      VAL  41   7.487   0.509  -6.442
  293   2HG1  VAL  41          3HG1      VAL  41   6.951   1.027  -4.825
  294   3HG1  VAL  41          1HG1      VAL  41   8.020  -0.386  -4.999
  295   1HG2  VAL  41          2HG2      VAL  41   3.954  -0.610  -6.269
  296   2HG2  VAL  41          1HG2      VAL  41   4.373   0.573  -5.007
  297   3HG2  VAL  41          3HG2      VAL  41   4.969   0.795  -6.670
  298    H    VAL  42           H        VAL  42   6.559  -3.577  -4.694
  299    HA   VAL  42           HA       VAL  42   9.405  -3.555  -4.749
  300    HB   VAL  42           HB       VAL  42   9.183  -5.420  -3.091
  301   1HG1  VAL  42          2HG1      VAL  42   7.792  -2.781  -2.701
  302   2HG1  VAL  42          3HG1      VAL  42   7.903  -3.972  -1.383
  303   3HG1  VAL  42          1HG1      VAL  42   9.387  -3.321  -2.120
  304   1HG2  VAL  42          3HG2      VAL  42   6.485  -5.487  -4.118
  305   2HG2  VAL  42          2HG2      VAL  42   7.336  -6.635  -3.056
  306   3HG2  VAL  42          1HG2      VAL  42   6.492  -5.231  -2.356
  307    H    GLU  43           H        GLU  43   6.994  -5.905  -5.900
  308    HA   GLU  43           HA       GLU  43   8.761  -7.693  -7.158
  309   1HB   GLU  43          1HB       GLU  43   6.001  -6.689  -7.850
  310   2HB   GLU  43          2HB       GLU  43   6.800  -7.835  -8.770
  311   1HG   GLU  43          1HG       GLU  43   5.053  -8.433  -7.016
  312   2HG   GLU  43          2HG       GLU  43   6.358  -9.553  -7.497
  313    H    SER  44           H        SER  44   7.859  -4.426  -7.979
  314    HA   SER  44           HA       SER  44   8.375  -4.671 -10.852
  315   1HB   SER  44          1HB       SER  44   6.766  -3.064 -10.355
  316   2HB   SER  44          2HB       SER  44   7.727  -2.358  -9.024
  317    HG   SER  44           HG       SER  44   9.076  -1.355 -10.328
  318    H    ASN  45           H        ASN  45  10.047  -3.812  -7.887
  319    HA   ASN  45           HA       ASN  45  12.247  -3.530  -7.423
  320   1HB   ASN  45          1HB       ASN  45  13.025  -4.491 -10.153
  321   2HB   ASN  45          2HB       ASN  45  13.886  -4.633  -8.593
  322   1HD2  ASN  45          1HD2      ASN  45  11.664  -7.287  -7.412
  323   2HD2  ASN  45          2HD2      ASN  45  12.315  -5.778  -6.863
  324    H    GLY  46           H        GLY  46  10.511  -1.544  -8.769
  325   1HA   GLY  46          1HA       GLY  46  11.056   0.739  -8.956
  326   2HA   GLY  46          2HA       GLY  46  12.670   0.301  -9.580
  327    H    THR  47           H        THR  47   9.277   0.763 -10.346
  328    HA   THR  47           HA       THR  47   9.950   2.118 -12.667
  329    HB   THR  47           HB       THR  47  10.413  -0.224 -13.605
  330    HG1  THR  47           HG1      THR  47   9.610   0.234 -15.347
  331   1HG2  THR  47          2HG2      THR  47   7.576  -0.594 -12.891
  332   2HG2  THR  47          3HG2      THR  47   8.008  -1.080 -14.550
  333   3HG2  THR  47          1HG2      THR  47   8.868  -1.791 -13.161
  334    H    LEU  48           H        LEU  48   7.571   0.222 -10.905
  335    HA   LEU  48           HA       LEU  48   5.314   1.020 -12.348
  336   1HB   LEU  48          1HB       LEU  48   5.368  -0.963 -11.071
  337   2HB   LEU  48          2HB       LEU  48   5.750  -0.075  -9.571
  338    HG   LEU  48           HG       LEU  48   3.305   0.981 -10.306
  339   1HD1  LEU  48          1HD1      LEU  48   3.375  -1.006 -12.026
  340   2HD1  LEU  48          3HD1      LEU  48   2.950  -1.983 -10.598
  341   3HD1  LEU  48          2HD1      LEU  48   1.890  -0.645 -11.109
  342   1HD2  LEU  48          1HD2      LEU  48   4.209  -1.207  -8.445
  343   2HD2  LEU  48          3HD2      LEU  48   3.676   0.454  -8.076
  344   3HD2  LEU  48          2HD2      LEU  48   2.483  -0.778  -8.563
  345    H    THR  49           H        THR  49   5.395   1.797  -8.905
  346    HA   THR  49           HA       THR  49   5.108   3.751  -7.731
  347    HB   THR  49           HB       THR  49   5.527   5.541 -10.130
  348    HG1  THR  49           HG1      THR  49   7.489   5.259 -10.109
  349   1HG2  THR  49          3HG2      THR  49   6.240   5.584  -7.219
  350   2HG2  THR  49          1HG2      THR  49   7.182   6.559  -8.376
  351   3HG2  THR  49          2HG2      THR  49   5.425   6.817  -8.215
  352    H    LEU  50           H        LEU  50   3.517   5.367  -7.405
  353    HA   LEU  50           HA       LEU  50   1.042   4.250  -8.379
  354   1HB   LEU  50          1HB       LEU  50   1.193   4.578  -6.091
  355   2HB   LEU  50          2HB       LEU  50   1.907   6.207  -6.264
  356    HG   LEU  50           HG       LEU  50  -0.499   6.724  -7.287
  357   1HD1  LEU  50          2HD1      LEU  50  -0.778   4.095  -6.147
  358   2HD1  LEU  50          1HD1      LEU  50  -1.762   5.256  -5.221
  359   3HD1  LEU  50          3HD1      LEU  50  -1.987   5.103  -6.981
  360   1HD2  LEU  50          1HD2      LEU  50   0.910   7.370  -5.068
  361   2HD2  LEU  50          3HD2      LEU  50  -0.744   7.942  -5.397
  362   3HD2  LEU  50          2HD2      LEU  50  -0.483   6.543  -4.327
  363    H    SER  51           H        SER  51  -0.710   5.349  -9.288
  364    HA   SER  51           HA       SER  51   0.021   7.787 -10.782
  365   1HB   SER  51          1HB       SER  51  -0.755   5.865 -12.057
  366   2HB   SER  51          2HB       SER  51  -2.300   5.871 -11.159
  367    HG   SER  51           HG       SER  51  -2.289   6.832 -13.311
  368    H    HIS  52           H        HIS  52  -2.568   6.500  -8.691
  369    HA   HIS  52           HA       HIS  52  -2.855   9.015  -7.389
  370   1HB   HIS  52          1HB       HIS  52  -5.345   9.309  -7.894
  371   2HB   HIS  52          2HB       HIS  52  -4.191   9.866  -9.141
  372    HD1  HIS  52           HD1      HIS  52  -7.348   8.457  -9.222
  373    HD2  HIS  52           HD2      HIS  52  -3.712   7.059 -10.693
  374    HE1  HIS  52           HE1      HIS  52  -7.898   6.832 -11.050
  375    HE2  HIS  52           HE2      HIS  52  -5.700   6.173 -12.101
  376    H    PHE  53           H        PHE  53  -5.035   8.925  -6.039
  377    HA   PHE  53           HA       PHE  53  -5.494   6.107  -5.185
  378   1HB   PHE  53          1HB       PHE  53  -5.901   8.592  -3.460
  379   2HB   PHE  53          2HB       PHE  53  -6.199   6.893  -2.990
  380    HD1  PHE  53           HD2      PHE  53  -3.268   8.756  -4.552
  381    HD2  PHE  53           HD1      PHE  53  -4.705   6.004  -1.638
  382    HE1  PHE  53           HE2      PHE  53  -1.040   8.746  -3.474
  383    HE2  PHE  53           HE1      PHE  53  -2.482   5.906  -0.603
  384    HZ   PHE  53           HZ       PHE  53  -0.667   7.333  -1.472
  385    H    GLY  54           H        GLY  54  -7.208   5.490  -6.285
  386   1HA   GLY  54          1HA       GLY  54  -9.700   6.314  -5.213
  387   2HA   GLY  54          2HA       GLY  54  -9.599   6.885  -6.902
  388    H    LYS  55           H        LYS  55 -10.076   5.503  -8.481
  389    HA   LYS  55           HA       LYS  55  -8.934   2.882  -8.346
  390   1HB   LYS  55          2HB       LYS  55 -11.171   1.875  -9.359
  391   2HB   LYS  55          1HB       LYS  55 -10.817   1.871  -7.608
  392   1HG   LYS  55          1HG       LYS  55 -12.441   3.426  -7.133
  393   2HG   LYS  55          2HG       LYS  55 -12.329   4.201  -8.740
  394   1HD   LYS  55          1HD       LYS  55 -13.941   2.960  -9.592
  395   2HD   LYS  55          2HD       LYS  55 -13.228   1.489  -8.991
  396   1HE   LYS  55          1HE       LYS  55 -14.949   1.293  -7.637
  397   2HE   LYS  55          2HE       LYS  55 -14.225   2.632  -6.706
  398   1HZ   LYS  55          3HZ       LYS  55 -15.398   4.055  -8.180
  399   2HZ   LYS  55          1HZ       LYS  55 -16.189   2.764  -8.776
  400   3HZ   LYS  55          2HZ       LYS  55 -16.346   3.120  -7.198
  401    H    CYS  56           H        CYS  56  -7.826   4.496  -9.785
  402    HA   CYS  56           HA       CYS  56  -7.052   4.855 -11.898
  403   1HB   CYS  56          1HB       CYS  56  -7.474   2.279 -11.368
  404   2HB   CYS  56          2HB       CYS  56  -8.583   2.433 -12.758
   
  Start of MODEL           9
 Raw file had 404 H/Q atoms
  Start of MODEL    9
    1   1H    LEU   1          3H        LEU   1   8.618  18.115  -2.393
    2   2H    LEU   1          1H        LEU   1   8.554  17.589  -0.847
    3   3H    LEU   1          2H        LEU   1   8.147  16.585  -2.069
    4    HA   LEU   1           HA       LEU   1   6.164  17.225  -1.092
    5   1HB   LEU   1          2HB       LEU   1   7.244  19.094   0.094
    6   2HB   LEU   1          1HB       LEU   1   7.268  20.034  -1.425
    7    HG   LEU   1           HG       LEU   1   4.822  20.090  -1.430
    8   1HD1  LEU   1          2HD1      LEU   1   5.218  18.217   0.828
    9   2HD1  LEU   1          3HD1      LEU   1   3.994  19.485   1.088
   10   3HD1  LEU   1          1HD1      LEU   1   3.854  18.384  -0.305
   11   1HD2  LEU   1          2HD2      LEU   1   6.298  21.787  -0.295
   12   2HD2  LEU   1          1HD2      LEU   1   4.631  21.705   0.328
   13   3HD2  LEU   1          3HD2      LEU   1   5.962  20.953   1.244
   14    H    ALA   2           H        ALA   2   4.276  17.837  -2.275
   15    HA   ALA   2           HA       ALA   2   3.021  17.829  -4.195
   16   1HB   ALA   2          1HB       ALA   2   4.658  19.947  -4.581
   17   2HB   ALA   2          3HB       ALA   2   5.142  18.911  -5.949
   18   3HB   ALA   2          2HB       ALA   2   3.437  19.391  -5.753
   19    H    ALA   3           H        ALA   3   3.302  15.533  -3.950
   20    HA   ALA   3           HA       ALA   3   4.539  14.196  -6.225
   21   1HB   ALA   3          1HB       ALA   3   5.760  13.974  -3.460
   22   2HB   ALA   3          2HB       ALA   3   6.149  12.937  -4.856
   23   3HB   ALA   3          3HB       ALA   3   6.516  14.681  -4.911
   24    H    VAL   4           H        VAL   4   2.335  13.527  -6.354
   25    HA   VAL   4           HA       VAL   4   1.004  12.174  -4.163
   26    HB   VAL   4           HB       VAL   4  -0.248  13.361  -5.860
   27   1HG1  VAL   4          1HG1      VAL   4   1.418  11.967  -7.722
   28   2HG1  VAL   4          2HG1      VAL   4  -0.284  11.573  -8.059
   29   3HG1  VAL   4          3HG1      VAL   4   0.244  13.272  -8.016
   30   1HG2  VAL   4          1HG2      VAL   4  -1.276  11.471  -4.663
   31   2HG2  VAL   4          3HG2      VAL   4  -1.967  11.715  -6.285
   32   3HG2  VAL   4          2HG2      VAL   4  -0.814  10.390  -5.999
   33    H    SER   5           H        SER   5   2.381  10.616  -3.425
   34    HA   SER   5           HA       SER   5   2.600   8.228  -5.074
   35   1HB   SER   5          1HB       SER   5   5.172   8.311  -4.060
   36   2HB   SER   5          2HB       SER   5   4.683   8.537  -5.764
   37    HG   SER   5           HG       SER   5   5.596  10.361  -5.647
   38    H    VAL   6           H        VAL   6   4.059   6.602  -3.637
   39    HA   VAL   6           HA       VAL   6   2.807   6.685  -0.942
   40    HB   VAL   6           HB       VAL   6   2.767   4.299  -2.791
   41   1HG1  VAL   6          2HG1      VAL   6   2.504   3.943  -0.315
   42   2HG1  VAL   6          1HG1      VAL   6   0.997   4.883  -0.411
   43   3HG1  VAL   6          3HG1      VAL   6   1.156   3.362  -1.320
   44   1HG2  VAL   6          1HG2      VAL   6   1.033   6.678  -2.782
   45   2HG2  VAL   6          3HG2      VAL   6   1.332   5.467  -4.050
   46   3HG2  VAL   6          2HG2      VAL   6   0.178   5.118  -2.742
   47    H    ASP   7           H        ASP   7   4.070   6.153   0.660
   48    HA   ASP   7           HA       ASP   7   6.826   5.334   0.079
   49   1HB   ASP   7          1HB       ASP   7   6.140   7.108   1.790
   50   2HB   ASP   7          2HB       ASP   7   5.712   5.723   2.835
   51    H    CYS   8           H        CYS   8   6.429   3.333  -0.836
   52    HA   CYS   8           HA       CYS   8   5.538   1.247   1.095
   53   1HB   CYS   8          1HB       CYS   8   5.716   1.040  -1.921
   54   2HB   CYS   8          2HB       CYS   8   5.189  -0.230  -0.782
   55    H    SER   9           H        SER   9   8.036   2.598   1.223
   56    HA   SER   9           HA       SER   9   9.970   0.700   0.170
   57   1HB   SER   9          1HB       SER   9  10.717   2.852   2.112
   58   2HB   SER   9          2HB       SER   9  11.593   2.231   0.683
   59    HG   SER   9           HG       SER   9  10.563   3.440  -0.666
   60    H    GLU  10           H        GLU  10   8.911  -1.090   1.374
   61    HA   GLU  10           HA       GLU  10  10.169  -1.899   3.705
   62   1HB   GLU  10          1HB       GLU  10   9.203  -0.169   4.936
   63   2HB   GLU  10          2HB       GLU  10   7.792  -0.215   4.040
   64   1HG   GLU  10          1HG       GLU  10   6.983  -2.121   5.105
   65   2HG   GLU  10          2HG       GLU  10   8.410  -2.185   6.178
   66    OH   TYR  11           OH       TYR  11   1.422  -0.873   2.659
   67    H    TYR  11           H        TYR  11   7.210  -1.792   1.796
   68    HA   TYR  11           HA       TYR  11   6.347  -4.457   2.002
   69   1HB   TYR  11          2HB       TYR  11   6.466  -2.572  -0.376
   70   2HB   TYR  11          1HB       TYR  11   5.635  -4.153  -0.392
   71    HD1  TYR  11           HD2      TYR  11   5.639  -0.775   1.125
   72    HD2  TYR  11           HD1      TYR  11   3.462  -4.395   0.651
   73    HE1  TYR  11           HE2      TYR  11   3.675   0.282   2.147
   74    HE2  TYR  11           HE1      TYR  11   1.527  -3.388   1.786
   75    HH   TYR  11           HH       TYR  11   1.851  -0.464   3.572
   76    HA   PRO  12           HA       PRO  12   5.528  -5.785   0.111
   77   1HB   PRO  12          1HB       PRO  12   5.951  -8.405  -0.589
   78   2HB   PRO  12          2HB       PRO  12   6.134  -7.061  -1.750
   79   1HG   PRO  12          2HG       PRO  12   8.174  -8.841  -0.720
   80   2HG   PRO  12          1HG       PRO  12   8.346  -7.533  -1.924
   81   1HD   PRO  12          1HD       PRO  12   8.945  -7.498   1.018
   82   2HD   PRO  12          2HD       PRO  12   9.645  -6.506  -0.293
   83    H    LYS  13           H        LYS  13   4.131  -6.171   1.520
   84    HA   LYS  13           HA       LYS  13   4.933  -7.383   4.091
   85   1HB   LYS  13          1HB       LYS  13   3.044  -5.491   3.462
   86   2HB   LYS  13          2HB       LYS  13   2.065  -6.983   3.538
   87   1HG   LYS  13          1HG       LYS  13   2.363  -7.233   5.792
   88   2HG   LYS  13          2HG       LYS  13   3.995  -6.503   5.770
   89   1HD   LYS  13          2HD       LYS  13   3.001  -4.300   5.443
   90   2HD   LYS  13          1HD       LYS  13   1.398  -4.981   5.512
   91   1HE   LYS  13          1HE       LYS  13   1.534  -4.390   7.676
   92   2HE   LYS  13          2HE       LYS  13   2.393  -5.949   7.811
   93   1HZ   LYS  13          2HZ       LYS  13   4.357  -4.790   7.487
   94   2HZ   LYS  13          3HZ       LYS  13   3.533  -3.357   7.453
   95   3HZ   LYS  13          1HZ       LYS  13   3.554  -4.267   8.800
   96    HA   PRO  14           HA       PRO  14   3.864 -11.446   2.622
   97   1HB   PRO  14          2HB       PRO  14   3.663 -12.512   5.191
   98   2HB   PRO  14          1HB       PRO  14   5.197 -12.093   4.379
   99   1HG   PRO  14          1HG       PRO  14   4.070 -10.891   6.727
  100   2HG   PRO  14          2HG       PRO  14   5.548 -10.401   5.852
  101   1HD   PRO  14          1HD       PRO  14   2.781  -9.229   5.728
  102   2HD   PRO  14          2HD       PRO  14   4.361  -8.440   5.466
  103    H    ALA  15           H        ALA  15   1.510  -9.661   4.392
  104    HA   ALA  15           HA       ALA  15  -0.500 -11.734   3.645
  105   1HB   ALA  15          3HB       ALA  15   0.427 -10.978   6.171
  106   2HB   ALA  15          2HB       ALA  15  -1.157 -10.181   6.000
  107   3HB   ALA  15          1HB       ALA  15  -1.020 -11.946   5.790
  108    H    CYS  16           H        CYS  16  -2.068 -11.059   2.405
  109    HA   CYS  16           HA       CYS  16  -2.971  -8.246   2.400
  110   1HB   CYS  16          1HB       CYS  16  -3.727 -10.721   0.871
  111   2HB   CYS  16          2HB       CYS  16  -4.843  -9.331   0.973
  112    H    THR  17           H        THR  17  -5.639  -8.452   2.391
  113    HA   THR  17           HA       THR  17  -6.537 -10.382   4.389
  114    HB   THR  17           HB       THR  17  -5.936  -8.297   5.742
  115    HG1  THR  17           HG1      THR  17  -7.565  -8.442   6.842
  116   1HG2  THR  17          1HG2      THR  17  -6.733  -6.606   4.079
  117   2HG2  THR  17          3HG2      THR  17  -8.402  -7.092   4.466
  118   3HG2  THR  17          2HG2      THR  17  -7.367  -6.378   5.730
  119    H    LEU  18           H        LEU  18  -6.756  -9.697   1.480
  120    HA   LEU  18           HA       LEU  18  -9.718  -9.370   1.350
  121   1HB   LEU  18          1HB       LEU  18  -8.500  -7.426   0.581
  122   2HB   LEU  18          2HB       LEU  18  -7.531  -8.436  -0.531
  123    HG   LEU  18           HG       LEU  18 -10.496  -8.426  -0.866
  124   1HD1  LEU  18          1HD2      LEU  18  -8.698  -6.078  -1.074
  125   2HD1  LEU  18          3HD2      LEU  18  -9.764  -6.368  -2.473
  126   3HD1  LEU  18          2HD2      LEU  18 -10.464  -6.164  -0.846
  127   1HD2  LEU  18          3HD1      LEU  18  -8.035  -8.946  -2.425
  128   2HD2  LEU  18          1HD1      LEU  18  -9.654  -9.681  -2.544
  129   3HD2  LEU  18          2HD1      LEU  18  -9.335  -8.101  -3.304
  130   1H    GLU  19          1H        GLU  19  -6.187  -4.285   3.415
  131   2H    GLU  19          3H        GLU  19  -6.428  -3.112   4.525
  132   3H    GLU  19          2H        GLU  19  -6.620  -4.681   4.939
  133    HA   GLU  19           HA       GLU  19  -8.571  -4.949   3.803
  134   1HB   GLU  19          1HB       GLU  19  -8.943  -3.779   5.768
  135   2HB   GLU  19          2HB       GLU  19  -8.060  -2.458   5.246
  136   1HG   GLU  19          1HG       GLU  19  -9.920  -1.948   3.670
  137   2HG   GLU  19          2HG       GLU  19 -10.917  -2.966   4.747
  138    OH   TYR  20           OH       TYR  20 -11.796  -1.484  -5.285
  139    H    TYR  20           H        TYR  20 -10.280  -3.579   2.493
  140    HA   TYR  20           HA       TYR  20  -9.013  -3.230  -0.105
  141   1HB   TYR  20          1HB       TYR  20 -11.212  -4.339   0.097
  142   2HB   TYR  20          2HB       TYR  20 -11.906  -2.817   0.735
  143    HD1  TYR  20           HD1      TYR  20 -11.774  -0.742  -0.808
  144    HD2  TYR  20           HD2      TYR  20 -10.959  -4.665  -2.233
  145    HE1  TYR  20           HE1      TYR  20 -11.943   0.070  -3.120
  146    HE2  TYR  20           HE2      TYR  20 -11.057  -3.849  -4.547
  147    HH   TYR  20           HH       TYR  20 -10.860  -1.774  -5.760
  148    NH1  ARG  21           NH1      ARG  21  -5.571   5.108  -0.266
  149    NH2  ARG  21           NH2      ARG  21  -7.399   6.185   0.613
  150    H    ARG  21           H        ARG  21  -8.683  -1.421  -1.229
  151    HA   ARG  21           HA       ARG  21 -10.486   0.642  -1.277
  152   1HB   ARG  21          1HB       ARG  21  -9.145   2.594  -0.450
  153   2HB   ARG  21          2HB       ARG  21  -9.807   1.524   0.818
  154   1HG   ARG  21          1HG       ARG  21  -7.776   1.453   1.714
  155   2HG   ARG  21          2HG       ARG  21  -7.235   0.529   0.284
  156   1HD   ARG  21          1HD       ARG  21  -5.882   2.552   0.836
  157   2HD   ARG  21          2HD       ARG  21  -6.530   2.487  -0.827
  158    HE   ARG  21           HE       ARG  21  -8.390   3.912   0.692
  159   1HH1  ARG  21          2HH1      ARG  21  -5.109   4.267  -0.546
  160   2HH1  ARG  21          1HH1      ARG  21  -5.118   5.992  -0.389
  161   1HH2  ARG  21          2HH2      ARG  21  -8.321   6.157   1.000
  162   2HH2  ARG  21          1HH2      ARG  21  -6.937   7.062   0.483
  163    HA   PRO  22           HA       PRO  22  -8.301   0.427  -5.067
  164   1HB   PRO  22          1HB       PRO  22 -10.155   1.945  -6.353
  165   2HB   PRO  22          2HB       PRO  22 -10.597   0.399  -5.573
  166   1HG   PRO  22          1HG       PRO  22 -11.352   3.134  -4.822
  167   2HG   PRO  22          2HG       PRO  22 -12.010   1.579  -4.241
  168   1HD   PRO  22          1HD       PRO  22  -9.980   3.349  -2.983
  169   2HD   PRO  22          2HD       PRO  22 -10.947   2.043  -2.248
  170    H    LEU  23           H        LEU  23  -6.604   1.046  -5.940
  171    HA   LEU  23           HA       LEU  23  -6.063   3.974  -5.966
  172   1HB   LEU  23          1HB       LEU  23  -3.878   1.932  -6.207
  173   2HB   LEU  23          2HB       LEU  23  -3.799   3.633  -5.674
  174    HG   LEU  23           HG       LEU  23  -5.319   1.829  -3.889
  175   1HD1  LEU  23          2HD1      LEU  23  -2.563   1.217  -4.766
  176   2HD1  LEU  23          1HD1      LEU  23  -2.805   1.303  -3.003
  177   3HD1  LEU  23          3HD1      LEU  23  -3.784   0.182  -3.983
  178   1HD2  LEU  23          2HD2      LEU  23  -3.471   4.156  -3.816
  179   2HD2  LEU  23          3HD2      LEU  23  -4.968   3.842  -2.902
  180   3HD2  LEU  23          1HD2      LEU  23  -3.443   3.065  -2.408
  181    H    CYS  24           H        CYS  24  -4.103   4.027  -7.827
  182    HA   CYS  24           HA       CYS  24  -4.721   2.147  -9.949
  183   1HB   CYS  24          1HB       CYS  24  -6.005   4.216 -10.562
  184   2HB   CYS  24          2HB       CYS  24  -4.443   5.071 -10.670
  185    H    GLY  25           H        GLY  25  -2.867   1.106  -9.843
  186   1HA   GLY  25          2HA       GLY  25  -0.232   2.365  -9.528
  187   2HA   GLY  25          1HA       GLY  25  -0.585   0.678  -9.990
  188    H    SER  26           H        SER  26   1.308   2.256 -11.332
  189    HA   SER  26           HA       SER  26  -0.064   3.053 -13.854
  190   1HB   SER  26          1HB       SER  26   1.664   4.466 -14.409
  191   2HB   SER  26          2HB       SER  26   1.486   4.731 -12.652
  192    HG   SER  26           HG       SER  26   3.600   3.938 -14.195
  193    H    ASP  27           H        ASP  27   0.049   0.404 -13.236
  194    HA   ASP  27           HA       ASP  27   1.925  -0.491 -15.337
  195   1HB   ASP  27          1HB       ASP  27   1.916  -2.729 -14.490
  196   2HB   ASP  27          2HB       ASP  27   2.490  -1.592 -13.237
  197    H    ASN  28           H        ASN  28  -0.675   0.889 -15.350
  198    HA   ASN  28           HA       ASN  28  -2.490   0.904 -16.632
  199   1HB   ASN  28          2HB       ASN  28  -2.595  -0.267 -18.391
  200   2HB   ASN  28          1HB       ASN  28  -1.168  -1.171 -17.830
  201   1HD2  ASN  28          1HD2      ASN  28  -3.410  -3.916 -16.621
  202   2HD2  ASN  28          2HD2      ASN  28  -2.507  -2.711 -15.765
  203    H    LYS  29           H        LYS  29  -1.987  -0.971 -13.894
  204    HA   LYS  29           HA       LYS  29  -4.729  -2.001 -13.816
  205   1HB   LYS  29          1HB       LYS  29  -2.533  -2.461 -11.783
  206   2HB   LYS  29          2HB       LYS  29  -3.982  -3.455 -12.108
  207   1HG   LYS  29          1HG       LYS  29  -3.030  -3.969 -14.379
  208   2HG   LYS  29          2HG       LYS  29  -1.535  -3.125 -13.883
  209   1HD   LYS  29          1HD       LYS  29  -1.394  -4.708 -11.940
  210   2HD   LYS  29          2HD       LYS  29  -2.733  -5.584 -12.630
  211   1HE   LYS  29          1HE       LYS  29  -0.298  -5.052 -14.286
  212   2HE   LYS  29          2HE       LYS  29  -0.322  -6.364 -13.077
  213   1HZ   LYS  29          3HZ       LYS  29  -2.306  -7.069 -14.121
  214   2HZ   LYS  29          1HZ       LYS  29  -2.066  -5.981 -15.305
  215   3HZ   LYS  29          2HZ       LYS  29  -0.958  -7.147 -15.075
  216    H    THR  30           H        THR  30  -6.289  -1.392 -12.476
  217    HA   THR  30           HA       THR  30  -5.796   0.546 -10.298
  218    HB   THR  30           HB       THR  30  -8.338  -0.886 -11.251
  219    HG1  THR  30           HG1      THR  30  -7.746   0.471 -12.449
  220   1HG2  THR  30          2HG2      THR  30  -7.938  -0.113  -8.646
  221   2HG2  THR  30          1HG2      THR  30  -8.698   1.329  -9.365
  222   3HG2  THR  30          3HG2      THR  30  -9.515  -0.252  -9.461
  223    OH   TYR  31           OH       TYR  31   0.424  -3.759 -10.049
  224    H    TYR  31           H        TYR  31  -5.400  -0.046  -8.284
  225    HA   TYR  31           HA       TYR  31  -4.940  -2.935  -7.888
  226   1HB   TYR  31          2HB       TYR  31  -3.666  -0.410  -6.912
  227   2HB   TYR  31          1HB       TYR  31  -3.619  -1.837  -5.839
  228    HD1  TYR  31           HD2      TYR  31  -2.638  -3.988  -6.774
  229    HD2  TYR  31           HD1      TYR  31  -2.209  -0.279  -8.810
  230    HE1  TYR  31           HE2      TYR  31  -0.851  -4.958  -8.148
  231    HE2  TYR  31           HE1      TYR  31  -0.354  -1.210 -10.125
  232    HH   TYR  31           HH       TYR  31  -0.094  -4.634 -10.437
  233    H    GLY  32           H        GLY  32  -6.132  -4.102  -6.601
  234   1HA   GLY  32          2HA       GLY  32  -8.515  -3.136  -5.532
  235   2HA   GLY  32          1HA       GLY  32  -7.797  -4.719  -5.131
  236    H    ASN  33           H        ASN  33  -5.533  -4.098  -3.785
  237    HA   ASN  33           HA       ASN  33  -6.123  -2.072  -1.721
  238   1HB   ASN  33          1HB       ASN  33  -5.612  -4.032  -0.055
  239   2HB   ASN  33          2HB       ASN  33  -7.257  -3.689  -0.663
  240   1HD2  ASN  33          1HD2      ASN  33  -6.003  -7.370  -0.908
  241   2HD2  ASN  33          2HD2      ASN  33  -5.722  -6.186   0.326
  242    H    LYS  34           H        LYS  34  -4.392  -1.843  -0.140
  243    HA   LYS  34           HA       LYS  34  -2.250  -0.951  -1.581
  244   1HB   LYS  34          1HB       LYS  34  -3.051  -0.365   0.819
  245   2HB   LYS  34          2HB       LYS  34  -1.881  -1.612   1.336
  246   1HG   LYS  34          2HG       LYS  34  -0.273  -0.064   1.261
  247   2HG   LYS  34          1HG       LYS  34  -0.508   0.038  -0.507
  248   1HD   LYS  34          1HD       LYS  34  -1.469   2.048  -0.347
  249   2HD   LYS  34          2HD       LYS  34  -2.523   1.522   0.937
  250   1HE   LYS  34          1HE       LYS  34   0.111   1.743   2.002
  251   2HE   LYS  34          2HE       LYS  34  -0.281   3.221   1.083
  252   1HZ   LYS  34          1HZ       LYS  34  -2.049   2.035   2.979
  253   2HZ   LYS  34          2HZ       LYS  34  -0.903   3.116   3.383
  254   3HZ   LYS  34          3HZ       LYS  34  -2.095   3.516   2.309
  255    H    CYS  35           H        CYS  35  -2.577  -4.051   0.057
  256    HA   CYS  35           HA       CYS  35   0.151  -4.742   0.103
  257   1HB   CYS  35          1HB       CYS  35  -0.629  -7.071   0.348
  258   2HB   CYS  35          2HB       CYS  35  -1.402  -5.911   1.465
  259    H    ASN  36           H        ASN  36  -2.287  -5.023  -2.421
  260    HA   ASN  36           HA       ASN  36  -0.465  -6.561  -4.094
  261   1HB   ASN  36          1HB       ASN  36  -3.315  -6.133  -3.954
  262   2HB   ASN  36          2HB       ASN  36  -2.700  -5.938  -5.621
  263   1HD2  ASN  36          1HD2      ASN  36  -3.063  -9.599  -3.918
  264   2HD2  ASN  36          2HD2      ASN  36  -3.513  -8.141  -3.099
  265    H    PHE  37           H        PHE  37  -1.385  -3.268  -3.656
  266    HA   PHE  37           HA       PHE  37  -0.311  -2.243  -6.156
  267   1HB   PHE  37          1HB       PHE  37  -1.786  -0.811  -4.795
  268   2HB   PHE  37          2HB       PHE  37  -0.632  -0.895  -3.434
  269    HD1  PHE  37           HD1      PHE  37  -0.504  -0.231  -7.073
  270    HD2  PHE  37           HD2      PHE  37   0.727   1.046  -3.199
  271    HE1  PHE  37           HE1      PHE  37   0.781   1.593  -8.101
  272    HE2  PHE  37           HE2      PHE  37   2.180   2.768  -4.223
  273    HZ   PHE  37           HZ       PHE  37   2.294   2.946  -6.693
  274    H    CYS  38           H        CYS  38   0.917  -2.058  -2.795
  275    HA   CYS  38           HA       CYS  38   3.393  -1.070  -3.612
  276   1HB   CYS  38          1HB       CYS  38   2.672  -2.482  -1.032
  277   2HB   CYS  38          2HB       CYS  38   4.156  -1.530  -1.318
  278    H    ASN  39           H        ASN  39   2.265  -4.342  -3.436
  279    HA   ASN  39           HA       ASN  39   4.935  -5.544  -3.250
  280   1HB   ASN  39          1HB       ASN  39   2.172  -6.683  -3.568
  281   2HB   ASN  39          2HB       ASN  39   3.648  -7.659  -3.824
  282   1HD2  ASN  39          1HD2      ASN  39   3.025  -6.113  -0.033
  283   2HD2  ASN  39          2HD2      ASN  39   2.558  -5.199  -1.428
  284    H    ALA  40           H        ALA  40   2.592  -4.481  -5.614
  285    HA   ALA  40           HA       ALA  40   4.072  -5.470  -7.859
  286   1HB   ALA  40          3HB       ALA  40   1.661  -4.921  -7.872
  287   2HB   ALA  40          1HB       ALA  40   2.077  -3.193  -7.734
  288   3HB   ALA  40          2HB       ALA  40   2.574  -4.118  -9.175
  289    H    VAL  41           H        VAL  41   4.339  -2.669  -5.817
  290    HA   VAL  41           HA       VAL  41   6.090  -1.179  -7.582
  291    HB   VAL  41           HB       VAL  41   5.624  -1.005  -4.598
  292   1HG1  VAL  41          3HG1      VAL  41   7.323   0.635  -6.445
  293   2HG1  VAL  41          1HG1      VAL  41   6.515   1.409  -5.061
  294   3HG1  VAL  41          2HG1      VAL  41   7.651   0.066  -4.791
  295   1HG2  VAL  41          1HG2      VAL  41   3.646  -0.553  -6.046
  296   2HG2  VAL  41          3HG2      VAL  41   4.163   0.829  -5.050
  297   3HG2  VAL  41          2HG2      VAL  41   4.555   0.786  -6.786
  298    H    VAL  42           H        VAL  42   6.653  -3.077  -4.591
  299    HA   VAL  42           HA       VAL  42   9.435  -2.805  -4.690
  300    HB   VAL  42           HB       VAL  42   9.491  -4.665  -3.066
  301   1HG1  VAL  42          2HG1      VAL  42   7.729  -2.287  -2.737
  302   2HG1  VAL  42          1HG1      VAL  42   7.699  -3.528  -1.461
  303   3HG1  VAL  42          3HG1      VAL  42   9.233  -2.737  -1.897
  304   1HG2  VAL  42          2HG2      VAL  42   6.817  -5.177  -4.133
  305   2HG2  VAL  42          3HG2      VAL  42   7.940  -6.248  -3.263
  306   3HG2  VAL  42          1HG2      VAL  42   6.881  -5.143  -2.355
  307    H    GLU  43           H        GLU  43   7.345  -5.312  -6.060
  308    HA   GLU  43           HA       GLU  43   9.284  -6.906  -7.202
  309   1HB   GLU  43          1HB       GLU  43   6.572  -6.021  -8.182
  310   2HB   GLU  43          2HB       GLU  43   7.512  -7.121  -9.020
  311   1HG   GLU  43          1HG       GLU  43   5.642  -7.680  -7.223
  312   2HG   GLU  43          2HG       GLU  43   6.792  -8.836  -7.952
  313    H    SER  44           H        SER  44   7.943  -3.849  -8.449
  314    HA   SER  44           HA       SER  44   9.107  -4.144 -11.106
  315   1HB   SER  44          1HB       SER  44   8.641  -1.536 -11.015
  316   2HB   SER  44          2HB       SER  44   7.355  -2.740 -11.319
  317    HG   SER  44           HG       SER  44   8.029  -1.116  -9.050
  318    H    ASN  45           H        ASN  45  10.138  -3.120  -7.968
  319    HA   ASN  45           HA       ASN  45  12.167  -2.483  -7.177
  320   1HB   ASN  45          1HB       ASN  45  13.103  -3.321  -9.910
  321   2HB   ASN  45          2HB       ASN  45  14.187  -2.600  -8.685
  322   1HD2  ASN  45          1HD2      ASN  45  13.655  -5.424  -6.381
  323   2HD2  ASN  45          2HD2      ASN  45  13.487  -3.700  -6.349
  324    H    GLY  46           H        GLY  46  10.130  -0.814  -8.529
  325   1HA   GLY  46          1HA       GLY  46  10.005   1.536  -8.747
  326   2HA   GLY  46          2HA       GLY  46  11.764   1.593  -9.039
  327    H    THR  47           H        THR  47   8.757   0.286 -10.490
  328    HA   THR  47           HA       THR  47   9.410   1.855 -12.858
  329    HB   THR  47           HB       THR  47  10.146  -0.582 -13.340
  330    HG1  THR  47           HG1      THR  47   8.169   0.614 -14.801
  331   1HG2  THR  47          3HG2      THR  47   7.454  -1.175 -12.630
  332   2HG2  THR  47          2HG2      THR  47   7.669  -1.526 -14.364
  333   3HG2  THR  47          1HG2      THR  47   8.758  -2.266 -13.163
  334    H    LEU  48           H        LEU  48   7.110  -0.163 -11.052
  335    HA   LEU  48           HA       LEU  48   4.796   0.925 -12.327
  336   1HB   LEU  48          1HB       LEU  48   4.597  -1.188 -11.451
  337   2HB   LEU  48          2HB       LEU  48   5.407  -0.754  -9.924
  338    HG   LEU  48           HG       LEU  48   3.049   0.778  -9.973
  339   1HD1  LEU  48          2HD1      LEU  48   2.717  -1.823 -11.365
  340   2HD1  LEU  48          1HD1      LEU  48   1.530  -1.446 -10.089
  341   3HD1  LEU  48          3HD1      LEU  48   1.754  -0.328 -11.458
  342   1HD2  LEU  48          2HD2      LEU  48   4.370  -0.649  -8.188
  343   2HD2  LEU  48          3HD2      LEU  48   2.634  -0.300  -7.989
  344   3HD2  LEU  48          1HD2      LEU  48   3.158  -1.887  -8.606
  345    H    THR  49           H        THR  49   5.131   1.122  -8.825
  346    HA   THR  49           HA       THR  49   4.275   2.640  -7.374
  347    HB   THR  49           HB       THR  49   5.246   4.833  -7.337
  348    HG1  THR  49           HG1      THR  49   6.095   4.195  -9.853
  349   1HG2  THR  49          2HG2      THR  49   6.903   2.505  -7.753
  350   2HG2  THR  49          1HG2      THR  49   7.741   3.991  -8.268
  351   3HG2  THR  49          3HG2      THR  49   7.077   3.870  -6.619
  352    H    LEU  50           H        LEU  50   3.273   4.998  -7.258
  353    HA   LEU  50           HA       LEU  50   0.710   4.255  -8.394
  354   1HB   LEU  50          1HB       LEU  50   0.781   4.501  -6.080
  355   2HB   LEU  50          2HB       LEU  50   1.711   6.023  -6.170
  356    HG   LEU  50           HG       LEU  50  -0.527   6.882  -7.318
  357   1HD1  LEU  50          3HD1      LEU  50  -1.236   4.331  -5.993
  358   2HD1  LEU  50          1HD1      LEU  50  -2.268   5.724  -5.579
  359   3HD1  LEU  50          2HD1      LEU  50  -2.073   5.234  -7.282
  360   1HD2  LEU  50          1HD2      LEU  50   0.795   7.298  -5.017
  361   2HD2  LEU  50          2HD2      LEU  50  -0.787   8.038  -5.373
  362   3HD2  LEU  50          3HD2      LEU  50  -0.695   6.576  -4.359
  363    H    SER  51           H        SER  51  -0.139   5.096 -10.128
  364    HA   SER  51           HA       SER  51   0.432   7.652 -11.278
  365   1HB   SER  51          1HB       SER  51  -0.762   5.740 -12.390
  366   2HB   SER  51          2HB       SER  51  -2.201   6.165 -11.419
  367    HG   SER  51           HG       SER  51  -2.707   7.577 -12.791
  368    H    HIS  52           H        HIS  52  -2.449   6.609  -9.414
  369    HA   HIS  52           HA       HIS  52  -2.152   8.860  -7.594
  370   1HB   HIS  52          1HB       HIS  52  -4.530   9.660  -7.965
  371   2HB   HIS  52          2HB       HIS  52  -3.354  10.126  -9.230
  372    HD1  HIS  52           HD1      HIS  52  -6.726   9.147  -9.111
  373    HD2  HIS  52           HD2      HIS  52  -3.451   7.452 -11.044
  374    HE1  HIS  52           HE1      HIS  52  -7.650   7.624 -10.876
  375    HE2  HIS  52           HE2      HIS  52  -5.671   6.805 -12.211
  376    H    PHE  53           H        PHE  53  -3.804   8.820  -5.902
  377    HA   PHE  53           HA       PHE  53  -4.630   6.091  -5.201
  378   1HB   PHE  53          1HB       PHE  53  -5.212   8.703  -3.736
  379   2HB   PHE  53          2HB       PHE  53  -5.549   7.049  -3.149
  380    HD1  PHE  53           HD2      PHE  53  -2.621   9.194  -4.269
  381    HD2  PHE  53           HD1      PHE  53  -4.000   5.833  -2.051
  382    HE1  PHE  53           HE2      PHE  53  -0.487   9.155  -3.017
  383    HE2  PHE  53           HE1      PHE  53  -1.879   5.746  -0.819
  384    HZ   PHE  53           HZ       PHE  53  -0.121   7.408  -1.298
  385    H    GLY  54           H        GLY  54  -6.968   6.056  -4.221
  386   1HA   GLY  54          2HA       GLY  54  -9.193   5.782  -4.815
  387   2HA   GLY  54          1HA       GLY  54  -9.069   7.219  -5.865
  388    H    LYS  55           H        LYS  55 -10.476   5.164  -6.829
  389    HA   LYS  55           HA       LYS  55  -9.041   3.394  -8.580
  390   1HB   LYS  55          1HB       LYS  55 -11.688   4.676  -9.263
  391   2HB   LYS  55          2HB       LYS  55 -11.059   3.064  -9.709
  392   1HG   LYS  55          1HG       LYS  55 -11.299   3.391  -6.810
  393   2HG   LYS  55          2HG       LYS  55 -12.852   3.653  -7.651
  394   1HD   LYS  55          1HD       LYS  55 -11.108   1.241  -8.128
  395   2HD   LYS  55          2HD       LYS  55 -12.313   1.313  -6.871
  396   1HE   LYS  55          1HE       LYS  55 -14.052   1.807  -8.542
  397   2HE   LYS  55          2HE       LYS  55 -12.812   1.655  -9.816
  398   1HZ   LYS  55          1HZ       LYS  55 -13.560  -0.364  -7.931
  399   2HZ   LYS  55          2HZ       LYS  55 -14.054  -0.256  -9.477
  400   3HZ   LYS  55          3HZ       LYS  55 -12.456  -0.489  -9.119
  401    H    CYS  56           H        CYS  56  -9.297   3.678 -11.011
  402    HA   CYS  56           HA       CYS  56  -7.329   5.637 -11.412
  403   1HB   CYS  56          1HB       CYS  56  -7.801   3.229 -12.432
  404   2HB   CYS  56          2HB       CYS  56  -8.524   4.198 -13.747
   
  Start of MODEL          10
 Raw file had 404 H/Q atoms
  Start of MODEL   10
    1   1H    LEU   1          3H        LEU   1   2.126  13.518   7.156
    2   2H    LEU   1          1H        LEU   1   0.907  12.947   8.081
    3   3H    LEU   1          2H        LEU   1   0.865  12.747   6.460
    4    HA   LEU   1           HA       LEU   1  -0.638  14.431   6.957
    5   1HB   LEU   1          2HB       LEU   1  -0.023  14.998   9.115
    6   2HB   LEU   1          1HB       LEU   1   1.684  15.278   8.670
    7    HG   LEU   1           HG       LEU   1  -0.395  17.129   7.584
    8   1HD1  LEU   1          3HD2      LEU   1   0.426  16.791  10.450
    9   2HD1  LEU   1          1HD2      LEU   1   0.145  18.431   9.811
   10   3HD1  LEU   1          2HD2      LEU   1  -1.159  17.218   9.758
   11   1HD2  LEU   1          3HD1      LEU   1   2.370  16.975   7.525
   12   2HD2  LEU   1          1HD1      LEU   1   1.390  18.420   7.173
   13   3HD2  LEU   1          2HD1      LEU   1   2.053  18.170   8.808
   14    H    ALA   2           H        ALA   2  -0.972  15.363   5.080
   15    HA   ALA   2           HA       ALA   2  -0.663  16.539   3.132
   16   1HB   ALA   2          3HB       ALA   2   0.498  18.200   4.667
   17   2HB   ALA   2          2HB       ALA   2   2.029  17.445   4.155
   18   3HB   ALA   2          1HB       ALA   2   0.968  18.213   2.948
   19    H    ALA   3           H        ALA   3   0.246  16.113   1.145
   20    HA   ALA   3           HA       ALA   3   1.479  15.034  -0.468
   21   1HB   ALA   3          2HB       ALA   3   3.441  15.870   1.027
   22   2HB   ALA   3          1HB       ALA   3   3.525  14.169   1.552
   23   3HB   ALA   3          3HB       ALA   3   3.717  14.580  -0.171
   24    H    VAL   4           H        VAL   4   0.074  13.462  -0.913
   25    HA   VAL   4           HA       VAL   4  -0.541  11.436   1.046
   26    HB   VAL   4           HB       VAL   4  -2.243  12.518  -0.310
   27   1HG1  VAL   4          1HG1      VAL   4  -0.829  11.220  -2.631
   28   2HG1  VAL   4          2HG1      VAL   4  -2.558  11.636  -2.704
   29   3HG1  VAL   4          3HG1      VAL   4  -1.346  12.911  -2.427
   30   1HG2  VAL   4          3HG2      VAL   4  -2.454  10.163   0.636
   31   2HG2  VAL   4          2HG2      VAL   4  -3.613  10.643  -0.627
   32   3HG2  VAL   4          1HG2      VAL   4  -2.235   9.593  -1.036
   33    H    SER   5           H        SER   5   1.666  11.661  -1.574
   34    HA   SER   5           HA       SER   5   1.352   9.247  -2.802
   35   1HB   SER   5          1HB       SER   5   2.673  10.880  -3.850
   36   2HB   SER   5          2HB       SER   5   3.836  10.943  -2.494
   37    HG   SER   5           HG       SER   5   3.835   9.509  -4.774
   38    H    VAL   6           H        VAL   6   2.951   7.428  -2.966
   39    HA   VAL   6           HA       VAL   6   2.841   6.296  -0.251
   40    HB   VAL   6           HB       VAL   6   2.836   4.793  -2.868
   41   1HG1  VAL   6          1HG1      VAL   6   3.152   3.598  -0.638
   42   2HG1  VAL   6          2HG1      VAL   6   1.457   4.020  -0.298
   43   3HG1  VAL   6          3HG1      VAL   6   1.857   3.008  -1.707
   44   1HG2  VAL   6          3HG2      VAL   6   1.060   6.662  -2.676
   45   2HG2  VAL   6          1HG2      VAL   6   0.553   5.024  -3.152
   46   3HG2  VAL   6          2HG2      VAL   6   0.291   5.588  -1.484
   47    H    ASP   7           H        ASP   7   4.551   5.688   0.806
   48    HA   ASP   7           HA       ASP   7   6.969   4.939  -0.724
   49   1HB   ASP   7          1HB       ASP   7   6.975   6.729   1.116
   50   2HB   ASP   7          2HB       ASP   7   6.941   5.342   2.243
   51    H    CYS   8           H        CYS   8   6.841   2.916  -1.331
   52    HA   CYS   8           HA       CYS   8   6.082   0.899   0.701
   53   1HB   CYS   8          1HB       CYS   8   6.368   0.512  -2.288
   54   2HB   CYS   8          2HB       CYS   8   5.631  -0.591  -1.096
   55    H    SER   9           H        SER   9   8.571   2.059   1.014
   56    HA   SER   9           HA       SER   9  10.373  -0.207   0.415
   57   1HB   SER   9          1HB       SER   9  10.774   2.523   1.613
   58   2HB   SER   9          2HB       SER   9  11.986   1.227   1.828
   59    HG   SER   9           HG       SER   9  12.230   0.966  -0.357
   60    H    GLU  10           H        GLU  10   8.123  -0.893   1.850
   61    HA   GLU  10           HA       GLU  10   9.570  -2.009   4.140
   62   1HB   GLU  10          1HB       GLU  10   7.659  -0.141   4.593
   63   2HB   GLU  10          2HB       GLU  10   6.676  -1.475   4.368
   64   1HG   GLU  10          1HG       GLU  10   6.828  -2.215   6.287
   65   2HG   GLU  10          2HG       GLU  10   8.611  -2.132   6.357
   66    OH   TYR  11           OH       TYR  11   1.857  -1.412   2.152
   67    H    TYR  11           H        TYR  11   8.745  -2.564   1.281
   68    HA   TYR  11           HA       TYR  11   7.067  -4.984   1.740
   69   1HB   TYR  11          1HB       TYR  11   7.074  -2.959  -0.525
   70   2HB   TYR  11          2HB       TYR  11   6.276  -4.553  -0.631
   71    HD1  TYR  11           HD2      TYR  11   6.116  -1.181   0.756
   72    HD2  TYR  11           HD1      TYR  11   4.221  -4.987   0.666
   73    HE1  TYR  11           HE2      TYR  11   4.078  -0.181   1.685
   74    HE2  TYR  11           HE1      TYR  11   2.124  -3.966   1.440
   75    HH   TYR  11           HH       TYR  11   2.223  -0.893   3.036
   76    HA   PRO  12           HA       PRO  12   6.124  -6.264  -0.042
   77   1HB   PRO  12          1HB       PRO  12   6.519  -8.848  -0.892
   78   2HB   PRO  12          2HB       PRO  12   6.467  -7.466  -2.022
   79   1HG   PRO  12          2HG       PRO  12   8.700  -9.193  -1.404
   80   2HG   PRO  12          1HG       PRO  12   8.640  -7.827  -2.553
   81   1HD   PRO  12          1HD       PRO  12   9.657  -7.883   0.282
   82   2HD   PRO  12          2HD       PRO  12  10.160  -6.844  -1.081
   83    H    LYS  13           H        LYS  13   4.934  -6.966   1.500
   84    HA   LYS  13           HA       LYS  13   6.432  -7.600   3.991
   85   1HB   LYS  13          1HB       LYS  13   3.870  -7.575   4.799
   86   2HB   LYS  13          2HB       LYS  13   4.921  -6.132   4.769
   87   1HG   LYS  13          1HG       LYS  13   2.849  -5.453   3.846
   88   2HG   LYS  13          2HG       LYS  13   3.959  -5.647   2.459
   89   1HD   LYS  13          1HD       LYS  13   3.006  -7.975   2.187
   90   2HD   LYS  13          2HD       LYS  13   1.792  -7.524   3.354
   91   1HE   LYS  13          2HE       LYS  13   1.216  -5.569   1.905
   92   2HE   LYS  13          1HE       LYS  13   2.271  -6.281   0.656
   93   1HZ   LYS  13          3HZ       LYS  13   0.944  -8.253   1.002
   94   2HZ   LYS  13          1HZ       LYS  13  -0.114  -7.323   1.816
   95   3HZ   LYS  13          2HZ       LYS  13   0.216  -6.965   0.265
   96    HA   PRO  14           HA       PRO  14   4.943 -11.935   4.248
   97   1HB   PRO  14          1HB       PRO  14   3.060 -11.363   6.394
   98   2HB   PRO  14          2HB       PRO  14   4.654 -12.159   6.503
   99   1HG   PRO  14          2HG       PRO  14   3.901  -9.341   7.064
  100   2HG   PRO  14          1HG       PRO  14   5.309 -10.280   7.636
  101   1HD   PRO  14          1HD       PRO  14   5.603  -8.279   5.801
  102   2HD   PRO  14          2HD       PRO  14   6.579  -9.773   5.669
  103    H    ALA  15           H        ALA  15   2.103  -9.873   4.756
  104    HA   ALA  15           HA       ALA  15   0.740 -10.819   2.416
  105   1HB   ALA  15          1HB       ALA  15   1.008 -12.712   4.509
  106   2HB   ALA  15          2HB       ALA  15  -0.682 -12.147   4.513
  107   3HB   ALA  15          3HB       ALA  15   0.028 -12.819   3.024
  108    H    CYS  16           H        CYS  16  -1.838 -10.983   3.424
  109    HA   CYS  16           HA       CYS  16  -2.382  -8.440   4.799
  110   1HB   CYS  16          1HB       CYS  16  -1.740  -8.207   2.241
  111   2HB   CYS  16          2HB       CYS  16  -3.427  -8.744   2.010
  112    H    THR  17           H        THR  17  -4.735  -8.008   4.879
  113    HA   THR  17           HA       THR  17  -6.251 -10.493   5.105
  114    HB   THR  17           HB       THR  17  -7.922  -9.171   6.298
  115    HG1  THR  17           HG1      THR  17  -7.999  -7.272   6.283
  116   1HG2  THR  17          2HG2      THR  17  -5.136  -8.278   7.079
  117   2HG2  THR  17          1HG2      THR  17  -6.596  -8.037   8.073
  118   3HG2  THR  17          3HG2      THR  17  -6.035  -9.687   7.697
  119    H    LEU  18           H        LEU  18  -5.521  -9.335   2.439
  120    HA   LEU  18           HA       LEU  18  -8.113 -10.054   1.327
  121   1HB   LEU  18          1HB       LEU  18  -7.397  -7.345   1.490
  122   2HB   LEU  18          2HB       LEU  18  -7.090  -7.817  -0.206
  123    HG   LEU  18           HG       LEU  18  -9.273  -6.903  -0.106
  124   1HD1  LEU  18          3HD1      LEU  18  -8.851  -9.202  -1.263
  125   2HD1  LEU  18          2HD1      LEU  18  -9.860  -9.851   0.055
  126   3HD1  LEU  18          1HD1      LEU  18 -10.522  -8.621  -1.051
  127   1HD2  LEU  18          1HD2      LEU  18  -9.281  -7.492   2.477
  128   2HD2  LEU  18          3HD2      LEU  18 -10.799  -7.274   1.570
  129   3HD2  LEU  18          2HD2      LEU  18 -10.194  -8.914   1.913
  130   1H    GLU  19          1H        GLU  19  -5.601  -4.244   3.864
  131   2H    GLU  19          3H        GLU  19  -6.093  -5.118   5.154
  132   3H    GLU  19          2H        GLU  19  -6.259  -5.722   3.646
  133    HA   GLU  19           HA       GLU  19  -8.383  -5.070   4.142
  134   1HB   GLU  19          1HB       GLU  19  -7.141  -3.774   6.087
  135   2HB   GLU  19          2HB       GLU  19  -7.184  -2.493   5.013
  136   1HG   GLU  19          1HG       GLU  19  -9.039  -1.819   5.576
  137   2HG   GLU  19          2HG       GLU  19  -9.851  -3.382   5.280
  138    OH   TYR  20           OH       TYR  20 -11.264  -1.555  -4.924
  139    H    TYR  20           H        TYR  20  -9.742  -3.819   2.791
  140    HA   TYR  20           HA       TYR  20  -8.451  -3.351   0.257
  141   1HB   TYR  20          1HB       TYR  20 -10.640  -4.474   0.417
  142   2HB   TYR  20          2HB       TYR  20 -11.356  -2.972   1.074
  143    HD1  TYR  20           HD1      TYR  20 -11.245  -0.873  -0.438
  144    HD2  TYR  20           HD2      TYR  20 -10.389  -4.767  -1.915
  145    HE1  TYR  20           HE1      TYR  20 -11.396  -0.027  -2.740
  146    HE2  TYR  20           HE2      TYR  20 -10.520  -3.929  -4.219
  147    HH   TYR  20           HH       TYR  20 -12.060  -2.210  -5.273
  148    NH1  ARG  21           NH1      ARG  21  -8.838   3.936   2.227
  149    NH2  ARG  21           NH2      ARG  21  -7.063   5.379   2.437
  150    H    ARG  21           H        ARG  21  -8.194  -1.524  -0.896
  151    HA   ARG  21           HA       ARG  21  -9.999   0.543  -0.853
  152   1HB   ARG  21          1HB       ARG  21  -8.616   2.479  -0.047
  153   2HB   ARG  21          2HB       ARG  21  -9.250   1.395   1.224
  154   1HG   ARG  21          2HG       ARG  21  -6.824   0.282   0.873
  155   2HG   ARG  21          1HG       ARG  21  -6.445   1.963   0.402
  156   1HD   ARG  21          1HD       ARG  21  -8.067   1.566   2.849
  157   2HD   ARG  21          2HD       ARG  21  -6.349   1.083   2.916
  158    HE   ARG  21           HE       ARG  21  -5.754   3.314   2.860
  159   1HH1  ARG  21          2HH1      ARG  21  -9.209   3.008   2.228
  160   2HH1  ARG  21          1HH1      ARG  21  -9.449   4.718   2.103
  161   1HH2  ARG  21          2HH2      ARG  21  -6.087   5.540   2.586
  162   2HH2  ARG  21          1HH2      ARG  21  -7.685   6.152   2.317
  163    HA   PRO  22           HA       PRO  22  -7.996   0.406  -4.727
  164   1HB   PRO  22          1HB       PRO  22  -9.856   2.038  -5.876
  165   2HB   PRO  22          2HB       PRO  22 -10.302   0.466  -5.154
  166   1HG   PRO  22          1HG       PRO  22 -10.991   3.164  -4.258
  167   2HG   PRO  22          2HG       PRO  22 -11.613   1.593  -3.682
  168   1HD   PRO  22          1HD       PRO  22  -9.493   3.328  -2.512
  169   2HD   PRO  22          2HD       PRO  22 -10.447   2.032  -1.741
  170    H    LEU  23           H        LEU  23  -6.471   1.074  -5.902
  171    HA   LEU  23           HA       LEU  23  -6.180   3.977  -6.177
  172   1HB   LEU  23          1HB       LEU  23  -3.674   2.328  -5.991
  173   2HB   LEU  23          2HB       LEU  23  -3.898   4.092  -5.829
  174    HG   LEU  23           HG       LEU  23  -5.284   3.161  -3.661
  175   1HD1  LEU  23          3HD1      LEU  23  -4.235   0.859  -4.414
  176   2HD1  LEU  23          1HD1      LEU  23  -2.785   1.511  -3.610
  177   3HD1  LEU  23          2HD1      LEU  23  -4.302   1.323  -2.695
  178   1HD2  LEU  23          3HD2      LEU  23  -3.600   4.966  -3.781
  179   2HD2  LEU  23          2HD2      LEU  23  -3.345   3.892  -2.383
  180   3HD2  LEU  23          1HD2      LEU  23  -2.308   3.740  -3.824
  181    H    CYS  24           H        CYS  24  -4.065   3.942  -7.963
  182    HA   CYS  24           HA       CYS  24  -4.435   1.685  -9.756
  183   1HB   CYS  24          1HB       CYS  24  -5.835   3.515 -10.744
  184   2HB   CYS  24          2HB       CYS  24  -4.341   4.475 -10.923
  185    H    GLY  25           H        GLY  25  -2.536   1.275 -10.994
  186   1HA   GLY  25          1HA       GLY  25  -0.075   2.243  -9.631
  187   2HA   GLY  25          2HA       GLY  25  -0.185   0.863 -10.758
  188    H    SER  26           H        SER  26   1.746   2.249 -11.533
  189    HA   SER  26           HA       SER  26   0.753   3.925 -13.777
  190   1HB   SER  26          1HB       SER  26   3.646   3.265 -13.303
  191   2HB   SER  26          2HB       SER  26   2.917   4.644 -14.175
  192    HG   SER  26           HG       SER  26   2.585   5.751 -12.453
  193    H    ASP  27           H        ASP  27   0.296   0.999 -13.300
  194    HA   ASP  27           HA       ASP  27   1.801  -0.100 -15.608
  195   1HB   ASP  27          1HB       ASP  27   1.593  -2.279 -14.678
  196   2HB   ASP  27          2HB       ASP  27   2.323  -1.170 -13.482
  197    H    ASN  28           H        ASN  28  -0.793   1.491 -15.411
  198    HA   ASN  28           HA       ASN  28  -2.923   1.479 -16.185
  199   1HB   ASN  28          1HB       ASN  28  -2.031  -0.779 -17.962
  200   2HB   ASN  28          2HB       ASN  28  -3.228   0.510 -18.282
  201   1HD2  ASN  28          1HD2      ASN  28  -0.335   2.960 -18.278
  202   2HD2  ASN  28          2HD2      ASN  28  -1.592   2.640 -17.130
  203    H    LYS  29           H        LYS  29  -2.411  -0.175 -13.851
  204    HA   LYS  29           HA       LYS  29  -4.950  -1.735 -14.068
  205   1HB   LYS  29          1HB       LYS  29  -2.828  -2.479 -12.098
  206   2HB   LYS  29          2HB       LYS  29  -4.041  -3.492 -12.932
  207   1HG   LYS  29          2HG       LYS  29  -1.650  -2.262 -14.343
  208   2HG   LYS  29          1HG       LYS  29  -1.614  -3.881 -13.586
  209   1HD   LYS  29          1HD       LYS  29  -3.869  -3.351 -15.430
  210   2HD   LYS  29          2HD       LYS  29  -2.292  -3.276 -16.166
  211   1HE   LYS  29          1HE       LYS  29  -2.826  -5.596 -14.399
  212   2HE   LYS  29          2HE       LYS  29  -3.683  -5.517 -15.962
  213   1HZ   LYS  29          2HZ       LYS  29  -1.539  -5.081 -16.887
  214   2HZ   LYS  29          3HZ       LYS  29  -0.889  -5.536 -15.435
  215   3HZ   LYS  29          1HZ       LYS  29  -1.781  -6.581 -16.306
  216    H    THR  30           H        THR  30  -6.416  -1.512 -12.506
  217    HA   THR  30           HA       THR  30  -6.021   0.338 -10.262
  218    HB   THR  30           HB       THR  30  -8.325  -1.648 -10.589
  219    HG1  THR  30           HG1      THR  30  -8.170  -0.813 -12.288
  220   1HG2  THR  30          2HG2      THR  30  -8.151   1.076  -9.275
  221   2HG2  THR  30          1HG2      THR  30  -9.635   0.105  -9.450
  222   3HG2  THR  30          3HG2      THR  30  -8.286  -0.502  -8.456
  223    OH   TYR  31           OH       TYR  31   0.205  -3.898 -10.242
  224    H    TYR  31           H        TYR  31  -5.713  -0.248  -8.162
  225    HA   TYR  31           HA       TYR  31  -4.984  -3.101  -7.710
  226   1HB   TYR  31          1HB       TYR  31  -3.697  -0.503  -6.959
  227   2HB   TYR  31          2HB       TYR  31  -3.579  -1.865  -5.808
  228    HD1  TYR  31           HD2      TYR  31  -2.971  -4.182  -7.083
  229    HD2  TYR  31           HD1      TYR  31  -1.977  -0.308  -8.527
  230    HE1  TYR  31           HE2      TYR  31  -1.278  -5.175  -8.556
  231    HE2  TYR  31           HE1      TYR  31  -0.226  -1.282  -9.951
  232    HH   TYR  31           HH       TYR  31   1.027  -3.187 -10.297
  233    H    GLY  32           H        GLY  32  -6.022  -4.190  -6.230
  234   1HA   GLY  32          1HA       GLY  32  -8.450  -3.227  -5.252
  235   2HA   GLY  32          2HA       GLY  32  -7.662  -4.731  -4.703
  236    H    ASN  33           H        ASN  33  -5.450  -3.945  -3.414
  237    HA   ASN  33           HA       ASN  33  -6.235  -1.764  -1.574
  238   1HB   ASN  33          2HB       ASN  33  -4.851  -3.116   0.173
  239   2HB   ASN  33          1HB       ASN  33  -6.588  -3.432  -0.105
  240   1HD2  ASN  33          1HD2      ASN  33  -5.490  -6.804  -0.057
  241   2HD2  ASN  33          2HD2      ASN  33  -6.004  -5.507   0.974
  242    H    LYS  34           H        LYS  34  -4.226  -1.080  -0.252
  243    HA   LYS  34           HA       LYS  34  -2.099  -0.299  -2.061
  244   1HB   LYS  34          1HB       LYS  34  -2.745   1.083  -0.128
  245   2HB   LYS  34          2HB       LYS  34  -2.217  -0.222   0.973
  246   1HG   LYS  34          1HG       LYS  34   0.053   0.086  -0.451
  247   2HG   LYS  34          2HG       LYS  34  -0.607   1.740  -0.600
  248   1HD   LYS  34          1HD       LYS  34  -0.957   1.170   2.072
  249   2HD   LYS  34          2HD       LYS  34   0.538   0.354   1.703
  250   1HE   LYS  34          1HE       LYS  34   1.035   2.554   2.478
  251   2HE   LYS  34          2HE       LYS  34   1.467   2.393   0.754
  252   1HZ   LYS  34          3HZ       LYS  34  -0.982   3.483   1.730
  253   2HZ   LYS  34          1HZ       LYS  34   0.337   4.363   1.366
  254   3HZ   LYS  34          2HZ       LYS  34  -0.379   3.497   0.190
  255    H    CYS  35           H        CYS  35  -2.789  -3.007   0.010
  256    HA   CYS  35           HA       CYS  35  -0.243  -4.142   0.253
  257   1HB   CYS  35          1HB       CYS  35  -3.010  -5.292   0.027
  258   2HB   CYS  35          2HB       CYS  35  -1.573  -6.352   0.089
  259    H    ASN  36           H        ASN  36  -2.590  -4.389  -2.425
  260    HA   ASN  36           HA       ASN  36  -0.831  -6.251  -3.832
  261   1HB   ASN  36          1HB       ASN  36  -3.627  -5.286  -4.265
  262   2HB   ASN  36          2HB       ASN  36  -2.712  -6.060  -5.591
  263   1HD2  ASN  36          1HD2      ASN  36  -3.300  -8.342  -2.186
  264   2HD2  ASN  36          2HD2      ASN  36  -2.843  -6.676  -2.052
  265    H    PHE  37           H        PHE  37  -1.449  -2.870  -3.732
  266    HA   PHE  37           HA       PHE  37  -0.212  -2.142  -6.232
  267   1HB   PHE  37          1HB       PHE  37  -1.474  -0.475  -4.939
  268   2HB   PHE  37          2HB       PHE  37  -0.329  -0.637  -3.578
  269    HD1  PHE  37           HD1      PHE  37  -0.312  -0.013  -7.226
  270    HD2  PHE  37           HD2      PHE  37   1.310   1.095  -3.446
  271    HE1  PHE  37           HE1      PHE  37   1.095   1.665  -8.338
  272    HE2  PHE  37           HE2      PHE  37   2.913   2.609  -4.572
  273    HZ   PHE  37           HZ       PHE  37   2.853   2.820  -7.042
  274    H    CYS  38           H        CYS  38   1.089  -1.984  -2.895
  275    HA   CYS  38           HA       CYS  38   3.625  -1.362  -3.779
  276   1HB   CYS  38          1HB       CYS  38   2.770  -2.552  -1.131
  277   2HB   CYS  38          2HB       CYS  38   4.384  -1.865  -1.468
  278    H    ASN  39           H        ASN  39   2.178  -4.494  -3.465
  279    HA   ASN  39           HA       ASN  39   4.695  -5.981  -3.436
  280   1HB   ASN  39          1HB       ASN  39   1.810  -6.708  -3.561
  281   2HB   ASN  39          2HB       ASN  39   3.019  -7.849  -4.215
  282   1HD2  ASN  39          1HD2      ASN  39   2.233  -7.965  -0.364
  283   2HD2  ASN  39          2HD2      ASN  39   1.194  -7.355  -1.608
  284    H    ALA  40           H        ALA  40   2.311  -4.769  -5.741
  285    HA   ALA  40           HA       ALA  40   3.574  -5.778  -8.070
  286   1HB   ALA  40          3HB       ALA  40   1.260  -4.743  -7.813
  287   2HB   ALA  40          2HB       ALA  40   2.075  -3.162  -7.921
  288   3HB   ALA  40          1HB       ALA  40   2.190  -4.319  -9.272
  289    H    VAL  41           H        VAL  41   4.343  -3.148  -5.929
  290    HA   VAL  41           HA       VAL  41   5.942  -1.749  -7.912
  291    HB   VAL  41           HB       VAL  41   5.540  -1.225  -4.959
  292   1HG1  VAL  41          1HG1      VAL  41   7.264   0.040  -6.921
  293   2HG1  VAL  41          3HG1      VAL  41   6.087   1.189  -6.240
  294   3HG1  VAL  41          2HG1      VAL  41   7.166   0.275  -5.159
  295   1HG2  VAL  41          1HG2      VAL  41   3.620  -1.106  -6.893
  296   2HG2  VAL  41          3HG2      VAL  41   3.630  -0.150  -5.391
  297   3HG2  VAL  41          2HG2      VAL  41   4.249   0.560  -6.902
  298    H    VAL  42           H        VAL  42   6.565  -3.522  -4.874
  299    HA   VAL  42           HA       VAL  42   9.432  -3.081  -4.975
  300    HB   VAL  42           HB       VAL  42   9.442  -4.902  -3.232
  301   1HG1  VAL  42          1HG1      VAL  42   9.437  -2.483  -2.700
  302   2HG1  VAL  42          2HG1      VAL  42   7.660  -2.536  -2.602
  303   3HG1  VAL  42          3HG1      VAL  42   8.643  -3.482  -1.459
  304   1HG2  VAL  42          1HG2      VAL  42   6.808  -5.332  -4.137
  305   2HG2  VAL  42          2HG2      VAL  42   7.664  -6.139  -2.801
  306   3HG2  VAL  42          3HG2      VAL  42   6.681  -4.689  -2.482
  307    H    GLU  43           H        GLU  43   7.151  -5.501  -6.138
  308    HA   GLU  43           HA       GLU  43   9.062  -7.232  -7.269
  309   1HB   GLU  43          1HB       GLU  43   6.246  -6.473  -8.046
  310   2HB   GLU  43          2HB       GLU  43   7.134  -7.634  -8.859
  311   1HG   GLU  43          1HG       GLU  43   5.421  -8.104  -6.939
  312   2HG   GLU  43          2HG       GLU  43   6.645  -9.262  -7.530
  313    H    SER  44           H        SER  44   7.679  -4.195  -8.435
  314    HA   SER  44           HA       SER  44   8.485  -4.514 -11.202
  315   1HB   SER  44          1HB       SER  44   7.756  -2.359 -11.561
  316   2HB   SER  44          2HB       SER  44   6.672  -2.949 -10.270
  317    HG   SER  44           HG       SER  44   7.144  -1.219  -9.284
  318    H    ASN  45           H        ASN  45  10.020  -3.650  -8.222
  319    HA   ASN  45           HA       ASN  45  12.195  -3.185  -7.720
  320   1HB   ASN  45          1HB       ASN  45  12.813  -4.728  -9.592
  321   2HB   ASN  45          2HB       ASN  45  12.909  -3.287 -10.645
  322   1HD2  ASN  45          1HD2      ASN  45  15.920  -4.263  -8.089
  323   2HD2  ASN  45          2HD2      ASN  45  14.457  -5.185  -8.187
  324    H    GLY  46           H        GLY  46  10.171  -1.373  -7.901
  325   1HA   GLY  46          2HA       GLY  46   9.864   0.909  -7.757
  326   2HA   GLY  46          1HA       GLY  46  11.643   0.999  -7.673
  327    H    THR  47           H        THR  47   8.815   1.118  -9.753
  328    HA   THR  47           HA       THR  47  10.055   2.647 -11.852
  329    HB   THR  47           HB       THR  47  11.199   0.383 -12.157
  330    HG1  THR  47           HG1      THR  47  10.972   0.429 -14.124
  331   1HG2  THR  47          3HG2      THR  47   8.893  -0.841 -11.668
  332   2HG2  THR  47          2HG2      THR  47   8.720  -0.674 -13.434
  333   3HG2  THR  47          1HG2      THR  47  10.123  -1.538 -12.754
  334    H    LEU  48           H        LEU  48   7.569   0.288 -10.906
  335    HA   LEU  48           HA       LEU  48   5.531   1.201 -12.717
  336   1HB   LEU  48          1HB       LEU  48   5.242  -0.910 -11.829
  337   2HB   LEU  48          2HB       LEU  48   5.683  -0.397 -10.177
  338    HG   LEU  48           HG       LEU  48   3.184   0.750 -11.301
  339   1HD1  LEU  48          3HD1      LEU  48   3.309  -1.746 -11.957
  340   2HD1  LEU  48          1HD1      LEU  48   3.174  -2.063 -10.209
  341   3HD1  LEU  48          2HD1      LEU  48   1.880  -1.178 -11.056
  342   1HD2  LEU  48          2HD2      LEU  48   4.441  -0.022  -8.729
  343   2HD2  LEU  48          3HD2      LEU  48   3.389   1.359  -9.130
  344   3HD2  LEU  48          1HD2      LEU  48   2.677  -0.246  -8.829
  345    H    THR  49           H        THR  49   5.594   1.606  -9.166
  346    HA   THR  49           HA       THR  49   5.113   3.394  -7.818
  347    HB   THR  49           HB       THR  49   5.442   5.340 -10.124
  348    HG1  THR  49           HG1      THR  49   7.380   3.944  -8.792
  349   1HG2  THR  49          3HG2      THR  49   6.163   5.355  -7.202
  350   2HG2  THR  49          1HG2      THR  49   6.908   6.491  -8.356
  351   3HG2  THR  49          2HG2      THR  49   5.140   6.476  -8.137
  352    H    LEU  50           H        LEU  50   3.558   5.112  -7.414
  353    HA   LEU  50           HA       LEU  50   1.019   4.094  -8.351
  354   1HB   LEU  50          1HB       LEU  50   1.218   4.386  -6.059
  355   2HB   LEU  50          2HB       LEU  50   1.995   5.986  -6.223
  356    HG   LEU  50           HG       LEU  50  -0.347   6.703  -7.150
  357   1HD1  LEU  50          1HD1      LEU  50  -0.814   4.001  -6.078
  358   2HD1  LEU  50          2HD1      LEU  50  -1.901   5.250  -5.421
  359   3HD1  LEU  50          3HD1      LEU  50  -1.802   4.991  -7.181
  360   1HD2  LEU  50          3HD2      LEU  50   1.014   6.979  -4.808
  361   2HD2  LEU  50          2HD2      LEU  50  -0.568   7.723  -5.149
  362   3HD2  LEU  50          1HD2      LEU  50  -0.482   6.194  -4.238
  363    H    SER  51           H        SER  51  -0.726   5.331  -9.143
  364    HA   SER  51           HA       SER  51   0.064   7.844 -10.505
  365   1HB   SER  51          1HB       SER  51  -0.726   6.278 -12.056
  366   2HB   SER  51          2HB       SER  51  -2.124   5.827 -11.038
  367    HG   SER  51           HG       SER  51  -2.527   7.174 -12.940
  368    H    HIS  52           H        HIS  52  -2.545   6.429  -8.517
  369    HA   HIS  52           HA       HIS  52  -3.004   8.902  -7.064
  370   1HB   HIS  52          1HB       HIS  52  -5.337   9.217  -7.920
  371   2HB   HIS  52          2HB       HIS  52  -4.062   9.649  -9.095
  372    HD1  HIS  52           HD1      HIS  52  -7.170   8.586  -9.659
  373    HD2  HIS  52           HD2      HIS  52  -3.597   6.502 -10.139
  374    HE1  HIS  52           HE1      HIS  52  -7.598   6.828 -11.395
  375    HE2  HIS  52           HE2      HIS  52  -5.366   5.755 -11.882
  376    H    PHE  53           H        PHE  53  -4.859   8.721  -5.629
  377    HA   PHE  53           HA       PHE  53  -5.299   5.913  -4.867
  378   1HB   PHE  53          1HB       PHE  53  -5.821   8.466  -3.280
  379   2HB   PHE  53          2HB       PHE  53  -6.004   6.792  -2.679
  380    HD1  PHE  53           HD2      PHE  53  -3.259   8.681  -4.527
  381    HD2  PHE  53           HD1      PHE  53  -4.390   6.047  -1.378
  382    HE1  PHE  53           HE2      PHE  53  -0.974   8.834  -3.588
  383    HE2  PHE  53           HE1      PHE  53  -2.081   6.023  -0.546
  384    HZ   PHE  53           HZ       PHE  53  -0.401   7.511  -1.572
  385    H    GLY  54           H        GLY  54  -6.779   7.020  -7.084
  386   1HA   GLY  54          1HA       GLY  54  -9.579   7.058  -6.070
  387   2HA   GLY  54          2HA       GLY  54  -9.066   7.310  -7.760
  388    H    LYS  55           H        LYS  55 -10.183   5.702  -8.734
  389    HA   LYS  55           HA       LYS  55  -8.813   3.123  -8.421
  390   1HB   LYS  55          2HB       LYS  55 -11.067   2.058  -9.288
  391   2HB   LYS  55          1HB       LYS  55 -10.726   2.274  -7.548
  392   1HG   LYS  55          1HG       LYS  55 -12.226   4.075  -7.355
  393   2HG   LYS  55          2HG       LYS  55 -12.266   4.352  -9.120
  394   1HD   LYS  55          1HD       LYS  55 -13.459   2.260  -9.449
  395   2HD   LYS  55          2HD       LYS  55 -13.370   1.916  -7.743
  396   1HE   LYS  55          1HE       LYS  55 -14.592   4.507  -8.484
  397   2HE   LYS  55          2HE       LYS  55 -15.486   3.023  -8.912
  398   1HZ   LYS  55          3HZ       LYS  55 -15.200   2.363  -6.700
  399   2HZ   LYS  55          1HZ       LYS  55 -14.511   3.791  -6.336
  400   3HZ   LYS  55          2HZ       LYS  55 -16.052   3.773  -6.854
  401    H    CYS  56           H        CYS  56  -7.701   4.605 -10.022
  402    HA   CYS  56           HA       CYS  56  -6.928   4.714 -12.165
  403   1HB   CYS  56          1HB       CYS  56  -7.338   2.225 -11.346
  404   2HB   CYS  56          2HB       CYS  56  -8.478   2.214 -12.720
   
  Start of MODEL          11
 Raw file had 404 H/Q atoms
  Start of MODEL   11
    1   1H    LEU   1          1H        LEU   1  -5.997  11.581  -5.432
    2   2H    LEU   1          3H        LEU   1  -6.001  11.296  -7.041
    3   3H    LEU   1          2H        LEU   1  -4.590  11.559  -6.262
    4    HA   LEU   1           HA       LEU   1  -5.044  13.499  -7.409
    5   1HB   LEU   1          2HB       LEU   1  -7.564  12.572  -7.314
    6   2HB   LEU   1          1HB       LEU   1  -7.677  13.836  -6.056
    7    HG   LEU   1           HG       LEU   1  -8.461  14.624  -8.231
    8   1HD1  LEU   1          1HD2      LEU   1  -7.011  15.927  -6.431
    9   2HD1  LEU   1          3HD2      LEU   1  -5.860  16.035  -7.786
   10   3HD1  LEU   1          2HD2      LEU   1  -7.507  16.694  -7.962
   11   1HD2  LEU   1          2HD1      LEU   1  -5.917  13.443  -9.097
   12   2HD2  LEU   1          1HD1      LEU   1  -7.383  13.832 -10.033
   13   3HD2  LEU   1          3HD1      LEU   1  -6.175  15.099  -9.703
   14    H    ALA   2           H        ALA   2  -3.859  15.000  -6.487
   15    HA   ALA   2           HA       ALA   2  -2.945  16.425  -4.941
   16   1HB   ALA   2          2HB       ALA   2  -5.397  17.099  -5.094
   17   2HB   ALA   2          1HB       ALA   2  -5.613  16.255  -3.539
   18   3HB   ALA   2          3HB       ALA   2  -4.490  17.633  -3.657
   19    H    ALA   3           H        ALA   3  -2.858  13.468  -4.458
   20    HA   ALA   3           HA       ALA   3  -1.265  13.667  -2.170
   21   1HB   ALA   3          1HB       ALA   3  -3.718  13.708  -1.213
   22   2HB   ALA   3          2HB       ALA   3  -3.602  11.946  -1.448
   23   3HB   ALA   3          3HB       ALA   3  -2.423  12.786  -0.410
   24    H    VAL   4           H        VAL   4  -1.180  12.678  -4.812
   25    HA   VAL   4           HA       VAL   4  -1.175   9.794  -4.616
   26    HB   VAL   4           HB       VAL   4  -1.880  10.816  -6.642
   27   1HG1  VAL   4          1HG1      VAL   4   0.778  12.231  -6.624
   28   2HG1  VAL   4          2HG1      VAL   4  -0.123  11.969  -8.135
   29   3HG1  VAL   4          3HG1      VAL   4  -0.861  12.901  -6.811
   30   1HG2  VAL   4          2HG2      VAL   4   0.570   9.138  -6.682
   31   2HG2  VAL   4          1HG2      VAL   4  -1.067   8.813  -7.301
   32   3HG2  VAL   4          3HG2      VAL   4   0.043   9.854  -8.225
   33    H    SER   5           H        SER   5   0.264   9.521  -2.855
   34    HA   SER   5           HA       SER   5   2.824   8.745  -3.949
   35   1HB   SER   5          1HB       SER   5   3.254  10.249  -1.447
   36   2HB   SER   5          2HB       SER   5   4.282  10.085  -2.900
   37    HG   SER   5           HG       SER   5   2.100  11.836  -2.231
   38    H    VAL   6           H        VAL   6   3.650   7.009  -2.924
   39    HA   VAL   6           HA       VAL   6   2.535   6.247  -0.280
   40    HB   VAL   6           HB       VAL   6   2.721   4.326  -2.596
   41   1HG1  VAL   6          1HG1      VAL   6   2.571   3.553  -0.157
   42   2HG1  VAL   6          2HG1      VAL   6   0.889   4.133  -0.212
   43   3HG1  VAL   6          3HG1      VAL   6   1.427   2.856  -1.329
   44   1HG2  VAL   6          1HG2      VAL   6   0.529   6.258  -1.956
   45   2HG2  VAL   6          3HG2      VAL   6   1.165   5.716  -3.529
   46   3HG2  VAL   6          2HG2      VAL   6   0.118   4.639  -2.573
   47    H    ASP   7           H        ASP   7   4.145   6.042   1.041
   48    HA   ASP   7           HA       ASP   7   6.793   5.164   0.231
   49   1HB   ASP   7          1HB       ASP   7   6.120   6.672   2.234
   50   2HB   ASP   7          2HB       ASP   7   5.868   5.112   3.070
   51    H    CYS   8           H        CYS   8   7.351   3.209  -0.237
   52    HA   CYS   8           HA       CYS   8   6.023   0.972   1.123
   53   1HB   CYS   8          1HB       CYS   8   6.306   1.000  -1.892
   54   2HB   CYS   8          2HB       CYS   8   5.698  -0.330  -0.869
   55    H    SER   9           H        SER   9   8.546   2.353   1.347
   56    HA   SER   9           HA       SER   9  10.490   0.572   0.140
   57   1HB   SER   9          1HB       SER   9  10.537   3.132   1.634
   58   2HB   SER   9          2HB       SER   9  11.981   2.091   1.796
   59    HG   SER   9           HG       SER   9  10.631   2.821  -0.677
   60    H    GLU  10           H        GLU  10   9.474  -1.324   1.229
   61    HA   GLU  10           HA       GLU  10  10.810  -2.284   3.458
   62   1HB   GLU  10          1HB       GLU  10   9.130  -0.299   4.265
   63   2HB   GLU  10          2HB       GLU  10   8.058  -1.581   4.255
   64   1HG   GLU  10          1HG       GLU  10   9.420  -0.776   6.323
   65   2HG   GLU  10          2HG       GLU  10   8.621  -2.368   6.184
   66    OH   TYR  11           OH       TYR  11   1.950  -1.221   2.489
   67    H    TYR  11           H        TYR  11   7.806  -2.098   1.630
   68    HA   TYR  11           HA       TYR  11   6.982  -4.779   1.702
   69   1HB   TYR  11          2HB       TYR  11   7.003  -2.769  -0.575
   70   2HB   TYR  11          1HB       TYR  11   6.190  -4.357  -0.647
   71    HD1  TYR  11           HD2      TYR  11   6.178  -1.041   0.992
   72    HD2  TYR  11           HD1      TYR  11   4.053  -4.683   0.443
   73    HE1  TYR  11           HE2      TYR  11   4.206  -0.041   2.055
   74    HE2  TYR  11           HE1      TYR  11   2.088  -3.712   1.553
   75    HH   TYR  11           HH       TYR  11   1.801  -0.311   1.911
   76    HA   PRO  12           HA       PRO  12   6.108  -6.072  -0.139
   77   1HB   PRO  12          1HB       PRO  12   6.569  -8.679  -0.879
   78   2HB   PRO  12          2HB       PRO  12   6.593  -7.330  -2.048
   79   1HG   PRO  12          2HG       PRO  12   8.784  -9.026  -1.212
   80   2HG   PRO  12          1HG       PRO  12   8.799  -7.708  -2.416
   81   1HD   PRO  12          2HD       PRO  12   9.660  -7.656   0.461
   82   2HD   PRO  12          1HD       PRO  12  10.193  -6.632  -0.903
   83    H    LYS  13           H        LYS  13   4.838  -6.526   1.366
   84    HA   LYS  13           HA       LYS  13   5.839  -7.583   3.914
   85   1HB   LYS  13          2HB       LYS  13   3.491  -6.211   3.007
   86   2HB   LYS  13          1HB       LYS  13   2.993  -7.768   3.722
   87   1HG   LYS  13          1HG       LYS  13   3.137  -6.798   5.726
   88   2HG   LYS  13          2HG       LYS  13   4.908  -6.725   5.498
   89   1HD   LYS  13          1HD       LYS  13   4.245  -4.549   4.116
   90   2HD   LYS  13          2HD       LYS  13   2.850  -4.610   5.158
   91   1HE   LYS  13          2HE       LYS  13   3.938  -3.881   6.912
   92   2HE   LYS  13          1HE       LYS  13   5.280  -5.032   6.671
   93   1HZ   LYS  13          1HZ       LYS  13   5.931  -3.547   4.904
   94   2HZ   LYS  13          2HZ       LYS  13   4.874  -2.468   5.506
   95   3HZ   LYS  13          3HZ       LYS  13   6.123  -3.027   6.434
   96    HA   PRO  14           HA       PRO  14   5.144 -11.891   2.785
   97   1HB   PRO  14          1HB       PRO  14   4.827 -12.767   5.375
   98   2HB   PRO  14          2HB       PRO  14   6.388 -12.176   4.741
   99   1HG   PRO  14          1HG       PRO  14   4.727 -11.005   6.799
  100   2HG   PRO  14          2HG       PRO  14   6.305 -10.432   6.187
  101   1HD   PRO  14          1HD       PRO  14   3.540  -9.505   5.468
  102   2HD   PRO  14          2HD       PRO  14   5.086  -8.614   5.406
  103    H    ALA  15           H        ALA  15   2.704 -11.142   5.243
  104    HA   ALA  15           HA       ALA  15   0.725 -12.341   3.360
  105   1HB   ALA  15          3HB       ALA  15   1.458 -13.096   6.178
  106   2HB   ALA  15          2HB       ALA  15  -0.178 -13.402   5.541
  107   3HB   ALA  15          1HB       ALA  15   1.240 -14.126   4.741
  108    H    CYS  16           H        CYS  16  -1.131 -11.317   3.202
  109    HA   CYS  16           HA       CYS  16  -1.506  -8.966   4.975
  110   1HB   CYS  16          1HB       CYS  16  -0.895  -8.805   2.456
  111   2HB   CYS  16          2HB       CYS  16  -2.619  -9.196   2.196
  112    H    THR  17           H        THR  17  -3.667  -8.188   5.303
  113    HA   THR  17           HA       THR  17  -5.474 -10.505   5.727
  114    HB   THR  17           HB       THR  17  -5.686  -7.905   7.284
  115    HG1  THR  17           HG1      THR  17  -4.007 -10.021   7.708
  116   1HG2  THR  17          3HG2      THR  17  -6.402 -10.769   7.788
  117   2HG2  THR  17          1HG2      THR  17  -6.089  -9.676   9.160
  118   3HG2  THR  17          2HG2      THR  17  -7.364  -9.280   7.981
  119    H    LEU  18           H        LEU  18  -7.436 -10.547   4.914
  120    HA   LEU  18           HA       LEU  18  -8.199  -8.265   3.206
  121   1HB   LEU  18          1HB       LEU  18  -7.875 -10.964   2.792
  122   2HB   LEU  18          2HB       LEU  18  -9.647 -10.812   2.964
  123    HG   LEU  18           HG       LEU  18  -8.846 -10.759   0.619
  124   1HD1  LEU  18          2HD2      LEU  18 -10.422  -8.660   2.006
  125   2HD1  LEU  18          1HD2      LEU  18  -9.970  -8.319   0.315
  126   3HD1  LEU  18          3HD2      LEU  18 -10.894  -9.790   0.712
  127   1HD2  LEU  18          1HD1      LEU  18  -6.776  -9.309   1.413
  128   2HD2  LEU  18          2HD1      LEU  18  -7.469  -9.122  -0.218
  129   3HD2  LEU  18          3HD1      LEU  18  -7.885  -7.958   1.065
  130   1H    GLU  19          1H        GLU  19  -5.812  -4.252   3.398
  131   2H    GLU  19          2H        GLU  19  -6.353  -4.773   4.849
  132   3H    GLU  19          3H        GLU  19  -6.673  -5.637   3.500
  133    HA   GLU  19           HA       GLU  19  -8.661  -4.600   3.922
  134   1HB   GLU  19          1HB       GLU  19  -6.796  -2.304   4.511
  135   2HB   GLU  19          2HB       GLU  19  -8.413  -2.053   4.167
  136   1HG   GLU  19          1HG       GLU  19  -7.404  -2.248   6.556
  137   2HG   GLU  19          2HG       GLU  19  -9.138  -2.424   6.167
  138    OH   TYR  20           OH       TYR  20 -11.346  -1.830  -5.516
  139    H    TYR  20           H        TYR  20  -9.894  -3.842   2.247
  140    HA   TYR  20           HA       TYR  20  -8.668  -3.793  -0.354
  141   1HB   TYR  20          1HB       TYR  20 -10.960  -4.612  -0.036
  142   2HB   TYR  20          2HB       TYR  20 -11.466  -2.991   0.528
  143    HD1  TYR  20           HD2      TYR  20 -10.294  -4.907  -2.422
  144    HD2  TYR  20           HD1      TYR  20 -11.842  -1.191  -1.052
  145    HE1  TYR  20           HE2      TYR  20 -10.423  -4.114  -4.741
  146    HE2  TYR  20           HE1      TYR  20 -11.894  -0.356  -3.363
  147    HH   TYR  20           HH       TYR  20 -10.385  -1.343  -5.674
  148    NH1  ARG  21           NH1      ARG  21  -4.838   3.692   1.412
  149    NH2  ARG  21           NH2      ARG  21  -6.239   5.209   0.404
  150    H    ARG  21           H        ARG  21  -8.901  -2.045  -1.898
  151    HA   ARG  21           HA       ARG  21 -10.382   0.184  -1.402
  152   1HB   ARG  21          1HB       ARG  21  -8.577   2.012  -1.386
  153   2HB   ARG  21          2HB       ARG  21  -8.991   1.188   0.147
  154   1HG   ARG  21          1HG       ARG  21  -6.961  -0.324  -0.350
  155   2HG   ARG  21          2HG       ARG  21  -6.498   0.925  -1.541
  156   1HD   ARG  21          1HD       ARG  21  -6.849   1.203   1.436
  157   2HD   ARG  21          2HD       ARG  21  -5.369   1.430   0.462
  158    HE   ARG  21           HE       ARG  21  -7.654   3.225  -0.055
  159   1HH1  ARG  21          2HH1      ARG  21  -4.611   2.751   1.661
  160   2HH1  ARG  21          1HH1      ARG  21  -4.240   4.441   1.693
  161   1HH2  ARG  21          2HH2      ARG  21  -7.072   5.415  -0.108
  162   2HH2  ARG  21          1HH2      ARG  21  -5.630   5.950   0.689
  163    HA   PRO  22           HA       PRO  22  -8.972   0.697  -5.751
  164   1HB   PRO  22          1HB       PRO  22 -10.937   2.473  -6.281
  165   2HB   PRO  22          2HB       PRO  22 -11.337   0.847  -5.657
  166   1HG   PRO  22          1HG       PRO  22 -11.582   3.467  -4.326
  167   2HG   PRO  22          2HG       PRO  22 -12.304   1.894  -3.881
  168   1HD   PRO  22          1HD       PRO  22  -9.837   3.194  -2.852
  169   2HD   PRO  22          2HD       PRO  22 -10.800   1.872  -2.142
  170    H    LEU  23           H        LEU  23  -6.870   1.168  -5.551
  171    HA   LEU  23           HA       LEU  23  -6.247   4.049  -5.961
  172   1HB   LEU  23          1HB       LEU  23  -4.263   1.804  -6.091
  173   2HB   LEU  23          2HB       LEU  23  -4.018   3.514  -5.654
  174    HG   LEU  23           HG       LEU  23  -5.736   2.102  -3.748
  175   1HD1  LEU  23          2HD1      LEU  23  -3.125   0.902  -4.559
  176   2HD1  LEU  23          3HD1      LEU  23  -3.492   1.008  -2.818
  177   3HD1  LEU  23          1HD1      LEU  23  -4.598   0.135  -3.910
  178   1HD2  LEU  23          2HD2      LEU  23  -4.242   4.324  -3.745
  179   2HD2  LEU  23          1HD2      LEU  23  -4.613   3.408  -2.262
  180   3HD2  LEU  23          3HD2      LEU  23  -3.043   3.190  -3.076
  181    H    CYS  24           H        CYS  24  -4.341   3.943  -7.813
  182    HA   CYS  24           HA       CYS  24  -4.774   1.850  -9.719
  183   1HB   CYS  24          1HB       CYS  24  -6.372   3.596 -10.543
  184   2HB   CYS  24          2HB       CYS  24  -4.969   4.667 -10.807
  185    H    GLY  25           H        GLY  25  -2.911   1.392 -10.823
  186   1HA   GLY  25          2HA       GLY  25  -0.494   2.487  -9.504
  187   2HA   GLY  25          1HA       GLY  25  -0.580   1.028 -10.524
  188    H    SER  26           H        SER  26   1.407   2.327 -11.307
  189    HA   SER  26           HA       SER  26   0.595   4.090 -13.550
  190   1HB   SER  26          2HB       SER  26   2.671   4.412 -11.883
  191   2HB   SER  26          1HB       SER  26   3.451   3.400 -13.134
  192    HG   SER  26           HG       SER  26   2.469   6.046 -13.131
  193    H    ASP  27           H        ASP  27   0.048   1.161 -13.275
  194    HA   ASP  27           HA       ASP  27   1.658   0.183 -15.561
  195   1HB   ASP  27          1HB       ASP  27   1.776  -1.942 -14.527
  196   2HB   ASP  27          2HB       ASP  27   2.282  -0.693 -13.352
  197    H    ASN  28           H        ASN  28  -1.069   1.464 -15.490
  198    HA   ASN  28           HA       ASN  28  -3.136   1.200 -16.369
  199   1HB   ASN  28          2HB       ASN  28  -2.098  -1.182 -17.866
  200   2HB   ASN  28          1HB       ASN  28  -3.269   0.073 -18.370
  201   1HD2  ASN  28          1HD2      ASN  28  -0.365   2.505 -18.475
  202   2HD2  ASN  28          2HD2      ASN  28  -1.673   2.301 -17.356
  203    H    LYS  29           H        LYS  29  -2.444  -0.279 -13.882
  204    HA   LYS  29           HA       LYS  29  -4.896  -1.987 -13.941
  205   1HB   LYS  29          1HB       LYS  29  -2.708  -2.467 -11.961
  206   2HB   LYS  29          2HB       LYS  29  -3.860  -3.606 -12.713
  207   1HG   LYS  29          2HG       LYS  29  -1.542  -2.324 -14.203
  208   2HG   LYS  29          1HG       LYS  29  -1.441  -3.908 -13.383
  209   1HD   LYS  29          1HD       LYS  29  -3.761  -3.916 -15.027
  210   2HD   LYS  29          2HD       LYS  29  -2.492  -3.175 -15.962
  211   1HE   LYS  29          1HE       LYS  29  -1.389  -5.452 -14.653
  212   2HE   LYS  29          2HE       LYS  29  -2.926  -5.910 -15.437
  213   1HZ   LYS  29          3HZ       LYS  29  -2.072  -4.754 -17.329
  214   2HZ   LYS  29          1HZ       LYS  29  -0.622  -4.688 -16.594
  215   3HZ   LYS  29          2HZ       LYS  29  -1.279  -6.142 -16.905
  216    H    THR  30           H        THR  30  -6.343  -1.770 -12.356
  217    HA   THR  30           HA       THR  30  -5.996   0.296 -10.284
  218    HB   THR  30           HB       THR  30  -8.305  -1.694 -10.389
  219    HG1  THR  30           HG1      THR  30  -8.134  -1.154 -12.203
  220   1HG2  THR  30          2HG2      THR  30  -8.132  -0.096  -8.486
  221   2HG2  THR  30          3HG2      THR  30  -8.274   1.244  -9.654
  222   3HG2  THR  30          1HG2      THR  30  -9.616   0.088  -9.455
  223    OH   TYR  31           OH       TYR  31   0.246  -3.340 -10.091
  224    H    TYR  31           H        TYR  31  -5.733  -0.123  -8.137
  225    HA   TYR  31           HA       TYR  31  -4.968  -2.918  -7.462
  226   1HB   TYR  31          1HB       TYR  31  -3.845  -0.219  -6.742
  227   2HB   TYR  31          2HB       TYR  31  -3.632  -1.598  -5.625
  228    HD1  TYR  31           HD2      TYR  31  -2.677  -3.775  -6.712
  229    HD2  TYR  31           HD1      TYR  31  -2.302   0.064  -8.503
  230    HE1  TYR  31           HE2      TYR  31  -0.932  -4.649  -8.201
  231    HE2  TYR  31           HE1      TYR  31  -0.556  -0.799 -10.002
  232    HH   TYR  31           HH       TYR  31  -0.312  -4.160 -10.539
  233    H    GLY  32           H        GLY  32  -5.937  -3.948  -5.883
  234   1HA   GLY  32          1HA       GLY  32  -8.106  -2.893  -4.306
  235   2HA   GLY  32          2HA       GLY  32  -7.223  -4.415  -4.022
  236    H    ASN  33           H        ASN  33  -5.284  -4.380  -2.802
  237    HA   ASN  33           HA       ASN  33  -5.514  -2.252  -0.757
  238   1HB   ASN  33          2HB       ASN  33  -4.658  -3.844   0.852
  239   2HB   ASN  33          1HB       ASN  33  -6.150  -4.413   0.050
  240   1HD2  ASN  33          1HD2      ASN  33  -4.100  -7.392   0.236
  241   2HD2  ASN  33          2HD2      ASN  33  -4.731  -6.264   1.392
  242    H    LYS  34           H        LYS  34  -3.627  -1.578   0.393
  243    HA   LYS  34           HA       LYS  34  -1.600  -0.681  -1.364
  244   1HB   LYS  34          1HB       LYS  34  -2.365   0.118   1.053
  245   2HB   LYS  34          2HB       LYS  34  -1.009  -0.930   1.557
  246   1HG   LYS  34          1HG       LYS  34   0.581   0.452   0.657
  247   2HG   LYS  34          2HG       LYS  34  -0.496   1.025  -0.649
  248   1HD   LYS  34          1HD       LYS  34  -0.004   2.833   0.849
  249   2HD   LYS  34          2HD       LYS  34  -1.698   2.423   0.865
  250   1HE   LYS  34          1HE       LYS  34  -0.652   0.863   2.901
  251   2HE   LYS  34          2HE       LYS  34   0.234   2.408   3.013
  252   1HZ   LYS  34          2HZ       LYS  34  -2.594   2.230   2.748
  253   2HZ   LYS  34          3HZ       LYS  34  -1.800   2.241   4.199
  254   3HZ   LYS  34          1HZ       LYS  34  -1.686   3.506   3.184
  255    H    CYS  35           H        CYS  35  -1.964  -3.636   0.426
  256    HA   CYS  35           HA       CYS  35   0.680  -4.565   0.333
  257   1HB   CYS  35          1HB       CYS  35  -1.978  -5.988   0.229
  258   2HB   CYS  35          2HB       CYS  35  -0.414  -6.855   0.233
  259    H    ASN  36           H        ASN  36  -1.913  -4.768  -2.106
  260    HA   ASN  36           HA       ASN  36  -0.172  -6.332  -3.832
  261   1HB   ASN  36          1HB       ASN  36  -3.076  -5.647  -3.823
  262   2HB   ASN  36          2HB       ASN  36  -2.299  -6.209  -5.331
  263   1HD2  ASN  36          1HD2      ASN  36  -2.389  -8.769  -2.069
  264   2HD2  ASN  36          2HD2      ASN  36  -2.154  -7.070  -1.834
  265    H    PHE  37           H        PHE  37  -1.150  -3.043  -3.496
  266    HA   PHE  37           HA       PHE  37  -0.162  -2.085  -6.042
  267   1HB   PHE  37          1HB       PHE  37  -1.529  -0.611  -4.629
  268   2HB   PHE  37          2HB       PHE  37  -0.315  -0.705  -3.322
  269    HD1  PHE  37           HD1      PHE  37  -0.328  -0.070  -6.972
  270    HD2  PHE  37           HD2      PHE  37   0.942   1.318  -3.151
  271    HE1  PHE  37           HE1      PHE  37   0.926   1.737  -8.063
  272    HE2  PHE  37           HE2      PHE  37   2.384   3.012  -4.240
  273    HZ   PHE  37           HZ       PHE  37   2.452   3.137  -6.716
  274    H    CYS  38           H        CYS  38   1.275  -1.857  -2.767
  275    HA   CYS  38           HA       CYS  38   3.761  -1.088  -3.713
  276   1HB   CYS  38          1HB       CYS  38   3.146  -2.486  -1.097
  277   2HB   CYS  38          2HB       CYS  38   4.623  -1.560  -1.482
  278    H    ASN  39           H        ASN  39   2.423  -4.275  -3.498
  279    HA   ASN  39           HA       ASN  39   5.002  -5.666  -3.544
  280   1HB   ASN  39          1HB       ASN  39   2.145  -6.573  -3.703
  281   2HB   ASN  39          2HB       ASN  39   3.503  -7.647  -4.145
  282   1HD2  ASN  39          1HD2      ASN  39   2.408  -7.798  -0.456
  283   2HD2  ASN  39          2HD2      ASN  39   1.573  -7.953  -1.966
  284    H    ALA  40           H        ALA  40   2.518  -4.465  -5.723
  285    HA   ALA  40           HA       ALA  40   3.706  -5.452  -8.123
  286   1HB   ALA  40          2HB       ALA  40   1.361  -4.426  -7.668
  287   2HB   ALA  40          1HB       ALA  40   2.172  -2.873  -7.992
  288   3HB   ALA  40          3HB       ALA  40   2.163  -4.149  -9.235
  289    H    VAL  41           H        VAL  41   4.474  -2.830  -5.976
  290    HA   VAL  41           HA       VAL  41   6.235  -1.535  -7.859
  291    HB   VAL  41           HB       VAL  41   6.049  -1.208  -4.857
  292   1HG1  VAL  41          1HG1      VAL  41   7.411   0.371  -7.015
  293   2HG1  VAL  41          2HG1      VAL  41   6.790   1.191  -5.562
  294   3HG1  VAL  41          3HG1      VAL  41   7.999  -0.106  -5.403
  295   1HG2  VAL  41          3HG2      VAL  41   3.966  -0.835  -6.507
  296   2HG2  VAL  41          1HG2      VAL  41   4.264   0.156  -5.059
  297   3HG2  VAL  41          2HG2      VAL  41   4.754   0.753  -6.661
  298    H    VAL  42           H        VAL  42   6.786  -3.480  -4.902
  299    HA   VAL  42           HA       VAL  42   9.589  -3.338  -5.137
  300    HB   VAL  42           HB       VAL  42   9.543  -5.225  -3.446
  301   1HG1  VAL  42          1HG1      VAL  42   8.375  -2.511  -3.103
  302   2HG1  VAL  42          3HG1      VAL  42   8.196  -3.659  -1.755
  303   3HG1  VAL  42          2HG1      VAL  42   9.817  -3.252  -2.368
  304   1HG2  VAL  42          1HG2      VAL  42   6.747  -5.260  -4.238
  305   2HG2  VAL  42          3HG2      VAL  42   7.699  -6.447  -3.315
  306   3HG2  VAL  42          2HG2      VAL  42   6.949  -5.064  -2.481
  307    H    GLU  43           H        GLU  43   7.281  -5.812  -6.202
  308    HA   GLU  43           HA       GLU  43   9.186  -7.527  -7.443
  309   1HB   GLU  43          1HB       GLU  43   6.294  -6.843  -7.961
  310   2HB   GLU  43          2HB       GLU  43   7.143  -7.905  -8.936
  311   1HG   GLU  43          1HG       GLU  43   5.875  -9.180  -7.665
  312   2HG   GLU  43          2HG       GLU  43   7.536  -9.436  -7.062
  313    H    SER  44           H        SER  44   7.766  -4.449  -8.357
  314    HA   SER  44           HA       SER  44   8.390  -4.524 -11.161
  315   1HB   SER  44          2HB       SER  44   7.299  -2.630  -9.276
  316   2HB   SER  44          1HB       SER  44   8.552  -1.862 -10.291
  317    HG   SER  44           HG       SER  44   5.971  -2.641 -10.817
  318    H    ASN  45           H        ASN  45  10.182  -3.819  -8.224
  319    HA   ASN  45           HA       ASN  45  12.386  -3.388  -7.840
  320   1HB   ASN  45          1HB       ASN  45  12.586  -4.789 -10.213
  321   2HB   ASN  45          2HB       ASN  45  13.450  -3.259 -10.531
  322   1HD2  ASN  45          1HD2      ASN  45  15.803  -5.806  -9.103
  323   2HD2  ASN  45          2HD2      ASN  45  14.726  -5.775 -10.460
  324    H    GLY  46           H        GLY  46  10.462  -1.520  -7.903
  325   1HA   GLY  46          2HA       GLY  46  10.355   0.775  -7.645
  326   2HA   GLY  46          1HA       GLY  46  12.108   0.851  -7.958
  327    H    THR  47           H        THR  47  10.135  -0.812 -10.282
  328    HA   THR  47           HA       THR  47  10.177   1.326 -12.281
  329    HB   THR  47           HB       THR  47   8.771  -1.394 -12.119
  330    HG1  THR  47           HG1      THR  47  10.659  -1.481 -12.382
  331   1HG2  THR  47          2HG2      THR  47   8.379   0.805 -14.118
  332   2HG2  THR  47          3HG2      THR  47   8.359  -0.895 -14.653
  333   3HG2  THR  47          1HG2      THR  47   7.199  -0.335 -13.422
  334    H    LEU  48           H        LEU  48   7.344  -0.445 -11.098
  335    HA   LEU  48           HA       LEU  48   5.668   1.653 -11.877
  336   1HB   LEU  48          1HB       LEU  48   4.797  -0.482 -11.914
  337   2HB   LEU  48          2HB       LEU  48   5.374  -0.866 -10.267
  338    HG   LEU  48           HG       LEU  48   3.205   1.173 -10.656
  339   1HD1  LEU  48          1HD1      LEU  48   2.959  -1.371 -11.712
  340   2HD1  LEU  48          2HD1      LEU  48   2.290  -1.551 -10.071
  341   3HD1  LEU  48          3HD1      LEU  48   1.619  -0.326 -11.177
  342   1HD2  LEU  48          3HD2      LEU  48   4.594   0.327  -8.506
  343   2HD2  LEU  48          2HD2      LEU  48   2.895   0.858  -8.428
  344   3HD2  LEU  48          1HD2      LEU  48   3.282  -0.879  -8.505
  345    H    THR  49           H        THR  49   4.352   3.086 -10.751
  346    HA   THR  49           HA       THR  49   4.677   3.284  -7.867
  347    HB   THR  49           HB       THR  49   4.920   5.782  -7.849
  348    HG1  THR  49           HG1      THR  49   4.148   6.198  -9.534
  349   1HG2  THR  49          1HG2      THR  49   6.953   4.375  -7.602
  350   2HG2  THR  49          2HG2      THR  49   7.224   4.523  -9.358
  351   3HG2  THR  49          3HG2      THR  49   7.271   5.974  -8.323
  352    H    LEU  50           H        LEU  50   3.141   5.431  -7.339
  353    HA   LEU  50           HA       LEU  50   0.541   4.349  -8.148
  354   1HB   LEU  50          1HB       LEU  50   0.805   4.625  -5.851
  355   2HB   LEU  50          2HB       LEU  50   1.563   6.233  -6.028
  356    HG   LEU  50           HG       LEU  50  -0.805   6.909  -6.937
  357   1HD1  LEU  50          1HD1      LEU  50  -1.289   4.238  -6.341
  358   2HD1  LEU  50          3HD1      LEU  50  -1.949   5.113  -4.937
  359   3HD1  LEU  50          2HD1      LEU  50  -2.512   5.510  -6.579
  360   1HD2  LEU  50          1HD2      LEU  50   0.601   7.322  -4.692
  361   2HD2  LEU  50          3HD2      LEU  50  -1.063   7.922  -4.911
  362   3HD2  LEU  50          2HD2      LEU  50  -0.770   6.421  -3.996
  363    H    SER  51           H        SER  51  -0.664   5.133  -9.689
  364    HA   SER  51           HA       SER  51  -0.236   7.705 -10.849
  365   1HB   SER  51          1HB       SER  51  -1.093   5.819 -12.117
  366   2HB   SER  51          2HB       SER  51  -2.592   5.817 -11.145
  367    HG   SER  51           HG       SER  51  -3.040   7.957 -11.785
  368    H    HIS  52           H        HIS  52  -2.648   6.433  -8.563
  369    HA   HIS  52           HA       HIS  52  -2.959   8.883  -7.148
  370   1HB   HIS  52          1HB       HIS  52  -5.289   9.444  -7.864
  371   2HB   HIS  52          2HB       HIS  52  -4.043   9.819  -9.090
  372    HD1  HIS  52           HD1      HIS  52  -7.307   8.913  -9.369
  373    HD2  HIS  52           HD2      HIS  52  -3.891   6.732 -10.322
  374    HE1  HIS  52           HE1      HIS  52  -8.015   7.159 -11.016
  375    HE2  HIS  52           HE2      HIS  52  -5.892   6.057 -11.827
  376    H    PHE  53           H        PHE  53  -4.748   8.807  -5.638
  377    HA   PHE  53           HA       PHE  53  -5.932   6.099  -5.277
  378   1HB   PHE  53          1HB       PHE  53  -6.194   8.359  -3.263
  379   2HB   PHE  53          2HB       PHE  53  -6.523   6.615  -3.046
  380    HD1  PHE  53           HD2      PHE  53  -3.541   8.755  -4.061
  381    HD2  PHE  53           HD1      PHE  53  -5.087   5.469  -1.837
  382    HE1  PHE  53           HE2      PHE  53  -1.386   8.564  -2.860
  383    HE2  PHE  53           HE1      PHE  53  -2.930   5.199  -0.698
  384    HZ   PHE  53           HZ       PHE  53  -1.104   6.795  -1.147
  385    H    GLY  54           H        GLY  54  -7.230   6.486  -7.141
  386   1HA   GLY  54          2HA       GLY  54  -9.623   8.110  -6.652
  387   2HA   GLY  54          1HA       GLY  54  -8.596   8.681  -7.992
  388    H    LYS  55           H        LYS  55  -8.659   5.285  -7.216
  389    HA   LYS  55           HA       LYS  55  -9.560   3.430  -8.252
  390   1HB   LYS  55          1HB       LYS  55 -11.932   5.218  -8.808
  391   2HB   LYS  55          2HB       LYS  55 -11.897   3.479  -8.402
  392   1HG   LYS  55          2HG       LYS  55 -10.860   4.365  -6.129
  393   2HG   LYS  55          1HG       LYS  55 -11.668   5.885  -6.608
  394   1HD   LYS  55          1HD       LYS  55 -13.728   4.305  -6.972
  395   2HD   LYS  55          2HD       LYS  55 -12.826   3.186  -5.987
  396   1HE   LYS  55          1HE       LYS  55 -13.825   4.143  -4.260
  397   2HE   LYS  55          2HE       LYS  55 -12.601   5.421  -4.489
  398   1HZ   LYS  55          2HZ       LYS  55 -15.113   5.397  -5.826
  399   2HZ   LYS  55          3HZ       LYS  55 -14.863   6.094  -4.347
  400   3HZ   LYS  55          1HZ       LYS  55 -14.054   6.619  -5.656
  401    H    CYS  56           H        CYS  56  -7.963   5.026  -9.995
  402    HA   CYS  56           HA       CYS  56  -7.301   4.831 -12.163
  403   1HB   CYS  56          1HB       CYS  56  -8.019   2.490 -11.063
  404   2HB   CYS  56          2HB       CYS  56  -9.132   2.493 -12.458
   
  Start of MODEL          12
 Raw file had 404 H/Q atoms
  Start of MODEL   12
    1   1H    LEU   1          1H        LEU   1   6.219  19.222  -0.565
    2   2H    LEU   1          3H        LEU   1   6.065  20.779  -1.031
    3   3H    LEU   1          2H        LEU   1   7.227  20.358   0.037
    4    HA   LEU   1           HA       LEU   1   5.766  19.933   1.739
    5   1HB   LEU   1          2HB       LEU   1   4.669  22.367   0.321
    6   2HB   LEU   1          1HB       LEU   1   4.878  22.093   2.073
    7    HG   LEU   1           HG       LEU   1   7.442  21.984   1.340
    8   1HD1  LEU   1          3HD2      LEU   1   5.961  23.522  -0.791
    9   2HD1  LEU   1          1HD2      LEU   1   7.643  23.927  -0.361
   10   3HD1  LEU   1          2HD2      LEU   1   7.246  22.300  -0.968
   11   1HD2  LEU   1          2HD1      LEU   1   5.988  23.627   2.837
   12   2HD2  LEU   1          3HD1      LEU   1   7.649  24.039   2.338
   13   3HD2  LEU   1          1HD1      LEU   1   6.258  24.728   1.462
   14    H    ALA   2           H        ALA   2   4.392  19.951  -1.449
   15    HA   ALA   2           HA       ALA   2   2.054  18.479  -0.345
   16   1HB   ALA   2          3HB       ALA   2   2.017  20.809  -2.028
   17   2HB   ALA   2          1HB       ALA   2   1.368  19.409  -2.918
   18   3HB   ALA   2          2HB       ALA   2   0.661  19.872  -1.349
   19    H    ALA   3           H        ALA   3   1.451  16.651  -1.493
   20    HA   ALA   3           HA       ALA   3   2.686  15.657  -3.799
   21   1HB   ALA   3          3HB       ALA   3   4.183  15.081  -1.251
   22   2HB   ALA   3          2HB       ALA   3   4.186  13.930  -2.611
   23   3HB   ALA   3          1HB       ALA   3   4.801  15.586  -2.845
   24    H    VAL   4           H        VAL   4   0.805  14.721  -4.268
   25    HA   VAL   4           HA       VAL   4  -0.469  12.786  -2.476
   26    HB   VAL   4           HB       VAL   4  -1.896  14.022  -3.921
   27   1HG1  VAL   4          3HG1      VAL   4   0.157  13.699  -5.884
   28   2HG1  VAL   4          1HG1      VAL   4  -1.370  13.056  -6.534
   29   3HG1  VAL   4          2HG1      VAL   4  -1.294  14.728  -5.929
   30   1HG2  VAL   4          2HG2      VAL   4  -1.618  11.125  -4.714
   31   2HG2  VAL   4          3HG2      VAL   4  -2.718  11.854  -3.520
   32   3HG2  VAL   4          1HG2      VAL   4  -2.964  12.155  -5.257
   33    H    SER   5           H        SER   5   0.899  11.209  -1.964
   34    HA   SER   5           HA       SER   5   1.862   9.354  -4.002
   35   1HB   SER   5          1HB       SER   5   4.268   9.757  -3.171
   36   2HB   SER   5          2HB       SER   5   3.580  10.847  -4.409
   37    HG   SER   5           HG       SER   5   4.849  11.768  -2.597
   38    H    VAL   6           H        VAL   6   3.693   7.965  -2.760
   39    HA   VAL   6           HA       VAL   6   2.432   7.165  -0.190
   40    HB   VAL   6           HB       VAL   6   2.730   4.780  -1.192
   41   1HG1  VAL   6          3HG1      VAL   6   0.567   6.484  -0.880
   42   2HG1  VAL   6          1HG1      VAL   6   0.400   5.883  -2.547
   43   3HG1  VAL   6          2HG1      VAL   6   0.509   4.733  -1.193
   44   1HG2  VAL   6          1HG2      VAL   6   3.620   6.174  -3.391
   45   2HG2  VAL   6          3HG2      VAL   6   3.061   4.484  -3.371
   46   3HG2  VAL   6          2HG2      VAL   6   1.935   5.789  -3.817
   47    H    ASP   7           H        ASP   7   3.751   4.927   0.385
   48    HA   ASP   7           HA       ASP   7   6.614   5.527   0.403
   49   1HB   ASP   7          1HB       ASP   7   5.528   7.105   2.010
   50   2HB   ASP   7          2HB       ASP   7   5.097   5.680   3.000
   51    H    CYS   8           H        CYS   8   6.113   3.420  -0.718
   52    HA   CYS   8           HA       CYS   8   5.631   1.222   1.187
   53   1HB   CYS   8          1HB       CYS   8   5.837   1.155  -1.834
   54   2HB   CYS   8          2HB       CYS   8   5.315  -0.167  -0.753
   55    H    SER   9           H        SER   9   8.131   2.760   1.172
   56    HA   SER   9           HA       SER   9  10.092   0.946   0.050
   57   1HB   SER   9          1HB       SER   9  10.912   3.083   1.955
   58   2HB   SER   9          2HB       SER   9  11.627   2.579   0.397
   59    HG   SER   9           HG       SER   9  10.599   4.001  -0.632
   60    H    GLU  10           H        GLU  10   9.228  -0.905   1.291
   61    HA   GLU  10           HA       GLU  10  10.604  -1.619   3.596
   62   1HB   GLU  10          1HB       GLU  10   8.829   0.344   4.231
   63   2HB   GLU  10          2HB       GLU  10   7.812  -0.979   4.309
   64   1HG   GLU  10          1HG       GLU  10   8.177  -0.919   6.360
   65   2HG   GLU  10          2HG       GLU  10   9.591  -1.944   5.983
   66    OH   TYR  11           OH       TYR  11   1.595  -1.313   2.482
   67    H    TYR  11           H        TYR  11   7.595  -1.721   1.762
   68    HA   TYR  11           HA       TYR  11   6.960  -4.459   1.968
   69   1HB   TYR  11          2HB       TYR  11   6.842  -2.529  -0.374
   70   2HB   TYR  11          1HB       TYR  11   6.171  -4.184  -0.413
   71    HD1  TYR  11           HD2      TYR  11   5.834  -0.829   1.090
   72    HD2  TYR  11           HD1      TYR  11   4.068  -4.679   0.708
   73    HE1  TYR  11           HE2      TYR  11   3.774   0.024   2.115
   74    HE2  TYR  11           HE1      TYR  11   1.929  -3.779   1.526
   75    HH   TYR  11           HH       TYR  11   0.898  -1.311   1.647
   76    HA   PRO  12           HA       PRO  12   6.220  -5.871   0.107
   77   1HB   PRO  12          1HB       PRO  12   6.900  -8.467  -0.502
   78   2HB   PRO  12          2HB       PRO  12   6.863  -7.165  -1.724
   79   1HG   PRO  12          2HG       PRO  12   9.144  -8.657  -0.766
   80   2HG   PRO  12          1HG       PRO  12   9.105  -7.368  -2.001
   81   1HD   PRO  12          1HD       PRO  12   9.827  -7.188   0.914
   82   2HD   PRO  12          2HD       PRO  12  10.371  -6.175  -0.454
   83    H    LYS  13           H        LYS  13   4.916  -6.402   1.575
   84    HA   LYS  13           HA       LYS  13   6.007  -6.633   4.278
   85   1HB   LYS  13          2HB       LYS  13   3.341  -6.247   3.034
   86   2HB   LYS  13          1HB       LYS  13   3.366  -7.178   4.559
   87   1HG   LYS  13          1HG       LYS  13   3.860  -5.357   5.813
   88   2HG   LYS  13          2HG       LYS  13   4.962  -4.679   4.580
   89   1HD   LYS  13          2HD       LYS  13   3.458  -3.287   3.864
   90   2HD   LYS  13          1HD       LYS  13   2.314  -4.564   3.552
   91   1HE   LYS  13          1HE       LYS  13   2.030  -4.389   6.216
   92   2HE   LYS  13          2HE       LYS  13   2.602  -2.736   5.867
   93   1HZ   LYS  13          1HZ       LYS  13   0.915  -2.736   4.178
   94   2HZ   LYS  13          2HZ       LYS  13   0.326  -4.101   4.836
   95   3HZ   LYS  13          3HZ       LYS  13   0.411  -2.708   5.724
   96    HA   PRO  14           HA       PRO  14   5.823 -11.146   4.467
   97   1HB   PRO  14          1HB       PRO  14   5.396 -11.281   7.186
   98   2HB   PRO  14          2HB       PRO  14   6.942 -10.742   6.474
   99   1HG   PRO  14          1HG       PRO  14   5.058  -9.206   8.035
  100   2HG   PRO  14          2HG       PRO  14   6.615  -8.675   7.342
  101   1HD   PRO  14          1HD       PRO  14   3.832  -8.283   6.278
  102   2HD   PRO  14          2HD       PRO  14   5.292  -7.287   6.024
  103    H    ALA  15           H        ALA  15   3.144  -9.968   6.470
  104    HA   ALA  15           HA       ALA  15   1.392 -11.653   4.739
  105   1HB   ALA  15          1HB       ALA  15   1.583 -11.325   7.726
  106   2HB   ALA  15          2HB       ALA  15   0.079 -11.875   6.944
  107   3HB   ALA  15          3HB       ALA  15   1.583 -12.812   6.744
  108    H    CYS  16           H        CYS  16   0.112 -10.428   3.583
  109    HA   CYS  16           HA       CYS  16  -0.974  -7.864   4.396
  110   1HB   CYS  16          1HB       CYS  16  -2.003  -9.853   2.355
  111   2HB   CYS  16          2HB       CYS  16  -2.509  -8.151   2.550
  112    H    THR  17           H        THR  17  -3.685  -8.227   3.960
  113    HA   THR  17           HA       THR  17  -4.671 -10.483   5.448
  114    HB   THR  17           HB       THR  17  -3.985  -8.789   7.278
  115    HG1  THR  17           HG1      THR  17  -6.595  -9.545   6.975
  116   1HG2  THR  17          3HG2      THR  17  -5.830  -7.094   5.837
  117   2HG2  THR  17          2HG2      THR  17  -6.348  -7.322   7.526
  118   3HG2  THR  17          1HG2      THR  17  -4.709  -6.720   7.171
  119    H    LEU  18           H        LEU  18  -5.002  -9.892   2.876
  120    HA   LEU  18           HA       LEU  18  -7.552  -8.559   2.376
  121   1HB   LEU  18          1HB       LEU  18  -5.389  -9.285   0.876
  122   2HB   LEU  18          2HB       LEU  18  -6.541 -10.597   0.495
  123    HG   LEU  18           HG       LEU  18  -6.705  -8.903  -1.186
  124   1HD1  LEU  18          1HD2      LEU  18  -8.750 -10.043  -0.295
  125   2HD1  LEU  18          3HD2      LEU  18  -9.036  -8.617   0.735
  126   3HD1  LEU  18          2HD2      LEU  18  -9.066  -8.455  -1.040
  127   1HD2  LEU  18          1HD1      LEU  18  -5.847  -7.078   0.433
  128   2HD2  LEU  18          2HD1      LEU  18  -7.060  -6.624  -0.791
  129   3HD2  LEU  18          3HD1      LEU  18  -7.557  -6.896   0.899
  130   1H    GLU  19          1H        GLU  19  -5.534  -5.100   3.632
  131   2H    GLU  19          2H        GLU  19  -5.737  -3.805   4.605
  132   3H    GLU  19          3H        GLU  19  -5.967  -5.311   5.193
  133    HA   GLU  19           HA       GLU  19  -7.940  -5.646   4.134
  134   1HB   GLU  19          1HB       GLU  19  -9.229  -3.887   4.907
  135   2HB   GLU  19          2HB       GLU  19  -7.928  -4.105   5.935
  136   1HG   GLU  19          1HG       GLU  19  -7.743  -1.979   3.970
  137   2HG   GLU  19          2HG       GLU  19  -8.733  -1.741   5.437
  138    OH   TYR  20           OH       TYR  20 -11.042  -2.339  -5.086
  139    H    TYR  20           H        TYR  20  -9.501  -3.595   2.897
  140    HA   TYR  20           HA       TYR  20  -8.263  -3.617   0.193
  141   1HB   TYR  20          1HB       TYR  20 -10.371  -4.884   0.441
  142   2HB   TYR  20          2HB       TYR  20 -11.187  -3.392   0.998
  143    HD1  TYR  20           HD1      TYR  20 -11.193  -1.391  -0.651
  144    HD2  TYR  20           HD2      TYR  20 -10.141  -5.329  -1.862
  145    HE1  TYR  20           HE1      TYR  20 -11.306  -0.692  -3.004
  146    HE2  TYR  20           HE2      TYR  20 -10.294  -4.654  -4.216
  147    HH   TYR  20           HH       TYR  20 -11.930  -1.709  -5.099
  148    NH1  ARG  21           NH1      ARG  21  -7.666   4.647   0.204
  149    NH2  ARG  21           NH2      ARG  21  -5.984   5.403   1.573
  150    H    ARG  21           H        ARG  21  -8.149  -1.832  -1.046
  151    HA   ARG  21           HA       ARG  21 -10.091   0.095  -1.086
  152   1HB   ARG  21          1HB       ARG  21  -8.856   2.167  -0.373
  153   2HB   ARG  21          2HB       ARG  21  -9.424   1.101   0.945
  154   1HG   ARG  21          2HG       ARG  21  -7.354   1.444   1.763
  155   2HG   ARG  21          1HG       ARG  21  -6.901   0.159   0.609
  156   1HD   ARG  21          1HD       ARG  21  -5.506   1.571  -0.331
  157   2HD   ARG  21          2HD       ARG  21  -6.908   2.540  -0.862
  158    HE   ARG  21           HE       ARG  21  -5.204   3.049   1.499
  159   1HH1  ARG  21          2HH1      ARG  21  -8.104   3.910  -0.313
  160   2HH1  ARG  21          1HH1      ARG  21  -8.085   5.555   0.228
  161   1HH2  ARG  21          2HH2      ARG  21  -5.144   5.238   2.089
  162   2HH2  ARG  21          1HH2      ARG  21  -6.413   6.306   1.591
  163    HA   PRO  22           HA       PRO  22  -7.933   0.049  -4.941
  164   1HB   PRO  22          1HB       PRO  22  -9.977   1.306  -6.211
  165   2HB   PRO  22          2HB       PRO  22 -10.225  -0.267  -5.400
  166   1HG   PRO  22          1HG       PRO  22 -11.273   2.381  -4.677
  167   2HG   PRO  22          2HG       PRO  22 -11.747   0.771  -4.067
  168   1HD   PRO  22          1HD       PRO  22  -9.910   2.773  -2.862
  169   2HD   PRO  22          2HD       PRO  22 -10.716   1.377  -2.097
  170    H    LEU  23           H        LEU  23  -6.408   0.896  -5.963
  171    HA   LEU  23           HA       LEU  23  -6.418   3.849  -6.177
  172   1HB   LEU  23          1HB       LEU  23  -3.810   2.368  -6.183
  173   2HB   LEU  23          2HB       LEU  23  -4.161   4.081  -5.823
  174    HG   LEU  23           HG       LEU  23  -5.380   2.920  -3.721
  175   1HD1  LEU  23          2HD1      LEU  23  -4.733   0.652  -4.403
  176   2HD1  LEU  23          1HD1      LEU  23  -3.019   1.135  -4.391
  177   3HD1  LEU  23          3HD1      LEU  23  -3.951   1.123  -2.873
  178   1HD2  LEU  23          1HD2      LEU  23  -3.370   4.616  -4.096
  179   2HD2  LEU  23          3HD2      LEU  23  -3.677   3.862  -2.510
  180   3HD2  LEU  23          2HD2      LEU  23  -2.407   3.209  -3.576
  181    H    CYS  24           H        CYS  24  -4.296   3.979  -7.998
  182    HA   CYS  24           HA       CYS  24  -4.811   1.972 -10.048
  183   1HB   CYS  24          1HB       CYS  24  -6.294   3.921 -10.623
  184   2HB   CYS  24          2HB       CYS  24  -4.809   4.888 -10.841
  185    H    GLY  25           H        GLY  25  -2.929   1.195 -10.634
  186   1HA   GLY  25          2HA       GLY  25  -0.441   2.268  -9.564
  187   2HA   GLY  25          1HA       GLY  25  -0.627   0.877 -10.665
  188    H    SER  26           H        SER  26   1.401   2.218 -11.384
  189    HA   SER  26           HA       SER  26   0.536   3.931 -13.652
  190   1HB   SER  26          2HB       SER  26   2.564   4.476 -12.083
  191   2HB   SER  26          1HB       SER  26   3.405   3.274 -13.103
  192    HG   SER  26           HG       SER  26   3.067   4.370 -14.933
  193    H    ASP  27           H        ASP  27  -0.065   1.074 -13.341
  194    HA   ASP  27           HA       ASP  27   1.638  -0.059 -15.479
  195   1HB   ASP  27          1HB       ASP  27   1.491  -2.167 -14.383
  196   2HB   ASP  27          2HB       ASP  27   2.022  -0.917 -13.221
  197    H    ASN  28           H        ASN  28  -0.955   1.404 -15.731
  198    HA   ASN  28           HA       ASN  28  -2.981   1.250 -16.746
  199   1HB   ASN  28          1HB       ASN  28  -1.094  -0.530 -18.127
  200   2HB   ASN  28          2HB       ASN  28  -2.820  -0.773 -18.524
  201   1HD2  ASN  28          1HD2      ASN  28  -1.547   3.107 -19.071
  202   2HD2  ASN  28          2HD2      ASN  28  -1.237   2.279 -17.582
  203    H    LYS  29           H        LYS  29  -2.629  -0.332 -14.243
  204    HA   LYS  29           HA       LYS  29  -5.361  -1.470 -14.494
  205   1HB   LYS  29          1HB       LYS  29  -4.423  -3.309 -12.868
  206   2HB   LYS  29          2HB       LYS  29  -4.324  -3.491 -14.643
  207   1HG   LYS  29          2HG       LYS  29  -1.943  -2.288 -14.181
  208   2HG   LYS  29          1HG       LYS  29  -2.162  -3.128 -12.620
  209   1HD   LYS  29          1HD       LYS  29  -2.781  -4.808 -14.929
  210   2HD   LYS  29          2HD       LYS  29  -1.179  -4.128 -15.032
  211   1HE   LYS  29          1HE       LYS  29  -0.373  -5.526 -13.541
  212   2HE   LYS  29          2HE       LYS  29  -1.620  -5.035 -12.364
  213   1HZ   LYS  29          3HZ       LYS  29  -2.050  -6.873 -14.500
  214   2HZ   LYS  29          1HZ       LYS  29  -1.586  -7.311 -13.004
  215   3HZ   LYS  29          2HZ       LYS  29  -3.009  -6.547 -13.193
  216    H    THR  30           H        THR  30  -6.592  -1.294 -12.709
  217    HA   THR  30           HA       THR  30  -5.758   0.336 -10.451
  218    HB   THR  30           HB       THR  30  -8.230  -1.421 -10.926
  219    HG1  THR  30           HG1      THR  30  -9.111   0.201 -11.381
  220   1HG2  THR  30          1HG2      THR  30  -7.293  -0.387  -8.443
  221   2HG2  THR  30          3HG2      THR  30  -8.713   0.567  -8.942
  222   3HG2  THR  30          2HG2      THR  30  -8.833  -1.207  -8.805
  223    OH   TYR  31           OH       TYR  31   0.590  -3.959 -10.175
  224    H    TYR  31           H        TYR  31  -5.395  -0.362  -8.353
  225    HA   TYR  31           HA       TYR  31  -4.860  -3.277  -8.025
  226   1HB   TYR  31          2HB       TYR  31  -3.511  -0.867  -6.811
  227   2HB   TYR  31          1HB       TYR  31  -3.581  -2.411  -5.915
  228    HD1  TYR  31           HD2      TYR  31  -2.759  -4.508  -7.237
  229    HD2  TYR  31           HD1      TYR  31  -1.786  -0.532  -8.388
  230    HE1  TYR  31           HE2      TYR  31  -0.958  -5.370  -8.663
  231    HE2  TYR  31           HE1      TYR  31   0.085  -1.376  -9.740
  232    HH   TYR  31           HH       TYR  31   0.008  -4.618 -10.816
  233    H    GLY  32           H        GLY  32  -6.077  -4.331  -6.616
  234   1HA   GLY  32          2HA       GLY  32  -8.401  -3.303  -5.510
  235   2HA   GLY  32          1HA       GLY  32  -7.605  -4.796  -4.946
  236    H    ASN  33           H        ASN  33  -5.351  -4.053  -3.764
  237    HA   ASN  33           HA       ASN  33  -6.200  -2.117  -1.681
  238   1HB   ASN  33          1HB       ASN  33  -5.025  -3.704  -0.067
  239   2HB   ASN  33          2HB       ASN  33  -6.653  -4.125  -0.675
  240   1HD2  ASN  33          1HD2      ASN  33  -3.884  -6.884  -0.856
  241   2HD2  ASN  33          2HD2      ASN  33  -3.944  -5.546   0.242
  242    H    LYS  34           H        LYS  34  -4.438  -1.338  -0.299
  243    HA   LYS  34           HA       LYS  34  -2.228  -0.355  -1.690
  244   1HB   LYS  34          1HB       LYS  34  -3.266   0.019   0.817
  245   2HB   LYS  34          2HB       LYS  34  -1.731  -0.821   1.180
  246   1HG   LYS  34          1HG       LYS  34  -1.029   1.100  -0.728
  247   2HG   LYS  34          2HG       LYS  34  -2.209   1.934   0.324
  248   1HD   LYS  34          1HD       LYS  34  -0.596   0.610   2.124
  249   2HD   LYS  34          2HD       LYS  34   0.523   1.055   0.864
  250   1HE   LYS  34          1HE       LYS  34  -0.860   3.375   1.122
  251   2HE   LYS  34          2HE       LYS  34  -0.917   2.730   2.784
  252   1HZ   LYS  34          3HZ       LYS  34   1.411   2.397   2.536
  253   2HZ   LYS  34          1HZ       LYS  34   1.366   3.253   1.153
  254   3HZ   LYS  34          2HZ       LYS  34   0.913   3.973   2.539
  255    H    CYS  35           H        CYS  35  -2.619  -3.365   0.119
  256    HA   CYS  35           HA       CYS  35   0.152  -3.969   0.243
  257   1HB   CYS  35          1HB       CYS  35  -1.897  -4.861   1.600
  258   2HB   CYS  35          2HB       CYS  35  -1.952  -6.105   0.320
  259    H    ASN  36           H        ASN  36  -2.234  -4.377  -2.237
  260    HA   ASN  36           HA       ASN  36  -0.465  -6.215  -3.710
  261   1HB   ASN  36          1HB       ASN  36  -3.349  -5.488  -3.938
  262   2HB   ASN  36          2HB       ASN  36  -2.472  -6.115  -5.364
  263   1HD2  ASN  36          1HD2      ASN  36  -2.617  -8.587  -2.044
  264   2HD2  ASN  36          2HD2      ASN  36  -2.273  -6.899  -1.863
  265    H    PHE  37           H        PHE  37  -1.376  -2.898  -3.553
  266    HA   PHE  37           HA       PHE  37  -0.252  -2.050  -6.078
  267   1HB   PHE  37          1HB       PHE  37  -1.646  -0.502  -4.772
  268   2HB   PHE  37          2HB       PHE  37  -0.486  -0.576  -3.415
  269    HD1  PHE  37           HD1      PHE  37  -0.594   0.114  -7.045
  270    HD2  PHE  37           HD2      PHE  37   1.165   1.152  -3.306
  271    HE1  PHE  37           HE1      PHE  37   0.740   1.839  -8.174
  272    HE2  PHE  37           HE2      PHE  37   2.599   2.820  -4.437
  273    HZ   PHE  37           HZ       PHE  37   2.457   3.073  -6.899
  274    H    CYS  38           H        CYS  38   1.030  -1.847  -2.736
  275    HA   CYS  38           HA       CYS  38   3.560  -1.022  -3.565
  276   1HB   CYS  38          1HB       CYS  38   2.848  -2.446  -0.989
  277   2HB   CYS  38          2HB       CYS  38   4.305  -1.461  -1.300
  278    H    ASN  39           H        ASN  39   2.221  -4.212  -3.421
  279    HA   ASN  39           HA       ASN  39   4.836  -5.545  -3.196
  280   1HB   ASN  39          1HB       ASN  39   2.007  -6.518  -3.214
  281   2HB   ASN  39          2HB       ASN  39   3.357  -7.619  -3.610
  282   1HD2  ASN  39          1HD2      ASN  39   2.908  -6.098   0.205
  283   2HD2  ASN  39          2HD2      ASN  39   2.541  -5.103  -1.166
  284    H    ALA  40           H        ALA  40   2.590  -4.355  -5.530
  285    HA   ALA  40           HA       ALA  40   3.758  -5.661  -7.853
  286   1HB   ALA  40          2HB       ALA  40   1.509  -4.528  -7.769
  287   2HB   ALA  40          1HB       ALA  40   2.378  -2.973  -7.707
  288   3HB   ALA  40          3HB       ALA  40   2.572  -4.046  -9.116
  289    H    VAL  41           H        VAL  41   4.321  -2.750  -5.897
  290    HA   VAL  41           HA       VAL  41   6.116  -1.491  -7.739
  291    HB   VAL  41           HB       VAL  41   5.824  -1.125  -4.750
  292   1HG1  VAL  41          1HG1      VAL  41   7.213   0.550  -6.845
  293   2HG1  VAL  41          2HG1      VAL  41   6.705   1.195  -5.266
  294   3HG1  VAL  41          3HG1      VAL  41   7.883  -0.136  -5.345
  295   1HG2  VAL  41          2HG2      VAL  41   3.852  -0.735  -6.532
  296   2HG2  VAL  41          1HG2      VAL  41   4.073   0.258  -5.071
  297   3HG2  VAL  41          3HG2      VAL  41   4.671   0.841  -6.642
  298    H    VAL  42           H        VAL  42   6.686  -3.372  -4.745
  299    HA   VAL  42           HA       VAL  42   9.490  -3.126  -4.989
  300    HB   VAL  42           HB       VAL  42   9.567  -4.761  -3.126
  301   1HG1  VAL  42          1HG1      VAL  42   8.663  -2.145  -3.100
  302   2HG1  VAL  42          2HG1      VAL  42   7.475  -3.012  -2.099
  303   3HG1  VAL  42          3HG1      VAL  42   9.207  -3.096  -1.698
  304   1HG2  VAL  42          2HG2      VAL  42   6.814  -5.270  -3.973
  305   2HG2  VAL  42          3HG2      VAL  42   7.933  -6.266  -3.010
  306   3HG2  VAL  42          1HG2      VAL  42   6.980  -4.985  -2.224
  307    H    GLU  43           H        GLU  43   7.278  -5.787  -5.806
  308    HA   GLU  43           HA       GLU  43   9.158  -7.535  -6.958
  309   1HB   GLU  43          1HB       GLU  43   6.309  -6.821  -7.645
  310   2HB   GLU  43          2HB       GLU  43   7.177  -7.972  -8.492
  311   1HG   GLU  43          1HG       GLU  43   5.530  -8.565  -6.647
  312   2HG   GLU  43          2HG       GLU  43   6.917  -9.608  -7.066
  313    H    SER  44           H        SER  44   7.942  -4.445  -8.030
  314    HA   SER  44           HA       SER  44   8.469  -4.960 -10.866
  315   1HB   SER  44          1HB       SER  44   6.530  -3.662 -10.367
  316   2HB   SER  44          2HB       SER  44   7.480  -2.503  -9.393
  317    HG   SER  44           HG       SER  44   6.758  -2.253 -11.847
  318    H    ASN  45           H        ASN  45  10.068  -3.623  -8.098
  319    HA   ASN  45           HA       ASN  45  12.301  -3.343  -7.791
  320   1HB   ASN  45          1HB       ASN  45  12.448  -5.245  -9.442
  321   2HB   ASN  45          2HB       ASN  45  12.800  -4.006 -10.681
  322   1HD2  ASN  45          1HD2      ASN  45  16.192  -4.284  -9.977
  323   2HD2  ASN  45          2HD2      ASN  45  14.909  -4.280 -11.141
  324    H    GLY  46           H        GLY  46  10.821  -1.190  -7.958
  325   1HA   GLY  46          1HA       GLY  46  11.639   0.966  -7.616
  326   2HA   GLY  46          2HA       GLY  46  12.945   0.649  -8.789
  327    H    THR  47           H        THR  47  10.862  -0.443 -10.711
  328    HA   THR  47           HA       THR  47  10.350   1.907 -12.197
  329    HB   THR  47           HB       THR  47   9.134  -0.903 -12.362
  330    HG1  THR  47           HG1      THR  47  11.008  -0.833 -12.672
  331   1HG2  THR  47          1HG2      THR  47   8.562   1.505 -14.062
  332   2HG2  THR  47          2HG2      THR  47   8.605  -0.122 -14.789
  333   3HG2  THR  47          3HG2      THR  47   7.460   0.235 -13.472
  334    H    LEU  48           H        LEU  48   7.711  -0.191 -11.040
  335    HA   LEU  48           HA       LEU  48   5.869   1.745 -11.862
  336   1HB   LEU  48          1HB       LEU  48   5.226  -0.481 -11.909
  337   2HB   LEU  48          2HB       LEU  48   5.733  -0.777 -10.222
  338    HG   LEU  48           HG       LEU  48   3.416   1.042 -10.827
  339   1HD1  LEU  48          3HD1      LEU  48   3.368  -1.431 -11.867
  340   2HD1  LEU  48          2HD1      LEU  48   2.900  -1.822 -10.192
  341   3HD1  LEU  48          1HD1      LEU  48   1.938  -0.658 -11.138
  342   1HD2  LEU  48          3HD2      LEU  48   4.760   0.347  -8.538
  343   2HD2  LEU  48          1HD2      LEU  48   3.067   0.894  -8.606
  344   3HD2  LEU  48          2HD2      LEU  48   3.439  -0.847  -8.561
  345    H    THR  49           H        THR  49   4.359   3.014 -10.753
  346    HA   THR  49           HA       THR  49   4.510   3.209  -7.909
  347    HB   THR  49           HB       THR  49   6.363   4.865  -8.771
  348    HG1  THR  49           HG1      THR  49   5.833   4.639  -6.961
  349   1HG2  THR  49          1HG2      THR  49   3.891   6.378  -9.548
  350   2HG2  THR  49          2HG2      THR  49   5.304   7.239  -8.887
  351   3HG2  THR  49          3HG2      THR  49   5.471   6.256 -10.363
  352    H    LEU  50           H        LEU  50   3.081   5.698  -7.723
  353    HA   LEU  50           HA       LEU  50   0.495   4.494  -8.483
  354   1HB   LEU  50          1HB       LEU  50   0.641   4.805  -6.203
  355   2HB   LEU  50          2HB       LEU  50   1.507   6.359  -6.355
  356    HG   LEU  50           HG       LEU  50  -0.749   7.245  -7.286
  357   1HD1  LEU  50          1HD1      LEU  50  -1.480   4.588  -6.101
  358   2HD1  LEU  50          3HD1      LEU  50  -2.583   5.970  -5.885
  359   3HD1  LEU  50          2HD1      LEU  50  -2.145   5.428  -7.524
  360   1HD2  LEU  50          1HD2      LEU  50   0.540   7.373  -4.927
  361   2HD2  LEU  50          3HD2      LEU  50  -1.034   8.153  -5.225
  362   3HD2  LEU  50          2HD2      LEU  50  -0.963   6.577  -4.396
  363    H    SER  51           H        SER  51  -0.497   5.169 -10.206
  364    HA   SER  51           HA       SER  51  -0.113   7.695 -11.517
  365   1HB   SER  51          1HB       SER  51  -1.049   5.728 -12.641
  366   2HB   SER  51          2HB       SER  51  -2.504   5.831 -11.609
  367    HG   SER  51           HG       SER  51  -1.422   7.626 -13.612
  368    H    HIS  52           H        HIS  52  -2.506   6.459  -9.172
  369    HA   HIS  52           HA       HIS  52  -2.640   8.859  -7.665
  370   1HB   HIS  52          1HB       HIS  52  -4.934   9.617  -8.299
  371   2HB   HIS  52          2HB       HIS  52  -3.707   9.930  -9.561
  372    HD1  HIS  52           HD1      HIS  52  -7.066   9.148  -9.609
  373    HD2  HIS  52           HD2      HIS  52  -3.790   6.933 -10.916
  374    HE1  HIS  52           HE1      HIS  52  -7.972   7.350 -11.103
  375    HE2  HIS  52           HE2      HIS  52  -5.978   6.127 -12.041
  376    H    PHE  53           H        PHE  53  -4.313   8.802  -6.062
  377    HA   PHE  53           HA       PHE  53  -5.300   6.077  -5.475
  378   1HB   PHE  53          1HB       PHE  53  -5.842   8.544  -3.787
  379   2HB   PHE  53          2HB       PHE  53  -5.934   6.821  -3.323
  380    HD1  PHE  53           HD2      PHE  53  -3.359   9.360  -4.493
  381    HD2  PHE  53           HD1      PHE  53  -4.247   5.840  -2.263
  382    HE1  PHE  53           HE2      PHE  53  -1.197   9.573  -3.305
  383    HE2  PHE  53           HE1      PHE  53  -2.002   5.885  -1.271
  384    HZ   PHE  53           HZ       PHE  53  -0.519   7.809  -1.701
  385    H    GLY  54           H        GLY  54  -7.604   6.009  -4.653
  386   1HA   GLY  54          2HA       GLY  54  -9.825   6.720  -4.600
  387   2HA   GLY  54          1HA       GLY  54  -9.390   8.101  -5.642
  388    H    LYS  55           H        LYS  55  -8.813   4.621  -6.180
  389    HA   LYS  55           HA       LYS  55  -9.027   3.376  -8.130
  390   1HB   LYS  55          1HB       LYS  55 -11.629   4.830  -8.557
  391   2HB   LYS  55          2HB       LYS  55 -11.212   3.120  -8.861
  392   1HG   LYS  55          2HG       LYS  55 -11.359   2.560  -6.567
  393   2HG   LYS  55          1HG       LYS  55 -11.317   4.274  -6.060
  394   1HD   LYS  55          1HD       LYS  55 -13.531   4.579  -6.489
  395   2HD   LYS  55          2HD       LYS  55 -13.527   3.483  -7.845
  396   1HE   LYS  55          1HE       LYS  55 -14.758   2.223  -6.460
  397   2HE   LYS  55          2HE       LYS  55 -13.131   1.674  -5.971
  398   1HZ   LYS  55          3HZ       LYS  55 -14.566   3.811  -4.743
  399   2HZ   LYS  55          1HZ       LYS  55 -14.607   2.266  -4.234
  400   3HZ   LYS  55          2HZ       LYS  55 -13.185   3.055  -4.233
  401    H    CYS  56           H        CYS  56  -9.509   3.405 -10.483
  402    HA   CYS  56           HA       CYS  56  -7.618   5.296 -11.405
  403   1HB   CYS  56          1HB       CYS  56  -8.065   2.772 -11.980
  404   2HB   CYS  56          2HB       CYS  56  -9.076   3.467 -13.278
   
   
  No H/Q in entry =         404