*HEADER    ANTIMICROBIAL PROTEIN                   01-MAR-10   2KUY              
*TITLE     STRUCTURE OF GLYCOCIN A                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLYCOCIN_A;                                                
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM;                        
*SOURCE   3 ORGANISM_TAXID: 1590                                                 
*KEYWDS    BACTERIOCIN, GLYCOSYLATION, LACTOBACILLUS, S-LINKED, ANTIMICROBIAL    
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    12                                                                    
*AUTHOR    H.VENUGOPAL, P.EDWARDS, M.SCHWALBE, J.CLARIDGE, J.STEPPER,            
*AUTHOR   2 M.PATCHETT, T.LOO, D.LIBICH, G.NORRIS, S.PASCAL                      
*REVDAT   1   04-MAY-11 2KUY    0                                                


assign (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   42 and name   HN) 3.448 1.486 1.486 weight 1.000 ! spec=noesy200ms, no=55, id=1, vol=1.026000e+05
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name   HN) 3.167 1.253 1.253 weight 1.000 ! spec=noesy200ms, no=116, id=2, vol=1.710000e+05
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HB1) 2.932 1.074 1.074 weight 1.000 ! spec=noesy200ms, no=117, id=3, vol=2.715000e+05
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    8 and name   HN) 3.508 1.538 1.538 weight 1.000 ! spec=noesy200ms, no=120, id=5, vol=9.251000e+04
assign (segid "   A" and resid    6 and name  HZ2) (segid "   A" and resid    6 and name  HE1) 2.730 0.932 0.932 weight 1.000 ! spec=noesy200ms, no=144, id=7, vol=4.160000e+05
assign (segid "   A" and resid    6 and name  HE3) (segid "   A" and resid    6 and name  HB1) 3.316 1.374 1.374 weight 1.000 ! spec=noesy200ms, no=177, id=15, vol=1.297000e+05
assign (segid "   A" and resid    6 and name  HE3) (segid "   A" and resid    6 and name  HB2) 3.207 1.286 1.286 weight 1.000 ! spec=noesy200ms, no=178, id=16, vol=1.585000e+05
assign (segid "   A" and resid    4 and name  HZ2) (segid "   A" and resid    4 and name  HE1) 2.556 0.817 0.817 weight 1.000 ! spec=noesy200ms, no=205, id=20, vol=6.180000e+05
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HD2) 4.370 2.387 2.387 weight 1.000 ! spec=noesy200ms, no=284, id=31, vol=2.476000e+04
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HD2) 2.470 0.763 0.763 weight 1.000 ! spec=noesy200ms, no=289, id=32, vol=7.583000e+05
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HD1) 2.915 1.062 1.062 weight 1.000 ! spec=noesy200ms, no=290, id=33, vol=2.811000e+05
assign (segid "   A" and resid   31 and name HG12) (segid "   A" and resid   31 and name HG11) 2.598 0.844 0.844 weight 1.000 ! spec=noesy200ms, no=300, id=36, vol=5.608000e+05
assign (segid "   A" and resid   31 and name HG12) (segid "   A" and resid   31 and name   HN) 2.923 1.068 1.068 weight 1.000 ! spec=noesy200ms, no=301, id=37, vol=2.762000e+05
assign (segid "   A" and resid   31 and name HG12) (segid "   A" and resid   31 and name HG22) 3.614 1.633 1.633 weight 1.000 ! spec=noesy200ms, no=302, id=38, vol=7.734000e+04
    or (segid "   A" and resid   31 and name HG12) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name HG12) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name HG11) 2.314 0.670 0.670 weight 1.000 ! spec=noesy200ms, no=305, id=39, vol=1.122000e+06
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name HG11)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name HG11)
assign (segid "   A" and resid   31 and name HG11) (segid "   A" and resid   31 and name   HN) 3.116 1.213 1.213 weight 1.000 ! spec=noesy200ms, no=308, id=41, vol=1.885000e+05
assign (segid "   A" and resid   31 and name HG11) (segid "   A" and resid   31 and name HG22) 3.427 1.468 1.468 weight 1.000 ! spec=noesy200ms, no=309, id=42, vol=1.064000e+05
    or (segid "   A" and resid   31 and name HG11) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name HG11) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name HG11) (segid "   A" and resid   31 and name   HB) 2.877 1.034 1.034 weight 1.000 ! spec=noesy200ms, no=310, id=43, vol=3.043000e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD12) 3.489 1.522 1.522 weight 1.000 ! spec=noesy200ms, no=312, id=44, vol=9.554000e+04
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD13)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HG22) 3.502 1.533 1.533 weight 1.000 ! spec=noesy200ms, no=316, id=47, vol=9.353000e+04
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HG1) 2.984 1.113 1.113 weight 1.000 ! spec=noesy200ms, no=325, id=52, vol=2.442000e+05
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HG2) 3.103 1.204 1.204 weight 1.000 ! spec=noesy200ms, no=326, id=53, vol=1.930000e+05
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HG1) 3.034 1.151 1.151 weight 1.000 ! spec=noesy200ms, no=333, id=56, vol=2.211000e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    9 and name   HN) 4.318 2.330 2.330 weight 1.000 ! spec=noesy200ms, no=345, id=59, vol=2.661000e+04
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    9 and name   HN)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   11 and name   HN) 2.618 0.857 0.857 weight 1.000 ! spec=noesy200ms, no=346, id=60, vol=5.357000e+05
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   11 and name   HN)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   11 and name   HN)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HN) 2.178 0.593 0.593 weight 1.000 ! spec=noesy200ms, no=347, id=61, vol=1.615000e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HN)
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HB1) 2.710 0.918 0.918 weight 1.000 ! spec=noesy200ms, no=352, id=62, vol=4.357000e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=noesy200ms, no=356, id=65, vol=2.435000e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HN) 2.592 0.840 0.840 weight 1.000 ! spec=noesy200ms, no=357, id=66, vol=5.685000e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HB2) 2.940 1.080 1.080 weight 1.000 ! spec=noesy200ms, no=363, id=67, vol=2.670000e+05
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name   HN) 3.033 1.150 1.150 weight 1.000 ! spec=noesy200ms, no=367, id=70, vol=2.216000e+05
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name  HD2) 3.545 1.571 1.571 weight 1.000 ! spec=noesy200ms, no=371, id=72, vol=8.683000e+04
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   35 and name   HN) 3.588 1.609 1.609 weight 1.000 ! spec=noesy200ms, no=374, id=74, vol=8.079000e+04
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name   HN) 3.277 1.343 1.343 weight 1.000 ! spec=noesy200ms, no=376, id=75, vol=1.391000e+05
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HN) 2.591 0.791 3.409 weight 1.000 ! spec=noesy200ms, no=386, id=79, vol=5.704000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 2.831 1.002 1.002 weight 1.000 ! spec=noesy200ms, no=387, id=80, vol=3.346000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.951 1.088 1.088 weight 1.000 ! spec=noesy200ms, no=389, id=81, vol=2.611000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name   HN) 2.491 0.776 0.776 weight 1.000 ! spec=noesy200ms, no=390, id=82, vol=7.214000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=noesy200ms, no=391, id=83, vol=3.213000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   25 and name   HN) 3.565 1.588 1.588 weight 1.000 ! spec=noesy200ms, no=392, id=84, vol=8.402000e+04
assign (segid "   A" and resid   31 and name HG22) (segid "   A" and resid   32 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=noesy200ms, no=400, id=88, vol=1.908000e+05
    or (segid "   A" and resid   31 and name HG21) (segid "   A" and resid   32 and name   HN)
    or (segid "   A" and resid   31 and name HG23) (segid "   A" and resid   32 and name   HN)
assign (segid "   A" and resid   31 and name HD12) (segid "   A" and resid   31 and name   HB) 2.567 0.824 0.824 weight 1.000 ! spec=noesy200ms, no=401, id=89, vol=6.026000e+05
    or (segid "   A" and resid   31 and name HD11) (segid "   A" and resid   31 and name   HB)
    or (segid "   A" and resid   31 and name HD13) (segid "   A" and resid   31 and name   HB)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HB) 2.521 0.721 3.479 weight 1.000 ! spec=noesy200ms, no=404, id=91, vol=6.718000e+05
assign (segid "   A" and resid   31 and name HG22) (segid "   A" and resid   31 and name   HB) 2.342 0.686 0.686 weight 1.000 ! spec=noesy200ms, no=405, id=92, vol=1.044000e+06
    or (segid "   A" and resid   31 and name HG21) (segid "   A" and resid   31 and name   HB)
    or (segid "   A" and resid   31 and name HG23) (segid "   A" and resid   31 and name   HB)
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   32 and name   HN) 3.373 1.422 1.422 weight 1.000 ! spec=noesy200ms, no=408, id=93, vol=1.171000e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name   HN) 2.641 0.872 0.872 weight 1.000 ! spec=noesy200ms, no=412, id=94, vol=5.086000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name  HD2) 3.366 1.416 1.416 weight 1.000 ! spec=noesy200ms, no=416, id=96, vol=1.185000e+05
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   34 and name   HN) 4.026 2.026 2.026 weight 1.000 ! spec=noesy200ms, no=420, id=98, vol=4.048000e+04
assign (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HN) 3.030 1.148 1.148 weight 1.000 ! spec=noesy200ms, no=421, id=99, vol=2.227000e+05
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name  HD2) 3.538 1.565 1.565 weight 1.000 ! spec=noesy200ms, no=423, id=100, vol=8.787000e+04
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HD2) 3.575 1.597 1.597 weight 1.000 ! spec=noesy200ms, no=429, id=102, vol=8.261000e+04
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB1) 2.495 0.778 0.778 weight 1.000 ! spec=noesy200ms, no=430, id=103, vol=7.153000e+05
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB2) 2.791 0.973 0.973 weight 1.000 ! spec=noesy200ms, no=431, id=104, vol=3.651000e+05
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   34 and name   HN) 2.410 0.726 0.726 weight 1.000 ! spec=noesy200ms, no=433, id=105, vol=8.803000e+05
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name   HN) 3.772 1.779 1.779 weight 1.000 ! spec=noesy200ms, no=434, id=106, vol=5.983000e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 2.448 0.749 0.749 weight 1.000 ! spec=noesy200ms, no=453, id=114, vol=8.007000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.204 1.283 1.283 weight 1.000 ! spec=noesy200ms, no=455, id=116, vol=1.593000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HN) 2.375 0.705 0.705 weight 1.000 ! spec=noesy200ms, no=459, id=118, vol=9.614000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB1) 3.879 1.881 1.881 weight 1.000 ! spec=noesy200ms, no=480, id=132, vol=5.062000e+04
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.567 0.824 0.824 weight 1.000 ! spec=noesy200ms, no=485, id=134, vol=6.021000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HN) 2.381 0.709 0.709 weight 1.000 ! spec=noesy200ms, no=490, id=138, vol=9.464000e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.513 1.542 1.542 weight 1.000 ! spec=noesy200ms, no=493, id=140, vol=9.177000e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.432 1.472 1.472 weight 1.000 ! spec=noesy200ms, no=498, id=143, vol=1.055000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.469 0.762 0.762 weight 1.000 ! spec=noesy200ms, no=509, id=149, vol=7.617000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 2.759 0.951 0.951 weight 1.000 ! spec=noesy200ms, no=512, id=150, vol=3.912000e+05
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   43 and name   HN) 3.730 1.739 1.739 weight 1.000 ! spec=noesy200ms, no=517, id=152, vol=6.398000e+04
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   42 and name   HN) 3.549 1.574 1.574 weight 1.000 ! spec=noesy200ms, no=518, id=153, vol=8.629000e+04
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   18 and name   HN) 3.292 1.355 1.355 weight 1.000 ! spec=noesy200ms, no=524, id=155, vol=1.354000e+05
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=noesy200ms, no=528, id=157, vol=2.893000e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   18 and name   HN) 3.412 1.455 1.455 weight 1.000 ! spec=noesy200ms, no=529, id=158, vol=1.093000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name  HE3) 3.314 1.373 1.373 weight 1.000 ! spec=noesy200ms, no=534, id=160, vol=1.302000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name   HN) 2.708 0.917 0.917 weight 1.000 ! spec=noesy200ms, no=535, id=161, vol=4.373000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB1) 3.496 1.527 1.527 weight 1.000 ! spec=noesy200ms, no=537, id=162, vol=9.448000e+04
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2) 3.119 1.216 1.216 weight 1.000 ! spec=noesy200ms, no=538, id=163, vol=1.872000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    8 and name   HN) 3.027 1.145 1.145 weight 1.000 ! spec=noesy200ms, no=539, id=164, vol=2.243000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name   HN) 3.058 1.169 1.169 weight 1.000 ! spec=noesy200ms, no=540, id=165, vol=2.107000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.449 0.750 0.750 weight 1.000 ! spec=noesy200ms, no=543, id=166, vol=7.990000e+05
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    8 and name   HN) 3.053 1.165 1.165 weight 1.000 ! spec=noesy200ms, no=547, id=168, vol=2.130000e+05
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HB2) 2.917 1.063 1.063 weight 1.000 ! spec=noesy200ms, no=549, id=169, vol=2.801000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.693 0.906 0.906 weight 1.000 ! spec=noesy200ms, no=550, id=170, vol=4.521000e+05
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    8 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=noesy200ms, no=554, id=172, vol=4.957000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB2) 3.804 1.809 1.809 weight 1.000 ! spec=noesy200ms, no=555, id=173, vol=5.690000e+04
assign (segid "   A" and resid   35 and name  HB1) (segid "   A" and resid   35 and name   HN) 3.353 1.405 1.405 weight 1.000 ! spec=noesy200ms, no=562, id=175, vol=1.214000e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   36 and name   HN) 2.303 0.663 0.663 weight 1.000 ! spec=noesy200ms, no=564, id=176, vol=1.157000e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name   HN) 2.814 0.990 0.990 weight 1.000 ! spec=noesy200ms, no=567, id=177, vol=3.469000e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HB2) 2.734 0.935 0.935 weight 1.000 ! spec=noesy200ms, no=568, id=178, vol=4.124000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.454 0.753 0.753 weight 1.000 ! spec=noesy200ms, no=580, id=184, vol=7.898000e+05
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   13 and name   HN) 3.048 1.161 1.161 weight 1.000 ! spec=noesy200ms, no=585, id=186, vol=2.149000e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.857 1.859 1.859 weight 1.000 ! spec=noesy200ms, no=586, id=187, vol=5.239000e+04
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   40 and name   HN) 4.045 2.045 2.045 weight 1.000 ! spec=noesy200ms, no=594, id=191, vol=3.935000e+04
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HD2) 3.093 1.196 1.196 weight 1.000 ! spec=noesy200ms, no=596, id=192, vol=1.969000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.620 0.858 0.858 weight 1.000 ! spec=noesy200ms, no=597, id=193, vol=5.325000e+05
assign (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HB2) 2.901 1.052 1.052 weight 1.000 ! spec=noesy200ms, no=603, id=195, vol=2.895000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.506 1.536 1.536 weight 1.000 ! spec=noesy200ms, no=605, id=196, vol=9.290000e+04
assign (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   21 and name   HN) 3.404 1.448 1.448 weight 1.000 ! spec=noesy200ms, no=617, id=201, vol=1.108000e+05
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   21 and name   HN)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HN) 2.802 0.981 0.981 weight 1.000 ! spec=noesy200ms, no=623, id=203, vol=3.564000e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   30 and name   HN) 3.129 1.224 1.224 weight 1.000 ! spec=noesy200ms, no=630, id=205, vol=1.837000e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HN) 3.263 1.331 1.331 weight 1.000 ! spec=noesy200ms, no=631, id=206, vol=1.428000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.555 0.816 0.816 weight 1.000 ! spec=noesy200ms, no=634, id=207, vol=6.201000e+05
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   29 and name   HN) 3.105 1.206 1.206 weight 1.000 ! spec=noesy200ms, no=639, id=210, vol=1.922000e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB2) 3.132 1.226 1.226 weight 1.000 ! spec=noesy200ms, no=641, id=211, vol=1.827000e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB1) 3.267 1.334 1.334 weight 1.000 ! spec=noesy200ms, no=643, id=212, vol=1.418000e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name   HN) 3.219 1.295 1.295 weight 1.000 ! spec=noesy200ms, no=644, id=213, vol=1.549000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.121 1.218 1.218 weight 1.000 ! spec=noesy200ms, no=645, id=214, vol=1.865000e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HN) 2.602 0.846 0.846 weight 1.000 ! spec=noesy200ms, no=651, id=216, vol=5.561000e+05
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name   HN) 3.724 1.734 1.734 weight 1.000 ! spec=noesy200ms, no=655, id=218, vol=6.462000e+04
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    8 and name   HN) 2.926 1.070 1.070 weight 1.000 ! spec=noesy200ms, no=663, id=221, vol=2.749000e+05
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    8 and name   HN)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    8 and name   HN)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.691 0.905 0.905 weight 1.000 ! spec=noesy200ms, no=665, id=223, vol=4.539000e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HN) 2.223 0.618 0.618 weight 1.000 ! spec=noesy200ms, no=668, id=224, vol=1.429000e+06
assign (segid "   A" and resid   13 and name  HA2) (segid "   A" and resid   13 and name   HN) 2.444 0.746 0.746 weight 1.000 ! spec=noesy200ms, no=671, id=226, vol=8.099000e+05
assign (segid "   A" and resid   13 and name  HA2) (segid "   A" and resid   14 and name   HN) 2.984 1.113 1.113 weight 1.000 ! spec=noesy200ms, no=672, id=227, vol=2.442000e+05
assign (segid "   A" and resid   13 and name  HA1) (segid "   A" and resid   13 and name   HN) 2.666 0.889 0.889 weight 1.000 ! spec=noesy200ms, no=675, id=229, vol=4.797000e+05
assign (segid "   A" and resid   13 and name  HA1) (segid "   A" and resid   14 and name   HN) 2.935 1.077 1.077 weight 1.000 ! spec=noesy200ms, no=676, id=230, vol=2.697000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HA2) 2.924 1.069 1.069 weight 1.000 ! spec=noesy200ms, no=677, id=231, vol=2.759000e+05
assign (segid "   A" and resid   15 and name  HA2) (segid "   A" and resid   15 and name   HN) 2.579 0.831 0.831 weight 1.000 ! spec=noesy200ms, no=680, id=233, vol=5.862000e+05
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB2) 2.651 0.878 0.878 weight 1.000 ! spec=noesy200ms, no=682, id=234, vol=4.972000e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HG2) 3.758 1.765 1.765 weight 1.000 ! spec=noesy200ms, no=687, id=235, vol=6.123000e+04
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HG1) 3.815 1.819 1.819 weight 1.000 ! spec=noesy200ms, no=689, id=236, vol=5.590000e+04
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HB1) 2.966 1.100 1.100 weight 1.000 ! spec=noesy200ms, no=690, id=237, vol=2.533000e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HB2) 3.240 1.313 1.313 weight 1.000 ! spec=noesy200ms, no=691, id=238, vol=1.489000e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   33 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=noesy200ms, no=692, id=239, vol=9.406000e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name   HN) 2.811 0.988 0.988 weight 1.000 ! spec=noesy200ms, no=693, id=240, vol=3.492000e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HB2) 2.667 0.889 0.889 weight 1.000 ! spec=noesy200ms, no=694, id=241, vol=4.787000e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   41 and name   HN) 2.931 1.074 1.074 weight 1.000 ! spec=noesy200ms, no=697, id=242, vol=2.718000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 2.227 0.620 0.620 weight 1.000 ! spec=noesy200ms, no=702, id=243, vol=1.413000e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1) 3.274 1.340 1.340 weight 1.000 ! spec=noesy200ms, no=703, id=244, vol=1.399000e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.771 0.960 0.960 weight 1.000 ! spec=noesy200ms, no=704, id=245, vol=3.808000e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name   HN) 2.462 0.758 0.758 weight 1.000 ! spec=noesy200ms, no=706, id=246, vol=7.740000e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   27 and name   HN) 2.940 1.080 1.080 weight 1.000 ! spec=noesy200ms, no=707, id=247, vol=2.672000e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB2) 2.304 0.664 0.664 weight 1.000 ! spec=noesy200ms, no=708, id=248, vol=1.151000e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name   HN) 2.428 0.737 0.737 weight 1.000 ! spec=noesy200ms, no=710, id=249, vol=8.422000e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name  HB1) 2.805 0.983 0.983 weight 1.000 ! spec=noesy200ms, no=715, id=250, vol=3.543000e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   43 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=noesy200ms, no=718, id=251, vol=5.087000e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name   HN) 2.596 0.842 0.842 weight 1.000 ! spec=noesy200ms, no=719, id=252, vol=5.632000e+05
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    2 and name  HB1) 3.507 1.538 1.538 weight 1.000 ! spec=noesy200ms, no=720, id=253, vol=9.260000e+04
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB1) 3.746 1.754 1.754 weight 1.000 ! spec=noesy200ms, no=722, id=254, vol=6.241000e+04
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    4 and name   HN) 3.397 1.443 1.443 weight 1.000 ! spec=noesy200ms, no=729, id=256, vol=1.121000e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    3 and name   HN) 3.537 1.564 1.564 weight 1.000 ! spec=noesy200ms, no=730, id=257, vol=8.805000e+04
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HG1) 3.369 1.419 1.419 weight 1.000 ! spec=noesy200ms, no=733, id=260, vol=1.179000e+05
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HG2) 2.969 1.102 1.102 weight 1.000 ! spec=noesy200ms, no=740, id=263, vol=2.515000e+05
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    3 and name   HN) 3.840 1.844 1.844 weight 1.000 ! spec=noesy200ms, no=755, id=265, vol=5.374000e+04
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB2) 3.168 1.254 1.254 weight 1.000 ! spec=noesy200ms, no=758, id=266, vol=1.706000e+05
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name   HN) 3.871 1.873 1.873 weight 1.000 ! spec=noesy200ms, no=774, id=269, vol=5.124000e+04
assign (segid "   A" and resid    9 and name   HG) (segid "   A" and resid    9 and name  HB2) 2.227 0.427 3.773 weight 1.000 ! spec=noesy200ms, no=785, id=270, vol=1.414000e+06
assign (segid "   A" and resid    9 and name   HG) (segid "   A" and resid    9 and name  HB1) 2.084 0.543 0.543 weight 1.000 ! spec=noesy200ms, no=786, id=271, vol=2.103000e+06
assign (segid "   A" and resid    9 and name   HG) (segid "   A" and resid    9 and name   HN) 2.893 1.046 1.046 weight 1.000 ! spec=noesy200ms, no=788, id=273, vol=2.940000e+05
assign (segid "   A" and resid    9 and name HD12) (segid "   A" and resid    6 and name  HE3) 3.851 1.854 1.854 weight 1.000 ! spec=noesy200ms, no=789, id=274, vol=5.284000e+04
    or (segid "   A" and resid    9 and name HD11) (segid "   A" and resid    6 and name  HE3)
    or (segid "   A" and resid    9 and name HD13) (segid "   A" and resid    6 and name  HE3)
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HN) 2.349 0.690 0.690 weight 1.000 ! spec=noesy200ms, no=799, id=280, vol=1.025000e+06
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   22 and name   HN) 2.680 0.898 0.898 weight 1.000 ! spec=noesy200ms, no=800, id=281, vol=4.654000e+05
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name  HB2) 2.964 1.098 1.098 weight 1.000 ! spec=noesy200ms, no=803, id=283, vol=2.542000e+05
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name   HN) 2.863 1.025 1.025 weight 1.000 ! spec=noesy200ms, no=806, id=285, vol=3.130000e+05
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name  HB2) 2.788 0.972 0.972 weight 1.000 ! spec=noesy200ms, no=809, id=287, vol=3.668000e+05
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name   HN) 2.857 1.020 1.020 weight 1.000 ! spec=noesy200ms, no=812, id=289, vol=3.170000e+05
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name   HN) 2.674 0.894 0.894 weight 1.000 ! spec=noesy200ms, no=818, id=293, vol=4.718000e+05
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   25 and name   HN) 3.016 1.137 1.137 weight 1.000 ! spec=noesy200ms, no=819, id=294, vol=2.289000e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   23 and name   HN) 2.832 1.003 1.003 weight 1.000 ! spec=noesy200ms, no=823, id=296, vol=3.342000e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HN) 2.314 0.670 0.670 weight 1.000 ! spec=noesy200ms, no=824, id=297, vol=1.122000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 3.078 1.184 1.184 weight 1.000 ! spec=noesy200ms, no=825, id=298, vol=2.028000e+05
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid    5 and name  HB1) 3.521 1.550 1.550 weight 1.000 ! spec=noesy200ms, no=827, id=299, vol=9.046000e+04
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid   28 and name  HB1) 3.448 1.486 1.486 weight 1.000 ! spec=noesy200ms, no=829, id=300, vol=1.026000e+05
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HB2) 2.183 0.596 0.596 weight 1.000 ! spec=noesy200ms, no=830, id=301, vol=1.592000e+06
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    6 and name   HN) 3.426 1.467 1.467 weight 1.000 ! spec=noesy200ms, no=831, id=302, vol=1.066000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.306 1.366 1.366 weight 1.000 ! spec=noesy200ms, no=832, id=303, vol=1.321000e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HN) 2.677 0.896 0.896 weight 1.000 ! spec=noesy200ms, no=840, id=305, vol=4.684000e+05
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   20 and name HG21) 2.209 0.610 0.610 weight 1.000 ! spec=noesy200ms, no=845, id=307, vol=1.483000e+06
    or (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   20 and name HG22)
    or (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   20 and name   HN) 2.245 0.630 0.630 weight 1.000 ! spec=noesy200ms, no=848, id=308, vol=1.345000e+06
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   21 and name   HN) 2.434 0.740 0.740 weight 1.000 ! spec=noesy200ms, no=849, id=309, vol=8.299000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.272 1.338 1.338 weight 1.000 ! spec=noesy200ms, no=850, id=310, vol=1.406000e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HN) 2.889 1.043 1.043 weight 1.000 ! spec=noesy200ms, no=856, id=312, vol=2.967000e+05
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG21) 2.416 0.730 0.730 weight 1.000 ! spec=noesy200ms, no=857, id=313, vol=8.663000e+05
    or (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name   HA) 2.653 0.880 0.880 weight 1.000 ! spec=noesy200ms, no=859, id=314, vol=4.948000e+05
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    8 and name   HN) 2.527 0.798 0.798 weight 1.000 ! spec=noesy200ms, no=860, id=315, vol=6.627000e+05
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid    9 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=noesy200ms, no=861, id=316, vol=4.255000e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name   HN) 3.433 1.473 1.473 weight 1.000 ! spec=noesy200ms, no=862, id=317, vol=1.054000e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB2) 4.230 2.237 2.237 weight 1.000 ! spec=noesy200ms, no=864, id=318, vol=3.008000e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.936 1.078 1.078 weight 1.000 ! spec=noesy200ms, no=869, id=320, vol=2.691000e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   17 and name   HN) 3.014 1.135 1.135 weight 1.000 ! spec=noesy200ms, no=872, id=321, vol=2.301000e+05
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   26 and name   HN) 2.891 1.044 1.044 weight 1.000 ! spec=noesy200ms, no=877, id=322, vol=2.955000e+05
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HN) 2.477 0.767 0.767 weight 1.000 ! spec=noesy200ms, no=879, id=323, vol=7.467000e+05
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD2) 3.551 1.576 1.576 weight 1.000 ! spec=noesy200ms, no=883, id=325, vol=8.605000e+04
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD1) 4.196 2.201 2.201 weight 1.000 ! spec=noesy200ms, no=884, id=326, vol=3.158000e+04
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB1) 3.350 1.403 1.403 weight 1.000 ! spec=noesy200ms, no=885, id=327, vol=1.219000e+05
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HG1) 4.201 2.206 2.206 weight 1.000 ! spec=noesy200ms, no=886, id=328, vol=3.137000e+04
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HG2) 3.523 1.551 1.551 weight 1.000 ! spec=noesy200ms, no=887, id=329, vol=9.020000e+04
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB2) 2.995 1.121 1.121 weight 1.000 ! spec=noesy200ms, no=888, id=330, vol=2.390000e+05
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name   HN) 2.377 0.706 0.706 weight 1.000 ! spec=noesy200ms, no=890, id=331, vol=9.568000e+05
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name   HN) 3.899 1.901 1.901 weight 1.000 ! spec=noesy200ms, no=901, id=332, vol=4.904000e+04
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   33 and name   HN) 3.994 1.994 1.994 weight 1.000 ! spec=noesy200ms, no=909, id=334, vol=4.250000e+04
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HN) 2.777 0.964 0.964 weight 1.000 ! spec=noesy200ms, no=910, id=335, vol=3.756000e+05
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   33 and name   HN) 3.534 1.561 1.561 weight 1.000 ! spec=noesy200ms, no=918, id=337, vol=8.848000e+04
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HN) 3.187 1.269 1.269 weight 1.000 ! spec=noesy200ms, no=919, id=338, vol=1.646000e+05
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name   HN) 3.564 1.587 1.587 weight 1.000 ! spec=noesy200ms, no=923, id=340, vol=8.419000e+04
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name   HN) 3.699 1.711 1.711 weight 1.000 ! spec=noesy200ms, no=927, id=342, vol=6.726000e+04
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HN) 2.349 0.690 0.690 weight 1.000 ! spec=noesy200ms, no=933, id=343, vol=1.026000e+06
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HN) 2.421 0.733 0.733 weight 1.000 ! spec=noesy200ms, no=940, id=345, vol=8.561000e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   24 and name   HN) 2.631 0.865 0.865 weight 1.000 ! spec=noesy200ms, no=941, id=346, vol=5.194000e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HN) 2.297 0.659 0.659 weight 1.000 ! spec=noesy200ms, no=959, id=347, vol=1.174000e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HN)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   41 and name  HB1) (segid "   A" and resid   41 and name   HN) 3.081 1.186 1.186 weight 1.000 ! spec=noesy200ms, no=964, id=349, vol=2.016000e+05
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid   24 and name  HB1) 2.878 1.035 1.035 weight 1.000 ! spec=noesy200ms, no=965, id=350, vol=3.033000e+05
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   24 and name  HB1) 2.832 1.003 1.003 weight 1.000 ! spec=noesy200ms, no=966, id=351, vol=3.339000e+05
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HN) 2.503 0.783 0.783 weight 1.000 ! spec=noesy200ms, no=970, id=353, vol=7.003000e+05
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   25 and name   HN) 2.926 1.070 1.070 weight 1.000 ! spec=noesy200ms, no=971, id=354, vol=2.748000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.171 1.257 1.257 weight 1.000 ! spec=noesy200ms, no=972, id=355, vol=1.696000e+05
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name  HB1) 2.198 0.604 0.604 weight 1.000 ! spec=noesy200ms, no=973, id=356, vol=1.527000e+06
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   29 and name   HN) 3.548 1.573 1.573 weight 1.000 ! spec=noesy200ms, no=980, id=358, vol=8.644000e+04
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.506 0.785 0.785 weight 1.000 ! spec=noesy200ms, no=981, id=359, vol=6.956000e+05
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    6 and name   HN) 2.976 1.107 1.107 weight 1.000 ! spec=noesy200ms, no=985, id=361, vol=2.482000e+05
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name  HE1) 4.455 2.481 2.481 weight 1.000 ! spec=noesy200ms, no=989, id=362, vol=2.204000e+04
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HB2) 2.794 0.976 0.976 weight 1.000 ! spec=noesy200ms, no=990, id=363, vol=3.623000e+05
assign (segid "   A" and resid    4 and name  HE3) (segid "   A" and resid    4 and name  HB2) 3.269 1.336 1.336 weight 1.000 ! spec=noesy200ms, no=991, id=364, vol=1.413000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB2) 3.407 1.451 1.451 weight 1.000 ! spec=noesy200ms, no=992, id=365, vol=1.103000e+05
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HN) 2.669 0.891 0.891 weight 1.000 ! spec=noesy200ms, no=996, id=367, vol=4.768000e+05
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name  HB1) 2.743 0.941 0.941 weight 1.000 ! spec=noesy200ms, no=1001, id=368, vol=4.043000e+05
assign (segid "   A" and resid    4 and name  HE3) (segid "   A" and resid    4 and name  HB1) 3.259 1.328 1.328 weight 1.000 ! spec=noesy200ms, no=1002, id=369, vol=1.439000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB1) 3.315 1.373 1.373 weight 1.000 ! spec=noesy200ms, no=1003, id=370, vol=1.300000e+05
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HN) 2.642 0.873 0.873 weight 1.000 ! spec=noesy200ms, no=1007, id=372, vol=5.064000e+05
assign (segid "   A" and resid   11 and name  HG2) (segid "   A" and resid   11 and name   HN) 3.063 1.173 1.173 weight 1.000 ! spec=noesy200ms, no=1013, id=374, vol=2.087000e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HG1) 2.922 1.067 1.067 weight 1.000 ! spec=noesy200ms, no=1014, id=375, vol=2.771000e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HG1) 2.612 0.853 0.853 weight 1.000 ! spec=noesy200ms, no=1015, id=376, vol=5.427000e+05
assign (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name   HN) 2.858 1.021 1.021 weight 1.000 ! spec=noesy200ms, no=1019, id=378, vol=3.163000e+05
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    4 and name   HN) 2.818 0.993 0.993 weight 1.000 ! spec=noesy200ms, no=1022, id=379, vol=3.441000e+05
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    4 and name   HN)
    or (segid "   A" and resid    3 and name  HB3) (segid "   A" and resid    4 and name   HN)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HN) 2.270 0.644 0.644 weight 1.000 ! spec=noesy200ms, no=1023, id=380, vol=1.259000e+06
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name   HN)
    or (segid "   A" and resid    3 and name  HB3) (segid "   A" and resid    3 and name   HN)
assign (segid "   A" and resid    9 and name HD12) (segid "   A" and resid    9 and name  HB2) 2.533 0.802 0.802 weight 1.000 ! spec=noesy200ms, no=1025, id=382, vol=6.522000e+05
    or (segid "   A" and resid    9 and name HD11) (segid "   A" and resid    9 and name  HB2)
    or (segid "   A" and resid    9 and name HD13) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HN) 2.456 0.754 0.754 weight 1.000 ! spec=noesy200ms, no=1029, id=384, vol=7.851000e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   10 and name   HN) 2.865 1.026 1.026 weight 1.000 ! spec=noesy200ms, no=1030, id=385, vol=3.116000e+05
assign (segid "   A" and resid    9 and name HD12) (segid "   A" and resid    9 and name  HB1) 2.552 0.814 0.814 weight 1.000 ! spec=noesy200ms, no=1032, id=387, vol=6.234000e+05
    or (segid "   A" and resid    9 and name HD11) (segid "   A" and resid    9 and name  HB1)
    or (segid "   A" and resid    9 and name HD13) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HN) 2.660 0.884 0.884 weight 1.000 ! spec=noesy200ms, no=1036, id=390, vol=4.868000e+05
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   10 and name   HN) 2.633 0.867 0.867 weight 1.000 ! spec=noesy200ms, no=1037, id=391, vol=5.173000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name   HN) 2.853 1.017 1.017 weight 1.000 ! spec=noesy200ms, no=1040, id=392, vol=3.199000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HD1) 3.123 1.219 1.219 weight 1.000 ! spec=noesy200ms, no=1045, id=393, vol=1.857000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HE3) 3.224 1.299 1.299 weight 1.000 ! spec=noesy200ms, no=1046, id=394, vol=1.536000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name   HN) 2.750 0.945 0.945 weight 1.000 ! spec=noesy200ms, no=1047, id=395, vol=3.984000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2) 2.840 1.008 1.008 weight 1.000 ! spec=noesy200ms, no=1048, id=396, vol=3.289000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1) 2.990 1.117 1.117 weight 1.000 ! spec=noesy200ms, no=1049, id=397, vol=2.415000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name   HN) 2.613 0.854 0.854 weight 1.000 ! spec=noesy200ms, no=1051, id=398, vol=5.412000e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.401 0.721 0.721 weight 1.000 ! spec=noesy200ms, no=1052, id=399, vol=9.000000e+05
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB3)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   11 and name   HN) 3.119 1.216 1.216 weight 1.000 ! spec=noesy200ms, no=1054, id=400, vol=1.871000e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=noesy200ms, no=1055, id=401, vol=6.438000e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HA2) 2.485 0.772 0.772 weight 1.000 ! spec=noesy200ms, no=1056, id=402, vol=7.326000e+05
assign (segid "   A" and resid   30 and name  HA2) (segid "   A" and resid   30 and name   HN) 2.238 0.626 0.626 weight 1.000 ! spec=noesy200ms, no=1059, id=404, vol=1.372000e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD12) 3.206 1.285 1.285 weight 1.000 ! spec=noesy200ms, no=1060, id=405, vol=1.588000e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD13)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG12) 3.656 1.671 1.671 weight 1.000 ! spec=noesy200ms, no=1061, id=406, vol=7.222000e+04
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG11) 3.549 1.575 1.575 weight 1.000 ! spec=noesy200ms, no=1062, id=407, vol=8.626000e+04
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name   HN) 2.556 0.817 0.817 weight 1.000 ! spec=noesy200ms, no=1063, id=408, vol=6.181000e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG22) 2.795 0.977 0.977 weight 1.000 ! spec=noesy200ms, no=1064, id=409, vol=3.615000e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG21)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HG23)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name   HB) 3.192 1.274 1.274 weight 1.000 ! spec=noesy200ms, no=1065, id=410, vol=1.629000e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name   HN) 2.159 0.582 0.582 weight 1.000 ! spec=noesy200ms, no=1067, id=411, vol=1.704000e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name   HN) 2.536 0.804 0.804 weight 1.000 ! spec=noesy200ms, no=1071, id=412, vol=6.476000e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2) 2.269 0.644 0.644 weight 1.000 ! spec=noesy200ms, no=1072, id=413, vol=1.263000e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HN) 2.413 0.728 0.728 weight 1.000 ! spec=noesy200ms, no=1074, id=414, vol=8.731000e+05
assign (segid "   A" and resid   19 and name  HA1) (segid "   A" and resid   19 and name   HN) 2.604 0.848 0.848 weight 1.000 ! spec=noesy200ms, no=1077, id=416, vol=5.525000e+05
assign (segid "   A" and resid   19 and name  HA1) (segid "   A" and resid   20 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=noesy200ms, no=1078, id=417, vol=2.462000e+05
assign (segid "   A" and resid   19 and name  HA1) (segid "   A" and resid   22 and name   HN) 3.768 1.775 1.775 weight 1.000 ! spec=noesy200ms, no=1079, id=418, vol=6.026000e+04
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   19 and name   HN) 2.405 0.723 0.723 weight 1.000 ! spec=noesy200ms, no=1082, id=420, vol=8.904000e+05
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   20 and name   HN) 2.650 0.878 0.878 weight 1.000 ! spec=noesy200ms, no=1083, id=421, vol=4.973000e+05
assign (segid "   A" and resid   19 and name  HA2) (segid "   A" and resid   22 and name   HN) 3.824 1.828 1.828 weight 1.000 ! spec=noesy200ms, no=1084, id=422, vol=5.514000e+04
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB2) 2.376 0.705 0.705 weight 1.000 ! spec=noesy200ms, no=1088, id=423, vol=9.591000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name   HN) 2.583 0.834 0.834 weight 1.000 ! spec=noesy200ms, no=1090, id=424, vol=5.799000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name   HN) 2.949 1.087 1.087 weight 1.000 ! spec=noesy200ms, no=1091, id=425, vol=2.620000e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name   HN) 2.380 0.708 0.708 weight 1.000 ! spec=noesy200ms, no=1092, id=426, vol=9.497000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name   HN) 2.833 1.003 1.003 weight 1.000 ! spec=noesy200ms, no=1096, id=427, vol=3.338000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.361 0.697 0.697 weight 1.000 ! spec=noesy200ms, no=1097, id=428, vol=9.945000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.951 1.089 1.089 weight 1.000 ! spec=noesy200ms, no=1098, id=429, vol=2.609000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name   HN) 2.862 1.024 1.024 weight 1.000 ! spec=noesy200ms, no=1100, id=430, vol=3.140000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name   HN) 2.303 0.663 0.663 weight 1.000 ! spec=noesy200ms, no=1104, id=431, vol=1.157000e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.540 0.806 0.806 weight 1.000 ! spec=noesy200ms, no=1106, id=432, vol=6.427000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   37 and name   HN) 2.778 0.965 0.965 weight 1.000 ! spec=noesy200ms, no=1108, id=433, vol=3.749000e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB2) 2.444 0.746 0.746 weight 1.000 ! spec=noesy200ms, no=1112, id=434, vol=8.098000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HA) 2.390 0.714 0.714 weight 1.000 ! spec=noesy200ms, no=1113, id=435, vol=9.253000e+05
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2) 2.391 0.714 0.714 weight 1.000 ! spec=noesy200ms, no=1116, id=436, vol=9.237000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB3)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    4 and name   HN) 2.626 0.862 0.862 weight 1.000 ! spec=noesy200ms, no=1118, id=437, vol=5.259000e+05
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name   HN) 2.694 0.907 0.907 weight 1.000 ! spec=noesy200ms, no=1119, id=438, vol=4.511000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HG2) 2.901 1.052 1.052 weight 1.000 ! spec=noesy200ms, no=1120, id=439, vol=2.894000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HG1) 3.066 1.175 1.175 weight 1.000 ! spec=noesy200ms, no=1121, id=440, vol=2.077000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.058 1.169 1.169 weight 1.000 ! spec=noesy200ms, no=1122, id=441, vol=2.109000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.610 0.851 0.851 weight 1.000 ! spec=noesy200ms, no=1123, id=442, vol=5.456000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=noesy200ms, no=1125, id=443, vol=5.933000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB1) 2.856 1.020 1.020 weight 1.000 ! spec=noesy200ms, no=1126, id=444, vol=3.174000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.233 0.433 3.767 weight 1.000 ! spec=noesy200ms, no=1127, id=445, vol=1.389000e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   23 and name   HN) 3.022 1.142 1.142 weight 1.000 ! spec=noesy200ms, no=1129, id=446, vol=2.262000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name   HN) 2.492 0.777 0.777 weight 1.000 ! spec=noesy200ms, no=1130, id=447, vol=7.190000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name   HN) 3.222 1.298 1.298 weight 1.000 ! spec=noesy200ms, no=1131, id=448, vol=1.541000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HE1) 3.596 1.617 1.617 weight 1.000 ! spec=noesy200ms, no=1137, id=449, vol=7.968000e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HD2) 3.068 1.177 1.177 weight 1.000 ! spec=noesy200ms, no=1138, id=450, vol=2.067000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name   HN) 2.632 0.866 0.866 weight 1.000 ! spec=noesy200ms, no=1139, id=451, vol=5.180000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name   HN) 2.783 0.968 0.968 weight 1.000 ! spec=noesy200ms, no=1140, id=452, vol=3.707000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 3.119 1.216 1.216 weight 1.000 ! spec=noesy200ms, no=1141, id=453, vol=1.872000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2) 3.740 1.748 1.748 weight 1.000 ! spec=noesy200ms, no=1142, id=454, vol=6.302000e+04
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    8 and name   HA) 2.446 0.748 0.748 weight 1.000 ! spec=noesy200ms, no=1144, id=455, vol=8.057000e+05
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name   HN) 2.577 0.830 0.830 weight 1.000 ! spec=noesy200ms, no=1147, id=457, vol=5.880000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    9 and name   HN) 2.986 1.115 1.115 weight 1.000 ! spec=noesy200ms, no=1148, id=458, vol=2.430000e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 3.019 1.139 1.139 weight 1.000 ! spec=noesy200ms, no=1149, id=459, vol=2.277000e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 3.187 1.270 1.270 weight 1.000 ! spec=noesy200ms, no=1150, id=460, vol=1.644000e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG2) 3.875 1.877 1.877 weight 1.000 ! spec=noesy200ms, no=1151, id=461, vol=5.089000e+04
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG1) 3.792 1.798 1.798 weight 1.000 ! spec=noesy200ms, no=1152, id=462, vol=5.795000e+04
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name   HN) 2.646 0.875 0.875 weight 1.000 ! spec=noesy200ms, no=1154, id=463, vol=5.022000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HD1) 3.043 1.158 1.158 weight 1.000 ! spec=noesy200ms, no=1156, id=464, vol=2.170000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.510 0.788 0.788 weight 1.000 ! spec=noesy200ms, no=1158, id=465, vol=6.887000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 3.239 1.311 1.311 weight 1.000 ! spec=noesy200ms, no=1159, id=466, vol=1.494000e+05
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   41 and name  HB1) 2.337 0.683 0.683 weight 1.000 ! spec=noesy200ms, no=1164, id=467, vol=1.057000e+06
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   42 and name   HN) 2.750 0.945 0.945 weight 1.000 ! spec=noesy200ms, no=1167, id=468, vol=3.989000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name HG21) 2.285 0.653 0.653 weight 1.000 ! spec=noesy200ms, no=1168, id=469, vol=1.212000e+06
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name HG22)
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HB1) 3.123 1.219 1.219 weight 1.000 ! spec=noesy200ms, no=1173, id=470, vol=1.857000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HB2) 3.161 1.249 1.249 weight 1.000 ! spec=noesy200ms, no=1174, id=471, vol=1.728000e+05
assign (segid "   A" and resid    9 and name   HG) (segid "   A" and resid    9 and name   HA) 3.413 1.456 1.456 weight 1.000 ! spec=noesy200ms, no=1175, id=472, vol=1.091000e+05
assign (segid "   A" and resid    9 and name HD12) (segid "   A" and resid    9 and name   HA) 2.438 0.743 0.743 weight 1.000 ! spec=noesy200ms, no=1176, id=473, vol=8.205000e+05
    or (segid "   A" and resid    9 and name HD11) (segid "   A" and resid    9 and name   HA)
    or (segid "   A" and resid    9 and name HD13) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB2) 2.881 1.038 1.038 weight 1.000 ! spec=noesy200ms, no=1177, id=474, vol=3.015000e+05
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HA) 2.832 1.002 1.002 weight 1.000 ! spec=noesy200ms, no=1178, id=475, vol=3.345000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name   HN) 2.556 0.817 0.817 weight 1.000 ! spec=noesy200ms, no=1180, id=476, vol=6.181000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HA1) 3.028 1.146 1.146 weight 1.000 ! spec=noesy200ms, no=1181, id=477, vol=2.236000e+05
assign (segid "   A" and resid   15 and name  HA1) (segid "   A" and resid   15 and name   HN) 2.463 0.758 0.758 weight 1.000 ! spec=noesy200ms, no=1184, id=479, vol=7.725000e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   26 and name   HN) 2.537 0.804 0.804 weight 1.000 ! spec=noesy200ms, no=1199, id=486, vol=6.473000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 2.575 0.829 0.829 weight 1.000 ! spec=noesy200ms, no=1208, id=492, vol=5.908000e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   23 and name   HN) 2.967 1.100 1.100 weight 1.000 ! spec=noesy200ms, no=1235, id=504, vol=2.527000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=noesy200ms, no=1242, id=508, vol=9.208000e+05
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid    9 and name   HN) 3.406 1.450 1.450 weight 1.000 ! spec=noesy200ms, no=1250, id=511, vol=1.105000e+05
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid    9 and name   HN)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid    9 and name HD12) (segid "   A" and resid    9 and name   HN) 3.336 1.391 1.391 weight 1.000 ! spec=noesy200ms, no=1252, id=513, vol=1.250000e+05
    or (segid "   A" and resid    9 and name HD11) (segid "   A" and resid    9 and name   HN)
    or (segid "   A" and resid    9 and name HD13) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HN) 2.473 0.764 0.764 weight 1.000 ! spec=noesy200ms, no=1258, id=518, vol=7.542000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=noesy200ms, no=1266, id=523, vol=5.514000e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name   HN) 2.857 1.020 1.020 weight 1.000 ! spec=noesy200ms, no=1268, id=524, vol=3.170000e+05
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   40 and name   HN) 3.386 1.434 1.434 weight 1.000 ! spec=noesy200ms, no=1270, id=526, vol=1.143000e+05
assign (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   20 and name   HN) 2.940 1.081 1.081 weight 1.000 ! spec=noesy200ms, no=1274, id=528, vol=2.667000e+05
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   20 and name   HN)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 2.316 0.671 0.671 weight 1.000 ! spec=noesy200ms, no=1281, id=531, vol=1.117000e+06
assign (segid "   A" and resid    4 and name  HD1) (segid "   A" and resid    4 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=noesy200ms, no=1286, id=532, vol=2.893000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HN) 2.706 0.915 0.915 weight 1.000 ! spec=noesy200ms, no=1288, id=533, vol=4.392000e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HN) 2.828 1.000 1.000 weight 1.000 ! spec=noesy200ms, no=1296, id=538, vol=3.369000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=noesy200ms, no=1300, id=539, vol=6.433000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 3.249 1.320 1.320 weight 1.000 ! spec=noesy200ms, no=1307, id=544, vol=1.465000e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB2) 2.570 0.826 0.826 weight 1.000 ! spec=noesy200ms, no=1324, id=552, vol=5.985000e+05
assign (segid "   A" and resid   40 and name  HB2) (segid "   A" and resid   41 and name   HN) 4.074 2.074 2.074 weight 1.000 ! spec=noesy200ms, no=1325, id=553, vol=3.772000e+04
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=noesy200ms, no=1329, id=555, vol=4.943000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 2.441 0.745 0.745 weight 1.000 ! spec=noesy200ms, no=1335, id=559, vol=8.159000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=noesy200ms, no=1336, id=560, vol=7.953000e+05
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name   HN) 2.943 1.083 1.083 weight 1.000 ! spec=noesy200ms, no=1342, id=561, vol=2.652000e+05
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HN) 2.688 0.903 0.903 weight 1.000 ! spec=noesy200ms, no=1345, id=563, vol=4.575000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN) 2.456 0.754 0.754 weight 1.000 ! spec=noesy200ms, no=1346, id=564, vol=7.860000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name   HN) 2.670 0.891 0.891 weight 1.000 ! spec=noesy200ms, no=1347, id=565, vol=4.754000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 2.435 0.741 0.741 weight 1.000 ! spec=noesy200ms, no=1361, id=572, vol=8.261000e+05
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   34 and name   HN) 3.424 1.465 1.465 weight 1.000 ! spec=noesy200ms, no=1365, id=574, vol=1.070000e+05
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   24 and name   HN) 2.628 0.863 0.863 weight 1.000 ! spec=noesy200ms, no=1375, id=580, vol=5.233000e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=noesy200ms, no=1384, id=584, vol=5.642000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HN) 2.227 0.620 0.620 weight 1.000 ! spec=noesy200ms, no=1390, id=587, vol=1.412000e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.772 0.960 0.960 weight 1.000 ! spec=noesy200ms, no=1396, id=590, vol=3.802000e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HN) 2.658 0.883 0.883 weight 1.000 ! spec=noesy200ms, no=1401, id=593, vol=4.887000e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HN) 3.045 1.159 1.159 weight 1.000 ! spec=noesy200ms, no=1407, id=595, vol=2.164000e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB2) 3.098 1.200 1.200 weight 1.000 ! spec=noesy200ms, no=1413, id=598, vol=1.950000e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB2) 3.904 1.906 1.906 weight 1.000 ! spec=noesy200ms, no=1415, id=599, vol=4.866000e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 2.839 1.007 1.007 weight 1.000 ! spec=noesy200ms, no=1430, id=604, vol=3.293000e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HN) 2.611 0.852 0.852 weight 1.000 ! spec=noesy200ms, no=1440, id=609, vol=5.446000e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1) 3.200 1.280 1.280 weight 1.000 ! spec=noesy200ms, no=1445, id=610, vol=1.607000e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HA) 2.573 0.828 0.828 weight 1.000 ! spec=noesy200ms, no=1447, id=611, vol=5.935000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HD1) 3.065 1.175 1.175 weight 1.000 ! spec=noesy200ms, no=1454, id=612, vol=2.078000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HE3) 2.976 1.107 1.107 weight 1.000 ! spec=noesy200ms, no=1455, id=613, vol=2.483000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1) 2.385 0.711 0.711 weight 1.000 ! spec=noesy200ms, no=1456, id=614, vol=9.376000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    9 and name   HN) 3.242 1.314 1.314 weight 1.000 ! spec=noesy200ms, no=1458, id=615, vol=1.484000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name   HN) 2.759 0.952 0.952 weight 1.000 ! spec=noesy200ms, no=1459, id=616, vol=3.905000e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB2) 2.591 0.839 0.839 weight 1.000 ! spec=noesy200ms, no=1463, id=617, vol=5.694000e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB1) 2.577 0.830 0.830 weight 1.000 ! spec=noesy200ms, no=1464, id=618, vol=5.887000e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HN) 2.589 0.838 0.838 weight 1.000 ! spec=noesy200ms, no=1466, id=619, vol=5.722000e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HN) 2.573 0.828 0.828 weight 1.000 ! spec=noesy200ms, no=1470, id=620, vol=5.936000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HN) 2.564 0.822 0.822 weight 1.000 ! spec=noesy200ms, no=1475, id=624, vol=6.069000e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.621 0.859 0.859 weight 1.000 ! spec=noesy200ms, no=1476, id=625, vol=5.319000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HE3) 3.537 1.564 1.564 weight 1.000 ! spec=noesy200ms, no=1479, id=626, vol=8.800000e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name   HN) 3.947 1.948 1.948 weight 1.000 ! spec=noesy200ms, no=1481, id=627, vol=4.557000e+04
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    6 and name  HD1) 3.349 1.402 1.402 weight 1.000 ! spec=noesy200ms, no=1495, id=629, vol=1.222000e+05
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    6 and name  HD1)
    or (segid "   A" and resid    3 and name  HB3) (segid "   A" and resid    6 and name  HD1)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    9 and name   HN) 3.550 1.575 1.575 weight 1.000 ! spec=noesy200ms, no=1505, id=630, vol=8.618000e+04
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=noesy200ms, no=1506, id=631, vol=2.118000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.956 1.092 1.092 weight 1.000 ! spec=noesy200ms, no=1510, id=632, vol=2.583000e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name  HB3)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name   HN) 3.114 1.314 2.886 weight 1.000 ! spec=noesy200ms, no=1511, id=633, vol=1.889000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   10 and name   HN) 3.841 1.844 1.844 weight 1.000 ! spec=noesy200ms, no=1512, id=634, vol=5.369000e+04
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name   HN) 2.870 1.029 1.029 weight 1.000 ! spec=noesy200ms, no=1514, id=635, vol=3.088000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB1) 3.612 1.631 1.631 weight 1.000 ! spec=noesy200ms, no=1519, id=637, vol=7.767000e+04
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   12 and name   HN) 3.869 1.871 1.871 weight 1.000 ! spec=noesy200ms, no=1521, id=638, vol=5.142000e+04
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   26 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=noesy200ms, no=1524, id=639, vol=2.808000e+05
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid   25 and name   HN) 4.185 2.190 2.190 weight 1.000 ! spec=noesy200ms, no=1526, id=640, vol=3.207000e+04
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   25 and name   HN) 3.996 1.996 1.996 weight 1.000 ! spec=noesy200ms, no=1529, id=641, vol=4.235000e+04
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   12 and name   HN) 4.258 2.266 2.266 weight 1.000 ! spec=noesy200ms, no=1530, id=642, vol=2.894000e+04
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   12 and name   HN)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   19 and name   HN) 3.713 1.723 1.723 weight 1.000 ! spec=noesy200ms, no=1531, id=643, vol=6.581000e+04
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   23 and name   HN) 2.855 1.055 3.145 weight 1.000 ! spec=noesy200ms, no=1538, id=644, vol=3.181000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    9 and name   HN) 3.591 1.611 1.611 weight 1.000 ! spec=noesy200ms, no=1539, id=645, vol=8.046000e+04
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    8 and name   HN) 3.275 1.340 1.340 weight 1.000 ! spec=noesy200ms, no=1540, id=646, vol=1.398000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    9 and name  HB2) 3.334 1.389 1.389 weight 1.000 ! spec=noesy200ms, no=1542, id=647, vol=1.256000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    9 and name  HB1) 3.315 1.374 1.374 weight 1.000 ! spec=noesy200ms, no=1544, id=648, vol=1.299000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    9 and name   HG) 4.081 2.082 2.082 weight 1.000 ! spec=noesy200ms, no=1546, id=649, vol=3.733000e+04
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB1) 3.144 1.235 1.235 weight 1.000 ! spec=noesy200ms, no=1554, id=650, vol=1.786000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.244 1.316 1.316 weight 1.000 ! spec=noesy200ms, no=1555, id=651, vol=1.478000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    9 and name   HN) 3.445 1.484 1.484 weight 1.000 ! spec=noesy200ms, no=1558, id=652, vol=1.031000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name   HN) 2.499 0.781 0.781 weight 1.000 ! spec=noesy200ms, no=1563, id=653, vol=7.081000e+05
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid   24 and name  HG2) 3.371 1.420 1.420 weight 1.000 ! spec=noesy200ms, no=1574, id=654, vol=1.175000e+05
assign (segid "   A" and resid    8 and name   HB) (segid "   A" and resid   24 and name  HG1) 3.704 1.715 1.715 weight 1.000 ! spec=noesy200ms, no=1576, id=655, vol=6.681000e+04
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   14 and name   HN) 3.472 1.507 1.507 weight 1.000 ! spec=noesy200ms, no=1589, id=656, vol=9.838000e+04
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid    9 and name   HN) 3.913 1.914 1.914 weight 1.000 ! spec=noesy200ms, no=1591, id=657, vol=4.799000e+04
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name   HN) 3.875 1.877 1.877 weight 1.000 ! spec=noesy200ms, no=1600, id=658, vol=5.089000e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name  HB1) 3.191 1.391 2.809 weight 1.000 ! spec=noesy200ms, no=1610, id=659, vol=1.634000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   12 and name   HN) 3.480 1.514 1.514 weight 1.000 ! spec=noesy200ms, no=1611, id=660, vol=9.705000e+04
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   22 and name  HB1) 3.035 1.151 1.151 weight 1.000 ! spec=noesy200ms, no=1616, id=661, vol=2.207000e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   30 and name  HA2) 3.642 1.658 1.658 weight 1.000 ! spec=noesy200ms, no=1632, id=662, vol=7.387000e+04
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid    8 and name HG21) 2.801 0.980 0.980 weight 1.000 ! spec=noesy200ms, no=1633, id=663, vol=3.573000e+05
    or (segid "   A" and resid   20 and name   HB) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   20 and name   HB) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid    8 and name HG21) 3.271 1.337 1.337 weight 1.000 ! spec=noesy200ms, no=1634, id=664, vol=1.408000e+05
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid    9 and name HD12) 3.565 1.589 1.589 weight 1.000 ! spec=noesy200ms, no=1635, id=665, vol=8.393000e+04
    or (segid "   A" and resid   20 and name   HB) (segid "   A" and resid    9 and name HD11)
    or (segid "   A" and resid   20 and name   HB) (segid "   A" and resid    9 and name HD13)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name HG21) 3.590 1.611 1.611 weight 1.000 ! spec=noesy200ms, no=1637, id=666, vol=8.054000e+04
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   22 and name   HN) 3.434 1.474 1.474 weight 1.000 ! spec=noesy200ms, no=1645, id=667, vol=1.052000e+05
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   23 and name   HN) 4.142 2.144 2.144 weight 1.000 ! spec=noesy200ms, no=1657, id=668, vol=3.416000e+04
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    8 and name   HN) 3.427 1.468 1.468 weight 1.000 ! spec=noesy200ms, no=1665, id=669, vol=1.065000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HE1) 4.386 2.405 2.405 weight 1.000 ! spec=noesy200ms, no=1694, id=671, vol=2.421000e+04
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HE1) 4.234 2.241 2.241 weight 1.000 ! spec=noesy200ms, no=1695, id=672, vol=2.993000e+04
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HG) 4.023 2.023 2.023 weight 1.000 ! spec=noesy200ms, no=1706, id=673, vol=4.068000e+04
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB2) 3.857 1.859 1.859 weight 1.000 ! spec=noesy200ms, no=1713, id=674, vol=5.238000e+04
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB3)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    6 and name   HN) 3.765 1.772 1.772 weight 1.000 ! spec=noesy200ms, no=1715, id=675, vol=6.053000e+04
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    6 and name   HN)
    or (segid "   A" and resid    3 and name  HB3) (segid "   A" and resid    6 and name   HN)
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid    8 and name HG21) 3.075 1.182 1.182 weight 1.000 ! spec=noesy200ms, no=1721, id=676, vol=2.038000e+05
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid    8 and name HG21) 2.961 1.096 1.096 weight 1.000 ! spec=noesy200ms, no=1722, id=677, vol=2.559000e+05
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid    8 and name HG21) 3.158 1.247 1.247 weight 1.000 ! spec=noesy200ms, no=1724, id=678, vol=1.738000e+05
    or (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   24 and name  HG2) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid    8 and name HG21) 3.750 1.758 1.758 weight 1.000 ! spec=noesy200ms, no=1725, id=679, vol=6.200000e+04
    or (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   24 and name  HG1) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid    8 and name HG21) 3.421 1.463 1.463 weight 1.000 ! spec=noesy200ms, no=1727, id=680, vol=1.075000e+05
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid    8 and name HG22)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid    8 and name HG23)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB2) 3.285 1.349 1.349 weight 1.000 ! spec=noesy200ms, no=1770, id=681, vol=1.372000e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.697 0.909 0.909 weight 1.000 ! spec=noesy200ms, no=1772, id=682, vol=4.478000e+05
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   20 and name HG21) 2.102 0.552 0.552 weight 1.000 ! spec=noesy200ms, no=1774, id=683, vol=1.999000e+06
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   20 and name HG22)
    or (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   20 and name HG23)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   20 and name HG22)
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   20 and name HG23)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   20 and name HG21)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   20 and name HG22)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   20 and name HG23)
assign (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   24 and name  HG1) 4.227 2.234 2.234 weight 1.000 ! spec=noesy200ms, no=1786, id=688, vol=3.021000e+04
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   24 and name  HG1)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   24 and name  HG1)
assign (segid "   A" and resid   20 and name HG21) (segid "   A" and resid   24 and name  HG2) 3.778 1.784 1.784 weight 1.000 ! spec=noesy200ms, no=1787, id=689, vol=5.933000e+04
    or (segid "   A" and resid   20 and name HG22) (segid "   A" and resid   24 and name  HG2)
    or (segid "   A" and resid   20 and name HG23) (segid "   A" and resid   24 and name  HG2)
assign (segid "   A" and resid    8 and name HG21) (segid "   A" and resid   12 and name  HB1) 3.586 1.608 1.608 weight 1.000 ! spec=noesy200ms, no=1788, id=690, vol=8.101000e+04
    or (segid "   A" and resid    8 and name HG22) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid    8 and name HG23) (segid "   A" and resid   12 and name  HB1)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name   HN) 3.078 1.184 1.184 weight 1.000 ! spec=noesy200ms, no=1798, id=692, vol=2.028000e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   28 and name   HN) 3.000 1.125 1.125 weight 1.000 ! spec=noesy200ms, no=1799, id=693, vol=2.365000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   23 and name  HB2) 3.130 1.224 1.224 weight 1.000 ! spec=noesy200ms, no=1808, id=694, vol=1.835000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   23 and name  HB1) 2.739 0.938 0.938 weight 1.000 ! spec=noesy200ms, no=1809, id=695, vol=4.081000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HB2) 3.114 1.212 1.212 weight 1.000 ! spec=noesy200ms, no=1810, id=696, vol=1.891000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HB1) 3.089 1.192 1.192 weight 1.000 ! spec=noesy200ms, no=1811, id=697, vol=1.986000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name  HB2) 3.518 1.547 1.547 weight 1.000 ! spec=noesy200ms, no=1814, id=698, vol=9.099000e+04
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name  HB1) 3.328 1.385 1.385 weight 1.000 ! spec=noesy200ms, no=1815, id=699, vol=1.268000e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   28 and name  HB2) 3.253 1.323 1.323 weight 1.000 ! spec=noesy200ms, no=1816, id=700, vol=1.455000e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   29 and name  HB1) 3.580 1.602 1.602 weight 1.000 ! spec=noesy200ms, no=1817, id=701, vol=8.187000e+04
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.960 1.095 1.095 weight 1.000 ! spec=noesy200ms, no=1818, id=702, vol=2.565000e+05
assign (segid "   A" and resid   20 and name   HB) (segid "   A" and resid   19 and name   HN) 3.987 1.987 1.987 weight 1.000 ! spec=noesy200ms, no=1823, id=703, vol=4.291000e+04
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   13 and name   HN) 2.935 1.077 1.077 weight 1.000 ! spec=noesy200ms, no=1826, id=704, vol=2.699000e+05

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1  -9.417 -16.843  -5.615
    2    H2   LYS   1           HT2      LYS   1 -10.271 -17.664  -4.372
    3    H3   LYS   1           HT3      LYS   1  -8.816 -18.325  -4.997
    4    HA   LYS   1           HA       LYS   1  -8.446 -17.339  -2.881
    5    HB2  LYS   1           HB2      LYS   1  -6.562 -15.970  -3.541
    6    HB3  LYS   1           HB1      LYS   1  -6.723 -17.308  -4.669
    7    HG2  LYS   1           HG2      LYS   1  -8.185 -14.951  -5.528
    8    HG3  LYS   1           HG1      LYS   1  -6.459 -14.648  -5.319
    9    HD2  LYS   1           HD2      LYS   1  -6.032 -15.684  -7.239
   10    HD3  LYS   1           HD1      LYS   1  -6.785 -17.158  -6.625
   11    HE2  LYS   1           HE2      LYS   1  -8.848 -16.640  -7.554
   12    HE3  LYS   1           HE1      LYS   1  -8.475 -14.921  -7.670
   13    HZ1  LYS   1           HZ1      LYS   1  -7.514 -15.187  -9.659
   14    HZ2  LYS   1           HZ2      LYS   1  -8.361 -16.649  -9.722
   15    HZ3  LYS   1           HZ3      LYS   1  -6.743 -16.630  -9.227
   16    HA   PRO   2           HA       PRO   2 -10.896 -13.959  -1.450
   17    HB2  PRO   2           HB2      PRO   2  -8.342 -13.050  -0.197
   18    HB3  PRO   2           HB1      PRO   2  -9.941 -13.247   0.528
   19    HG2  PRO   2           HG2      PRO   2  -8.038 -15.050   0.963
   20    HG3  PRO   2           HG1      PRO   2  -9.720 -15.552   0.709
   21    HD2  PRO   2           HD2      PRO   2  -7.392 -15.713  -1.147
   22    HD3  PRO   2           HD1      PRO   2  -8.770 -16.816  -0.965
   23    H    ALA   3           HN       ALA   3 -10.710 -11.481  -1.238
   24    HA   ALA   3           HA       ALA   3  -8.855 -10.099  -2.893
   25    HB1  ALA   3           HB1      ALA   3 -10.396 -11.311  -4.541
   26    HB2  ALA   3           HB2      ALA   3 -10.133  -9.583  -4.779
   27    HB3  ALA   3           HB3      ALA   3 -11.628 -10.153  -4.038
   28    H    TRP   4           HN       TRP   4  -8.867  -9.017  -0.799
   29    HA   TRP   4           HA       TRP   4 -11.135  -7.167  -0.488
   30    HB2  TRP   4           HB2      TRP   4 -10.063  -6.959   1.905
   31    HB3  TRP   4           HB1      TRP   4 -11.131  -8.304   1.521
   32    HD1  TRP   4           HD1      TRP   4 -10.094 -10.723   1.520
   33    HE1  TRP   4           HE1      TRP   4  -7.819 -11.668   2.266
   34    HE3  TRP   4           HE3      TRP   4  -7.516  -6.336   2.003
   35    HZ2  TRP   4           HZ2      TRP   4  -5.268 -10.681   2.967
   36    HZ3  TRP   4           HZ3      TRP   4  -5.163  -6.424   2.717
   37    HH2  TRP   4           HH2      TRP   4  -4.064  -8.552   3.188
   38    H    CYS   5           HN       CYS   5  -7.698  -7.472  -0.868
   39    HA   CYS   5           HA       CYS   5  -6.910  -4.903  -0.047
   40    HB2  CYS   5           HB2      CYS   5  -5.725  -7.141  -1.478
   41    HB3  CYS   5           HB1      CYS   5  -5.177  -5.593  -2.111
   42    H    TRP   6           HN       TRP   6  -6.616  -5.815  -3.450
   43    HA   TRP   6           HA       TRP   6  -6.844  -3.285  -4.480
   44    HB2  TRP   6           HB2      TRP   6  -7.409  -4.320  -6.625
   45    HB3  TRP   6           HB1      TRP   6  -6.101  -5.175  -5.814
   46    HD1  TRP   6           HD1      TRP   6  -6.506  -7.641  -5.132
   47    HE1  TRP   6           HE1      TRP   6  -8.394  -9.336  -5.615
   48    HE3  TRP   6           HE3      TRP   6 -10.008  -4.411  -6.910
   49    HZ2  TRP   6           HZ2      TRP   6 -11.043  -9.283  -6.620
   50    HZ3  TRP   6           HZ3      TRP   6 -12.201  -5.295  -7.613
   51    HH2  TRP   6           HH2      TRP   6 -12.705  -7.682  -7.468
   52    H    TYR   7           HN       TYR   7  -9.385  -5.475  -3.511
   53    HA   TYR   7           HA       TYR   7 -11.579  -4.274  -4.742
   54    HB2  TYR   7           HB2      TYR   7 -11.381  -6.435  -3.251
   55    HB3  TYR   7           HB1      TYR   7 -11.798  -5.332  -1.944
   56    HD1  TYR   7           HD1      TYR   7 -13.052  -5.284  -5.437
   57    HD2  TYR   7           HD2      TYR   7 -13.955  -6.048  -1.353
   58    HE1  TYR   7           HE1      TYR   7 -15.432  -5.522  -6.015
   59    HE2  TYR   7           HE2      TYR   7 -16.336  -6.290  -1.918
   60    HH   TYR   7           HH       TYR   7 -17.447  -6.578  -5.120
   61    H    THR   8           HN       THR   8 -10.089  -3.629  -1.606
   62    HA   THR   8           HA       THR   8 -11.787  -1.592  -0.737
   63    HB   THR   8           HB       THR   8  -8.883  -2.203  -0.194
   64    HG1  THR   8           HG1      THR   8  -9.767  -2.793   1.830
   65   HG21  THR   8          HG21      THR   8 -10.191   0.275   0.411
   66   HG22  THR   8          HG22      THR   8  -8.534  -0.231   0.745
   67   HG23  THR   8          HG23      THR   8  -9.820  -0.602   1.896
   68    H    LEU   9           HN       LEU   9  -9.082  -1.574  -2.953
   69    HA   LEU   9           HA       LEU   9  -8.952   1.298  -3.135
   70    HB2  LEU   9           HB2      LEU   9  -7.657  -0.942  -4.669
   71    HB3  LEU   9           HB1      LEU   9  -7.439   0.740  -5.111
   72    HG   LEU   9           HG       LEU   9  -5.613  -0.302  -3.695
   73   HD11  LEU   9          HD11      LEU   9  -6.157   1.844  -1.978
   74   HD12  LEU   9          HD12      LEU   9  -6.862   2.277  -3.536
   75   HD13  LEU   9          HD13      LEU   9  -5.154   1.852  -3.427
   76   HD21  LEU   9          HD21      LEU   9  -7.606   0.066  -1.466
   77   HD22  LEU   9          HD22      LEU   9  -5.971  -0.591  -1.362
   78   HD23  LEU   9          HD23      LEU   9  -7.234  -1.495  -2.198
   79    H    ALA  10           HN       ALA  10 -10.278  -1.332  -5.087
   80    HA   ALA  10           HA       ALA  10 -10.944  -0.017  -7.401
   81    HB1  ALA  10           HB1      ALA  10 -13.117  -1.736  -6.588
   82    HB2  ALA  10           HB2      ALA  10 -11.552  -2.479  -6.261
   83    HB3  ALA  10           HB3      ALA  10 -11.948  -1.939  -7.892
   84    H    MET  11           HN       MET  11 -12.944  -0.247  -4.459
   85    HA   MET  11           HA       MET  11 -15.040   1.374  -5.431
   86    HB2  MET  11           HB2      MET  11 -14.405  -0.014  -3.014
   87    HB3  MET  11           HB1      MET  11 -14.896   1.624  -2.604
   88    HG2  MET  11           HG2      MET  11 -16.805   0.952  -4.404
   89    HG3  MET  11           HG1      MET  11 -16.471  -0.613  -3.658
   90    HE1  MET  11           HE1      MET  11 -18.622  -0.952  -1.252
   91    HE2  MET  11           HE2      MET  11 -18.486  -1.021  -3.010
   92    HE3  MET  11           HE3      MET  11 -19.651   0.069  -2.257
   93    H    CYS  12           HN       CYS  12 -11.949   2.113  -4.066
   94    HA   CYS  12           HA       CYS  12 -12.402   4.685  -3.081
   95    HB2  CYS  12           HB2      CYS  12 -10.187   3.028  -3.450
   96    HB3  CYS  12           HB1      CYS  12  -9.828   4.461  -4.407
   97    H    GLY  13           HN       GLY  13 -10.858   3.931  -6.209
   98    HA2  GLY  13           HA2      GLY  13 -11.731   4.843  -8.278
   99    HA3  GLY  13           HA1      GLY  13 -12.309   6.226  -7.361
  100    H    ALA  14           HN       ALA  14 -10.402   7.342  -6.104
  101    HA   ALA  14           HA       ALA  14  -7.807   7.281  -7.191
  102    HB1  ALA  14           HB1      ALA  14  -8.039   9.615  -8.312
  103    HB2  ALA  14           HB2      ALA  14  -9.738   9.169  -8.468
  104    HB3  ALA  14           HB3      ALA  14  -8.491   8.167  -9.211
  105    H    GLY  15           HN       GLY  15  -8.800   7.382  -4.623
  106    HA2  GLY  15           HA2      GLY  15  -8.425  10.145  -3.713
  107    HA3  GLY  15           HA1      GLY  15  -9.052   8.818  -2.748
  108    H    TYR  16           HN       TYR  16  -6.971  10.677  -2.029
  109    HA   TYR  16           HA       TYR  16  -4.747   8.775  -1.702
  110    HB2  TYR  16           HB2      TYR  16  -4.732  11.599  -2.584
  111    HB3  TYR  16           HB1      TYR  16  -3.483  11.143  -1.431
  112    HD1  TYR  16           HD1      TYR  16  -5.039   9.496  -4.408
  113    HD2  TYR  16           HD2      TYR  16  -1.463  10.734  -2.466
  114    HE1  TYR  16           HE1      TYR  16  -3.717   8.531  -6.242
  115    HE2  TYR  16           HE2      TYR  16  -0.130   9.774  -4.295
  116    HH   TYR  16           HH       TYR  16  -0.657   9.259  -6.884
  117    H    ASP  17           HN       ASP  17  -7.170   9.725  -0.027
  118    HA   ASP  17           HA       ASP  17  -6.070   9.375   2.490
  119    HB2  ASP  17           HB2      ASP  17  -6.386  11.769   3.358
  120    HB3  ASP  17           HB1      ASP  17  -4.937  11.442   2.412
  121    H    SER  18           HN       SER  18  -7.923   8.139   2.727
  122    HA   SER  18           HA       SER  18 -10.373   9.690   3.207
  123    HB2  SER  18           HB2      SER  18  -9.974   7.628   1.219
  124    HB3  SER  18           HB1      SER  18 -11.227   7.155   2.366
  125    H    GLY  19           HN       GLY  19  -9.729   6.202   3.411
  126    HA2  GLY  19           HA2      GLY  19  -9.395   6.206   6.248
  127    HA3  GLY  19           HA1      GLY  19 -11.034   5.764   5.799
  128    H    THR  20           HN       THR  20 -11.258   3.935   4.265
  129    HA   THR  20           HA       THR  20  -9.852   1.683   5.197
  130    HB   THR  20           HB       THR  20 -11.209   1.571   2.553
  131    HG1  THR  20           HG1      THR  20 -13.209   1.845   3.450
  132   HG21  THR  20          HG21      THR  20 -11.763  -0.083   4.989
  133   HG22  THR  20          HG22      THR  20 -10.428  -0.442   3.893
  134   HG23  THR  20          HG23      THR  20 -12.088  -0.461   3.297
  135    H    CYS  21           HN       CYS  21  -9.751   3.287   2.018
  136    HA   CYS  21           HA       CYS  21  -7.812   1.732   0.821
  137    HB2  CYS  21           HB2      CYS  21  -8.115   4.719   0.466
  138    HB3  CYS  21           HB1      CYS  21  -7.427   3.581  -0.689
  139    H    ASP  22           HN       ASP  22  -7.140   4.950   2.209
  140    HA   ASP  22           HA       ASP  22  -4.421   4.906   2.152
  141    HB2  ASP  22           HB2      ASP  22  -6.310   6.569   3.248
  142    HB3  ASP  22           HB1      ASP  22  -5.439   6.009   4.673
  143    H    TYR  23           HN       TYR  23  -6.475   3.107   4.305
  144    HA   TYR  23           HA       TYR  23  -4.230   2.365   6.009
  145    HB2  TYR  23           HB2      TYR  23  -6.691   2.835   6.768
  146    HB3  TYR  23           HB1      TYR  23  -6.966   1.169   6.266
  147    HD1  TYR  23           HD1      TYR  23  -4.063   2.763   7.984
  148    HD2  TYR  23           HD2      TYR  23  -7.204  -0.099   8.194
  149    HE1  TYR  23           HE1      TYR  23  -3.190   1.974  10.144
  150    HE2  TYR  23           HE2      TYR  23  -6.340  -0.896  10.356
  151    HH   TYR  23           HH       TYR  23  -4.087  -0.901  11.549
  152    H    MET  24           HN       MET  24  -6.806   0.416   4.485
  153    HA   MET  24           HA       MET  24  -5.480  -1.991   4.518
  154    HB2  MET  24           HB2      MET  24  -7.734  -0.812   3.014
  155    HB3  MET  24           HB1      MET  24  -7.016  -2.255   2.327
  156    HG2  MET  24           HG2      MET  24  -8.902  -2.806   3.752
  157    HG3  MET  24           HG1      MET  24  -7.400  -3.455   4.412
  158    HE1  MET  24           HE1      MET  24 -10.223  -2.685   6.745
  159    HE2  MET  24           HE2      MET  24 -10.435  -2.401   5.017
  160    HE3  MET  24           HE3      MET  24 -10.535  -1.054   6.151
  161    H    TYR  25           HN       TYR  25  -5.503   0.486   1.972
  162    HA   TYR  25           HA       TYR  25  -4.039  -0.892   0.040
  163    HB2  TYR  25           HB2      TYR  25  -5.218   1.359  -0.168
  164    HB3  TYR  25           HB1      TYR  25  -3.786   2.068   0.556
  165    HD1  TYR  25           HD1      TYR  25  -4.127  -0.640  -1.988
  166    HD2  TYR  25           HD2      TYR  25  -2.727   3.281  -1.115
  167    HE1  TYR  25           HE1      TYR  25  -3.063  -0.534  -4.202
  168    HE2  TYR  25           HE2      TYR  25  -1.660   3.399  -3.327
  169    HH   TYR  25           HH       TYR  25  -1.027   2.186  -5.138
  170    H    SER  26           HN       SER  26  -2.764   1.620   2.211
  171    HA   SER  26           HA       SER  26  -0.087   1.321   1.755
  172    HB2  SER  26           HB2      SER  26  -1.622   2.089   4.210
  173    HB3  SER  26           HB1      SER  26   0.133   1.950   4.285
  174    HG   SER  26           HG       SER  26  -0.991   4.064   3.637
  175    H    HIS  27           HN       HIS  27  -1.923  -0.403   4.283
  176    HA   HIS  27           HA       HIS  27   0.185  -2.004   5.186
  177    HB2  HIS  27           HB2      HIS  27  -2.770  -2.063   5.391
  178    HB3  HIS  27           HB1      HIS  27  -1.944  -3.589   5.684
  179    HD1  HIS  27           HD1      HIS  27  -2.513  -0.218   7.145
  180    HD2  HIS  27           HD2      HIS  27  -0.328  -3.648   8.001
  181    HE1  HIS  27           HE1      HIS  27  -1.743   0.051   9.524
  182    HE2  HIS  27           HE2      HIS  27  -0.352  -1.996   9.990
  183    H    CYS  28           HN       CYS  28  -2.090  -2.438   2.539
  184    HA   CYS  28           HA       CYS  28  -1.714  -5.101   1.927
  185    HB2  CYS  28           HB2      CYS  28  -3.256  -3.377   0.808
  186    HB3  CYS  28           HB1      CYS  28  -1.874  -2.980  -0.207
  187    H    PHE  29           HN       PHE  29   0.395  -2.376   1.326
  188    HA   PHE  29           HA       PHE  29   2.322  -4.160   0.012
  189    HB2  PHE  29           HB2      PHE  29   1.703  -1.270  -0.264
  190    HB3  PHE  29           HB1      PHE  29   3.388  -1.749  -0.442
  191    HD1  PHE  29           HD2      PHE  29   3.743  -3.849  -2.028
  192    HD2  PHE  29           HD1      PHE  29   0.398  -1.221  -2.147
  193    HE1  PHE  29           HE2      PHE  29   3.309  -4.512  -4.357
  194    HE2  PHE  29           HE1      PHE  29  -0.042  -1.879  -4.476
  195    HZ   PHE  29           HZ       PHE  29   1.419  -3.520  -5.587
  196    H    GLY  30           HN       GLY  30   2.573  -1.193   1.915
  197    HA2  GLY  30           HA2      GLY  30   3.869  -0.648   3.734
  198    HA3  GLY  30           HA1      GLY  30   3.853  -2.357   4.140
  199    H    ILE  31           HN       ILE  31   6.067  -0.699   4.577
  200    HA   ILE  31           HA       ILE  31   8.031  -2.069   2.906
  201    HB   ILE  31           HB       ILE  31   9.359   0.069   2.722
  202   HG12  ILE  31          HG12      ILE  31   7.946   1.266   4.456
  203   HG13  ILE  31          HG11      ILE  31   8.280   2.176   2.986
  204   HG21  ILE  31          HG21      ILE  31   8.002  -1.020   0.892
  205   HG22  ILE  31          HG22      ILE  31   8.337   0.700   0.687
  206   HG23  ILE  31          HG23      ILE  31   6.748   0.171   1.236
  207   HD11  ILE  31          HD11      ILE  31   6.117   2.483   2.683
  208   HD12  ILE  31          HD12      ILE  31   5.785   1.580   4.162
  209   HD13  ILE  31          HD13      ILE  31   5.861   0.740   2.613
  210    H    LYS  32           HN       LYS  32   7.791  -3.050   5.233
  211    HA   LYS  32           HA       LYS  32   8.599  -3.358   7.347
  212    HB2  LYS  32           HB2      LYS  32  11.207  -2.223   6.440
  213    HB3  LYS  32           HB1      LYS  32  10.879  -3.674   7.374
  214    HG2  LYS  32           HG2      LYS  32  11.337  -4.766   5.487
  215    HG3  LYS  32           HG1      LYS  32   9.718  -4.278   4.982
  216    HD2  LYS  32           HD2      LYS  32  10.784  -2.174   4.061
  217    HD3  LYS  32           HD1      LYS  32  12.344  -2.956   4.333
  218    HE2  LYS  32           HE2      LYS  32  11.899  -4.640   2.765
  219    HE3  LYS  32           HE1      LYS  32  10.171  -4.293   2.753
  220    HZ1  LYS  32           HZ1      LYS  32  12.363  -2.794   1.472
  221    HZ2  LYS  32           HZ2      LYS  32  10.899  -2.027   1.832
  222    HZ3  LYS  32           HZ3      LYS  32  10.921  -3.360   0.791
  223    H    HIS  33           HN       HIS  33   7.204  -1.047   7.380
  224    HA   HIS  33           HA       HIS  33   8.839   0.658   9.134
  225    HB2  HIS  33           HB2      HIS  33   7.629   1.403   6.657
  226    HB3  HIS  33           HB1      HIS  33   6.790   2.245   7.956
  227    HD1  HIS  33           HD1      HIS  33  10.500   1.480   7.607
  228    HD2  HIS  33           HD2      HIS  33   7.910   4.713   7.935
  229    HE1  HIS  33           HE1      HIS  33  11.976   3.511   7.759
  230    HE2  HIS  33           HE2      HIS  33  10.386   5.461   7.896
  231    H    HIS  34           HN       HIS  34   7.022  -1.533   9.752
  232    HA   HIS  34           HA       HIS  34   4.671  -0.239  10.875
  233    HB2  HIS  34           HB2      HIS  34   5.518  -3.134  11.082
  234    HB3  HIS  34           HB1      HIS  34   3.929  -2.471  11.452
  235    HD1  HIS  34           HD1      HIS  34   5.250  -4.501   9.040
  236    HD2  HIS  34           HD2      HIS  34   3.180  -0.907   8.779
  237    HE1  HIS  34           HE1      HIS  34   4.291  -4.445   6.716
  238    HE2  HIS  34           HE2      HIS  34   3.107  -2.227   6.556
  239    H    SER  35           HN       SER  35   4.140  -0.332  13.115
  240    HA   SER  35           HA       SER  35   6.147   0.453  14.853
  241    HB2  SER  35           HB2      SER  35   4.517   0.139  16.655
  242    HB3  SER  35           HB1      SER  35   3.744   0.867  15.248
  243    HG   SER  35           HG       SER  35   3.140  -1.423  16.495
  244    H    SER  36           HN       SER  36   7.917  -0.861  14.971
  245    HA   SER  36           HA       SER  36   7.820  -3.055  16.760
  246    HB2  SER  36           HB2      SER  36   7.632  -3.640  13.881
  247    HB3  SER  36           HB1      SER  36   8.908  -4.522  14.719
  248    HG   SER  36           HG       SER  36   6.188  -4.417  15.527
  249    H    GLY  37           HN       GLY  37   9.769  -2.165  13.900
  250    HA2  GLY  37           HA2      GLY  37  11.830  -0.839  15.085
  251    HA3  GLY  37           HA1      GLY  37  12.222  -2.530  15.363
  252    H    SER  38           HN       SER  38  13.798  -0.733  13.847
  253    HA   SER  38           HA       SER  38  13.348  -0.996  11.067
  254    HB2  SER  38           HB2      SER  38  15.473   0.032  12.810
  255    HB3  SER  38           HB1      SER  38  16.068  -0.649  11.296
  256    HG   SER  38           HG       SER  38  15.205   0.956  10.236
  257    H    SER  39           HN       SER  39  15.495  -1.949   9.834
  258    HA   SER  39           HA       SER  39  15.196  -4.785  10.110
  259    HB2  SER  39           HB2      SER  39  16.758  -2.996   8.267
  260    HB3  SER  39           HB1      SER  39  17.037  -4.738   8.273
  261    HG   SER  39           HG       SER  39  15.401  -3.892   6.759
  262    H    SER  40           HN       SER  40  18.093  -2.699  10.171
  263    HA   SER  40           HA       SER  40  19.136  -4.095  12.464
  264    HB2  SER  40           HB2      SER  40  21.115  -4.992  11.435
  265    HB3  SER  40           HB1      SER  40  19.727  -5.583  10.521
  266    HG   SER  40           HG       SER  40  21.604  -4.678   9.314
  267    H    TYR  41           HN       TYR  41  18.737  -1.733  12.949
  268    HA   TYR  41           HA       TYR  41  20.965  -0.043  12.049
  269    HB2  TYR  41           HB2      TYR  41  18.408   0.625  11.970
  270    HB3  TYR  41           HB1      TYR  41  18.689   1.034  13.659
  271    HD1  TYR  41           HD2      TYR  41  20.795   2.553  14.098
  272    HD2  TYR  41           HD1      TYR  41  18.808   2.227  10.350
  273    HE1  TYR  41           HE2      TYR  41  21.735   4.721  13.419
  274    HE2  TYR  41           HE1      TYR  41  19.744   4.395   9.659
  275    HH   TYR  41           HH       TYR  41  21.847   5.788  10.319
  276    H    HIS  42           HN       HIS  42  22.336   0.949  13.502
  277    HA   HIS  42           HA       HIS  42  23.642   1.052  15.365
  278    HB2  HIS  42           HB2      HIS  42  21.159   1.994  16.026
  279    HB3  HIS  42           HB1      HIS  42  21.410   0.763  17.259
  280    HD1  HIS  42           HD1      HIS  42  24.090   1.043  18.275
  281    HD2  HIS  42           HD2      HIS  42  22.009   4.380  16.934
  282    HE1  HIS  42           HE1      HIS  42  25.209   3.016  19.363
  283    HE2  HIS  42           HE2      HIS  42  23.902   5.021  18.575
  284    H    CYS  43           HN       CYS  43  24.588  -1.010  15.008
  285    HA   CYS  43           HA       CYS  43  23.540  -3.438  15.945
  286    HB2  CYS  43           HB2      CYS  43  25.364  -3.366  14.335
  287    HB3  CYS  43           HB1      CYS  43  26.419  -2.609  15.523
  288    H1   NAG  44           H1       NAG  44 -11.954   7.328  -0.095
  289    H2   NAG  44           H2       NAG  44 -14.039   9.129   1.037
  290    H3   NAG  44           H3       NAG  44 -14.157   8.098  -1.834
  291    H4   NAG  44           H4       NAG  44 -14.680  10.913  -0.800
  292    H5   NAG  44           H5       NAG  44 -12.216  11.026  -2.065
  293    H61  NAG  44           H61      NAG  44 -13.092  10.972   0.815
  294    H62  NAG  44           H62      NAG  44 -11.354  10.923   0.454
  295    H81  NAG  44           H81      NAG  44 -15.265   4.824   1.226
  296    H82  NAG  44           H82      NAG  44 -15.074   4.146  -0.416
  297    H83  NAG  44           H83      NAG  44 -13.723   4.062   0.747
  298    HN2  NAG  44           HN2      NAG  44 -14.717   6.968   1.534
  299    HO3  NAG  44           HO3      NAG  44 -16.128   7.788  -0.708
  300    HO4  NAG  44           HO4      NAG  44 -15.335  10.745  -2.866
  301    HO6  NAG  44           HO6      NAG  44 -12.865  12.827  -0.946
  302    H1   NAG  45           H1       NAG  45  27.805  -4.399  14.266
  303    H2   NAG  45           H2       NAG  45  28.468  -6.881  15.912
  304    H3   NAG  45           H3       NAG  45  30.091  -5.354  13.826
  305    H4   NAG  45           H4       NAG  45  28.872  -8.159  13.750
  306    H5   NAG  45           H5       NAG  45  28.155  -5.639  12.176
  307    H61  NAG  45           H61      NAG  45  26.497  -8.148  12.254
  308    H62  NAG  45           H62      NAG  45  27.917  -8.109  11.186
  309    H81  NAG  45           H81      NAG  45  31.407  -3.310  17.303
  310    H82  NAG  45           H82      NAG  45  30.490  -1.919  16.663
  311    H83  NAG  45           H83      NAG  45  29.780  -2.945  17.941
  312    HN2  NAG  45           HN2      NAG  45  29.454  -5.307  17.301
  313    HO3  NAG  45           HO3      NAG  45  31.694  -6.582  14.506
  314    HO4  NAG  45           HO4      NAG  45  30.150  -8.401  12.072
  315    HO6  NAG  45           HO6      NAG  45  26.982  -6.573   9.972
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  -4.834 -17.280   2.841
    2    H2   LYS   1           HT2      LYS   1  -6.318 -16.963   3.642
    3    H3   LYS   1           HT3      LYS   1  -4.918 -17.362   4.551
    4    HA   LYS   1           HA       LYS   1  -5.270 -15.072   4.733
    5    HB2  LYS   1           HB2      LYS   1  -2.955 -16.215   4.101
    6    HB3  LYS   1           HB1      LYS   1  -3.119 -15.211   2.667
    7    HG2  LYS   1           HG2      LYS   1  -3.222 -13.219   4.017
    8    HG3  LYS   1           HG1      LYS   1  -3.208 -14.184   5.495
    9    HD2  LYS   1           HD2      LYS   1  -0.980 -14.802   5.216
   10    HD3  LYS   1           HD1      LYS   1  -0.990 -14.416   3.494
   11    HE2  LYS   1           HE2      LYS   1  -1.096 -12.052   3.987
   12    HE3  LYS   1           HE1      LYS   1  -1.220 -12.387   5.713
   13    HZ1  LYS   1           HZ1      LYS   1   1.071 -13.640   4.589
   14    HZ2  LYS   1           HZ2      LYS   1   0.974 -12.535   5.866
   15    HZ3  LYS   1           HZ3      LYS   1   1.086 -11.977   4.274
   16    HA   PRO   2           HA       PRO   2  -7.858 -13.905   1.113
   17    HB2  PRO   2           HB2      PRO   2  -8.473 -11.732   3.047
   18    HB3  PRO   2           HB1      PRO   2  -9.570 -12.718   2.074
   19    HG2  PRO   2           HG2      PRO   2  -9.311 -13.147   4.691
   20    HG3  PRO   2           HG1      PRO   2  -9.499 -14.498   3.557
   21    HD2  PRO   2           HD2      PRO   2  -7.043 -13.511   4.941
   22    HD3  PRO   2           HD1      PRO   2  -7.534 -15.174   4.563
   23    H    ALA   3           HN       ALA   3  -7.664 -12.220  -0.364
   24    HA   ALA   3           HA       ALA   3  -5.745 -10.089   0.236
   25    HB1  ALA   3           HB1      ALA   3  -5.371 -12.271  -1.694
   26    HB2  ALA   3           HB2      ALA   3  -4.182 -11.247  -0.891
   27    HB3  ALA   3           HB3      ALA   3  -5.035 -10.656  -2.317
   28    H    TRP   4           HN       TRP   4  -7.755  -8.860   0.315
   29    HA   TRP   4           HA       TRP   4  -8.867  -8.302  -2.350
   30    HB2  TRP   4           HB2      TRP   4 -10.730  -7.214  -0.871
   31    HB3  TRP   4           HB1      TRP   4 -10.704  -8.955  -1.107
   32    HD1  TRP   4           HD1      TRP   4 -10.002 -10.462   0.995
   33    HE1  TRP   4           HE1      TRP   4  -9.986  -9.972   3.523
   34    HE3  TRP   4           HE3      TRP   4 -10.319  -5.372   0.824
   35    HZ2  TRP   4           HZ2      TRP   4 -10.095  -7.716   5.219
   36    HZ3  TRP   4           HZ3      TRP   4 -10.360  -4.117   2.941
   37    HH2  TRP   4           HH2      TRP   4 -10.250  -5.267   5.093
   38    H    CYS   5           HN       CYS   5  -6.402  -7.175  -1.397
   39    HA   CYS   5           HA       CYS   5  -6.573  -4.649  -0.287
   40    HB2  CYS   5           HB2      CYS   5  -4.689  -5.444  -2.514
   41    HB3  CYS   5           HB1      CYS   5  -4.437  -4.179  -1.317
   42    H    TRP   6           HN       TRP   6  -6.174  -5.205  -3.793
   43    HA   TRP   6           HA       TRP   6  -6.828  -2.679  -4.639
   44    HB2  TRP   6           HB2      TRP   6  -7.202  -3.576  -6.808
   45    HB3  TRP   6           HB1      TRP   6  -5.944  -4.552  -6.056
   46    HD1  TRP   6           HD1      TRP   6  -6.624  -7.029  -5.290
   47    HE1  TRP   6           HE1      TRP   6  -8.479  -8.613  -6.138
   48    HE3  TRP   6           HE3      TRP   6  -9.536  -3.605  -7.666
   49    HZ2  TRP   6           HZ2      TRP   6 -10.882  -8.410  -7.629
   50    HZ3  TRP   6           HZ3      TRP   6 -11.601  -4.362  -8.783
   51    HH2  TRP   6           HH2      TRP   6 -12.257  -6.716  -8.762
   52    H    TYR   7           HN       TYR   7  -8.932  -5.235  -3.579
   53    HA   TYR   7           HA       TYR   7 -11.382  -4.356  -4.580
   54    HB2  TYR   7           HB2      TYR   7 -10.494  -6.295  -2.721
   55    HB3  TYR   7           HB1      TYR   7 -11.697  -5.320  -1.882
   56    HD1  TYR   7           HD1      TYR   7 -11.574  -6.209  -5.481
   57    HD2  TYR   7           HD2      TYR   7 -13.545  -6.757  -1.753
   58    HE1  TYR   7           HE1      TYR   7 -13.362  -7.460  -6.618
   59    HE2  TYR   7           HE2      TYR   7 -15.340  -8.009  -2.877
   60    HH   TYR   7           HH       TYR   7 -16.305  -8.308  -5.033
   61    H    THR   8           HN       THR   8  -9.739  -3.561  -1.545
   62    HA   THR   8           HA       THR   8 -11.612  -1.782  -0.502
   63    HB   THR   8           HB       THR   8  -8.612  -1.969  -0.219
   64    HG1  THR   8           HG1      THR   8 -10.825  -2.660   1.395
   65   HG21  THR   8          HG21      THR   8  -9.585  -0.557   1.981
   66   HG22  THR   8          HG22      THR   8 -10.229   0.269   0.561
   67   HG23  THR   8          HG23      THR   8  -8.490   0.025   0.728
   68    H    LEU   9           HN       LEU   9  -9.092  -1.354  -2.900
   69    HA   LEU   9           HA       LEU   9  -9.301   1.488  -3.058
   70    HB2  LEU   9           HB2      LEU   9  -8.111  -0.600  -4.870
   71    HB3  LEU   9           HB1      LEU   9  -8.103   1.105  -5.279
   72    HG   LEU   9           HG       LEU   9  -5.992   0.160  -4.219
   73   HD11  LEU   9          HD11      LEU   9  -7.229   2.483  -2.761
   74   HD12  LEU   9          HD12      LEU   9  -6.610   2.583  -4.408
   75   HD13  LEU   9          HD13      LEU   9  -5.519   2.188  -3.080
   76   HD21  LEU   9          HD21      LEU   9  -7.718   0.294  -1.747
   77   HD22  LEU   9          HD22      LEU   9  -5.979   0.001  -1.784
   78   HD23  LEU   9          HD23      LEU   9  -7.087  -1.177  -2.491
   79    H    ALA  10           HN       ALA  10 -10.668  -1.197  -4.923
   80    HA   ALA  10           HA       ALA  10 -11.941   0.376  -6.887
   81    HB1  ALA  10           HB1      ALA  10 -12.408  -1.616  -7.751
   82    HB2  ALA  10           HB2      ALA  10 -13.401  -2.043  -6.357
   83    HB3  ALA  10           HB3      ALA  10 -11.666  -2.354  -6.332
   84    H    MET  11           HN       MET  11 -13.205  -1.096  -3.899
   85    HA   MET  11           HA       MET  11 -15.812  -0.050  -4.148
   86    HB2  MET  11           HB2      MET  11 -16.163  -0.771  -1.900
   87    HB3  MET  11           HB1      MET  11 -15.117  -1.957  -2.667
   88    HG2  MET  11           HG2      MET  11 -13.820  -1.742  -0.874
   89    HG3  MET  11           HG1      MET  11 -13.325  -0.194  -1.562
   90    HE1  MET  11           HE1      MET  11 -15.912  -1.005   2.073
   91    HE2  MET  11           HE2      MET  11 -14.280  -1.622   1.811
   92    HE3  MET  11           HE3      MET  11 -15.594  -2.120   0.743
   93    H    CYS  12           HN       CYS  12 -12.842   1.360  -3.103
   94    HA   CYS  12           HA       CYS  12 -13.587   3.319  -1.337
   95    HB2  CYS  12           HB2      CYS  12 -11.334   2.761  -2.875
   96    HB3  CYS  12           HB1      CYS  12 -11.793   4.390  -3.358
   97    H    GLY  13           HN       GLY  13 -13.683   5.744  -1.856
   98    HA2  GLY  13           HA2      GLY  13 -15.928   6.122  -3.669
   99    HA3  GLY  13           HA1      GLY  13 -15.318   7.290  -2.508
  100    H    ALA  14           HN       ALA  14 -13.834   5.552  -5.245
  101    HA   ALA  14           HA       ALA  14 -12.797   6.307  -7.130
  102    HB1  ALA  14           HB1      ALA  14 -13.499   8.277  -8.147
  103    HB2  ALA  14           HB2      ALA  14 -13.798   9.082  -6.606
  104    HB3  ALA  14           HB3      ALA  14 -14.887   7.813  -7.165
  105    H    GLY  15           HN       GLY  15 -12.675   9.178  -5.013
  106    HA2  GLY  15           HA2      GLY  15  -9.943   9.688  -5.560
  107    HA3  GLY  15           HA1      GLY  15 -10.885  10.409  -4.263
  108    H    TYR  16           HN       TYR  16  -8.476  10.066  -3.481
  109    HA   TYR  16           HA       TYR  16  -8.399   7.493  -2.046
  110    HB2  TYR  16           HB2      TYR  16  -5.869   8.022  -1.910
  111    HB3  TYR  16           HB1      TYR  16  -6.519   7.428  -3.434
  112    HD1  TYR  16           HD2      TYR  16  -5.209  10.376  -1.669
  113    HD2  TYR  16           HD1      TYR  16  -6.582   8.833  -5.388
  114    HE1  TYR  16           HE2      TYR  16  -4.293  12.347  -2.818
  115    HE2  TYR  16           HE1      TYR  16  -5.669  10.799  -6.548
  116    HH   TYR  16           HH       TYR  16  -4.793  13.590  -5.024
  117    H    ASP  17           HN       ASP  17  -6.903   7.719  -0.024
  118    HA   ASP  17           HA       ASP  17  -6.653   8.542   2.080
  119    HB2  ASP  17           HB2      ASP  17  -5.507  10.368   0.745
  120    HB3  ASP  17           HB1      ASP  17  -7.007  11.283   0.863
  121    H    SER  18           HN       SER  18  -8.930   7.533   2.130
  122    HA   SER  18           HA       SER  18 -10.795   9.581   3.127
  123    HB2  SER  18           HB2      SER  18 -11.222   7.463   1.126
  124    HB3  SER  18           HB1      SER  18 -12.467   7.558   2.371
  125    H    GLY  19           HN       GLY  19  -9.778   6.188   3.299
  126    HA2  GLY  19           HA2      GLY  19  -9.811   6.114   6.110
  127    HA3  GLY  19           HA1      GLY  19 -11.328   5.452   5.522
  128    H    THR  20           HN       THR  20 -11.287   3.546   4.228
  129    HA   THR  20           HA       THR  20  -9.393   1.633   5.105
  130    HB   THR  20           HB       THR  20 -11.040   1.112   2.679
  131    HG1  THR  20           HG1      THR  20 -12.905   0.966   3.933
  132   HG21  THR  20          HG21      THR  20 -10.960  -1.010   3.324
  133   HG22  THR  20          HG22      THR  20 -11.374  -0.609   4.991
  134   HG23  THR  20          HG23      THR  20  -9.700  -0.499   4.446
  135    H    CYS  21           HN       CYS  21  -9.714   3.546   2.183
  136    HA   CYS  21           HA       CYS  21  -8.031   2.224   0.454
  137    HB2  CYS  21           HB2      CYS  21  -9.015   4.953   0.757
  138    HB3  CYS  21           HB1      CYS  21  -7.426   4.888   0.002
  139    H    ASP  22           HN       ASP  22  -6.979   5.023   2.400
  140    HA   ASP  22           HA       ASP  22  -4.250   4.632   1.996
  141    HB2  ASP  22           HB2      ASP  22  -5.766   6.555   3.195
  142    HB3  ASP  22           HB1      ASP  22  -4.979   5.821   4.588
  143    H    TYR  23           HN       TYR  23  -6.423   3.089   4.223
  144    HA   TYR  23           HA       TYR  23  -4.315   2.082   5.919
  145    HB2  TYR  23           HB2      TYR  23  -6.557   2.564   6.830
  146    HB3  TYR  23           HB1      TYR  23  -7.239   1.312   5.798
  147    HD1  TYR  23           HD1      TYR  23  -4.721   1.818   8.497
  148    HD2  TYR  23           HD2      TYR  23  -7.408  -0.871   6.588
  149    HE1  TYR  23           HE1      TYR  23  -4.283   0.147  10.248
  150    HE2  TYR  23           HE2      TYR  23  -6.980  -2.548   8.334
  151    HH   TYR  23           HH       TYR  23  -6.060  -2.206  11.032
  152    H    MET  24           HN       MET  24  -6.851   0.269   4.204
  153    HA   MET  24           HA       MET  24  -5.588  -2.167   4.134
  154    HB2  MET  24           HB2      MET  24  -7.877  -0.977   2.937
  155    HB3  MET  24           HB1      MET  24  -7.014  -1.856   1.682
  156    HG2  MET  24           HG2      MET  24  -7.376  -3.273   4.239
  157    HG3  MET  24           HG1      MET  24  -8.836  -2.968   3.298
  158    HE1  MET  24           HE1      MET  24  -6.077  -5.913   3.583
  159    HE2  MET  24           HE2      MET  24  -5.431  -4.273   3.558
  160    HE3  MET  24           HE3      MET  24  -5.157  -5.350   2.188
  161    H    TYR  25           HN       TYR  25  -5.548   0.295   1.555
  162    HA   TYR  25           HA       TYR  25  -3.923  -1.003  -0.257
  163    HB2  TYR  25           HB2      TYR  25  -5.134   1.279  -0.419
  164    HB3  TYR  25           HB1      TYR  25  -3.650   1.948   0.243
  165    HD1  TYR  25           HD1      TYR  25  -4.042  -0.838  -2.191
  166    HD2  TYR  25           HD2      TYR  25  -2.762   3.168  -1.548
  167    HE1  TYR  25           HE1      TYR  25  -3.072  -0.792  -4.449
  168    HE2  TYR  25           HE2      TYR  25  -1.789   3.226  -3.806
  169    HH   TYR  25           HH       TYR  25  -0.871   1.276  -5.465
  170    H    SER  26           HN       SER  26  -2.765   1.515   1.981
  171    HA   SER  26           HA       SER  26  -0.059   1.133   1.620
  172    HB2  SER  26           HB2      SER  26  -1.288   2.942   2.978
  173    HB3  SER  26           HB1      SER  26  -1.208   1.804   4.323
  174    HG   SER  26           HG       SER  26   0.574   3.255   4.282
  175    H    HIS  27           HN       HIS  27  -1.926  -0.167   4.373
  176    HA   HIS  27           HA       HIS  27  -0.021  -1.745   5.525
  177    HB2  HIS  27           HB2      HIS  27  -2.666  -1.368   5.955
  178    HB3  HIS  27           HB1      HIS  27  -2.685  -3.015   5.334
  179    HD1  HIS  27           HD1      HIS  27  -2.129  -1.107   8.369
  180    HD2  HIS  27           HD2      HIS  27  -0.949  -4.806   6.891
  181    HE1  HIS  27           HE1      HIS  27  -1.334  -2.406  10.369
  182    HE2  HIS  27           HE2      HIS  27  -0.569  -4.621   9.443
  183    H    CYS  28           HN       CYS  28  -2.148  -2.674   2.832
  184    HA   CYS  28           HA       CYS  28  -1.421  -5.320   2.557
  185    HB2  CYS  28           HB2      CYS  28  -3.215  -4.246   1.255
  186    HB3  CYS  28           HB1      CYS  28  -2.009  -3.363   0.325
  187    H    PHE  29           HN       PHE  29   0.347  -2.450   1.632
  188    HA   PHE  29           HA       PHE  29   2.544  -4.174   0.689
  189    HB2  PHE  29           HB2      PHE  29   1.310  -1.805  -0.516
  190    HB3  PHE  29           HB1      PHE  29   3.065  -1.699  -0.407
  191    HD1  PHE  29           HD1      PHE  29   0.296  -3.823  -1.658
  192    HD2  PHE  29           HD2      PHE  29   4.428  -2.839  -1.919
  193    HE1  PHE  29           HE1      PHE  29   0.500  -5.230  -3.666
  194    HE2  PHE  29           HE2      PHE  29   4.639  -4.244  -3.927
  195    HZ   PHE  29           HZ       PHE  29   2.675  -5.442  -4.804
  196    H    GLY  30           HN       GLY  30   2.082  -3.372   3.407
  197    HA2  GLY  30           HA2      GLY  30   3.976  -1.237   3.941
  198    HA3  GLY  30           HA1      GLY  30   3.018  -2.102   5.130
  199    H    ILE  31           HN       ILE  31   4.657  -4.106   2.902
  200    HA   ILE  31           HA       ILE  31   7.090  -4.312   4.452
  201    HB   ILE  31           HB       ILE  31   6.655  -6.874   4.660
  202   HG12  ILE  31          HG12      ILE  31   3.850  -5.750   4.541
  203   HG13  ILE  31          HG11      ILE  31   4.542  -6.998   3.509
  204   HG21  ILE  31          HG21      ILE  31   6.221  -6.578   6.905
  205   HG22  ILE  31          HG22      ILE  31   5.111  -5.238   6.623
  206   HG23  ILE  31          HG23      ILE  31   6.849  -4.996   6.450
  207   HD11  ILE  31          HD11      ILE  31   4.861  -8.056   6.010
  208   HD12  ILE  31          HD12      ILE  31   3.550  -8.430   4.891
  209   HD13  ILE  31          HD13      ILE  31   3.321  -7.206   6.141
  210    H    LYS  32           HN       LYS  32   7.656  -3.606   2.219
  211    HA   LYS  32           HA       LYS  32   8.493  -5.905   0.682
  212    HB2  LYS  32           HB2      LYS  32   6.095  -4.792  -0.037
  213    HB3  LYS  32           HB1      LYS  32   7.220  -3.911  -1.062
  214    HG2  LYS  32           HG2      LYS  32   7.666  -6.802  -1.002
  215    HG3  LYS  32           HG1      LYS  32   6.104  -6.315  -1.662
  216    HD2  LYS  32           HD2      LYS  32   7.207  -4.843  -3.249
  217    HD3  LYS  32           HD1      LYS  32   8.779  -5.246  -2.558
  218    HE2  LYS  32           HE2      LYS  32   7.161  -7.547  -3.414
  219    HE3  LYS  32           HE1      LYS  32   7.687  -6.476  -4.713
  220    HZ1  LYS  32           HZ1      LYS  32   9.592  -7.469  -2.686
  221    HZ2  LYS  32           HZ2      LYS  32   9.914  -6.865  -4.234
  222    HZ3  LYS  32           HZ3      LYS  32   9.210  -8.392  -4.053
  223    H    HIS  33           HN       HIS  33   9.807  -3.840   2.191
  224    HA   HIS  33           HA       HIS  33  11.676  -2.550   2.041
  225    HB2  HIS  33           HB2      HIS  33  12.060  -4.377   0.122
  226    HB3  HIS  33           HB1      HIS  33  11.955  -2.944  -0.895
  227    HD1  HIS  33           HD1      HIS  33  14.194  -4.736   1.420
  228    HD2  HIS  33           HD2      HIS  33  14.017  -1.010  -0.410
  229    HE1  HIS  33           HE1      HIS  33  16.494  -3.752   1.677
  230    HE2  HIS  33           HE2      HIS  33  16.339  -1.463   0.636
  231    H    HIS  34           HN       HIS  34  10.611  -0.619   2.450
  232    HA   HIS  34           HA       HIS  34   9.393   0.881   0.311
  233    HB2  HIS  34           HB2      HIS  34   9.381   0.954   3.176
  234    HB3  HIS  34           HB1      HIS  34   9.821   2.546   2.566
  235    HD1  HIS  34           HD1      HIS  34   7.416   0.295   0.759
  236    HD2  HIS  34           HD2      HIS  34   7.369   3.713   3.120
  237    HE1  HIS  34           HE1      HIS  34   5.073   1.193   0.592
  238    HE2  HIS  34           HE2      HIS  34   5.085   3.297   1.979
  239    H    SER  35           HN       SER  35  10.744   1.670  -1.187
  240    HA   SER  35           HA       SER  35  12.417   3.841  -0.655
  241    HB2  SER  35           HB2      SER  35  13.685   1.533   0.114
  242    HB3  SER  35           HB1      SER  35  14.266   1.732  -1.539
  243    HG   SER  35           HG       SER  35  15.219   2.920   0.525
  244    H    SER  36           HN       SER  36  13.277   4.772  -2.543
  245    HA   SER  36           HA       SER  36  13.135   3.401  -5.064
  246    HB2  SER  36           HB2      SER  36  10.736   4.136  -4.517
  247    HB3  SER  36           HB1      SER  36  11.313   5.784  -4.772
  248    HG   SER  36           HG       SER  36  10.757   5.282  -6.765
  249    H    GLY  37           HN       GLY  37  13.364   5.225  -6.888
  250    HA2  GLY  37           HA2      GLY  37  14.621   7.649  -6.310
  251    HA3  GLY  37           HA1      GLY  37  15.879   6.427  -6.429
  252    H    SER  38           HN       SER  38  16.470   8.000  -8.218
  253    HA   SER  38           HA       SER  38  14.887   7.857 -10.621
  254    HB2  SER  38           HB2      SER  38  16.104   9.897 -10.214
  255    HB3  SER  38           HB1      SER  38  17.625   9.016 -10.062
  256    HG   SER  38           HG       SER  38  16.792  10.097 -12.207
  257    H    SER  39           HN       SER  39  18.091   6.664  -9.630
  258    HA   SER  39           HA       SER  39  17.817   4.533 -11.639
  259    HB2  SER  39           HB2      SER  39  19.941   6.547 -11.376
  260    HB3  SER  39           HB1      SER  39  20.534   4.890 -11.492
  261    HG   SER  39           HG       SER  39  19.883   4.791 -13.500
  262    H    SER  40           HN       SER  40  19.922   5.527  -8.931
  263    HA   SER  40           HA       SER  40  20.652   4.411  -7.088
  264    HB2  SER  40           HB2      SER  40  18.628   2.241  -7.551
  265    HB3  SER  40           HB1      SER  40  19.217   2.905  -6.027
  266    HG   SER  40           HG       SER  40  17.093   3.657  -7.493
  267    H    TYR  41           HN       TYR  41  22.372   4.039  -8.900
  268    HA   TYR  41           HA       TYR  41  22.791   1.135  -9.182
  269    HB2  TYR  41           HB2      TYR  41  23.420   3.428 -11.003
  270    HB3  TYR  41           HB1      TYR  41  24.433   1.988 -11.051
  271    HD1  TYR  41           HD1      TYR  41  22.446  -0.147 -10.629
  272    HD2  TYR  41           HD2      TYR  41  22.222   3.378 -13.000
  273    HE1  TYR  41           HE1      TYR  41  20.815  -1.249 -12.103
  274    HE2  TYR  41           HE2      TYR  41  20.590   2.287 -14.479
  275    HH   TYR  41           HH       TYR  41  20.146  -0.762 -14.799
  276    H    HIS  42           HN       HIS  42  24.970   3.919  -9.520
  277    HA   HIS  42           HA       HIS  42  26.504   2.997  -7.207
  278    HB2  HIS  42           HB2      HIS  42  27.893   3.636  -9.805
  279    HB3  HIS  42           HB1      HIS  42  28.567   2.876  -8.368
  280    HD1  HIS  42           HD1      HIS  42  27.844   0.364  -7.930
  281    HD2  HIS  42           HD2      HIS  42  26.771   1.913 -11.634
  282    HE1  HIS  42           HE1      HIS  42  27.250  -1.628  -9.346
  283    HE2  HIS  42           HE2      HIS  42  26.698  -0.672 -11.611
  284    H    CYS  43           HN       CYS  43  28.246   4.594  -6.627
  285    HA   CYS  43           HA       CYS  43  28.043   7.266  -7.623
  286    HB2  CYS  43           HB2      CYS  43  27.081   8.344  -5.716
  287    HB3  CYS  43           HB1      CYS  43  25.981   7.057  -6.197
  288    H1   NAG  44           H1       NAG  44 -13.398   9.521   2.988
  289    H2   NAG  44           H2       NAG  44 -12.070  11.698   1.437
  290    H3   NAG  44           H3       NAG  44 -13.649  13.359   2.663
  291    H4   NAG  44           H4       NAG  44 -15.964  12.603   2.917
  292    H5   NAG  44           H5       NAG  44 -15.945   9.838   2.952
  293    H61  NAG  44           H61      NAG  44 -16.631  11.683   0.625
  294    H62  NAG  44           H62      NAG  44 -17.711  11.214   1.957
  295    H81  NAG  44           H81      NAG  44 -10.204  13.568   5.343
  296    H82  NAG  44           H82      NAG  44 -11.629  12.771   6.066
  297    H83  NAG  44           H83      NAG  44 -10.289  11.787   5.416
  298    HN2  NAG  44           HN2      NAG  44 -12.070  10.756   4.114
  299    HO3  NAG  44           HO3      NAG  44 -13.801  13.410   0.505
  300    HO4  NAG  44           HO4      NAG  44 -14.520  10.605   4.289
  301    HO6  NAG  44           HO6      NAG  44 -17.614   9.972  -0.255
  302    H1   NAG  45           H1       NAG  45  25.521   4.832  -4.694
  303    H2   NAG  45           H2       NAG  45  26.081   5.035  -1.995
  304    H3   NAG  45           H3       NAG  45  23.999   5.555  -0.844
  305    H4   NAG  45           H4       NAG  45  22.218   6.817  -2.271
  306    H5   NAG  45           H5       NAG  45  22.964   5.027  -4.539
  307    H61  NAG  45           H61      NAG  45  22.058   6.750  -5.879
  308    H62  NAG  45           H62      NAG  45  22.278   7.977  -4.612
  309    H81  NAG  45           H81      NAG  45  24.029   1.368  -4.288
  310    H82  NAG  45           H82      NAG  45  25.515   0.643  -3.616
  311    H83  NAG  45           H83      NAG  45  24.193   1.140  -2.524
  312    HN2  NAG  45           HN2      NAG  45  23.733   3.507  -2.401
  313    HO3  NAG  45           HO3      NAG  45  24.549   7.599  -0.899
  314    HO4  NAG  45           HO4      NAG  45  21.275   4.728  -2.797
  315    HO6  NAG  45           HO6      NAG  45  20.059   6.901  -5.010
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1  -5.927 -17.635  -0.745
    2    H2   LYS   1           HT2      LYS   1  -6.065 -16.719   0.699
    3    H3   LYS   1           HT3      LYS   1  -4.612 -17.563   0.351
    4    HA   LYS   1           HA       LYS   1  -4.011 -15.513  -0.245
    5    HB2  LYS   1           HB2      LYS   1  -5.026 -17.185  -2.425
    6    HB3  LYS   1           HB1      LYS   1  -4.881 -15.489  -2.864
    7    HG2  LYS   1           HG2      LYS   1  -2.870 -16.762  -3.419
    8    HG3  LYS   1           HG1      LYS   1  -2.542 -15.494  -2.236
    9    HD2  LYS   1           HD2      LYS   1  -2.374 -17.039  -0.468
   10    HD3  LYS   1           HD1      LYS   1  -3.129 -18.324  -1.414
   11    HE2  LYS   1           HE2      LYS   1  -1.177 -18.946  -2.300
   12    HE3  LYS   1           HE1      LYS   1  -0.738 -17.282  -2.686
   13    HZ1  LYS   1           HZ1      LYS   1  -0.281 -18.752  -0.159
   14    HZ2  LYS   1           HZ2      LYS   1  -0.184 -17.065  -0.242
   15    HZ3  LYS   1           HZ3      LYS   1   0.862 -18.019  -1.169
   16    HA   PRO   2           HA       PRO   2  -8.062 -13.251   0.257
   17    HB2  PRO   2           HB2      PRO   2  -6.399 -11.598   2.042
   18    HB3  PRO   2           HB1      PRO   2  -7.962 -12.359   2.350
   19    HG2  PRO   2           HG2      PRO   2  -5.707 -13.270   3.481
   20    HG3  PRO   2           HG1      PRO   2  -7.013 -14.363   2.986
   21    HD2  PRO   2           HD2      PRO   2  -4.417 -13.769   1.619
   22    HD3  PRO   2           HD1      PRO   2  -5.260 -15.320   1.811
   23    H    ALA   3           HN       ALA   3  -8.086 -12.296  -1.748
   24    HA   ALA   3           HA       ALA   3  -6.134 -10.203  -2.343
   25    HB1  ALA   3           HB1      ALA   3  -7.652 -10.254  -4.546
   26    HB2  ALA   3           HB2      ALA   3  -7.965 -11.883  -3.947
   27    HB3  ALA   3           HB3      ALA   3  -6.312 -11.368  -4.278
   28    H    TRP   4           HN       TRP   4  -7.769  -9.502  -0.272
   29    HA   TRP   4           HA       TRP   4 -10.000  -7.949  -1.257
   30    HB2  TRP   4           HB2      TRP   4  -9.251  -9.075   1.221
   31    HB3  TRP   4           HB1      TRP   4  -9.312  -7.333   1.461
   32    HD1  TRP   4           HD1      TRP   4 -11.530 -10.327   0.682
   33    HE1  TRP   4           HE1      TRP   4 -13.994  -9.635   0.970
   34    HE3  TRP   4           HE3      TRP   4 -10.884  -5.301   1.332
   35    HZ2  TRP   4           HZ2      TRP   4 -15.466  -7.266   1.414
   36    HZ3  TRP   4           HZ3      TRP   4 -12.871  -3.891   1.683
   37    HH2  TRP   4           HH2      TRP   4 -15.113  -4.855   1.723
   38    H    CYS   5           HN       CYS   5  -6.730  -7.403  -1.237
   39    HA   CYS   5           HA       CYS   5  -6.483  -4.811  -0.221
   40    HB2  CYS   5           HB2      CYS   5  -4.933  -5.968  -2.545
   41    HB3  CYS   5           HB1      CYS   5  -4.423  -4.671  -1.470
   42    H    TRP   6           HN       TRP   6  -6.425  -5.569  -3.709
   43    HA   TRP   6           HA       TRP   6  -6.915  -3.052  -4.649
   44    HB2  TRP   6           HB2      TRP   6  -7.682  -4.053  -6.712
   45    HB3  TRP   6           HB1      TRP   6  -6.323  -4.971  -6.068
   46    HD1  TRP   6           HD1      TRP   6  -6.771  -7.423  -5.276
   47    HE1  TRP   6           HE1      TRP   6  -8.747  -9.050  -5.631
   48    HE3  TRP   6           HE3      TRP   6 -10.250  -4.079  -6.881
   49    HZ2  TRP   6           HZ2      TRP   6 -11.445  -8.906  -6.483
   50    HZ3  TRP   6           HZ3      TRP   6 -12.509  -4.886  -7.448
   51    HH2  TRP   6           HH2      TRP   6 -13.092  -7.250  -7.250
   52    H    TYR   7           HN       TYR   7  -9.244  -5.384  -3.443
   53    HA   TYR   7           HA       TYR   7 -11.630  -4.321  -4.313
   54    HB2  TYR   7           HB2      TYR   7 -10.763  -6.008  -2.103
   55    HB3  TYR   7           HB1      TYR   7 -12.148  -5.014  -1.666
   56    HD1  TYR   7           HD2      TYR   7 -14.193  -5.092  -3.220
   57    HD2  TYR   7           HD1      TYR   7 -11.053  -7.960  -3.346
   58    HE1  TYR   7           HE2      TYR   7 -15.687  -6.670  -4.371
   59    HE2  TYR   7           HE1      TYR   7 -12.538  -9.545  -4.498
   60    HH   TYR   7           HH       TYR   7 -15.654  -9.465  -4.516
   61    H    THR   8           HN       THR   8  -9.893  -3.467  -1.330
   62    HA   THR   8           HA       THR   8 -11.601  -1.412  -0.505
   63    HB   THR   8           HB       THR   8  -8.694  -2.009   0.013
   64    HG1  THR   8           HG1      THR   8  -9.642  -2.347   2.146
   65   HG21  THR   8          HG21      THR   8  -9.381  -0.335   2.049
   66   HG22  THR   8          HG22      THR   8 -10.085   0.477   0.650
   67   HG23  THR   8          HG23      THR   8  -8.363   0.094   0.674
   68    H    LEU   9           HN       LEU   9  -8.958  -1.462  -2.800
   69    HA   LEU   9           HA       LEU   9  -8.762   1.381  -3.060
   70    HB2  LEU   9           HB2      LEU   9  -7.714  -0.947  -4.636
   71    HB3  LEU   9           HB1      LEU   9  -7.531   0.694  -5.227
   72    HG   LEU   9           HG       LEU   9  -5.526  -0.131  -4.044
   73   HD11  LEU   9          HD11      LEU   9  -6.511   1.976  -2.232
   74   HD12  LEU   9          HD12      LEU   9  -6.599   2.331  -3.958
   75   HD13  LEU   9          HD13      LEU   9  -5.051   1.914  -3.220
   76   HD21  LEU   9          HD21      LEU   9  -7.363  -0.196  -1.651
   77   HD22  LEU   9          HD22      LEU   9  -5.609  -0.377  -1.598
   78   HD23  LEU   9          HD23      LEU   9  -6.595  -1.582  -2.426
   79    H    ALA  10           HN       ALA  10 -10.387  -1.174  -4.897
   80    HA   ALA  10           HA       ALA  10 -11.290   0.454  -7.013
   81    HB1  ALA  10           HB1      ALA  10 -12.441  -2.112  -5.924
   82    HB2  ALA  10           HB2      ALA  10 -11.248  -1.955  -7.214
   83    HB3  ALA  10           HB3      ALA  10 -12.893  -1.366  -7.457
   84    H    MET  11           HN       MET  11 -12.672  -0.344  -3.873
   85    HA   MET  11           HA       MET  11 -15.230   0.756  -4.303
   86    HB2  MET  11           HB2      MET  11 -13.609   0.123  -1.861
   87    HB3  MET  11           HB1      MET  11 -15.138   0.978  -1.707
   88    HG2  MET  11           HG2      MET  11 -16.257  -0.881  -2.882
   89    HG3  MET  11           HG1      MET  11 -14.719  -1.745  -2.921
   90    HE1  MET  11           HE1      MET  11 -17.732  -0.541  -0.649
   91    HE2  MET  11           HE2      MET  11 -16.376   0.502  -0.217
   92    HE3  MET  11           HE3      MET  11 -16.988  -0.677   0.945
   93    H    CYS  12           HN       CYS  12 -12.162   2.192  -3.539
   94    HA   CYS  12           HA       CYS  12 -12.878   4.583  -2.369
   95    HB2  CYS  12           HB2      CYS  12 -10.560   3.498  -3.502
   96    HB3  CYS  12           HB1      CYS  12 -10.826   5.006  -4.370
   97    H    GLY  13           HN       GLY  13 -12.029   4.430  -5.824
   98    HA2  GLY  13           HA2      GLY  13 -13.400   5.156  -7.617
   99    HA3  GLY  13           HA1      GLY  13 -14.431   5.983  -6.461
  100    H    ALA  14           HN       ALA  14 -12.044   7.165  -5.117
  101    HA   ALA  14           HA       ALA  14 -11.421   9.203  -7.154
  102    HB1  ALA  14           HB1      ALA  14 -12.032  10.836  -5.762
  103    HB2  ALA  14           HB2      ALA  14 -11.180  10.108  -4.402
  104    HB3  ALA  14           HB3      ALA  14 -12.811   9.578  -4.805
  105    H    GLY  15           HN       GLY  15 -10.224   7.571  -4.235
  106    HA2  GLY  15           HA2      GLY  15  -8.009   6.648  -4.170
  107    HA3  GLY  15           HA1      GLY  15  -7.496   7.900  -5.291
  108    H    TYR  16           HN       TYR  16  -9.534   8.728  -2.613
  109    HA   TYR  16           HA       TYR  16  -7.367  10.330  -1.496
  110    HB2  TYR  16           HB2      TYR  16 -10.239  10.583  -1.679
  111    HB3  TYR  16           HB1      TYR  16  -9.713  10.759  -0.008
  112    HD1  TYR  16           HD2      TYR  16  -7.573  12.339   0.268
  113    HD2  TYR  16           HD1      TYR  16 -10.321  12.487  -2.977
  114    HE1  TYR  16           HE2      TYR  16  -6.906  14.662  -0.182
  115    HE2  TYR  16           HE1      TYR  16  -9.659  14.810  -3.438
  116    HH   TYR  16           HH       TYR  16  -8.186  16.745  -1.385
  117    H    ASP  17           HN       ASP  17  -7.789  10.578   1.074
  118    HA   ASP  17           HA       ASP  17  -7.238   7.916   2.124
  119    HB2  ASP  17           HB2      ASP  17  -6.976  10.651   3.395
  120    HB3  ASP  17           HB1      ASP  17  -6.502   9.135   4.158
  121    H    SER  18           HN       SER  18  -9.835   8.025   1.465
  122    HA   SER  18           HA       SER  18 -11.703   9.032   3.209
  123    HB2  SER  18           HB2      SER  18 -12.147   7.764   1.073
  124    HB3  SER  18           HB1      SER  18 -11.878   6.275   1.980
  125    H    GLY  19           HN       GLY  19 -10.160   5.817   3.433
  126    HA2  GLY  19           HA2      GLY  19  -9.754   5.873   6.185
  127    HA3  GLY  19           HA1      GLY  19 -11.342   5.171   5.926
  128    H    THR  20           HN       THR  20 -11.200   3.507   3.946
  129    HA   THR  20           HA       THR  20  -9.460   1.426   4.908
  130    HB   THR  20           HB       THR  20 -10.985   1.016   2.410
  131    HG1  THR  20           HG1      THR  20 -12.821   1.651   3.159
  132   HG21  THR  20          HG21      THR  20  -9.876  -0.755   3.932
  133   HG22  THR  20          HG22      THR  20 -11.479  -1.065   3.266
  134   HG23  THR  20          HG23      THR  20 -11.307  -0.534   4.939
  135    H    CYS  21           HN       CYS  21  -9.839   3.257   1.894
  136    HA   CYS  21           HA       CYS  21  -8.001   2.023   0.284
  137    HB2  CYS  21           HB2      CYS  21  -8.298   5.022   0.458
  138    HB3  CYS  21           HB1      CYS  21  -7.833   4.070  -0.948
  139    H    ASP  22           HN       ASP  22  -7.247   4.880   2.289
  140    HA   ASP  22           HA       ASP  22  -4.482   4.788   1.893
  141    HB2  ASP  22           HB2      ASP  22  -5.989   6.647   2.917
  142    HB3  ASP  22           HB1      ASP  22  -5.671   5.828   4.443
  143    H    TYR  23           HN       TYR  23  -6.487   3.263   4.374
  144    HA   TYR  23           HA       TYR  23  -4.253   2.318   5.891
  145    HB2  TYR  23           HB2      TYR  23  -6.872   2.658   6.471
  146    HB3  TYR  23           HB1      TYR  23  -6.843   0.922   6.179
  147    HD1  TYR  23           HD1      TYR  23  -5.392   3.630   8.242
  148    HD2  TYR  23           HD2      TYR  23  -5.903  -0.568   7.767
  149    HE1  TYR  23           HE1      TYR  23  -4.522   3.272  10.514
  150    HE2  TYR  23           HE2      TYR  23  -5.036  -0.936  10.038
  151    HH   TYR  23           HH       TYR  23  -3.351   1.299  11.749
  152    H    MET  24           HN       MET  24  -6.787   0.371   4.309
  153    HA   MET  24           HA       MET  24  -5.518  -2.040   4.296
  154    HB2  MET  24           HB2      MET  24  -7.776  -0.915   3.019
  155    HB3  MET  24           HB1      MET  24  -6.859  -1.763   1.782
  156    HG2  MET  24           HG2      MET  24  -6.981  -3.406   4.101
  157    HG3  MET  24           HG1      MET  24  -8.608  -2.839   3.720
  158    HE1  MET  24           HE1      MET  24  -6.458  -5.590   3.502
  159    HE2  MET  24           HE2      MET  24  -5.446  -4.836   2.272
  160    HE3  MET  24           HE3      MET  24  -6.439  -6.233   1.860
  161    H    TYR  25           HN       TYR  25  -5.284   0.420   1.731
  162    HA   TYR  25           HA       TYR  25  -3.610  -0.968   0.003
  163    HB2  TYR  25           HB2      TYR  25  -4.759   1.234  -0.433
  164    HB3  TYR  25           HB1      TYR  25  -3.489   2.008   0.498
  165    HD1  TYR  25           HD1      TYR  25  -3.567  -0.600  -2.184
  166    HD2  TYR  25           HD2      TYR  25  -1.971   3.106  -0.836
  167    HE1  TYR  25           HE1      TYR  25  -2.167  -0.475  -4.202
  168    HE2  TYR  25           HE2      TYR  25  -0.567   3.241  -2.851
  169    HH   TYR  25           HH       TYR  25  -0.900   0.945  -5.478
  170    H    SER  26           HN       SER  26  -2.499   1.666   2.111
  171    HA   SER  26           HA       SER  26   0.201   1.206   1.936
  172    HB2  SER  26           HB2      SER  26  -1.391   2.252   4.275
  173    HB3  SER  26           HB1      SER  26   0.367   2.321   4.181
  174    HG   SER  26           HG       SER  26  -1.350   4.042   3.196
  175    H    HIS  27           HN       HIS  27  -2.158  -0.518   3.841
  176    HA   HIS  27           HA       HIS  27  -0.249  -1.871   5.494
  177    HB2  HIS  27           HB2      HIS  27  -2.791  -1.433   5.906
  178    HB3  HIS  27           HB1      HIS  27  -3.015  -2.911   4.978
  179    HD1  HIS  27           HD1      HIS  27  -2.024  -5.117   6.031
  180    HD2  HIS  27           HD2      HIS  27  -1.954  -1.784   8.511
  181    HE1  HIS  27           HE1      HIS  27  -1.607  -6.009   8.345
  182    HE2  HIS  27           HE2      HIS  27  -1.657  -3.982   9.841
  183    H    CYS  28           HN       CYS  28  -2.325  -2.934   2.800
  184    HA   CYS  28           HA       CYS  28  -1.176  -5.505   2.585
  185    HB2  CYS  28           HB2      CYS  28  -3.376  -5.050   1.673
  186    HB3  CYS  28           HB1      CYS  28  -2.710  -3.852   0.570
  187    H    PHE  29           HN       PHE  29  -0.426  -2.412   1.094
  188    HA   PHE  29           HA       PHE  29   1.829  -3.674  -0.315
  189    HB2  PHE  29           HB2      PHE  29  -0.015  -1.482  -1.004
  190    HB3  PHE  29           HB1      PHE  29   1.678  -1.160  -1.369
  191    HD1  PHE  29           HD1      PHE  29  -0.993  -3.696  -1.871
  192    HD2  PHE  29           HD2      PHE  29   2.621  -1.978  -3.320
  193    HE1  PHE  29           HE1      PHE  29  -1.193  -5.024  -3.932
  194    HE2  PHE  29           HE2      PHE  29   2.427  -3.303  -5.386
  195    HZ   PHE  29           HZ       PHE  29   0.531  -4.838  -5.688
  196    H    GLY  30           HN       GLY  30   3.500  -1.634  -0.761
  197    HA2  GLY  30           HA2      GLY  30   5.021  -0.171   0.181
  198    HA3  GLY  30           HA1      GLY  30   3.956  -0.021   1.570
  199    H    ILE  31           HN       ILE  31   5.151  -0.433   3.316
  200    HA   ILE  31           HA       ILE  31   6.569  -1.457   4.774
  201    HB   ILE  31           HB       ILE  31   5.993  -4.033   3.334
  202   HG12  ILE  31          HG12      ILE  31   4.192  -2.487   5.206
  203   HG13  ILE  31          HG11      ILE  31   3.846  -2.961   3.546
  204   HG21  ILE  31          HG21      ILE  31   7.562  -4.278   5.099
  205   HG22  ILE  31          HG22      ILE  31   6.020  -4.888   5.696
  206   HG23  ILE  31          HG23      ILE  31   6.587  -3.293   6.189
  207   HD11  ILE  31          HD11      ILE  31   3.177  -4.328   5.877
  208   HD12  ILE  31          HD12      ILE  31   4.473  -5.268   5.138
  209   HD13  ILE  31          HD13      ILE  31   3.017  -4.898   4.216
  210    H    LYS  32           HN       LYS  32   8.244  -0.265   3.405
  211    HA   LYS  32           HA       LYS  32  10.262  -0.180   2.348
  212    HB2  LYS  32           HB2      LYS  32  10.954  -1.277   4.401
  213    HB3  LYS  32           HB1      LYS  32  10.518  -2.849   3.744
  214    HG2  LYS  32           HG2      LYS  32  12.607  -3.058   3.044
  215    HG3  LYS  32           HG1      LYS  32  12.303  -1.749   1.900
  216    HD2  LYS  32           HD2      LYS  32  14.205  -1.073   3.104
  217    HD3  LYS  32           HD1      LYS  32  12.870  -0.166   3.817
  218    HE2  LYS  32           HE2      LYS  32  12.898  -2.466   5.310
  219    HE3  LYS  32           HE1      LYS  32  14.611  -2.194   5.000
  220    HZ1  LYS  32           HZ1      LYS  32  12.809  -0.086   6.047
  221    HZ2  LYS  32           HZ2      LYS  32  14.499  -0.067   5.989
  222    HZ3  LYS  32           HZ3      LYS  32  13.702  -1.117   7.050
  223    H    HIS  33           HN       HIS  33   9.600  -0.240   0.205
  224    HA   HIS  33           HA       HIS  33  10.621  -2.336  -1.366
  225    HB2  HIS  33           HB2      HIS  33   8.115  -2.961  -0.351
  226    HB3  HIS  33           HB1      HIS  33   7.770  -2.369  -1.973
  227    HD1  HIS  33           HD1      HIS  33  10.198  -3.518  -3.471
  228    HD2  HIS  33           HD2      HIS  33   7.933  -5.653  -0.718
  229    HE1  HIS  33           HE1      HIS  33  10.560  -5.941  -4.037
  230    HE2  HIS  33           HE2      HIS  33   9.135  -7.213  -2.394
  231    H    HIS  34           HN       HIS  34  11.556  -0.681  -2.516
  232    HA   HIS  34           HA       HIS  34   9.796   0.671  -4.402
  233    HB2  HIS  34           HB2      HIS  34  11.681   2.105  -2.531
  234    HB3  HIS  34           HB1      HIS  34  11.066   2.835  -4.011
  235    HD1  HIS  34           HD1      HIS  34   8.537   3.449  -4.065
  236    HD2  HIS  34           HD2      HIS  34   9.872   1.969  -0.419
  237    HE1  HIS  34           HE1      HIS  34   6.715   3.981  -2.417
  238    HE2  HIS  34           HE2      HIS  34   7.581   3.153  -0.201
  239    H    SER  35           HN       SER  35  10.598   0.442  -6.378
  240    HA   SER  35           HA       SER  35  12.024  -0.097  -8.073
  241    HB2  SER  35           HB2      SER  35  13.772   1.734  -6.421
  242    HB3  SER  35           HB1      SER  35  14.212   1.162  -8.030
  243    HG   SER  35           HG       SER  35  12.842   3.269  -7.532
  244    H    SER  36           HN       SER  36  11.874  -2.048  -6.066
  245    HA   SER  36           HA       SER  36  12.914  -3.911  -5.272
  246    HB2  SER  36           HB2      SER  36  14.321  -3.297  -7.828
  247    HB3  SER  36           HB1      SER  36  15.018  -4.534  -6.783
  248    HG   SER  36           HG       SER  36  13.293  -5.787  -7.079
  249    H    GLY  37           HN       GLY  37  13.498  -2.621  -3.362
  250    HA2  GLY  37           HA2      GLY  37  16.421  -2.554  -3.064
  251    HA3  GLY  37           HA1      GLY  37  15.486  -1.141  -2.603
  252    H    SER  38           HN       SER  38  16.745  -4.098  -1.588
  253    HA   SER  38           HA       SER  38  14.922  -4.311   0.688
  254    HB2  SER  38           HB2      SER  38  15.309  -6.436  -0.250
  255    HB3  SER  38           HB1      SER  38  17.032  -6.127  -0.461
  256    HG   SER  38           HG       SER  38  15.715  -6.377   2.041
  257    H    SER  39           HN       SER  39  18.123  -3.292  -0.146
  258    HA   SER  39           HA       SER  39  18.611  -2.638   2.682
  259    HB2  SER  39           HB2      SER  39  20.700  -3.583   0.703
  260    HB3  SER  39           HB1      SER  39  20.995  -3.116   2.377
  261    HG   SER  39           HG       SER  39  19.901  -4.894   3.070
  262    H    SER  40           HN       SER  40  17.722  -0.558   2.123
  263    HA   SER  40           HA       SER  40  19.495   1.096   0.456
  264    HB2  SER  40           HB2      SER  40  16.942   0.889  -0.012
  265    HB3  SER  40           HB1      SER  40  16.768   1.968   1.371
  266    HG   SER  40           HG       SER  40  17.013   3.402  -0.184
  267    H    TYR  41           HN       TYR  41  19.922   0.292   3.273
  268    HA   TYR  41           HA       TYR  41  20.874   2.737   4.275
  269    HB2  TYR  41           HB2      TYR  41  18.114   2.173   4.881
  270    HB3  TYR  41           HB1      TYR  41  19.064   2.175   6.362
  271    HD1  TYR  41           HD2      TYR  41  21.112   4.238   5.589
  272    HD2  TYR  41           HD1      TYR  41  16.884   4.165   5.118
  273    HE1  TYR  41           HE2      TYR  41  21.072   6.698   5.613
  274    HE2  TYR  41           HE1      TYR  41  16.833   6.624   5.139
  275    HH   TYR  41           HH       TYR  41  19.405   8.521   4.630
  276    H    HIS  42           HN       HIS  42  21.939   2.508   6.348
  277    HA   HIS  42           HA       HIS  42  22.123  -0.199   7.417
  278    HB2  HIS  42           HB2      HIS  42  23.877   0.190   5.572
  279    HB3  HIS  42           HB1      HIS  42  24.651   1.278   6.719
  280    HD1  HIS  42           HD1      HIS  42  26.161  -1.191   5.792
  281    HD2  HIS  42           HD2      HIS  42  23.737  -1.124   9.166
  282    HE1  HIS  42           HE1      HIS  42  26.978  -3.073   7.244
  283    HE2  HIS  42           HE2      HIS  42  25.559  -2.952   9.321
  284    H    CYS  43           HN       CYS  43  23.577   3.038   7.637
  285    HA   CYS  43           HA       CYS  43  24.081   2.823  10.437
  286    HB2  CYS  43           HB2      CYS  43  24.474   4.828   8.327
  287    HB3  CYS  43           HB1      CYS  43  24.132   5.518   9.910
  288    H1   NAG  44           H1       NAG  44 -14.032   5.928   1.007
  289    H2   NAG  44           H2       NAG  44 -14.949   5.590   3.544
  290    H3   NAG  44           H3       NAG  44 -17.480   6.392   2.088
  291    H4   NAG  44           H4       NAG  44 -15.697   8.226   3.766
  292    H5   NAG  44           H5       NAG  44 -16.880   9.002   1.118
  293    H61  NAG  44           H61      NAG  44 -14.427   9.836   0.898
  294    H62  NAG  44           H62      NAG  44 -14.301   9.486   2.637
  295    H81  NAG  44           H81      NAG  44 -16.878   2.527   0.740
  296    H82  NAG  44           H82      NAG  44 -16.044   1.585   2.007
  297    H83  NAG  44           H83      NAG  44 -17.795   1.915   2.144
  298    HN2  NAG  44           HN2      NAG  44 -15.484   4.357   1.038
  299    HO3  NAG  44           HO3      NAG  44 -16.611   6.044   4.784
  300    HO4  NAG  44           HO4      NAG  44 -18.436   8.252   3.109
  301    HO6  NAG  44           HO6      NAG  44 -14.986  11.687   2.119
  302    H1   NAG  45           H1       NAG  45  28.079   5.892   9.658
  303    H2   NAG  45           H2       NAG  45  26.114   6.031   7.327
  304    H3   NAG  45           H3       NAG  45  28.832   7.358   7.750
  305    H4   NAG  45           H4       NAG  45  26.024   8.562   7.609
  306    H5   NAG  45           H5       NAG  45  27.971   8.332   9.952
  307    H61  NAG  45           H61      NAG  45  25.811   9.051  11.195
  308    H62  NAG  45           H62      NAG  45  25.254   9.638   9.612
  309    H81  NAG  45           H81      NAG  45  27.808   2.697   4.728
  310    H82  NAG  45           H82      NAG  45  29.226   3.341   5.602
  311    H83  NAG  45           H83      NAG  45  28.164   2.136   6.386
  312    HN2  NAG  45           HN2      NAG  45  28.832   4.809   7.410
  313    HO3  NAG  45           HO3      NAG  45  28.597   7.157   5.608
  314    HO4  NAG  45           HO4      NAG  45  27.072  10.463   7.683
  315    HO6  NAG  45           HO6      NAG  45  27.452  10.755   9.609
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1  -8.465 -16.748  -5.147
    2    H2   LYS   1           HT2      LYS   1  -7.208 -17.714  -4.490
    3    H3   LYS   1           HT3      LYS   1  -6.944 -16.045  -4.788
    4    HA   LYS   1           HA       LYS   1  -8.886 -17.151  -2.873
    5    HB2  LYS   1           HB2      LYS   1  -6.035 -16.779  -2.743
    6    HB3  LYS   1           HB1      LYS   1  -6.823 -15.680  -1.618
    7    HG2  LYS   1           HG2      LYS   1  -8.020 -17.582  -0.625
    8    HG3  LYS   1           HG1      LYS   1  -7.171 -18.670  -1.726
    9    HD2  LYS   1           HD2      LYS   1  -5.232 -18.540  -0.567
   10    HD3  LYS   1           HD1      LYS   1  -5.472 -16.841  -0.152
   11    HE2  LYS   1           HE2      LYS   1  -7.063 -17.454   1.567
   12    HE3  LYS   1           HE1      LYS   1  -6.944 -19.153   1.109
   13    HZ1  LYS   1           HZ1      LYS   1  -5.091 -17.505   2.639
   14    HZ2  LYS   1           HZ2      LYS   1  -4.401 -18.640   1.592
   15    HZ3  LYS   1           HZ3      LYS   1  -5.470 -19.146   2.802
   16    HA   PRO   2           HA       PRO   2 -10.681 -13.157  -2.391
   17    HB2  PRO   2           HB2      PRO   2  -9.620 -12.875   0.365
   18    HB3  PRO   2           HB1      PRO   2 -11.291 -12.842  -0.206
   19    HG2  PRO   2           HG2      PRO   2 -10.330 -14.951   1.118
   20    HG3  PRO   2           HG1      PRO   2 -11.470 -15.149  -0.226
   21    HD2  PRO   2           HD2      PRO   2  -8.512 -15.574  -0.170
   22    HD3  PRO   2           HD1      PRO   2  -9.770 -16.505  -1.009
   23    H    ALA   3           HN       ALA   3 -10.258 -10.848  -2.035
   24    HA   ALA   3           HA       ALA   3  -7.520 -10.018  -1.633
   25    HB1  ALA   3           HB1      ALA   3  -8.784  -9.383  -4.288
   26    HB2  ALA   3           HB2      ALA   3  -7.671 -10.730  -4.047
   27    HB3  ALA   3           HB3      ALA   3  -7.127  -9.075  -3.770
   28    H    TRP   4           HN       TRP   4  -8.698  -8.987   0.121
   29    HA   TRP   4           HA       TRP   4 -10.679  -7.023  -0.369
   30    HB2  TRP   4           HB2      TRP   4  -8.986  -6.805   2.066
   31    HB3  TRP   4           HB1      TRP   4 -10.729  -6.674   1.897
   32    HD1  TRP   4           HD1      TRP   4 -12.153  -8.893   2.154
   33    HE1  TRP   4           HE1      TRP   4 -11.576 -11.244   3.035
   34    HE3  TRP   4           HE3      TRP   4  -7.078  -8.523   2.108
   35    HZ2  TRP   4           HZ2      TRP   4  -9.251 -12.744   3.632
   36    HZ3  TRP   4           HZ3      TRP   4  -5.734 -10.454   2.848
   37    HH2  TRP   4           HH2      TRP   4  -6.803 -12.521   3.593
   38    H    CYS   5           HN       CYS   5  -7.218  -7.015  -0.382
   39    HA   CYS   5           HA       CYS   5  -6.611  -4.349   0.028
   40    HB2  CYS   5           HB2      CYS   5  -5.348  -6.373  -1.824
   41    HB3  CYS   5           HB1      CYS   5  -4.662  -4.779  -1.531
   42    H    TRP   6           HN       TRP   6  -7.090  -5.900  -3.149
   43    HA   TRP   6           HA       TRP   6  -7.211  -3.435  -4.547
   44    HB2  TRP   6           HB2      TRP   6  -7.367  -6.268  -5.188
   45    HB3  TRP   6           HB1      TRP   6  -8.500  -5.317  -6.144
   46    HD1  TRP   6           HD1      TRP   6  -4.870  -6.201  -5.891
   47    HE1  TRP   6           HE1      TRP   6  -3.539  -4.952  -7.706
   48    HE3  TRP   6           HE3      TRP   6  -8.485  -2.937  -7.445
   49    HZ2  TRP   6           HZ2      TRP   6  -3.966  -2.859  -9.552
   50    HZ3  TRP   6           HZ3      TRP   6  -7.942  -1.343  -9.239
   51    HH2  TRP   6           HH2      TRP   6  -5.729  -1.306 -10.269
   52    H    TYR   7           HN       TYR   7  -9.592  -5.456  -2.993
   53    HA   TYR   7           HA       TYR   7 -11.926  -4.612  -4.197
   54    HB2  TYR   7           HB2      TYR   7 -11.344  -6.243  -2.105
   55    HB3  TYR   7           HB1      TYR   7 -12.053  -4.873  -1.258
   56    HD1  TYR   7           HD1      TYR   7 -13.832  -4.326  -3.900
   57    HD2  TYR   7           HD2      TYR   7 -13.254  -7.601  -1.249
   58    HE1  TYR   7           HE1      TYR   7 -16.087  -5.151  -4.439
   59    HE2  TYR   7           HE2      TYR   7 -15.504  -8.436  -1.780
   60    HH   TYR   7           HH       TYR   7 -17.606  -7.649  -2.643
   61    H    THR   8           HN       THR   8 -10.368  -3.185  -1.316
   62    HA   THR   8           HA       THR   8 -12.160  -1.013  -1.123
   63    HB   THR   8           HB       THR   8 -10.518  -1.922   0.643
   64    HG1  THR   8           HG1      THR   8 -10.589   0.889   0.361
   65   HG21  THR   8          HG21      THR   8  -8.428  -0.708   0.888
   66   HG22  THR   8          HG22      THR   8  -8.682   0.060  -0.680
   67   HG23  THR   8          HG23      THR   8  -8.433  -1.682  -0.580
   68    H    LEU   9           HN       LEU   9  -9.011  -1.374  -2.673
   69    HA   LEU   9           HA       LEU   9  -8.664   1.289  -3.479
   70    HB2  LEU   9           HB2      LEU   9  -7.595  -1.345  -4.365
   71    HB3  LEU   9           HB1      LEU   9  -7.350   0.035  -5.418
   72    HG   LEU   9           HG       LEU   9  -5.478  -0.527  -3.785
   73   HD11  LEU   9          HD11      LEU   9  -5.213   1.949  -3.170
   74   HD12  LEU   9          HD12      LEU   9  -6.720   2.188  -4.054
   75   HD13  LEU   9          HD13      LEU   9  -5.310   1.524  -4.879
   76   HD21  LEU   9          HD21      LEU   9  -7.248   0.880  -1.800
   77   HD22  LEU   9          HD22      LEU   9  -5.682   0.119  -1.521
   78   HD23  LEU   9          HD23      LEU   9  -7.095  -0.876  -1.870
   79    H    ALA  10           HN       ALA  10 -10.331  -1.414  -5.018
   80    HA   ALA  10           HA       ALA  10 -10.836  -0.216  -7.502
   81    HB1  ALA  10           HB1      ALA  10 -12.518  -2.251  -6.043
   82    HB2  ALA  10           HB2      ALA  10 -11.131  -2.611  -7.071
   83    HB3  ALA  10           HB3      ALA  10 -12.582  -1.892  -7.768
   84    H    MET  11           HN       MET  11 -12.953  -0.460  -4.644
   85    HA   MET  11           HA       MET  11 -14.993   1.189  -5.704
   86    HB2  MET  11           HB2      MET  11 -14.537  -0.311  -3.327
   87    HB3  MET  11           HB1      MET  11 -14.992   1.320  -2.852
   88    HG2  MET  11           HG2      MET  11 -16.738   0.513  -4.930
   89    HG3  MET  11           HG1      MET  11 -16.649  -0.798  -3.752
   90    HE1  MET  11           HE1      MET  11 -18.336   1.824  -4.997
   91    HE2  MET  11           HE2      MET  11 -19.072   2.814  -3.737
   92    HE3  MET  11           HE3      MET  11 -19.670   1.183  -4.039
   93    H    CYS  12           HN       CYS  12 -12.009   1.849  -4.076
   94    HA   CYS  12           HA       CYS  12 -12.467   4.362  -3.001
   95    HB2  CYS  12           HB2      CYS  12 -10.333   2.804  -3.037
   96    HB3  CYS  12           HB1      CYS  12  -9.878   3.825  -4.396
   97    H    GLY  13           HN       GLY  13 -12.016   6.485  -3.783
   98    HA2  GLY  13           HA2      GLY  13 -12.366   6.723  -6.707
   99    HA3  GLY  13           HA1      GLY  13 -13.078   7.833  -5.547
  100    H    ALA  14           HN       ALA  14 -11.372   8.888  -4.055
  101    HA   ALA  14           HA       ALA  14  -9.313   9.997  -5.811
  102    HB1  ALA  14           HB1      ALA  14  -9.280  11.390  -3.393
  103    HB2  ALA  14           HB2      ALA  14 -10.981  11.046  -3.710
  104    HB3  ALA  14           HB3      ALA  14 -10.016  11.905  -4.912
  105    H    GLY  15           HN       GLY  15  -7.276  10.744  -4.503
  106    HA2  GLY  15           HA2      GLY  15  -6.244   8.323  -3.190
  107    HA3  GLY  15           HA1      GLY  15  -5.268   9.558  -3.972
  108    H    TYR  16           HN       TYR  16  -7.863  10.498  -1.874
  109    HA   TYR  16           HA       TYR  16  -5.901  11.588   0.003
  110    HB2  TYR  16           HB2      TYR  16  -8.738  12.242  -0.686
  111    HB3  TYR  16           HB1      TYR  16  -8.119  12.694   0.899
  112    HD1  TYR  16           HD2      TYR  16  -5.973  14.112   0.962
  113    HD2  TYR  16           HD1      TYR  16  -8.338  13.605  -2.540
  114    HE1  TYR  16           HE2      TYR  16  -4.964  16.135  -0.006
  115    HE2  TYR  16           HE1      TYR  16  -7.334  15.626  -3.517
  116    HH   TYR  16           HH       TYR  16  -6.110  17.882  -2.231
  117    H    ASP  17           HN       ASP  17  -6.671  11.645   2.352
  118    HA   ASP  17           HA       ASP  17  -6.845   9.007   3.309
  119    HB2  ASP  17           HB2      ASP  17  -6.756  11.704   4.467
  120    HB3  ASP  17           HB1      ASP  17  -7.644  10.538   5.444
  121    H    SER  18           HN       SER  18  -8.718   8.239   2.105
  122    HA   SER  18           HA       SER  18 -11.320   9.274   2.652
  123    HB2  SER  18           HB2      SER  18 -10.762   8.034   0.575
  124    HB3  SER  18           HB1      SER  18 -10.557   6.567   1.531
  125    H    GLY  19           HN       GLY  19  -9.904   6.094   3.469
  126    HA2  GLY  19           HA2      GLY  19 -10.516   6.177   6.195
  127    HA3  GLY  19           HA1      GLY  19 -11.886   5.451   5.372
  128    H    THR  20           HN       THR  20 -11.030   3.777   3.613
  129    HA   THR  20           HA       THR  20  -9.375   1.892   5.133
  130    HB   THR  20           HB       THR  20 -10.938   1.175   2.674
  131    HG1  THR  20           HG1      THR  20 -12.759   0.939   3.877
  132   HG21  THR  20          HG21      THR  20 -11.320  -0.880   4.247
  133   HG22  THR  20          HG22      THR  20  -9.853  -0.283   5.023
  134   HG23  THR  20          HG23      THR  20  -9.834  -0.714   3.313
  135    H    CYS  21           HN       CYS  21  -9.645   3.452   1.988
  136    HA   CYS  21           HA       CYS  21  -7.767   2.098   0.518
  137    HB2  CYS  21           HB2      CYS  21  -8.003   5.107   0.509
  138    HB3  CYS  21           HB1      CYS  21  -7.521   4.064  -0.824
  139    H    ASP  22           HN       ASP  22  -7.141   4.843   2.704
  140    HA   ASP  22           HA       ASP  22  -4.322   4.745   2.342
  141    HB2  ASP  22           HB2      ASP  22  -6.224   6.263   4.012
  142    HB3  ASP  22           HB1      ASP  22  -4.609   6.079   4.688
  143    H    TYR  23           HN       TYR  23  -6.455   2.841   4.202
  144    HA   TYR  23           HA       TYR  23  -4.353   2.086   6.094
  145    HB2  TYR  23           HB2      TYR  23  -7.054   2.439   6.444
  146    HB3  TYR  23           HB1      TYR  23  -6.928   0.690   6.290
  147    HD1  TYR  23           HD2      TYR  23  -4.505  -0.032   7.619
  148    HD2  TYR  23           HD1      TYR  23  -7.292   3.008   8.665
  149    HE1  TYR  23           HE2      TYR  23  -3.789  -0.191   9.965
  150    HE2  TYR  23           HE1      TYR  23  -6.583   2.856  11.015
  151    HH   TYR  23           HH       TYR  23  -3.836   1.535  12.026
  152    H    MET  24           HN       MET  24  -6.796   0.320   4.192
  153    HA   MET  24           HA       MET  24  -5.597  -2.166   4.263
  154    HB2  MET  24           HB2      MET  24  -7.696  -0.844   2.757
  155    HB3  MET  24           HB1      MET  24  -6.839  -2.018   1.774
  156    HG2  MET  24           HG2      MET  24  -7.813  -2.760   4.499
  157    HG3  MET  24           HG1      MET  24  -8.916  -2.756   3.122
  158    HE1  MET  24           HE1      MET  24  -7.729  -6.365   4.367
  159    HE2  MET  24           HE2      MET  24  -8.129  -4.845   5.167
  160    HE3  MET  24           HE3      MET  24  -6.445  -5.344   5.013
  161    H    TYR  25           HN       TYR  25  -5.279   0.352   1.768
  162    HA   TYR  25           HA       TYR  25  -3.592  -0.986   0.021
  163    HB2  TYR  25           HB2      TYR  25  -4.730   1.290  -0.255
  164    HB3  TYR  25           HB1      TYR  25  -3.358   1.958   0.611
  165    HD1  TYR  25           HD1      TYR  25  -3.614  -0.645  -2.055
  166    HD2  TYR  25           HD2      TYR  25  -2.025   3.121  -0.876
  167    HE1  TYR  25           HE1      TYR  25  -2.352  -0.524  -4.162
  168    HE2  TYR  25           HE2      TYR  25  -0.759   3.253  -2.981
  169    HH   TYR  25           HH       TYR  25  -0.388   0.581  -5.071
  170    H    SER  26           HN       SER  26  -2.498   1.523   2.293
  171    HA   SER  26           HA       SER  26   0.195   1.170   2.121
  172    HB2  SER  26           HB2      SER  26  -1.622   2.144   4.239
  173    HB3  SER  26           HB1      SER  26   0.000   1.700   4.771
  174    HG   SER  26           HG       SER  26   0.606   3.541   3.990
  175    H    HIS  27           HN       HIS  27  -1.893  -0.507   4.477
  176    HA   HIS  27           HA       HIS  27   0.114  -2.100   5.594
  177    HB2  HIS  27           HB2      HIS  27  -2.477  -1.678   6.187
  178    HB3  HIS  27           HB1      HIS  27  -2.607  -3.260   5.424
  179    HD1  HIS  27           HD1      HIS  27  -0.929  -5.134   6.509
  180    HD2  HIS  27           HD2      HIS  27  -1.774  -1.775   8.805
  181    HE1  HIS  27           HE1      HIS  27  -0.322  -5.762   8.867
  182    HE2  HIS  27           HE2      HIS  27  -0.878  -3.727  10.247
  183    H    CYS  28           HN       CYS  28  -1.633  -2.418   2.625
  184    HA   CYS  28           HA       CYS  28  -0.902  -5.200   2.271
  185    HB2  CYS  28           HB2      CYS  28  -3.051  -4.002   1.423
  186    HB3  CYS  28           HB1      CYS  28  -2.021  -3.451   0.107
  187    H    PHE  29           HN       PHE  29  -0.276  -2.188   0.458
  188    HA   PHE  29           HA       PHE  29   1.997  -3.425  -0.852
  189    HB2  PHE  29           HB2      PHE  29   0.499  -0.861  -1.189
  190    HB3  PHE  29           HB1      PHE  29   2.129  -0.993  -1.841
  191    HD1  PHE  29           HD1      PHE  29  -0.479  -3.624  -1.666
  192    HD2  PHE  29           HD2      PHE  29   1.766  -0.989  -4.141
  193    HE1  PHE  29           HE1      PHE  29  -1.374  -4.746  -3.664
  194    HE2  PHE  29           HE2      PHE  29   0.874  -2.106  -6.145
  195    HZ   PHE  29           HZ       PHE  29  -0.699  -3.989  -5.905
  196    H    GLY  30           HN       GLY  30   1.853  -0.114   0.312
  197    HA2  GLY  30           HA2      GLY  30   3.073   0.587   2.318
  198    HA3  GLY  30           HA1      GLY  30   4.262  -0.648   1.933
  199    H    ILE  31           HN       ILE  31   2.859   1.376  -0.534
  200    HA   ILE  31           HA       ILE  31   5.339   2.955  -0.653
  201    HB   ILE  31           HB       ILE  31   3.929   1.869  -3.090
  202   HG12  ILE  31          HG12      ILE  31   4.977   0.072  -1.711
  203   HG13  ILE  31          HG11      ILE  31   5.716   0.256  -3.299
  204   HG21  ILE  31          HG21      ILE  31   6.656   2.591  -3.500
  205   HG22  ILE  31          HG22      ILE  31   5.820   3.933  -2.721
  206   HG23  ILE  31          HG23      ILE  31   5.206   3.273  -4.237
  207   HD11  ILE  31          HD11      ILE  31   6.982   0.242  -0.811
  208   HD12  ILE  31          HD12      ILE  31   7.072   1.905  -1.391
  209   HD13  ILE  31          HD13      ILE  31   7.698   0.590  -2.384
  210    H    LYS  32           HN       LYS  32   4.347   4.772   0.200
  211    HA   LYS  32           HA       LYS  32   2.018   5.847  -1.214
  212    HB2  LYS  32           HB2      LYS  32   3.228   7.134   1.204
  213    HB3  LYS  32           HB1      LYS  32   1.555   7.133   0.667
  214    HG2  LYS  32           HG2      LYS  32   1.209   5.589   2.227
  215    HG3  LYS  32           HG1      LYS  32   2.054   4.472   1.154
  216    HD2  LYS  32           HD2      LYS  32   3.708   4.260   2.624
  217    HD3  LYS  32           HD1      LYS  32   3.970   6.005   2.623
  218    HE2  LYS  32           HE2      LYS  32   2.942   6.266   4.592
  219    HE3  LYS  32           HE1      LYS  32   1.609   5.207   4.131
  220    HZ1  LYS  32           HZ1      LYS  32   3.699   3.504   4.473
  221    HZ2  LYS  32           HZ2      LYS  32   2.470   3.792   5.598
  222    HZ3  LYS  32           HZ3      LYS  32   3.932   4.635   5.710
  223    H    HIS  33           HN       HIS  33   4.778   5.832  -2.293
  224    HA   HIS  33           HA       HIS  33   6.125   7.200  -3.512
  225    HB2  HIS  33           HB2      HIS  33   3.571   8.660  -3.341
  226    HB3  HIS  33           HB1      HIS  33   4.970   9.664  -3.711
  227    HD1  HIS  33           HD1      HIS  33   4.279  10.090  -6.136
  228    HD2  HIS  33           HD2      HIS  33   4.677   6.060  -5.205
  229    HE1  HIS  33           HE1      HIS  33   4.211   8.881  -8.340
  230    HE2  HIS  33           HE2      HIS  33   4.475   6.445  -7.755
  231    H    HIS  34           HN       HIS  34   6.365   7.079  -0.607
  232    HA   HIS  34           HA       HIS  34   6.998   9.686   0.370
  233    HB2  HIS  34           HB2      HIS  34   7.800   8.574   2.341
  234    HB3  HIS  34           HB1      HIS  34   6.346   7.735   1.810
  235    HD1  HIS  34           HD1      HIS  34   8.121   6.215  -0.509
  236    HD2  HIS  34           HD2      HIS  34   8.670   6.200   3.610
  237    HE1  HIS  34           HE1      HIS  34   9.420   4.119  -0.011
  238    HE2  HIS  34           HE2      HIS  34   9.684   4.098   2.495
  239    H    SER  35           HN       SER  35   9.092  10.486   0.920
  240    HA   SER  35           HA       SER  35  11.462   9.202  -0.046
  241    HB2  SER  35           HB2      SER  35  10.162  11.360  -1.652
  242    HB3  SER  35           HB1      SER  35  11.923  11.336  -1.549
  243    HG   SER  35           HG       SER  35  11.578  10.023  -3.208
  244    H    SER  36           HN       SER  36  13.401  10.424   0.442
  245    HA   SER  36           HA       SER  36  12.970  12.208   2.722
  246    HB2  SER  36           HB2      SER  36  15.436  10.719   1.795
  247    HB3  SER  36           HB1      SER  36  15.380  11.775   3.206
  248    HG   SER  36           HG       SER  36  14.955   9.316   3.338
  249    H    GLY  37           HN       GLY  37  12.461  14.100   1.543
  250    HA2  GLY  37           HA2      GLY  37  13.469  16.237   1.115
  251    HA3  GLY  37           HA1      GLY  37  14.846  15.403   0.411
  252    H    SER  38           HN       SER  38  11.538  16.428  -0.101
  253    HA   SER  38           HA       SER  38  11.628  15.601  -2.896
  254    HB2  SER  38           HB2      SER  38   9.458  16.689  -1.113
  255    HB3  SER  38           HB1      SER  38   9.254  16.616  -2.864
  256    HG   SER  38           HG       SER  38   8.541  14.682  -2.304
  257    H    SER  39           HN       SER  39  10.829  17.210  -4.541
  258    HA   SER  39           HA       SER  39  11.686  19.951  -3.923
  259    HB2  SER  39           HB2      SER  39  12.485  18.456  -6.432
  260    HB3  SER  39           HB1      SER  39  12.945  20.101  -5.994
  261    HG   SER  39           HG       SER  39  14.394  19.349  -4.639
  262    H    SER  40           HN       SER  40  10.521  18.143  -6.770
  263    HA   SER  40           HA       SER  40   9.019  20.168  -7.894
  264    HB2  SER  40           HB2      SER  40   7.772  18.386  -9.069
  265    HB3  SER  40           HB1      SER  40   9.507  18.075  -9.068
  266    HG   SER  40           HG       SER  40   7.868  16.332  -8.432
  267    H    TYR  41           HN       TYR  41   8.269  18.112  -5.195
  268    HA   TYR  41           HA       TYR  41   5.462  18.753  -5.160
  269    HB2  TYR  41           HB2      TYR  41   6.487  16.609  -4.274
  270    HB3  TYR  41           HB1      TYR  41   7.081  17.553  -2.912
  271    HD1  TYR  41           HD2      TYR  41   3.801  17.756  -4.668
  272    HD2  TYR  41           HD1      TYR  41   5.868  16.775  -1.081
  273    HE1  TYR  41           HE2      TYR  41   1.650  17.442  -3.520
  274    HE2  TYR  41           HE1      TYR  41   3.722  16.458   0.077
  275    HH   TYR  41           HH       TYR  41   1.031  15.865  -1.167
  276    H    HIS  42           HN       HIS  42   4.392  19.936  -3.493
  277    HA   HIS  42           HA       HIS  42   5.950  21.624  -1.739
  278    HB2  HIS  42           HB2      HIS  42   5.094  23.737  -2.614
  279    HB3  HIS  42           HB1      HIS  42   6.002  22.885  -3.859
  280    HD1  HIS  42           HD1      HIS  42   2.423  23.601  -2.849
  281    HD2  HIS  42           HD2      HIS  42   4.621  22.422  -6.172
  282    HE1  HIS  42           HE1      HIS  42   0.799  23.617  -4.769
  283    HE2  HIS  42           HE2      HIS  42   2.157  22.925  -6.775
  284    H    CYS  43           HN       CYS  43   4.832  22.190   0.051
  285    HA   CYS  43           HA       CYS  43   2.435  20.907   0.687
  286    HB2  CYS  43           HB2      CYS  43   4.333  22.395   2.062
  287    HB3  CYS  43           HB1      CYS  43   2.861  23.348   2.221
  288    H1   NAG  44           H1       NAG  44 -12.845   8.183  -0.490
  289    H2   NAG  44           H2       NAG  44 -14.760   6.737   0.044
  290    H3   NAG  44           H3       NAG  44 -16.418   7.992   1.772
  291    H4   NAG  44           H4       NAG  44 -13.782   8.230   3.242
  292    H5   NAG  44           H5       NAG  44 -15.080  10.395   1.523
  293    H61  NAG  44           H61      NAG  44 -13.324  11.886   2.353
  294    H62  NAG  44           H62      NAG  44 -12.717  10.612   3.433
  295    H81  NAG  44           H81      NAG  44 -17.587   8.654  -2.962
  296    H82  NAG  44           H82      NAG  44 -17.379   9.896  -1.696
  297    H83  NAG  44           H83      NAG  44 -16.164   9.732  -2.994
  298    HN2  NAG  44           HN2      NAG  44 -15.555   9.598  -0.175
  299    HO3  NAG  44           HO3      NAG  44 -15.769   6.355   3.195
  300    HO4  NAG  44           HO4      NAG  44 -16.105   8.330   4.083
  301    HO6  NAG  44           HO6      NAG  44 -15.043  12.185   3.643
  302    H1   NAG  45           H1       NAG  45   2.570  23.101   4.894
  303    H2   NAG  45           H2       NAG  45   3.527  20.491   6.157
  304    H3   NAG  45           H3       NAG  45   2.818  23.189   7.397
  305    H4   NAG  45           H4       NAG  45   5.507  21.753   7.150
  306    H5   NAG  45           H5       NAG  45   4.492  24.307   5.813
  307    H61  NAG  45           H61      NAG  45   7.177  22.984   6.026
  308    H62  NAG  45           H62      NAG  45   6.758  24.709   5.938
  309    H81  NAG  45           H81      NAG  45  -1.113  20.920   5.874
  310    H82  NAG  45           H82      NAG  45  -0.955  21.228   7.625
  311    H83  NAG  45           H83      NAG  45  -1.479  22.539   6.532
  312    HN2  NAG  45           HN2      NAG  45   1.251  20.170   6.457
  313    HO3  NAG  45           HO3      NAG  45   4.050  20.949   8.645
  314    HO4  NAG  45           HO4      NAG  45   5.523  22.993   8.978
  315    HO6  NAG  45           HO6      NAG  45   6.499  24.538   3.741
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1  -3.758 -16.960  -1.123
    2    H2   LYS   1           HT2      LYS   1  -3.001 -17.496  -2.567
    3    H3   LYS   1           HT3      LYS   1  -4.656 -17.043  -2.580
    4    HA   LYS   1           HA       LYS   1  -2.592 -15.147  -1.761
    5    HB2  LYS   1           HB2      LYS   1  -2.109 -16.307  -4.012
    6    HB3  LYS   1           HB1      LYS   1  -3.537 -15.469  -4.604
    7    HG2  LYS   1           HG2      LYS   1  -2.047 -13.894  -5.180
    8    HG3  LYS   1           HG1      LYS   1  -2.210 -13.409  -3.491
    9    HD2  LYS   1           HD2      LYS   1  -0.188 -15.469  -4.281
   10    HD3  LYS   1           HD1      LYS   1   0.160 -13.753  -4.497
   11    HE2  LYS   1           HE2      LYS   1  -0.612 -13.564  -2.020
   12    HE3  LYS   1           HE1      LYS   1  -0.289 -15.296  -1.976
   13    HZ1  LYS   1           HZ1      LYS   1   1.547 -13.422  -1.494
   14    HZ2  LYS   1           HZ2      LYS   1   1.807 -13.675  -3.146
   15    HZ3  LYS   1           HZ3      LYS   1   1.915 -14.971  -2.066
   16    HA   PRO   2           HA       PRO   2  -6.840 -13.444  -1.385
   17    HB2  PRO   2           HB2      PRO   2  -6.333 -11.910   0.776
   18    HB3  PRO   2           HB1      PRO   2  -6.672 -13.640   0.907
   19    HG2  PRO   2           HG2      PRO   2  -4.037 -12.218   0.953
   20    HG3  PRO   2           HG1      PRO   2  -4.611 -13.546   1.980
   21    HD2  PRO   2           HD2      PRO   2  -2.961 -13.920  -0.151
   22    HD3  PRO   2           HD1      PRO   2  -4.122 -15.143   0.401
   23    H    ALA   3           HN       ALA   3  -7.552 -11.619  -2.332
   24    HA   ALA   3           HA       ALA   3  -5.638  -9.409  -2.707
   25    HB1  ALA   3           HB1      ALA   3  -5.715 -10.255  -4.848
   26    HB2  ALA   3           HB2      ALA   3  -7.012  -9.061  -4.903
   27    HB3  ALA   3           HB3      ALA   3  -7.394 -10.771  -4.700
   28    H    TRP   4           HN       TRP   4  -7.482  -9.576  -0.591
   29    HA   TRP   4           HA       TRP   4  -9.908  -8.228  -1.112
   30    HB2  TRP   4           HB2      TRP   4  -8.572  -9.327   1.148
   31    HB3  TRP   4           HB1      TRP   4  -9.024  -7.674   1.546
   32    HD1  TRP   4           HD1      TRP   4 -10.381 -11.067   1.602
   33    HE1  TRP   4           HE1      TRP   4 -12.938 -11.040   1.895
   34    HE3  TRP   4           HE3      TRP   4 -11.261  -6.130   0.607
   35    HZ2  TRP   4           HZ2      TRP   4 -15.049  -9.172   1.728
   36    HZ3  TRP   4           HZ3      TRP   4 -13.577  -5.304   0.695
   37    HH2  TRP   4           HH2      TRP   4 -15.430  -6.794   1.244
   38    H    CYS   5           HN       CYS   5  -6.679  -7.109  -0.263
   39    HA   CYS   5           HA       CYS   5  -7.280  -4.445   0.326
   40    HB2  CYS   5           HB2      CYS   5  -4.887  -4.010  -0.376
   41    HB3  CYS   5           HB1      CYS   5  -5.111  -5.243   0.859
   42    H    TRP   6           HN       TRP   6  -6.922  -6.090  -2.732
   43    HA   TRP   6           HA       TRP   6  -6.683  -3.798  -4.372
   44    HB2  TRP   6           HB2      TRP   6  -6.921  -6.645  -4.738
   45    HB3  TRP   6           HB1      TRP   6  -7.986  -5.806  -5.861
   46    HD1  TRP   6           HD1      TRP   6  -4.629  -7.097  -5.755
   47    HE1  TRP   6           HE1      TRP   6  -3.090  -5.925  -7.453
   48    HE3  TRP   6           HE3      TRP   6  -7.534  -3.022  -6.811
   49    HZ2  TRP   6           HZ2      TRP   6  -3.105  -3.586  -9.031
   50    HZ3  TRP   6           HZ3      TRP   6  -6.698  -1.366  -8.426
   51    HH2  TRP   6           HH2      TRP   6  -4.529  -1.641  -9.511
   52    H    TYR   7           HN       TYR   7  -9.414  -5.519  -3.020
   53    HA   TYR   7           HA       TYR   7 -11.413  -4.269  -4.609
   54    HB2  TYR   7           HB2      TYR   7 -11.511  -5.698  -1.951
   55    HB3  TYR   7           HB1      TYR   7 -12.946  -5.052  -2.734
   56    HD1  TYR   7           HD1      TYR   7 -10.992  -6.039  -5.390
   57    HD2  TYR   7           HD2      TYR   7 -13.232  -7.730  -2.190
   58    HE1  TYR   7           HE1      TYR   7 -11.230  -8.127  -6.667
   59    HE2  TYR   7           HE2      TYR   7 -13.473  -9.822  -3.459
   60    HH   TYR   7           HH       TYR   7 -11.848 -10.906  -5.551
   61    H    THR   8           HN       THR   8  -9.996  -3.583  -1.449
   62    HA   THR   8           HA       THR   8 -11.691  -1.497  -0.672
   63    HB   THR   8           HB       THR   8  -8.795  -2.075  -0.034
   64    HG1  THR   8           HG1      THR   8 -10.020  -3.561   0.935
   65   HG21  THR   8          HG21      THR   8 -10.191   0.343   0.522
   66   HG22  THR   8          HG22      THR   8  -8.565  -0.141   1.005
   67   HG23  THR   8          HG23      THR   8  -9.947  -0.542   2.028
   68    H    LEU   9           HN       LEU   9  -8.726  -1.478  -2.601
   69    HA   LEU   9           HA       LEU   9  -8.801   1.394  -2.920
   70    HB2  LEU   9           HB2      LEU   9  -7.021  -0.792  -3.947
   71    HB3  LEU   9           HB1      LEU   9  -6.903   0.838  -4.580
   72    HG   LEU   9           HG       LEU   9  -5.280   0.203  -2.728
   73   HD11  LEU   9          HD11      LEU   9  -6.301   2.577  -3.459
   74   HD12  LEU   9          HD12      LEU   9  -5.077   2.386  -2.204
   75   HD13  LEU   9          HD13      LEU   9  -6.777   2.551  -1.761
   76   HD21  LEU   9          HD21      LEU   9  -7.596   0.730  -0.894
   77   HD22  LEU   9          HD22      LEU   9  -6.001   0.083  -0.509
   78   HD23  LEU   9          HD23      LEU   9  -7.165  -0.907  -1.390
   79    H    ALA  10           HN       ALA  10  -9.293  -1.442  -5.004
   80    HA   ALA  10           HA       ALA  10  -9.717  -0.215  -7.426
   81    HB1  ALA  10           HB1      ALA  10 -11.004  -2.657  -6.237
   82    HB2  ALA  10           HB2      ALA  10  -9.653  -2.571  -7.368
   83    HB3  ALA  10           HB3      ALA  10 -11.280  -2.148  -7.903
   84    H    MET  11           HN       MET  11 -11.764  -0.198  -4.628
   85    HA   MET  11           HA       MET  11 -14.097   0.726  -6.068
   86    HB2  MET  11           HB2      MET  11 -13.564   0.547  -3.096
   87    HB3  MET  11           HB1      MET  11 -15.119   0.911  -3.833
   88    HG2  MET  11           HG2      MET  11 -13.924  -1.555  -4.824
   89    HG3  MET  11           HG1      MET  11 -14.242  -1.570  -3.087
   90    HE1  MET  11           HE1      MET  11 -17.342  -0.801  -2.340
   91    HE2  MET  11           HE2      MET  11 -16.029  -1.939  -2.036
   92    HE3  MET  11           HE3      MET  11 -17.563  -2.516  -2.687
   93    H    CYS  12           HN       CYS  12 -11.791   2.097  -3.734
   94    HA   CYS  12           HA       CYS  12 -12.810   4.642  -3.490
   95    HB2  CYS  12           HB2      CYS  12 -10.485   3.349  -2.712
   96    HB3  CYS  12           HB1      CYS  12  -9.902   4.655  -3.735
   97    H    GLY  13           HN       GLY  13 -10.492   3.484  -5.934
   98    HA2  GLY  13           HA2      GLY  13 -10.727   4.173  -8.236
   99    HA3  GLY  13           HA1      GLY  13 -11.375   5.702  -7.663
  100    H    ALA  14           HN       ALA  14  -8.655   4.461  -5.970
  101    HA   ALA  14           HA       ALA  14  -6.460   5.067  -5.872
  102    HB1  ALA  14           HB1      ALA  14  -6.251   6.432  -8.433
  103    HB2  ALA  14           HB2      ALA  14  -6.958   4.821  -8.569
  104    HB3  ALA  14           HB3      ALA  14  -5.375   5.028  -7.821
  105    H    GLY  15           HN       GLY  15  -5.169   6.891  -5.387
  106    HA2  GLY  15           HA2      GLY  15  -4.795   9.036  -4.662
  107    HA3  GLY  15           HA1      GLY  15  -5.847   9.553  -5.970
  108    H    TYR  16           HN       TYR  16  -6.039   8.066  -2.738
  109    HA   TYR  16           HA       TYR  16  -7.883  10.070  -1.844
  110    HB2  TYR  16           HB2      TYR  16  -8.916   7.603  -2.952
  111    HB3  TYR  16           HB1      TYR  16  -9.366   7.768  -1.259
  112    HD1  TYR  16           HD2      TYR  16 -10.700   9.726  -0.520
  113    HD2  TYR  16           HD1      TYR  16  -9.881   8.999  -4.632
  114    HE1  TYR  16           HE2      TYR  16 -12.507  11.270  -1.148
  115    HE2  TYR  16           HE1      TYR  16 -11.686  10.541  -5.271
  116    HH   TYR  16           HH       TYR  16 -13.848  11.405  -4.161
  117    H    ASP  17           HN       ASP  17  -8.551   9.701   0.431
  118    HA   ASP  17           HA       ASP  17  -7.188   7.689   1.956
  119    HB2  ASP  17           HB2      ASP  17  -5.845   9.280   3.311
  120    HB3  ASP  17           HB1      ASP  17  -5.313   9.191   1.635
  121    H    SER  18           HN       SER  18  -9.805   7.995   1.873
  122    HA   SER  18           HA       SER  18 -10.828   9.831   3.819
  123    HB2  SER  18           HB2      SER  18 -11.917   8.176   1.812
  124    HB3  SER  18           HB1      SER  18 -12.610   7.618   3.334
  125    H    GLY  19           HN       GLY  19  -9.821   6.466   3.819
  126    HA2  GLY  19           HA2      GLY  19  -9.326   6.379   6.567
  127    HA3  GLY  19           HA1      GLY  19 -10.940   5.735   6.307
  128    H    THR  20           HN       THR  20 -11.178   3.843   4.985
  129    HA   THR  20           HA       THR  20  -9.214   1.882   5.512
  130    HB   THR  20           HB       THR  20 -11.255   1.439   3.385
  131    HG1  THR  20           HG1      THR  20 -12.721   2.266   4.640
  132   HG21  THR  20          HG21      THR  20 -11.468  -0.431   5.454
  133   HG22  THR  20          HG22      THR  20  -9.742  -0.175   5.193
  134   HG23  THR  20          HG23      THR  20 -10.775  -0.663   3.849
  135    H    CYS  21           HN       CYS  21 -10.110   3.632   2.567
  136    HA   CYS  21           HA       CYS  21  -8.683   2.331   0.649
  137    HB2  CYS  21           HB2      CYS  21  -8.918   5.326   0.987
  138    HB3  CYS  21           HB1      CYS  21  -8.438   4.511  -0.498
  139    H    ASP  22           HN       ASP  22  -7.372   4.898   2.750
  140    HA   ASP  22           HA       ASP  22  -4.724   4.641   1.749
  141    HB2  ASP  22           HB2      ASP  22  -5.906   6.599   3.070
  142    HB3  ASP  22           HB1      ASP  22  -5.252   5.755   4.471
  143    H    TYR  23           HN       TYR  23  -6.366   3.387   4.631
  144    HA   TYR  23           HA       TYR  23  -4.046   2.194   5.749
  145    HB2  TYR  23           HB2      TYR  23  -6.559   2.694   6.674
  146    HB3  TYR  23           HB1      TYR  23  -6.636   0.954   6.413
  147    HD1  TYR  23           HD1      TYR  23  -5.027   3.640   8.329
  148    HD2  TYR  23           HD2      TYR  23  -5.323  -0.566   7.758
  149    HE1  TYR  23           HE1      TYR  23  -3.854   3.275  10.458
  150    HE2  TYR  23           HE2      TYR  23  -4.153  -0.943   9.888
  151    HH   TYR  23           HH       TYR  23  -2.531   1.540  11.558
  152    H    MET  24           HN       MET  24  -6.914   0.543   4.394
  153    HA   MET  24           HA       MET  24  -5.878  -1.982   4.200
  154    HB2  MET  24           HB2      MET  24  -8.096  -0.522   3.071
  155    HB3  MET  24           HB1      MET  24  -7.442  -1.647   1.894
  156    HG2  MET  24           HG2      MET  24  -7.985  -2.592   4.665
  157    HG3  MET  24           HG1      MET  24  -9.324  -2.390   3.533
  158    HE1  MET  24           HE1      MET  24  -6.841  -5.247   4.750
  159    HE2  MET  24           HE2      MET  24  -8.190  -6.196   4.124
  160    HE3  MET  24           HE3      MET  24  -8.499  -4.775   5.124
  161    H    TYR  25           HN       TYR  25  -5.303   0.761   2.118
  162    HA   TYR  25           HA       TYR  25  -4.155  -0.591  -0.071
  163    HB2  TYR  25           HB2      TYR  25  -4.787   1.671  -0.390
  164    HB3  TYR  25           HB1      TYR  25  -3.866   2.213   1.000
  165    HD1  TYR  25           HD1      TYR  25  -3.433   0.688  -2.376
  166    HD2  TYR  25           HD2      TYR  25  -1.735   3.098   0.690
  167    HE1  TYR  25           HE1      TYR  25  -1.544   1.226  -3.856
  168    HE2  TYR  25           HE2      TYR  25   0.159   3.645  -0.781
  169    HH   TYR  25           HH       TYR  25   0.521   3.722  -3.365
  170    H    SER  26           HN       SER  26  -2.225   1.570   1.933
  171    HA   SER  26           HA       SER  26   0.218   0.396   1.485
  172    HB2  SER  26           HB2      SER  26  -0.596   2.532   2.942
  173    HB3  SER  26           HB1      SER  26  -0.169   1.422   4.244
  174    HG   SER  26           HG       SER  26   1.777   2.125   3.853
  175    H    HIS  27           HN       HIS  27  -2.208  -0.533   3.893
  176    HA   HIS  27           HA       HIS  27  -0.723  -2.290   5.445
  177    HB2  HIS  27           HB2      HIS  27  -3.175  -1.647   5.737
  178    HB3  HIS  27           HB1      HIS  27  -3.542  -2.867   4.521
  179    HD1  HIS  27           HD1      HIS  27  -1.878  -5.209   5.372
  180    HD2  HIS  27           HD2      HIS  27  -3.865  -2.777   8.092
  181    HE1  HIS  27           HE1      HIS  27  -2.160  -6.607   7.443
  182    HE2  HIS  27           HE2      HIS  27  -3.437  -5.142   9.046
  183    H    CYS  28           HN       CYS  28  -1.961  -2.583   2.228
  184    HA   CYS  28           HA       CYS  28  -0.989  -5.336   1.973
  185    HB2  CYS  28           HB2      CYS  28  -3.326  -4.547   1.188
  186    HB3  CYS  28           HB1      CYS  28  -2.466  -3.775  -0.136
  187    H    PHE  29           HN       PHE  29  -0.408  -2.052   1.081
  188    HA   PHE  29           HA       PHE  29   1.421  -1.027   0.233
  189    HB2  PHE  29           HB2      PHE  29   2.772  -2.855   1.203
  190    HB3  PHE  29           HB1      PHE  29   2.559  -3.780  -0.282
  191    HD1  PHE  29           HD2      PHE  29   3.488  -0.259   0.544
  192    HD2  PHE  29           HD1      PHE  29   4.432  -3.819  -1.588
  193    HE1  PHE  29           HE2      PHE  29   5.462   0.848  -0.421
  194    HE2  PHE  29           HE1      PHE  29   6.409  -2.718  -2.557
  195    HZ   PHE  29           HZ       PHE  29   6.924  -0.385  -1.980
  196    H    GLY  30           HN       GLY  30   1.234   0.008  -1.590
  197    HA2  GLY  30           HA2      GLY  30  -0.257  -0.837  -3.754
  198    HA3  GLY  30           HA1      GLY  30   0.923   0.461  -3.813
  199    H    ILE  31           HN       ILE  31   0.658  -0.861  -6.075
  200    HA   ILE  31           HA       ILE  31   3.178  -2.317  -6.286
  201    HB   ILE  31           HB       ILE  31   1.943  -3.940  -7.897
  202   HG12  ILE  31          HG12      ILE  31  -0.372  -3.799  -6.081
  203   HG13  ILE  31          HG11      ILE  31  -0.233  -2.441  -7.194
  204   HG21  ILE  31          HG21      ILE  31   2.362  -3.992  -5.010
  205   HG22  ILE  31          HG22      ILE  31   2.781  -5.184  -6.241
  206   HG23  ILE  31          HG23      ILE  31   1.150  -5.146  -5.569
  207   HD11  ILE  31          HD11      ILE  31  -1.537  -4.662  -7.806
  208   HD12  ILE  31          HD12      ILE  31   0.075  -5.156  -8.325
  209   HD13  ILE  31          HD13      ILE  31  -0.669  -3.713  -9.013
  210    H    LYS  32           HN       LYS  32   3.292   0.057  -7.147
  211    HA   LYS  32           HA       LYS  32   2.594   0.044 -10.009
  212    HB2  LYS  32           HB2      LYS  32   2.390   2.093  -7.937
  213    HB3  LYS  32           HB1      LYS  32   3.222   2.663  -9.375
  214    HG2  LYS  32           HG2      LYS  32   0.918   1.221 -10.198
  215    HG3  LYS  32           HG1      LYS  32   0.446   2.371  -8.945
  216    HD2  LYS  32           HD2      LYS  32   1.161   4.205 -10.185
  217    HD3  LYS  32           HD1      LYS  32   2.214   3.224 -11.207
  218    HE2  LYS  32           HE2      LYS  32  -0.140   2.115 -11.825
  219    HE3  LYS  32           HE1      LYS  32  -0.695   3.734 -11.402
  220    HZ1  LYS  32           HZ1      LYS  32   1.297   3.007 -13.477
  221    HZ2  LYS  32           HZ2      LYS  32   0.997   4.597 -12.985
  222    HZ3  LYS  32           HZ3      LYS  32  -0.231   3.694 -13.717
  223    H    HIS  33           HN       HIS  33   4.877  -1.296  -9.146
  224    HA   HIS  33           HA       HIS  33   7.069  -1.531  -9.714
  225    HB2  HIS  33           HB2      HIS  33   6.196  -0.412 -11.855
  226    HB3  HIS  33           HB1      HIS  33   6.900   1.072 -11.221
  227    HD1  HIS  33           HD1      HIS  33   7.919  -0.199 -13.844
  228    HD2  HIS  33           HD2      HIS  33   9.601  -0.867 -10.103
  229    HE1  HIS  33           HE1      HIS  33  10.289  -0.913 -14.290
  230    HE2  HIS  33           HE2      HIS  33  11.309  -1.240 -12.010
  231    H    HIS  34           HN       HIS  34   8.021  -1.284  -7.744
  232    HA   HIS  34           HA       HIS  34   9.026   1.411  -7.116
  233    HB2  HIS  34           HB2      HIS  34   7.144   0.408  -5.605
  234    HB3  HIS  34           HB1      HIS  34   8.445  -0.578  -4.948
  235    HD1  HIS  34           HD1      HIS  34  10.666   1.109  -4.321
  236    HD2  HIS  34           HD2      HIS  34   6.804   2.628  -4.123
  237    HE1  HIS  34           HE1      HIS  34  10.812   3.124  -2.824
  238    HE2  HIS  34           HE2      HIS  34   8.483   4.084  -2.800
  239    H    SER  35           HN       SER  35  11.125   1.325  -7.620
  240    HA   SER  35           HA       SER  35  12.781  -0.661  -6.276
  241    HB2  SER  35           HB2      SER  35  12.221  -1.550  -8.574
  242    HB3  SER  35           HB1      SER  35  13.090  -0.170  -9.244
  243    HG   SER  35           HG       SER  35  14.145  -2.417  -8.620
  244    H    SER  36           HN       SER  36  13.446   1.128  -5.017
  245    HA   SER  36           HA       SER  36  14.756   2.901  -4.447
  246    HB2  SER  36           HB2      SER  36  16.491   2.588  -6.838
  247    HB3  SER  36           HB1      SER  36  16.930   2.724  -5.135
  248    HG   SER  36           HG       SER  36  16.372   0.483  -6.651
  249    H    GLY  37           HN       GLY  37  12.686   4.033  -5.316
  250    HA2  GLY  37           HA2      GLY  37  13.579   6.017  -7.312
  251    HA3  GLY  37           HA1      GLY  37  11.960   5.336  -7.368
  252    H    SER  38           HN       SER  38  10.882   5.482  -5.034
  253    HA   SER  38           HA       SER  38  10.441   8.229  -4.574
  254    HB2  SER  38           HB2      SER  38   8.956   6.096  -4.068
  255    HB3  SER  38           HB1      SER  38   9.728   6.213  -2.486
  256    HG   SER  38           HG       SER  38   8.204   7.623  -2.131
  257    H    SER  39           HN       SER  39  10.845   9.473  -2.676
  258    HA   SER  39           HA       SER  39  12.780   8.516  -0.753
  259    HB2  SER  39           HB2      SER  39  13.507  10.350  -2.969
  260    HB3  SER  39           HB1      SER  39  14.110  10.777  -1.368
  261    HG   SER  39           HG       SER  39  15.487   9.204  -1.506
  262    H    SER  40           HN       SER  40  11.540  11.616  -2.021
  263    HA   SER  40           HA       SER  40   9.835  12.160   0.121
  264    HB2  SER  40           HB2      SER  40  12.601  12.601   0.739
  265    HB3  SER  40           HB1      SER  40  11.764  14.153   0.705
  266    HG   SER  40           HG       SER  40  10.220  13.231   2.151
  267    H    TYR  41           HN       TYR  41  12.165  13.712  -2.069
  268    HA   TYR  41           HA       TYR  41  10.594  16.051  -2.464
  269    HB2  TYR  41           HB2      TYR  41  12.744  14.947  -4.280
  270    HB3  TYR  41           HB1      TYR  41  12.171  16.610  -4.208
  271    HD1  TYR  41           HD2      TYR  41  12.387  17.720  -1.800
  272    HD2  TYR  41           HD1      TYR  41  14.705  14.431  -3.182
  273    HE1  TYR  41           HE2      TYR  41  14.120  18.252  -0.139
  274    HE2  TYR  41           HE1      TYR  41  16.445  14.953  -1.524
  275    HH   TYR  41           HH       TYR  41  15.967  16.944   1.075
  276    H    HIS  42           HN       HIS  42   8.975  16.446  -3.840
  277    HA   HIS  42           HA       HIS  42   7.265  16.029  -5.288
  278    HB2  HIS  42           HB2      HIS  42   9.746  15.253  -6.732
  279    HB3  HIS  42           HB1      HIS  42   8.212  14.798  -7.466
  280    HD1  HIS  42           HD1      HIS  42   8.586  16.469  -9.413
  281    HD2  HIS  42           HD2      HIS  42   8.414  18.233  -5.655
  282    HE1  HIS  42           HE1      HIS  42   8.330  18.934  -9.839
  283    HE2  HIS  42           HE2      HIS  42   8.161  19.974  -7.551
  284    H    CYS  43           HN       CYS  43   6.400  14.505  -3.683
  285    HA   CYS  43           HA       CYS  43   5.389  12.546  -3.122
  286    HB2  CYS  43           HB2      CYS  43   4.493  12.746  -5.421
  287    HB3  CYS  43           HB1      CYS  43   5.872  11.833  -6.022
  288    H1   NAG  44           H1       NAG  44 -14.472   8.716   4.141
  289    H2   NAG  44           H2       NAG  44 -14.475  11.417   3.487
  290    H3   NAG  44           H3       NAG  44 -16.579  11.859   2.332
  291    H4   NAG  44           H4       NAG  44 -17.596   9.838   1.050
  292    H5   NAG  44           H5       NAG  44 -16.809   8.108   3.344
  293    H61  NAG  44           H61      NAG  44 -16.289   6.870   0.864
  294    H62  NAG  44           H62      NAG  44 -17.732   7.872   0.583
  295    H81  NAG  44           H81      NAG  44 -16.867  10.196   7.046
  296    H82  NAG  44           H82      NAG  44 -16.176  11.706   7.701
  297    H83  NAG  44           H83      NAG  44 -17.632  11.765   6.672
  298    HN2  NAG  44           HN2      NAG  44 -16.701   9.847   4.694
  299    HO3  NAG  44           HO3      NAG  44 -15.857  11.200   0.281
  300    HO4  NAG  44           HO4      NAG  44 -18.642   9.221   3.244
  301    HO6  NAG  44           HO6      NAG  44 -18.854   6.544   1.807
  302    H1   NAG  45           H1       NAG  45   1.948  10.154  -4.679
  303    H2   NAG  45           H2       NAG  45   3.117  12.303  -2.855
  304    H3   NAG  45           H3       NAG  45   0.301  11.136  -3.030
  305    H4   NAG  45           H4       NAG  45   1.350  13.928  -3.706
  306    H5   NAG  45           H5       NAG  45   0.246  11.722  -5.509
  307    H61  NAG  45           H61      NAG  45   0.045  14.416  -5.946
  308    H62  NAG  45           H62      NAG  45   0.174  13.185  -7.221
  309    H81  NAG  45           H81      NAG  45   4.097   9.715   0.752
  310    H82  NAG  45           H82      NAG  45   2.926   8.744  -0.186
  311    H83  NAG  45           H83      NAG  45   4.661   8.706  -0.610
  312    HN2  NAG  45           HN2      NAG  45   2.137   9.580  -2.145
  313    HO3  NAG  45           HO3      NAG  45  -0.066  12.345  -1.274
  314    HO4  NAG  45           HO4      NAG  45  -0.717  14.232  -3.152
  315    HO6  NAG  45           HO6      NAG  45   1.791  15.134  -6.997
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1  -8.790 -18.331  -3.903
    2    H2   LYS   1           HT2      LYS   1  -7.425 -19.178  -3.299
    3    H3   LYS   1           HT3      LYS   1  -7.220 -17.933  -4.463
    4    HA   LYS   1           HA       LYS   1  -8.335 -17.529  -1.776
    5    HB2  LYS   1           HB2      LYS   1  -6.053 -18.316  -1.593
    6    HB3  LYS   1           HB1      LYS   1  -5.526 -17.194  -2.841
    7    HG2  LYS   1           HG2      LYS   1  -6.683 -15.536  -0.983
    8    HG3  LYS   1           HG1      LYS   1  -5.912 -16.775   0.011
    9    HD2  LYS   1           HD2      LYS   1  -4.291 -15.756  -2.227
   10    HD3  LYS   1           HD1      LYS   1  -4.640 -14.589  -0.950
   11    HE2  LYS   1           HE2      LYS   1  -3.784 -16.195   0.713
   12    HE3  LYS   1           HE1      LYS   1  -3.380 -17.306  -0.594
   13    HZ1  LYS   1           HZ1      LYS   1  -1.510 -16.208  -1.002
   14    HZ2  LYS   1           HZ2      LYS   1  -1.764 -15.354   0.436
   15    HZ3  LYS   1           HZ3      LYS   1  -2.291 -14.707  -1.035
   16    HA   PRO   2           HA       PRO   2  -9.427 -13.714  -3.874
   17    HB2  PRO   2           HB2      PRO   2 -10.686 -12.513  -1.823
   18    HB3  PRO   2           HB1      PRO   2 -11.407 -13.873  -2.696
   19    HG2  PRO   2           HG2      PRO   2  -9.979 -13.853  -0.065
   20    HG3  PRO   2           HG1      PRO   2 -11.460 -14.710  -0.528
   21    HD2  PRO   2           HD2      PRO   2  -8.996 -15.891  -0.434
   22    HD3  PRO   2           HD1      PRO   2 -10.303 -16.431  -1.507
   23    H    ALA   3           HN       ALA   3  -9.493 -11.262  -2.838
   24    HA   ALA   3           HA       ALA   3  -7.171 -10.676  -1.233
   25    HB1  ALA   3           HB1      ALA   3  -6.604  -9.068  -3.404
   26    HB2  ALA   3           HB2      ALA   3  -7.015 -10.620  -4.134
   27    HB3  ALA   3           HB3      ALA   3  -5.730 -10.524  -2.930
   28    H    TRP   4           HN       TRP   4  -8.453  -9.502   0.131
   29    HA   TRP   4           HA       TRP   4 -10.443  -7.677  -0.668
   30    HB2  TRP   4           HB2      TRP   4  -9.415  -8.679   1.761
   31    HB3  TRP   4           HB1      TRP   4  -9.304  -6.927   1.862
   32    HD1  TRP   4           HD1      TRP   4 -11.863  -9.747   1.556
   33    HE1  TRP   4           HE1      TRP   4 -14.184  -8.826   2.185
   34    HE3  TRP   4           HE3      TRP   4 -10.686  -4.790   1.949
   35    HZ2  TRP   4           HZ2      TRP   4 -15.358  -6.327   2.769
   36    HZ3  TRP   4           HZ3      TRP   4 -12.465  -3.199   2.547
   37    HH2  TRP   4           HH2      TRP   4 -14.752  -3.953   2.947
   38    H    CYS   5           HN       CYS   5  -7.045  -7.410  -0.756
   39    HA   CYS   5           HA       CYS   5  -6.560  -4.749  -0.193
   40    HB2  CYS   5           HB2      CYS   5  -5.302  -6.492  -2.319
   41    HB3  CYS   5           HB1      CYS   5  -4.659  -4.938  -1.799
   42    H    TRP   6           HN       TRP   6  -6.653  -5.857  -3.568
   43    HA   TRP   6           HA       TRP   6  -7.068  -3.458  -4.771
   44    HB2  TRP   6           HB2      TRP   6  -8.039  -4.658  -6.665
   45    HB3  TRP   6           HB1      TRP   6  -6.635  -5.504  -6.018
   46    HD1  TRP   6           HD1      TRP   6  -6.992  -7.878  -5.058
   47    HE1  TRP   6           HE1      TRP   6  -8.999  -9.503  -5.004
   48    HE3  TRP   6           HE3      TRP   6 -10.655  -4.628  -6.432
   49    HZ2  TRP   6           HZ2      TRP   6 -11.791  -9.391  -5.481
   50    HZ3  TRP   6           HZ3      TRP   6 -12.972  -5.447  -6.612
   51    HH2  TRP   6           HH2      TRP   6 -13.527  -7.780  -6.144
   52    H    TYR   7           HN       TYR   7  -9.574  -5.618  -3.505
   53    HA   TYR   7           HA       TYR   7 -11.867  -4.405  -4.356
   54    HB2  TYR   7           HB2      TYR   7 -11.750  -6.450  -2.935
   55    HB3  TYR   7           HB1      TYR   7 -11.414  -5.424  -1.544
   56    HD1  TYR   7           HD1      TYR   7 -13.809  -4.650  -4.256
   57    HD2  TYR   7           HD2      TYR   7 -13.318  -5.925  -0.227
   58    HE1  TYR   7           HE1      TYR   7 -16.224  -4.378  -3.882
   59    HE2  TYR   7           HE2      TYR   7 -15.732  -5.657   0.158
   60    HH   TYR   7           HH       TYR   7 -17.890  -5.714  -1.579
   61    H    THR   8           HN       THR   8 -10.001  -3.514  -1.463
   62    HA   THR   8           HA       THR   8 -11.601  -1.383  -0.626
   63    HB   THR   8           HB       THR   8  -8.658  -1.964  -0.286
   64    HG1  THR   8           HG1      THR   8  -9.804  -3.322   0.940
   65   HG21  THR   8          HG21      THR   8  -8.298   0.102   0.428
   66   HG22  THR   8          HG22      THR   8  -9.376  -0.266   1.775
   67   HG23  THR   8          HG23      THR   8 -10.012   0.512   0.327
   68    H    LEU   9           HN       LEU   9  -9.010  -1.548  -3.001
   69    HA   LEU   9           HA       LEU   9  -8.892   1.288  -3.408
   70    HB2  LEU   9           HB2      LEU   9  -7.766  -1.063  -4.908
   71    HB3  LEU   9           HB1      LEU   9  -7.558   0.586  -5.462
   72    HG   LEU   9           HG       LEU   9  -6.250   1.166  -3.563
   73   HD11  LEU   9          HD11      LEU   9  -7.028  -1.517  -2.434
   74   HD12  LEU   9          HD12      LEU   9  -7.523   0.066  -1.834
   75   HD13  LEU   9          HD13      LEU   9  -5.833  -0.431  -1.725
   76   HD21  LEU   9          HD21      LEU   9  -4.661  -1.024  -3.580
   77   HD22  LEU   9          HD22      LEU   9  -4.662   0.212  -4.838
   78   HD23  LEU   9          HD23      LEU   9  -5.587  -1.275  -5.061
   79    H    ALA  10           HN       ALA  10 -10.297  -1.425  -5.222
   80    HA   ALA  10           HA       ALA  10 -11.175  -0.181  -7.484
   81    HB1  ALA  10           HB1      ALA  10 -12.942  -2.113  -6.022
   82    HB2  ALA  10           HB2      ALA  10 -11.430  -2.621  -6.774
   83    HB3  ALA  10           HB3      ALA  10 -12.713  -1.920  -7.760
   84    H    MET  11           HN       MET  11 -13.107  -0.493  -4.495
   85    HA   MET  11           HA       MET  11 -15.078   1.366  -5.442
   86    HB2  MET  11           HB2      MET  11 -14.724  -0.394  -3.127
   87    HB3  MET  11           HB1      MET  11 -15.521   1.126  -2.740
   88    HG2  MET  11           HG2      MET  11 -17.085   0.635  -4.673
   89    HG3  MET  11           HG1      MET  11 -16.400  -0.991  -4.679
   90    HE1  MET  11           HE1      MET  11 -19.943   0.198  -3.235
   91    HE2  MET  11           HE2      MET  11 -19.796  -1.529  -3.562
   92    HE3  MET  11           HE3      MET  11 -19.123  -0.356  -4.695
   93    H    CYS  12           HN       CYS  12 -12.048   1.701  -3.934
   94    HA   CYS  12           HA       CYS  12 -12.294   3.798  -2.192
   95    HB2  CYS  12           HB2      CYS  12 -10.177   2.601  -2.757
   96    HB3  CYS  12           HB1      CYS  12 -10.100   3.525  -4.252
   97    H    GLY  13           HN       GLY  13 -12.101   6.065  -2.369
   98    HA2  GLY  13           HA2      GLY  13 -12.891   7.148  -5.003
   99    HA3  GLY  13           HA1      GLY  13 -13.614   7.709  -3.501
  100    H    ALA  14           HN       ALA  14 -10.487   7.391  -5.141
  101    HA   ALA  14           HA       ALA  14  -8.760   8.876  -5.357
  102    HB1  ALA  14           HB1      ALA  14  -9.938  10.945  -3.600
  103    HB2  ALA  14           HB2      ALA  14 -10.812  10.572  -5.085
  104    HB3  ALA  14           HB3      ALA  14  -9.132  11.104  -5.161
  105    H    GLY  15           HN       GLY  15  -7.961   7.083  -3.905
  106    HA2  GLY  15           HA2      GLY  15  -7.772   7.084  -1.193
  107    HA3  GLY  15           HA1      GLY  15  -6.463   6.556  -2.237
  108    H    TYR  16           HN       TYR  16  -7.102   8.439   0.302
  109    HA   TYR  16           HA       TYR  16  -4.660   9.687   0.454
  110    HB2  TYR  16           HB2      TYR  16  -6.204  10.992  -1.476
  111    HB3  TYR  16           HB1      TYR  16  -6.314  12.012  -0.045
  112    HD1  TYR  16           HD2      TYR  16  -3.720  11.814   1.189
  113    HD2  TYR  16           HD1      TYR  16  -4.705  11.969  -2.947
  114    HE1  TYR  16           HE2      TYR  16  -1.500  12.751   0.702
  115    HE2  TYR  16           HE1      TYR  16  -2.486  12.907  -3.446
  116    HH   TYR  16           HH       TYR  16  -0.713  14.186  -2.235
  117    H    ASP  17           HN       ASP  17  -5.057   8.968   2.565
  118    HA   ASP  17           HA       ASP  17  -5.793   9.057   4.724
  119    HB2  ASP  17           HB2      ASP  17  -6.136  12.013   4.241
  120    HB3  ASP  17           HB1      ASP  17  -5.672  11.201   5.732
  121    H    SER  18           HN       SER  18  -7.824   8.213   3.164
  122    HA   SER  18           HA       SER  18 -10.175   9.808   3.877
  123    HB2  SER  18           HB2      SER  18  -9.742   8.870   1.506
  124    HB3  SER  18           HB1      SER  18 -10.228   7.318   2.187
  125    H    GLY  19           HN       GLY  19  -9.541   6.296   3.698
  126    HA2  GLY  19           HA2      GLY  19 -10.155   5.901   6.467
  127    HA3  GLY  19           HA1      GLY  19 -11.497   5.453   5.428
  128    H    THR  20           HN       THR  20 -11.270   3.684   4.004
  129    HA   THR  20           HA       THR  20  -9.588   1.608   5.021
  130    HB   THR  20           HB       THR  20 -10.975   1.251   2.425
  131    HG1  THR  20           HG1      THR  20 -12.338   1.772   4.851
  132   HG21  THR  20          HG21      THR  20 -11.906  -0.569   4.315
  133   HG22  THR  20          HG22      THR  20 -10.185  -0.381   4.650
  134   HG23  THR  20          HG23      THR  20 -10.724  -0.858   3.040
  135    H    CYS  21           HN       CYS  21  -9.645   3.578   2.090
  136    HA   CYS  21           HA       CYS  21  -7.774   2.281   0.548
  137    HB2  CYS  21           HB2      CYS  21  -7.932   5.284   0.816
  138    HB3  CYS  21           HB1      CYS  21  -7.414   4.360  -0.590
  139    H    ASP  22           HN       ASP  22  -6.931   5.157   2.479
  140    HA   ASP  22           HA       ASP  22  -4.199   4.900   2.352
  141    HB2  ASP  22           HB2      ASP  22  -5.698   6.766   3.391
  142    HB3  ASP  22           HB1      ASP  22  -5.477   5.864   4.888
  143    H    TYR  23           HN       TYR  23  -6.427   3.166   4.423
  144    HA   TYR  23           HA       TYR  23  -4.338   2.107   6.104
  145    HB2  TYR  23           HB2      TYR  23  -7.070   2.431   6.381
  146    HB3  TYR  23           HB1      TYR  23  -6.888   0.692   6.186
  147    HD1  TYR  23           HD1      TYR  23  -4.930   3.344   7.955
  148    HD2  TYR  23           HD2      TYR  23  -6.931  -0.401   8.215
  149    HE1  TYR  23           HE1      TYR  23  -4.264   3.160  10.314
  150    HE2  TYR  23           HE2      TYR  23  -6.271  -0.595  10.575
  151    HH   TYR  23           HH       TYR  23  -4.068   1.691  12.063
  152    H    MET  24           HN       MET  24  -6.820   0.325   4.274
  153    HA   MET  24           HA       MET  24  -5.549  -2.089   4.126
  154    HB2  MET  24           HB2      MET  24  -7.748  -0.792   2.808
  155    HB3  MET  24           HB1      MET  24  -6.848  -1.751   1.644
  156    HG2  MET  24           HG2      MET  24  -7.547  -2.990   4.253
  157    HG3  MET  24           HG1      MET  24  -8.818  -2.780   3.045
  158    HE1  MET  24           HE1      MET  24  -5.553  -4.065   4.053
  159    HE2  MET  24           HE2      MET  24  -5.046  -5.262   2.862
  160    HE3  MET  24           HE3      MET  24  -6.237  -5.690   4.091
  161    H    TYR  25           HN       TYR  25  -5.328   0.556   1.757
  162    HA   TYR  25           HA       TYR  25  -3.670  -0.618  -0.108
  163    HB2  TYR  25           HB2      TYR  25  -4.728   1.638  -0.287
  164    HB3  TYR  25           HB1      TYR  25  -3.511   2.258   0.812
  165    HD1  TYR  25           HD1      TYR  25  -3.880   0.536  -2.466
  166    HD2  TYR  25           HD2      TYR  25  -1.490   3.068  -0.023
  167    HE1  TYR  25           HE1      TYR  25  -2.380   0.945  -4.369
  168    HE2  TYR  25           HE2      TYR  25   0.018   3.486  -1.920
  169    HH   TYR  25           HH       TYR  25   0.181   3.324  -4.214
  170    H    SER  26           HN       SER  26  -2.485   1.670   2.331
  171    HA   SER  26           HA       SER  26   0.200   1.203   2.108
  172    HB2  SER  26           HB2      SER  26  -1.549   2.139   4.320
  173    HB3  SER  26           HB1      SER  26   0.100   1.681   4.745
  174    HG   SER  26           HG       SER  26  -0.752   3.659   2.909
  175    H    HIS  27           HN       HIS  27  -1.983  -0.450   4.394
  176    HA   HIS  27           HA       HIS  27  -0.170  -2.168   5.561
  177    HB2  HIS  27           HB2      HIS  27  -3.092  -2.170   5.132
  178    HB3  HIS  27           HB1      HIS  27  -2.379  -3.744   5.459
  179    HD1  HIS  27           HD1      HIS  27  -2.435  -4.297   7.857
  180    HD2  HIS  27           HD2      HIS  27  -2.023  -0.209   7.236
  181    HE1  HIS  27           HE1      HIS  27  -2.359  -3.273  10.152
  182    HE2  HIS  27           HE2      HIS  27  -2.037  -0.806   9.752
  183    H    CYS  28           HN       CYS  28  -2.306  -2.985   2.821
  184    HA   CYS  28           HA       CYS  28  -1.169  -5.452   2.223
  185    HB2  CYS  28           HB2      CYS  28  -3.323  -4.461   1.308
  186    HB3  CYS  28           HB1      CYS  28  -2.325  -3.572   0.163
  187    H    PHE  29           HN       PHE  29  -0.356  -2.231   0.986
  188    HA   PHE  29           HA       PHE  29   2.096  -3.378  -0.177
  189    HB2  PHE  29           HB2      PHE  29   0.767  -0.791  -0.976
  190    HB3  PHE  29           HB1      PHE  29   2.104  -1.592  -1.790
  191    HD1  PHE  29           HD2      PHE  29   1.061  -4.400  -1.730
  192    HD2  PHE  29           HD1      PHE  29  -0.833  -0.710  -2.683
  193    HE1  PHE  29           HE2      PHE  29  -0.532  -5.594  -3.177
  194    HE2  PHE  29           HE1      PHE  29  -2.428  -1.897  -4.131
  195    HZ   PHE  29           HZ       PHE  29  -2.278  -4.343  -4.380
  196    H    GLY  30           HN       GLY  30   3.189  -3.198   1.830
  197    HA2  GLY  30           HA2      GLY  30   3.506  -0.575   3.018
  198    HA3  GLY  30           HA1      GLY  30   4.205  -2.073   3.604
  199    H    ILE  31           HN       ILE  31   4.846  -1.891   0.346
  200    HA   ILE  31           HA       ILE  31   6.790  -1.610  -0.809
  201    HB   ILE  31           HB       ILE  31   7.078   0.906   0.830
  202   HG12  ILE  31          HG12      ILE  31   5.812   1.126  -1.803
  203   HG13  ILE  31          HG11      ILE  31   4.855   0.207  -0.645
  204   HG21  ILE  31          HG21      ILE  31   9.027   0.630  -0.424
  205   HG22  ILE  31          HG22      ILE  31   8.033   1.698  -1.415
  206   HG23  ILE  31          HG23      ILE  31   8.154  -0.017  -1.812
  207   HD11  ILE  31          HD11      ILE  31   5.250   3.039  -0.851
  208   HD12  ILE  31          HD12      ILE  31   5.733   2.459   0.744
  209   HD13  ILE  31          HD13      ILE  31   4.108   2.132   0.140
  210    H    LYS  32           HN       LYS  32   7.783  -3.432   0.252
  211    HA   LYS  32           HA       LYS  32  10.023  -2.617   1.980
  212    HB2  LYS  32           HB2      LYS  32   7.994  -4.053   2.962
  213    HB3  LYS  32           HB1      LYS  32   8.926  -5.368   2.261
  214    HG2  LYS  32           HG2      LYS  32   9.949  -3.372   4.271
  215    HG3  LYS  32           HG1      LYS  32   9.463  -5.033   4.615
  216    HD2  LYS  32           HD2      LYS  32  11.221  -5.841   3.096
  217    HD3  LYS  32           HD1      LYS  32  11.720  -4.174   2.805
  218    HE2  LYS  32           HE2      LYS  32  12.664  -3.950   4.874
  219    HE3  LYS  32           HE1      LYS  32  11.565  -5.108   5.620
  220    HZ1  LYS  32           HZ1      LYS  32  14.050  -5.714   5.213
  221    HZ2  LYS  32           HZ2      LYS  32  13.514  -6.071   3.649
  222    HZ3  LYS  32           HZ3      LYS  32  12.842  -6.875   4.976
  223    H    HIS  33           HN       HIS  33  10.619  -2.547  -0.538
  224    HA   HIS  33           HA       HIS  33  12.561  -4.566  -0.905
  225    HB2  HIS  33           HB2      HIS  33  10.101  -5.451  -1.691
  226    HB3  HIS  33           HB1      HIS  33  10.714  -4.763  -3.192
  227    HD1  HIS  33           HD1      HIS  33  12.511  -6.053  -4.421
  228    HD2  HIS  33           HD2      HIS  33  11.640  -7.638  -0.679
  229    HE1  HIS  33           HE1      HIS  33  13.702  -8.267  -4.334
  230    HE2  HIS  33           HE2      HIS  33  13.202  -9.185  -2.042
  231    H    HIS  34           HN       HIS  34  12.936  -1.945  -0.837
  232    HA   HIS  34           HA       HIS  34  14.211  -1.356  -3.267
  233    HB2  HIS  34           HB2      HIS  34  11.429  -0.651  -3.193
  234    HB3  HIS  34           HB1      HIS  34  12.398   0.818  -3.249
  235    HD1  HIS  34           HD1      HIS  34  11.482  -2.193  -5.257
  236    HD2  HIS  34           HD2      HIS  34  13.821   1.220  -5.637
  237    HE1  HIS  34           HE1      HIS  34  12.083  -2.058  -7.695
  238    HE2  HIS  34           HE2      HIS  34  13.454   0.044  -7.911
  239    H    SER  35           HN       SER  35  15.253   0.759  -3.259
  240    HA   SER  35           HA       SER  35  15.351   1.982  -0.582
  241    HB2  SER  35           HB2      SER  35  17.867   2.158  -2.047
  242    HB3  SER  35           HB1      SER  35  17.566   1.631  -0.392
  243    HG   SER  35           HG       SER  35  17.789  -0.336  -1.063
  244    H    SER  36           HN       SER  36  14.738   4.030  -0.670
  245    HA   SER  36           HA       SER  36  14.972   5.492  -3.194
  246    HB2  SER  36           HB2      SER  36  13.073   5.480  -0.999
  247    HB3  SER  36           HB1      SER  36  13.633   7.115  -1.354
  248    HG   SER  36           HG       SER  36  12.290   5.292  -3.029
  249    H    GLY  37           HN       GLY  37  15.146   6.568   0.198
  250    HA2  GLY  37           HA2      GLY  37  17.162   8.520  -0.512
  251    HA3  GLY  37           HA1      GLY  37  16.427   8.303   1.069
  252    H    SER  38           HN       SER  38  17.424   7.038   2.583
  253    HA   SER  38           HA       SER  38  19.060   5.826   3.606
  254    HB2  SER  38           HB2      SER  38  18.667   4.362   1.474
  255    HB3  SER  38           HB1      SER  38  20.220   5.022   0.958
  256    HG   SER  38           HG       SER  38  21.082   3.572   2.193
  257    H    SER  39           HN       SER  39  20.634   6.908   0.594
  258    HA   SER  39           HA       SER  39  22.034   9.051   1.755
  259    HB2  SER  39           HB2      SER  39  23.164   7.121   2.929
  260    HB3  SER  39           HB1      SER  39  23.767   6.605   1.354
  261    HG   SER  39           HG       SER  39  24.307   9.040   2.704
  262    H    SER  40           HN       SER  40  21.034   9.676  -0.319
  263    HA   SER  40           HA       SER  40  22.840   9.085  -2.572
  264    HB2  SER  40           HB2      SER  40  19.917   9.794  -2.864
  265    HB3  SER  40           HB1      SER  40  21.010   9.175  -4.101
  266    HG   SER  40           HG       SER  40  19.429   7.720  -2.798
  267    H    TYR  41           HN       TYR  41  20.596  11.474  -1.203
  268    HA   TYR  41           HA       TYR  41  22.307  13.588  -2.329
  269    HB2  TYR  41           HB2      TYR  41  19.294  13.465  -2.241
  270    HB3  TYR  41           HB1      TYR  41  20.175  14.972  -2.478
  271    HD1  TYR  41           HD2      TYR  41  22.175  14.587  -4.353
  272    HD2  TYR  41           HD1      TYR  41  18.423  12.589  -4.177
  273    HE1  TYR  41           HE2      TYR  41  22.310  14.134  -6.766
  274    HE2  TYR  41           HE1      TYR  41  18.547  12.130  -6.590
  275    HH   TYR  41           HH       TYR  41  19.878  13.402  -8.638
  276    H    HIS  42           HN       HIS  42  22.812  15.266  -1.003
  277    HA   HIS  42           HA       HIS  42  21.949  15.006   1.789
  278    HB2  HIS  42           HB2      HIS  42  24.428  15.951   0.458
  279    HB3  HIS  42           HB1      HIS  42  23.961  16.784   1.937
  280    HD1  HIS  42           HD1      HIS  42  26.277  15.649   2.795
  281    HD2  HIS  42           HD2      HIS  42  23.067  13.093   2.144
  282    HE1  HIS  42           HE1      HIS  42  26.844  13.530   4.026
  283    HE2  HIS  42           HE2      HIS  42  24.915  11.975   3.564
  284    H    CYS  43           HN       CYS  43  20.072  16.129   0.131
  285    HA   CYS  43           HA       CYS  43  20.290  19.026   0.429
  286    HB2  CYS  43           HB2      CYS  43  19.478  18.083  -1.716
  287    HB3  CYS  43           HB1      CYS  43  18.106  17.380  -0.868
  288    H1   NAG  44           H1       NAG  44 -11.042  10.772   2.343
  289    H2   NAG  44           H2       NAG  44 -12.119  10.426   0.125
  290    H3   NAG  44           H3       NAG  44 -14.598  10.439   0.021
  291    H4   NAG  44           H4       NAG  44 -15.838   9.693   2.091
  292    H5   NAG  44           H5       NAG  44 -14.733  10.357   4.296
  293    H61  NAG  44           H61      NAG  44 -13.652   7.974   2.751
  294    H62  NAG  44           H62      NAG  44 -15.025   8.012   3.872
  295    H81  NAG  44           H81      NAG  44 -12.749  14.685   1.260
  296    H82  NAG  44           H82      NAG  44 -11.640  14.939  -0.118
  297    H83  NAG  44           H83      NAG  44 -13.388  14.721  -0.407
  298    HN2  NAG  44           HN2      NAG  44 -13.381  12.561   1.777
  299    HO3  NAG  44           HO3      NAG  44 -14.650   8.281   0.245
  300    HO4  NAG  44           HO4      NAG  44 -15.644  11.883   3.058
  301    HO6  NAG  44           HO6      NAG  44 -13.516   8.538   5.554
  302    H1   NAG  45           H1       NAG  45  17.337  18.532  -3.136
  303    H2   NAG  45           H2       NAG  45  15.003  20.120  -1.975
  304    H3   NAG  45           H3       NAG  45  15.140  18.140  -4.301
  305    H4   NAG  45           H4       NAG  45  14.632  21.155  -4.296
  306    H5   NAG  45           H5       NAG  45  17.015  19.554  -5.338
  307    H61  NAG  45           H61      NAG  45  18.035  21.793  -5.662
  308    H62  NAG  45           H62      NAG  45  16.493  22.555  -5.215
  309    H81  NAG  45           H81      NAG  45  13.555  15.693  -0.958
  310    H82  NAG  45           H82      NAG  45  14.698  16.349   0.247
  311    H83  NAG  45           H83      NAG  45  12.952  16.688   0.396
  312    HN2  NAG  45           HN2      NAG  45  15.898  17.440  -1.433
  313    HO3  NAG  45           HO3      NAG  45  12.996  18.384  -4.363
  314    HO4  NAG  45           HO4      NAG  45  14.750  19.151  -6.334
  315    HO6  NAG  45           HO6      NAG  45  16.869  20.755  -7.416
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1  -5.300 -16.743   3.736
    2    H2   LYS   1           HT2      LYS   1  -5.101 -18.271   2.981
    3    H3   LYS   1           HT3      LYS   1  -6.528 -17.355   2.708
    4    HA   LYS   1           HA       LYS   1  -3.845 -16.398   1.999
    5    HB2  LYS   1           HB2      LYS   1  -4.640 -17.101  -0.351
    6    HB3  LYS   1           HB1      LYS   1  -4.036 -18.354   0.723
    7    HG2  LYS   1           HG2      LYS   1  -6.108 -19.287   1.030
    8    HG3  LYS   1           HG1      LYS   1  -6.957 -17.782   0.673
    9    HD2  LYS   1           HD2      LYS   1  -5.372 -19.184  -1.448
   10    HD3  LYS   1           HD1      LYS   1  -7.016 -19.699  -1.065
   11    HE2  LYS   1           HE2      LYS   1  -7.469 -17.092  -1.296
   12    HE3  LYS   1           HE1      LYS   1  -6.049 -17.196  -2.335
   13    HZ1  LYS   1           HZ1      LYS   1  -8.732 -18.125  -2.799
   14    HZ2  LYS   1           HZ2      LYS   1  -7.554 -19.285  -3.157
   15    HZ3  LYS   1           HZ3      LYS   1  -7.502 -17.770  -3.907
   16    HA   PRO   2           HA       PRO   2  -7.138 -13.130   1.707
   17    HB2  PRO   2           HB2      PRO   2  -5.636 -11.134   2.757
   18    HB3  PRO   2           HB1      PRO   2  -6.557 -12.263   3.757
   19    HG2  PRO   2           HG2      PRO   2  -3.641 -12.278   3.079
   20    HG3  PRO   2           HG1      PRO   2  -4.429 -12.581   4.639
   21    HD2  PRO   2           HD2      PRO   2  -3.540 -14.578   3.033
   22    HD3  PRO   2           HD1      PRO   2  -4.950 -14.758   4.095
   23    H    ALA   3           HN       ALA   3  -7.262 -11.395   0.253
   24    HA   ALA   3           HA       ALA   3  -5.069 -10.241  -1.076
   25    HB1  ALA   3           HB1      ALA   3  -4.623 -12.247  -2.186
   26    HB2  ALA   3           HB2      ALA   3  -5.559 -11.310  -3.351
   27    HB3  ALA   3           HB3      ALA   3  -6.334 -12.599  -2.431
   28    H    TRP   4           HN       TRP   4  -7.481  -9.353   0.090
   29    HA   TRP   4           HA       TRP   4  -9.088  -8.482  -2.200
   30    HB2  TRP   4           HB2      TRP   4 -10.631  -7.646  -0.328
   31    HB3  TRP   4           HB1      TRP   4 -10.512  -9.381  -0.571
   32    HD1  TRP   4           HD1      TRP   4  -9.054 -10.754   1.272
   33    HE1  TRP   4           HE1      TRP   4  -8.611 -10.245   3.758
   34    HE3  TRP   4           HE3      TRP   4 -10.294  -5.808   1.301
   35    HZ2  TRP   4           HZ2      TRP   4  -8.772  -8.026   5.502
   36    HZ3  TRP   4           HZ3      TRP   4 -10.127  -4.556   3.417
   37    HH2  TRP   4           HH2      TRP   4  -9.381  -5.644   5.471
   38    H    CYS   5           HN       CYS   5  -6.428  -7.419  -1.518
   39    HA   CYS   5           HA       CYS   5  -6.604  -4.893  -0.299
   40    HB2  CYS   5           HB2      CYS   5  -4.676  -5.551  -2.520
   41    HB3  CYS   5           HB1      CYS   5  -4.432  -4.482  -1.144
   42    H    TRP   6           HN       TRP   6  -6.346  -5.628  -3.783
   43    HA   TRP   6           HA       TRP   6  -6.814  -3.131  -4.796
   44    HB2  TRP   6           HB2      TRP   6  -7.776  -4.303  -6.799
   45    HB3  TRP   6           HB1      TRP   6  -6.197  -4.888  -6.279
   46    HD1  TRP   6           HD1      TRP   6  -6.004  -7.372  -5.633
   47    HE1  TRP   6           HE1      TRP   6  -7.655  -9.357  -5.567
   48    HE3  TRP   6           HE3      TRP   6 -10.339  -4.791  -6.260
   49    HZ2  TRP   6           HZ2      TRP   6 -10.455  -9.753  -5.756
   50    HZ3  TRP   6           HZ3      TRP   6 -12.471  -6.030  -6.307
   51    HH2  TRP   6           HH2      TRP   6 -12.523  -8.460  -6.058
   52    H    TYR   7           HN       TYR   7  -9.129  -5.432  -3.533
   53    HA   TYR   7           HA       TYR   7 -11.520  -4.349  -4.428
   54    HB2  TYR   7           HB2      TYR   7 -10.700  -6.219  -2.442
   55    HB3  TYR   7           HB1      TYR   7 -11.853  -5.117  -1.698
   56    HD1  TYR   7           HD2      TYR   7 -13.646  -4.548  -3.990
   57    HD2  TYR   7           HD1      TYR   7 -11.880  -8.188  -2.695
   58    HE1  TYR   7           HE2      TYR   7 -15.496  -5.799  -5.019
   59    HE2  TYR   7           HE1      TYR   7 -13.724  -9.458  -3.719
   60    HH   TYR   7           HH       TYR   7 -15.512  -8.666  -5.898
   61    H    THR   8           HN       THR   8  -9.870  -3.684  -1.354
   62    HA   THR   8           HA       THR   8 -11.468  -1.653  -0.399
   63    HB   THR   8           HB       THR   8  -8.485  -2.066  -0.162
   64    HG1  THR   8           HG1      THR   8  -9.898  -3.601   0.818
   65   HG21  THR   8          HG21      THR   8  -9.859   0.295   0.542
   66   HG22  THR   8          HG22      THR   8  -8.197  -0.162   0.917
   67   HG23  THR   8          HG23      THR   8  -9.501  -0.576   2.032
   68    H    LEU   9           HN       LEU   9  -9.031  -1.553  -2.905
   69    HA   LEU   9           HA       LEU   9  -9.057   1.327  -3.111
   70    HB2  LEU   9           HB2      LEU   9  -7.805  -0.876  -4.728
   71    HB3  LEU   9           HB1      LEU   9  -7.752   0.795  -5.254
   72    HG   LEU   9           HG       LEU   9  -5.711  -0.050  -4.025
   73   HD11  LEU   9          HD11      LEU   9  -5.721   2.036  -2.473
   74   HD12  LEU   9          HD12      LEU   9  -7.252   2.394  -3.271
   75   HD13  LEU   9          HD13      LEU   9  -5.774   2.246  -4.223
   76   HD21  LEU   9          HD21      LEU   9  -5.764  -0.386  -1.706
   77   HD22  LEU   9          HD22      LEU   9  -7.164  -1.270  -2.313
   78   HD23  LEU   9          HD23      LEU   9  -7.380   0.307  -1.553
   79    H    ALA  10           HN       ALA  10 -10.472  -1.402  -4.831
   80    HA   ALA  10           HA       ALA  10 -11.539   0.047  -7.003
   81    HB1  ALA  10           HB1      ALA  10 -13.021  -2.336  -6.096
   82    HB2  ALA  10           HB2      ALA  10 -11.308  -2.574  -6.444
   83    HB3  ALA  10           HB3      ALA  10 -12.380  -1.933  -7.688
   84    H    MET  11           HN       MET  11 -12.875  -0.842  -3.847
   85    HA   MET  11           HA       MET  11 -15.438   0.330  -4.400
   86    HB2  MET  11           HB2      MET  11 -16.015  -0.265  -2.155
   87    HB3  MET  11           HB1      MET  11 -15.089  -1.591  -2.844
   88    HG2  MET  11           HG2      MET  11 -13.063  -0.518  -1.707
   89    HG3  MET  11           HG1      MET  11 -14.245   0.414  -0.786
   90    HE1  MET  11           HE1      MET  11 -16.043  -0.456   0.494
   91    HE2  MET  11           HE2      MET  11 -15.909  -1.875   1.533
   92    HE3  MET  11           HE3      MET  11 -16.639  -2.018  -0.066
   93    H    CYS  12           HN       CYS  12 -12.534   1.772  -3.910
   94    HA   CYS  12           HA       CYS  12 -13.231   3.771  -1.993
   95    HB2  CYS  12           HB2      CYS  12 -10.878   2.921  -3.106
   96    HB3  CYS  12           HB1      CYS  12 -11.132   4.452  -3.937
   97    H    GLY  13           HN       GLY  13 -12.717   3.929  -5.526
   98    HA2  GLY  13           HA2      GLY  13 -14.146   5.033  -7.049
   99    HA3  GLY  13           HA1      GLY  13 -14.888   5.882  -5.702
  100    H    ALA  14           HN       ALA  14 -11.424   5.651  -6.168
  101    HA   ALA  14           HA       ALA  14  -9.826   7.200  -6.647
  102    HB1  ALA  14           HB1      ALA  14 -11.902   7.739  -8.460
  103    HB2  ALA  14           HB2      ALA  14 -10.208   8.211  -8.585
  104    HB3  ALA  14           HB3      ALA  14 -11.375   9.301  -7.835
  105    H    GLY  15           HN       GLY  15 -10.063   7.383  -4.211
  106    HA2  GLY  15           HA2      GLY  15 -10.613  10.206  -3.557
  107    HA3  GLY  15           HA1      GLY  15 -11.193   8.917  -2.512
  108    H    TYR  16           HN       TYR  16  -9.009  11.210  -2.540
  109    HA   TYR  16           HA       TYR  16  -6.640   9.722  -1.823
  110    HB2  TYR  16           HB2      TYR  16  -7.234  12.684  -1.631
  111    HB3  TYR  16           HB1      TYR  16  -5.656  11.942  -1.385
  112    HD1  TYR  16           HD2      TYR  16  -4.751  10.523  -3.387
  113    HD2  TYR  16           HD1      TYR  16  -7.802  13.466  -3.739
  114    HE1  TYR  16           HE2      TYR  16  -4.280  10.713  -5.793
  115    HE2  TYR  16           HE1      TYR  16  -7.342  13.663  -6.146
  116    HH   TYR  16           HH       TYR  16  -5.566  11.440  -7.869
  117    H    ASP  17           HN       ASP  17  -6.701   8.647   0.050
  118    HA   ASP  17           HA       ASP  17  -6.976   8.165   2.259
  119    HB2  ASP  17           HB2      ASP  17  -5.353  10.213   2.202
  120    HB3  ASP  17           HB1      ASP  17  -6.722  11.090   2.879
  121    H    SER  18           HN       SER  18  -9.182   7.581   2.014
  122    HA   SER  18           HA       SER  18 -11.097   9.592   2.996
  123    HB2  SER  18           HB2      SER  18 -11.423   8.531   0.676
  124    HB3  SER  18           HB1      SER  18 -11.853   7.060   1.547
  125    H    GLY  19           HN       GLY  19  -9.898   6.313   3.385
  126    HA2  GLY  19           HA2      GLY  19 -10.470   6.199   6.122
  127    HA3  GLY  19           HA1      GLY  19 -11.795   5.422   5.269
  128    H    THR  20           HN       THR  20 -11.372   3.524   4.038
  129    HA   THR  20           HA       THR  20  -9.354   1.862   5.228
  130    HB   THR  20           HB       THR  20 -10.843   0.918   2.845
  131    HG1  THR  20           HG1      THR  20 -12.781   0.891   3.854
  132   HG21  THR  20          HG21      THR  20 -10.462  -0.232   5.598
  133   HG22  THR  20          HG22      THR  20  -9.554  -0.664   4.149
  134   HG23  THR  20          HG23      THR  20 -11.277  -1.027   4.252
  135    H    CYS  21           HN       CYS  21  -9.763   3.612   2.251
  136    HA   CYS  21           HA       CYS  21  -8.039   2.355   0.530
  137    HB2  CYS  21           HB2      CYS  21  -9.230   4.944   0.750
  138    HB3  CYS  21           HB1      CYS  21  -7.549   5.141   0.270
  139    H    ASP  22           HN       ASP  22  -7.029   5.194   2.431
  140    HA   ASP  22           HA       ASP  22  -4.306   4.908   2.028
  141    HB2  ASP  22           HB2      ASP  22  -5.832   6.745   3.271
  142    HB3  ASP  22           HB1      ASP  22  -5.133   5.946   4.676
  143    H    TYR  23           HN       TYR  23  -6.346   3.368   4.452
  144    HA   TYR  23           HA       TYR  23  -4.119   2.305   5.920
  145    HB2  TYR  23           HB2      TYR  23  -6.345   2.801   6.945
  146    HB3  TYR  23           HB1      TYR  23  -7.012   1.441   6.048
  147    HD1  TYR  23           HD1      TYR  23  -4.324   2.273   8.496
  148    HD2  TYR  23           HD2      TYR  23  -7.005  -0.674   7.005
  149    HE1  TYR  23           HE1      TYR  23  -3.660   0.757  10.316
  150    HE2  TYR  23           HE2      TYR  23  -6.349  -2.198   8.819
  151    HH   TYR  23           HH       TYR  23  -3.782  -2.111  10.458
  152    H    MET  24           HN       MET  24  -6.774   0.479   4.385
  153    HA   MET  24           HA       MET  24  -5.557  -1.959   4.242
  154    HB2  MET  24           HB2      MET  24  -7.858  -0.762   3.140
  155    HB3  MET  24           HB1      MET  24  -7.021  -1.539   1.802
  156    HG2  MET  24           HG2      MET  24  -7.216  -3.179   4.219
  157    HG3  MET  24           HG1      MET  24  -8.764  -2.767   3.480
  158    HE1  MET  24           HE1      MET  24  -5.995  -5.986   2.532
  159    HE2  MET  24           HE2      MET  24  -5.823  -4.695   3.722
  160    HE3  MET  24           HE3      MET  24  -5.102  -4.521   2.122
  161    H    TYR  25           HN       TYR  25  -5.281   0.678   1.888
  162    HA   TYR  25           HA       TYR  25  -3.875  -0.550  -0.130
  163    HB2  TYR  25           HB2      TYR  25  -4.580   1.753  -0.312
  164    HB3  TYR  25           HB1      TYR  25  -3.519   2.232   0.997
  165    HD1  TYR  25           HD1      TYR  25  -3.675   1.203  -2.526
  166    HD2  TYR  25           HD2      TYR  25  -1.159   2.560   0.625
  167    HE1  TYR  25           HE1      TYR  25  -1.896   1.673  -4.157
  168    HE2  TYR  25           HE2      TYR  25   0.627   3.035  -0.996
  169    HH   TYR  25           HH       TYR  25   0.363   3.534  -3.933
  170    H    SER  26           HN       SER  26  -2.176   1.521   2.180
  171    HA   SER  26           HA       SER  26   0.348   0.421   1.776
  172    HB2  SER  26           HB2      SER  26  -0.585   1.581   4.403
  173    HB3  SER  26           HB1      SER  26   1.047   1.593   3.740
  174    HG   SER  26           HG       SER  26   0.266   2.970   2.079
  175    H    HIS  27           HN       HIS  27  -2.259  -0.615   3.897
  176    HA   HIS  27           HA       HIS  27  -0.903  -2.366   5.573
  177    HB2  HIS  27           HB2      HIS  27  -3.403  -1.749   5.563
  178    HB3  HIS  27           HB1      HIS  27  -3.589  -3.031   4.372
  179    HD1  HIS  27           HD1      HIS  27  -3.575  -2.446   7.937
  180    HD2  HIS  27           HD2      HIS  27  -2.684  -5.640   5.434
  181    HE1  HIS  27           HE1      HIS  27  -3.628  -4.485   9.407
  182    HE2  HIS  27           HE2      HIS  27  -3.004  -6.396   7.887
  183    H    CYS  28           HN       CYS  28  -2.063  -2.785   2.296
  184    HA   CYS  28           HA       CYS  28  -1.021  -5.490   2.107
  185    HB2  CYS  28           HB2      CYS  28  -3.174  -4.602   0.990
  186    HB3  CYS  28           HB1      CYS  28  -2.096  -3.832  -0.167
  187    H    PHE  29           HN       PHE  29  -0.139  -2.231   1.389
  188    HA   PHE  29           HA       PHE  29   1.769  -1.261   0.697
  189    HB2  PHE  29           HB2      PHE  29   2.984  -2.721   2.127
  190    HB3  PHE  29           HB1      PHE  29   2.845  -4.062   0.997
  191    HD1  PHE  29           HD1      PHE  29   4.266  -0.639   1.308
  192    HD2  PHE  29           HD2      PHE  29   4.549  -4.476  -0.511
  193    HE1  PHE  29           HE1      PHE  29   6.415   0.003   0.298
  194    HE2  PHE  29           HE2      PHE  29   6.699  -3.841  -1.524
  195    HZ   PHE  29           HZ       PHE  29   7.635  -1.599  -1.120
  196    H    GLY  30           HN       GLY  30   1.102  -0.573  -1.230
  197    HA2  GLY  30           HA2      GLY  30   0.822  -0.461  -3.502
  198    HA3  GLY  30           HA1      GLY  30   2.406  -1.219  -3.532
  199    H    ILE  31           HN       ILE  31  -0.929  -1.591  -4.176
  200    HA   ILE  31           HA       ILE  31  -0.774  -4.482  -4.459
  201    HB   ILE  31           HB       ILE  31  -3.130  -4.329  -5.184
  202   HG12  ILE  31          HG12      ILE  31  -3.852  -1.738  -4.413
  203   HG13  ILE  31          HG11      ILE  31  -2.427  -1.524  -5.425
  204   HG21  ILE  31          HG21      ILE  31  -2.596  -4.624  -2.832
  205   HG22  ILE  31          HG22      ILE  31  -4.041  -3.632  -3.018
  206   HG23  ILE  31          HG23      ILE  31  -2.498  -2.876  -2.619
  207   HD11  ILE  31          HD11      ILE  31  -4.212  -3.404  -6.640
  208   HD12  ILE  31          HD12      ILE  31  -3.622  -1.858  -7.252
  209   HD13  ILE  31          HD13      ILE  31  -5.069  -1.915  -6.245
  210    H    LYS  32           HN       LYS  32   1.080  -3.709  -6.075
  211    HA   LYS  32           HA       LYS  32  -0.124  -3.654  -8.766
  212    HB2  LYS  32           HB2      LYS  32   1.368  -1.671  -7.881
  213    HB3  LYS  32           HB1      LYS  32   2.688  -2.756  -8.292
  214    HG2  LYS  32           HG2      LYS  32   0.909  -2.736 -10.484
  215    HG3  LYS  32           HG1      LYS  32   1.169  -1.060  -9.995
  216    HD2  LYS  32           HD2      LYS  32   3.406  -3.029 -10.439
  217    HD3  LYS  32           HD1      LYS  32   2.797  -1.952 -11.696
  218    HE2  LYS  32           HE2      LYS  32   3.284  -0.034 -10.158
  219    HE3  LYS  32           HE1      LYS  32   4.081  -1.181  -9.081
  220    HZ1  LYS  32           HZ1      LYS  32   5.638  -1.714 -10.832
  221    HZ2  LYS  32           HZ2      LYS  32   5.649  -0.047 -10.550
  222    HZ3  LYS  32           HZ3      LYS  32   4.851  -0.668 -11.905
  223    H    HIS  33           HN       HIS  33   0.267  -6.043  -7.339
  224    HA   HIS  33           HA       HIS  33   1.220  -8.109  -7.479
  225    HB2  HIS  33           HB2      HIS  33   0.457  -7.422  -9.943
  226    HB3  HIS  33           HB1      HIS  33   2.187  -7.553 -10.240
  227    HD1  HIS  33           HD1      HIS  33  -0.818  -9.604  -9.349
  228    HD2  HIS  33           HD2      HIS  33   3.212 -10.149 -10.204
  229    HE1  HIS  33           HE1      HIS  33  -0.528 -12.081  -9.671
  230    HE2  HIS  33           HE2      HIS  33   1.927 -12.393 -10.146
  231    H    HIS  34           HN       HIS  34   2.870  -6.982  -5.987
  232    HA   HIS  34           HA       HIS  34   5.465  -7.874  -6.774
  233    HB2  HIS  34           HB2      HIS  34   4.953  -5.348  -7.638
  234    HB3  HIS  34           HB1      HIS  34   5.626  -5.017  -6.044
  235    HD1  HIS  34           HD1      HIS  34   7.729  -7.370  -6.083
  236    HD2  HIS  34           HD2      HIS  34   7.151  -4.574  -9.103
  237    HE1  HIS  34           HE1      HIS  34   9.896  -7.299  -7.357
  238    HE2  HIS  34           HE2      HIS  34   9.500  -5.651  -9.222
  239    H    SER  35           HN       SER  35   5.639  -9.047  -4.939
  240    HA   SER  35           HA       SER  35   5.691  -7.542  -2.411
  241    HB2  SER  35           HB2      SER  35   4.710  -9.464  -1.250
  242    HB3  SER  35           HB1      SER  35   3.629  -8.896  -2.522
  243    HG   SER  35           HG       SER  35   4.487 -10.588  -3.848
  244    H    SER  36           HN       SER  36   7.956  -7.929  -3.905
  245    HA   SER  36           HA       SER  36   9.382 -10.015  -2.388
  246    HB2  SER  36           HB2      SER  36   9.279  -9.511  -5.238
  247    HB3  SER  36           HB1      SER  36  10.934  -9.412  -4.642
  248    HG   SER  36           HG       SER  36   9.154 -11.564  -4.136
  249    H    GLY  37           HN       GLY  37  10.317  -8.905  -0.761
  250    HA2  GLY  37           HA2      GLY  37  12.629  -7.541  -0.933
  251    HA3  GLY  37           HA1      GLY  37  11.444  -6.272  -1.201
  252    H    SER  38           HN       SER  38  13.291  -6.405   0.967
  253    HA   SER  38           HA       SER  38  13.410  -6.226   3.235
  254    HB2  SER  38           HB2      SER  38  10.994  -4.933   2.355
  255    HB3  SER  38           HB1      SER  38  10.748  -5.620   3.960
  256    HG   SER  38           HG       SER  38  12.279  -3.493   3.185
  257    H    SER  39           HN       SER  39  13.770  -8.504   3.480
  258    HA   SER  39           HA       SER  39  11.498  -9.874   4.758
  259    HB2  SER  39           HB2      SER  39  13.481 -10.891   2.758
  260    HB3  SER  39           HB1      SER  39  12.825 -12.004   3.958
  261    HG   SER  39           HG       SER  39  11.653 -11.778   1.885
  262    H    SER  40           HN       SER  40  12.553  -8.685   6.622
  263    HA   SER  40           HA       SER  40  15.083  -9.487   7.594
  264    HB2  SER  40           HB2      SER  40  12.976  -7.729   8.413
  265    HB3  SER  40           HB1      SER  40  13.444  -8.732   9.786
  266    HG   SER  40           HG       SER  40  15.659  -8.111   9.245
  267    H    TYR  41           HN       TYR  41  11.789 -10.484   8.506
  268    HA   TYR  41           HA       TYR  41  12.891 -12.685  10.078
  269    HB2  TYR  41           HB2      TYR  41  10.129 -11.513   9.800
  270    HB3  TYR  41           HB1      TYR  41  10.403 -13.052  10.610
  271    HD1  TYR  41           HD1      TYR  41  12.295 -12.976  12.474
  272    HD2  TYR  41           HD2      TYR  41  10.121  -9.594  11.080
  273    HE1  TYR  41           HE1      TYR  41  12.820 -11.785  14.559
  274    HE2  TYR  41           HE2      TYR  41  10.641  -8.394  13.161
  275    HH   TYR  41           HH       TYR  41  13.006  -9.337  15.287
  276    H    HIS  42           HN       HIS  42  12.963 -14.722   9.380
  277    HA   HIS  42           HA       HIS  42  11.570 -15.368   6.868
  278    HB2  HIS  42           HB2      HIS  42  14.256 -15.556   7.428
  279    HB3  HIS  42           HB1      HIS  42  13.696 -17.201   7.712
  280    HD1  HIS  42           HD1      HIS  42  15.158 -17.825   5.578
  281    HD2  HIS  42           HD2      HIS  42  11.851 -15.416   4.853
  282    HE1  HIS  42           HE1      HIS  42  14.773 -17.941   3.095
  283    HE2  HIS  42           HE2      HIS  42  12.791 -16.445   2.674
  284    H    CYS  43           HN       CYS  43  11.604 -18.035   6.808
  285    HA   CYS  43           HA       CYS  43   9.478 -18.779   8.479
  286    HB2  CYS  43           HB2      CYS  43  11.381 -20.668   7.085
  287    HB3  CYS  43           HB1      CYS  43   9.715 -20.987   7.554
  288    H1   NAG  44           H1       NAG  44 -13.833   6.809   0.975
  289    H2   NAG  44           H2       NAG  44 -14.415   7.637   3.607
  290    H3   NAG  44           H3       NAG  44 -16.860   7.494   3.761
  291    H4   NAG  44           H4       NAG  44 -18.209   7.767   1.646
  292    H5   NAG  44           H5       NAG  44 -17.003   8.544   0.393
  293    H61  NAG  44           H61      NAG  44 -18.153   7.160  -0.937
  294    H62  NAG  44           H62      NAG  44 -17.020   8.390  -1.542
  295    H81  NAG  44           H81      NAG  44 -15.172   3.294   2.864
  296    H82  NAG  44           H82      NAG  44 -16.561   3.284   3.985
  297    H83  NAG  44           H83      NAG  44 -14.896   3.273   4.627
  298    HN2  NAG  44           HN2      NAG  44 -14.650   5.275   2.057
  299    HO3  NAG  44           HO3      NAG  44 -16.795   9.587   3.509
  300    HO4  NAG  44           HO4      NAG  44 -17.565   5.469   0.936
  301    HO6  NAG  44           HO6      NAG  44 -15.677   6.828  -2.248
  302    H1   NAG  45           H1       NAG  45   8.089 -21.235   6.079
  303    H2   NAG  45           H2       NAG  45   7.097 -18.494   5.171
  304    H3   NAG  45           H3       NAG  45   5.605 -20.940   6.240
  305    H4   NAG  45           H4       NAG  45   5.605 -19.654   3.465
  306    H5   NAG  45           H5       NAG  45   6.677 -22.353   4.412
  307    H61  NAG  45           H61      NAG  45   6.213 -22.879   2.246
  308    H62  NAG  45           H62      NAG  45   7.742 -22.016   1.972
  309    H81  NAG  45           H81      NAG  45   7.620 -17.937   9.498
  310    H82  NAG  45           H82      NAG  45   6.473 -16.580   9.334
  311    H83  NAG  45           H83      NAG  45   5.878 -18.201   9.784
  312    HN2  NAG  45           HN2      NAG  45   7.778 -19.461   7.793
  313    HO3  NAG  45           HO3      NAG  45   4.042 -19.552   6.506
  314    HO4  NAG  45           HO4      NAG  45   3.706 -20.633   3.500
  315    HO6  NAG  45           HO6      NAG  45   5.115 -21.233   1.384
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1  -3.782 -17.294  -3.708
    2    H2   LYS   1           HT2      LYS   1  -4.342 -16.117  -4.824
    3    H3   LYS   1           HT3      LYS   1  -5.414 -16.772  -3.654
    4    HA   LYS   1           HA       LYS   1  -4.028 -15.831  -1.913
    5    HB2  LYS   1           HB2      LYS   1  -2.412 -15.269  -4.270
    6    HB3  LYS   1           HB1      LYS   1  -2.682 -13.827  -3.303
    7    HG2  LYS   1           HG2      LYS   1  -0.879 -14.533  -2.182
    8    HG3  LYS   1           HG1      LYS   1  -2.025 -15.605  -1.375
    9    HD2  LYS   1           HD2      LYS   1  -1.481 -17.140  -3.470
   10    HD3  LYS   1           HD1      LYS   1   0.018 -16.209  -3.447
   11    HE2  LYS   1           HE2      LYS   1  -0.658 -17.034  -0.785
   12    HE3  LYS   1           HE1      LYS   1  -0.667 -18.431  -1.862
   13    HZ1  LYS   1           HZ1      LYS   1   1.566 -16.537  -1.393
   14    HZ2  LYS   1           HZ2      LYS   1   1.567 -17.684  -2.635
   15    HZ3  LYS   1           HZ3      LYS   1   1.520 -18.187  -1.021
   16    HA   PRO   2           HA       PRO   2  -7.511 -13.055  -3.051
   17    HB2  PRO   2           HB2      PRO   2  -8.825 -13.267  -0.707
   18    HB3  PRO   2           HB1      PRO   2  -8.967 -14.486  -1.979
   19    HG2  PRO   2           HG2      PRO   2  -7.300 -14.524   0.505
   20    HG3  PRO   2           HG1      PRO   2  -8.263 -15.826  -0.216
   21    HD2  PRO   2           HD2      PRO   2  -5.559 -15.613  -0.517
   22    HD3  PRO   2           HD1      PRO   2  -6.618 -16.376  -1.720
   23    H    ALA   3           HN       ALA   3  -6.775 -11.014  -3.027
   24    HA   ALA   3           HA       ALA   3  -5.791  -9.905  -0.484
   25    HB1  ALA   3           HB1      ALA   3  -4.478  -9.957  -2.840
   26    HB2  ALA   3           HB2      ALA   3  -4.225  -8.729  -1.600
   27    HB3  ALA   3           HB3      ALA   3  -5.293  -8.397  -2.963
   28    H    TRP   4           HN       TRP   4  -8.053  -9.606   0.140
   29    HA   TRP   4           HA       TRP   4  -9.994  -8.169  -1.136
   30    HB2  TRP   4           HB2      TRP   4  -9.510  -9.037   1.505
   31    HB3  TRP   4           HB1      TRP   4  -9.920  -7.329   1.616
   32    HD1  TRP   4           HD1      TRP   4 -11.486 -10.663   1.358
   33    HE1  TRP   4           HE1      TRP   4 -14.012 -10.445   0.920
   34    HE3  TRP   4           HE3      TRP   4 -11.675  -5.699   0.152
   35    HZ2  TRP   4           HZ2      TRP   4 -15.843  -8.435   0.164
   36    HZ3  TRP   4           HZ3      TRP   4 -13.853  -4.706  -0.417
   37    HH2  TRP   4           HH2      TRP   4 -15.894  -6.047  -0.410
   38    H    CYS   5           HN       CYS   5  -7.044  -6.963   0.238
   39    HA   CYS   5           HA       CYS   5  -7.584  -4.304   0.670
   40    HB2  CYS   5           HB2      CYS   5  -5.242  -3.877   0.337
   41    HB3  CYS   5           HB1      CYS   5  -5.407  -5.459   1.092
   42    H    TRP   6           HN       TRP   6  -6.898  -5.898  -2.423
   43    HA   TRP   6           HA       TRP   6  -6.726  -3.603  -3.990
   44    HB2  TRP   6           HB2      TRP   6  -6.568  -5.008  -5.759
   45    HB3  TRP   6           HB1      TRP   6  -6.385  -6.216  -4.496
   46    HD1  TRP   6           HD1      TRP   6  -8.853  -7.427  -3.790
   47    HE1  TRP   6           HE1      TRP   6 -10.682  -8.271  -5.403
   48    HE3  TRP   6           HE3      TRP   6  -7.602  -4.684  -7.888
   49    HZ2  TRP   6           HZ2      TRP   6 -11.482  -7.813  -8.080
   50    HZ3  TRP   6           HZ3      TRP   6  -8.941  -4.933  -9.944
   51    HH2  TRP   6           HH2      TRP   6 -10.842  -6.464 -10.034
   52    H    TYR   7           HN       TYR   7  -9.553  -5.517  -3.074
   53    HA   TYR   7           HA       TYR   7 -11.456  -4.186  -4.622
   54    HB2  TYR   7           HB2      TYR   7 -11.461  -6.025  -2.368
   55    HB3  TYR   7           HB1      TYR   7 -12.781  -4.863  -2.265
   56    HD1  TYR   7           HD1      TYR   7 -13.293  -4.491  -5.201
   57    HD2  TYR   7           HD2      TYR   7 -12.630  -8.003  -2.894
   58    HE1  TYR   7           HE1      TYR   7 -14.578  -5.801  -6.839
   59    HE2  TYR   7           HE2      TYR   7 -13.913  -9.324  -4.525
   60    HH   TYR   7           HH       TYR   7 -15.974  -8.160  -6.620
   61    H    THR   8           HN       THR   8 -10.012  -3.369  -1.532
   62    HA   THR   8           HA       THR   8 -11.777  -1.303  -0.799
   63    HB   THR   8           HB       THR   8  -8.988  -2.086  -0.055
   64    HG1  THR   8           HG1      THR   8 -10.215  -2.999   1.361
   65   HG21  THR   8          HG21      THR   8  -9.281  -0.172   1.743
   66   HG22  THR   8          HG22      THR   8 -10.099   0.622   0.398
   67   HG23  THR   8          HG23      THR   8  -8.426   0.091   0.223
   68    H    LEU   9           HN       LEU   9  -8.901  -1.379  -2.835
   69    HA   LEU   9           HA       LEU   9  -8.805   1.456  -3.223
   70    HB2  LEU   9           HB2      LEU   9  -7.488  -0.874  -4.596
   71    HB3  LEU   9           HB1      LEU   9  -7.258   0.778  -5.139
   72    HG   LEU   9           HG       LEU   9  -5.397   0.219  -3.767
   73   HD11  LEU   9          HD11      LEU   9  -5.475   1.920  -2.119
   74   HD12  LEU   9          HD12      LEU   9  -7.231   1.816  -1.998
   75   HD13  LEU   9          HD13      LEU   9  -6.485   2.465  -3.457
   76   HD21  LEU   9          HD21      LEU   9  -6.374  -1.698  -2.620
   77   HD22  LEU   9          HD22      LEU   9  -7.388  -0.617  -1.661
   78   HD23  LEU   9          HD23      LEU   9  -5.635  -0.582  -1.472
   79    H    ALA  10           HN       ALA  10 -10.093  -1.283  -5.047
   80    HA   ALA  10           HA       ALA  10 -10.769   0.051  -7.403
   81    HB1  ALA  10           HB1      ALA  10 -12.742  -1.933  -6.804
   82    HB2  ALA  10           HB2      ALA  10 -11.148  -2.516  -6.324
   83    HB3  ALA  10           HB3      ALA  10 -11.430  -1.985  -7.982
   84    H    MET  11           HN       MET  11 -12.312   0.027  -4.285
   85    HA   MET  11           HA       MET  11 -14.562   1.575  -5.385
   86    HB2  MET  11           HB2      MET  11 -14.332  -0.052  -2.853
   87    HB3  MET  11           HB1      MET  11 -15.687   1.015  -3.196
   88    HG2  MET  11           HG2      MET  11 -15.060  -0.906  -5.323
   89    HG3  MET  11           HG1      MET  11 -15.611  -1.617  -3.804
   90    HE1  MET  11           HE1      MET  11 -18.678  -1.636  -3.403
   91    HE2  MET  11           HE2      MET  11 -18.856   0.090  -3.087
   92    HE3  MET  11           HE3      MET  11 -17.426  -0.769  -2.513
   93    H    CYS  12           HN       CYS  12 -11.843   2.552  -4.702
   94    HA   CYS  12           HA       CYS  12 -12.040   4.066  -2.290
   95    HB2  CYS  12           HB2      CYS  12  -9.952   3.317  -3.788
   96    HB3  CYS  12           HB1      CYS  12 -10.184   4.933  -4.446
   97    H    GLY  13           HN       GLY  13 -11.932   5.119  -5.704
   98    HA2  GLY  13           HA2      GLY  13 -12.749   7.015  -6.716
   99    HA3  GLY  13           HA1      GLY  13 -14.153   6.754  -5.693
  100    H    ALA  14           HN       ALA  14 -10.908   7.497  -4.548
  101    HA   ALA  14           HA       ALA  14 -11.690  10.249  -3.964
  102    HB1  ALA  14           HB1      ALA  14 -11.517  10.132  -1.682
  103    HB2  ALA  14           HB2      ALA  14 -10.470   8.714  -1.722
  104    HB3  ALA  14           HB3      ALA  14 -12.198   8.542  -2.029
  105    H    GLY  15           HN       GLY  15  -9.764  11.417  -2.874
  106    HA2  GLY  15           HA2      GLY  15  -7.607  11.432  -4.623
  107    HA3  GLY  15           HA1      GLY  15  -7.587  12.132  -3.012
  108    H    TYR  16           HN       TYR  16  -7.751   9.993  -1.374
  109    HA   TYR  16           HA       TYR  16  -6.333   7.718  -1.885
  110    HB2  TYR  16           HB2      TYR  16  -4.392   8.925  -2.556
  111    HB3  TYR  16           HB1      TYR  16  -4.517  10.014  -1.180
  112    HD1  TYR  16           HD1      TYR  16  -4.795   6.315  -1.102
  113    HD2  TYR  16           HD2      TYR  16  -2.396   9.709  -0.192
  114    HE1  TYR  16           HE1      TYR  16  -3.249   4.877   0.157
  115    HE2  TYR  16           HE2      TYR  16  -0.843   8.280   1.070
  116    HH   TYR  16           HH       TYR  16  -1.582   5.004   1.850
  117    H    ASP  17           HN       ASP  17  -6.918  10.286   0.319
  118    HA   ASP  17           HA       ASP  17  -6.791   8.452   2.602
  119    HB2  ASP  17           HB2      ASP  17  -5.588  10.750   2.545
  120    HB3  ASP  17           HB1      ASP  17  -7.192  11.422   2.827
  121    H    SER  18           HN       SER  18  -8.845   7.540   1.620
  122    HA   SER  18           HA       SER  18 -11.217   9.153   2.142
  123    HB2  SER  18           HB2      SER  18 -10.712   7.413   0.147
  124    HB3  SER  18           HB1      SER  18 -11.498   6.326   1.291
  125    H    GLY  19           HN       GLY  19  -9.871   5.999   3.113
  126    HA2  GLY  19           HA2      GLY  19 -10.436   6.233   5.816
  127    HA3  GLY  19           HA1      GLY  19 -11.856   5.501   5.088
  128    H    THR  20           HN       THR  20 -11.254   3.628   3.532
  129    HA   THR  20           HA       THR  20  -9.736   1.736   5.105
  130    HB   THR  20           HB       THR  20 -10.821   0.975   2.449
  131    HG1  THR  20           HG1      THR  20 -12.739   1.673   2.856
  132   HG21  THR  20          HG21      THR  20 -10.288  -0.946   3.496
  133   HG22  THR  20          HG22      THR  20 -11.905  -0.747   4.172
  134   HG23  THR  20          HG23      THR  20 -10.493  -0.258   5.108
  135    H    CYS  21           HN       CYS  21  -9.589   3.114   1.841
  136    HA   CYS  21           HA       CYS  21  -7.506   1.742   0.740
  137    HB2  CYS  21           HB2      CYS  21  -7.881   4.732   0.525
  138    HB3  CYS  21           HB1      CYS  21  -7.059   3.691  -0.631
  139    H    ASP  22           HN       ASP  22  -7.040   4.857   2.413
  140    HA   ASP  22           HA       ASP  22  -4.317   4.908   2.514
  141    HB2  ASP  22           HB2      ASP  22  -6.251   6.477   3.547
  142    HB3  ASP  22           HB1      ASP  22  -5.654   5.732   5.028
  143    H    TYR  23           HN       TYR  23  -6.431   2.856   4.358
  144    HA   TYR  23           HA       TYR  23  -4.260   2.014   6.115
  145    HB2  TYR  23           HB2      TYR  23  -6.971   2.281   6.521
  146    HB3  TYR  23           HB1      TYR  23  -6.785   0.544   6.311
  147    HD1  TYR  23           HD1      TYR  23  -5.300   3.403   8.196
  148    HD2  TYR  23           HD2      TYR  23  -6.198  -0.756   8.142
  149    HE1  TYR  23           HE1      TYR  23  -4.531   3.213  10.523
  150    HE2  TYR  23           HE2      TYR  23  -5.431  -0.958  10.469
  151    HH   TYR  23           HH       TYR  23  -4.689   1.824  12.408
  152    H    MET  24           HN       MET  24  -6.742   0.191   4.313
  153    HA   MET  24           HA       MET  24  -5.420  -2.211   4.196
  154    HB2  MET  24           HB2      MET  24  -7.586  -0.886   2.688
  155    HB3  MET  24           HB1      MET  24  -6.830  -2.257   1.903
  156    HG2  MET  24           HG2      MET  24  -8.789  -2.939   3.159
  157    HG3  MET  24           HG1      MET  24  -7.325  -3.653   3.838
  158    HE1  MET  24           HE1      MET  24  -8.222  -4.258   6.193
  159    HE2  MET  24           HE2      MET  24  -7.820  -3.048   7.411
  160    HE3  MET  24           HE3      MET  24  -6.627  -3.503   6.193
  161    H    TYR  25           HN       TYR  25  -5.252   0.512   1.933
  162    HA   TYR  25           HA       TYR  25  -3.684  -0.742  -0.030
  163    HB2  TYR  25           HB2      TYR  25  -4.934   1.501  -0.150
  164    HB3  TYR  25           HB1      TYR  25  -3.516   2.193   0.618
  165    HD1  TYR  25           HD1      TYR  25  -3.729  -0.452  -1.996
  166    HD2  TYR  25           HD2      TYR  25  -2.514   3.508  -1.022
  167    HE1  TYR  25           HE1      TYR  25  -2.634  -0.255  -4.188
  168    HE2  TYR  25           HE2      TYR  25  -1.417   3.716  -3.213
  169    HH   TYR  25           HH       TYR  25  -0.760   1.107  -5.195
  170    H    SER  26           HN       SER  26  -2.544   1.761   2.231
  171    HA   SER  26           HA       SER  26   0.157   1.412   1.874
  172    HB2  SER  26           HB2      SER  26  -1.546   2.548   3.992
  173    HB3  SER  26           HB1      SER  26   0.063   2.061   4.524
  174    HG   SER  26           HG       SER  26  -0.220   4.275   3.646
  175    H    HIS  27           HN       HIS  27  -2.004  -0.395   3.993
  176    HA   HIS  27           HA       HIS  27   0.069  -1.876   5.277
  177    HB2  HIS  27           HB2      HIS  27  -2.178  -1.505   6.271
  178    HB3  HIS  27           HB1      HIS  27  -2.867  -2.559   5.039
  179    HD1  HIS  27           HD1      HIS  27  -1.534  -5.057   5.046
  180    HD2  HIS  27           HD2      HIS  27  -1.712  -2.846   8.560
  181    HE1  HIS  27           HE1      HIS  27  -1.113  -6.703   6.898
  182    HE2  HIS  27           HE2      HIS  27  -1.300  -5.358   9.020
  183    H    CYS  28           HN       CYS  28  -2.343  -2.775   2.810
  184    HA   CYS  28           HA       CYS  28  -1.392  -5.361   2.347
  185    HB2  CYS  28           HB2      CYS  28  -3.581  -4.577   1.567
  186    HB3  CYS  28           HB1      CYS  28  -2.795  -3.497   0.422
  187    H    PHE  29           HN       PHE  29  -0.814  -2.438   0.378
  188    HA   PHE  29           HA       PHE  29   1.195  -3.711  -1.196
  189    HB2  PHE  29           HB2      PHE  29  -0.188  -1.171  -1.166
  190    HB3  PHE  29           HB1      PHE  29   1.535  -0.940  -1.445
  191    HD1  PHE  29           HD2      PHE  29   2.629  -2.202  -3.335
  192    HD2  PHE  29           HD1      PHE  29  -1.593  -1.944  -2.868
  193    HE1  PHE  29           HE2      PHE  29   2.335  -2.826  -5.697
  194    HE2  PHE  29           HE1      PHE  29  -1.895  -2.568  -5.230
  195    HZ   PHE  29           HZ       PHE  29   0.066  -3.018  -6.644
  196    H    GLY  30           HN       GLY  30   1.198  -2.068   1.825
  197    HA2  GLY  30           HA2      GLY  30   2.885  -1.672   3.333
  198    HA3  GLY  30           HA1      GLY  30   3.894  -2.729   2.358
  199    H    ILE  31           HN       ILE  31   5.398  -0.941   3.288
  200    HA   ILE  31           HA       ILE  31   5.747   1.025   1.141
  201    HB   ILE  31           HB       ILE  31   6.417   2.747   2.789
  202   HG12  ILE  31          HG12      ILE  31   5.003   1.593   5.046
  203   HG13  ILE  31          HG11      ILE  31   6.385   0.606   4.584
  204   HG21  ILE  31          HG21      ILE  31   3.629   1.934   3.481
  205   HG22  ILE  31          HG22      ILE  31   4.034   2.364   1.820
  206   HG23  ILE  31          HG23      ILE  31   4.274   3.534   3.116
  207   HD11  ILE  31          HD11      ILE  31   6.836   3.518   4.787
  208   HD12  ILE  31          HD12      ILE  31   7.884   2.168   5.225
  209   HD13  ILE  31          HD13      ILE  31   6.558   2.637   6.289
  210    H    LYS  32           HN       LYS  32   7.287  -0.770   0.604
  211    HA   LYS  32           HA       LYS  32   9.773  -0.579   2.167
  212    HB2  LYS  32           HB2      LYS  32   9.121  -2.670   0.093
  213    HB3  LYS  32           HB1      LYS  32  10.401  -2.709   1.299
  214    HG2  LYS  32           HG2      LYS  32   8.188  -2.487   2.865
  215    HG3  LYS  32           HG1      LYS  32   7.581  -3.453   1.518
  216    HD2  LYS  32           HD2      LYS  32   8.397  -5.019   3.070
  217    HD3  LYS  32           HD1      LYS  32   9.655  -4.901   1.838
  218    HE2  LYS  32           HE2      LYS  32  11.092  -3.747   3.225
  219    HE3  LYS  32           HE1      LYS  32   9.789  -3.143   4.245
  220    HZ1  LYS  32           HZ1      LYS  32   9.627  -5.152   5.364
  221    HZ2  LYS  32           HZ2      LYS  32  11.296  -4.976   5.159
  222    HZ3  LYS  32           HZ3      LYS  32  10.427  -6.023   4.154
  223    H    HIS  33           HN       HIS  33   9.518   1.603   0.749
  224    HA   HIS  33           HA       HIS  33  11.120   1.165  -1.686
  225    HB2  HIS  33           HB2      HIS  33   8.838   2.989  -1.122
  226    HB3  HIS  33           HB1      HIS  33  10.124   3.600  -2.157
  227    HD1  HIS  33           HD1      HIS  33   7.730   3.457  -3.698
  228    HD2  HIS  33           HD2      HIS  33   9.941   0.005  -3.021
  229    HE1  HIS  33           HE1      HIS  33   7.040   1.852  -5.507
  230    HE2  HIS  33           HE2      HIS  33   8.461  -0.195  -5.132
  231    H    HIS  34           HN       HIS  34  12.379   1.321   0.771
  232    HA   HIS  34           HA       HIS  34  14.070   3.615   0.348
  233    HB2  HIS  34           HB2      HIS  34  12.109   3.535   2.551
  234    HB3  HIS  34           HB1      HIS  34  13.750   3.959   3.028
  235    HD1  HIS  34           HD1      HIS  34  14.790   5.936   1.286
  236    HD2  HIS  34           HD2      HIS  34  10.682   5.714   1.875
  237    HE1  HIS  34           HE1      HIS  34  13.891   8.186   0.611
  238    HE2  HIS  34           HE2      HIS  34  11.398   8.017   0.939
  239    H    SER  35           HN       SER  35  15.426   1.739  -0.108
  240    HA   SER  35           HA       SER  35  16.573   0.624   2.365
  241    HB2  SER  35           HB2      SER  35  15.957  -0.761  -0.238
  242    HB3  SER  35           HB1      SER  35  17.185  -1.385   0.862
  243    HG   SER  35           HG       SER  35  14.492  -0.856   1.585
  244    H    SER  36           HN       SER  36  17.578   2.938   1.452
  245    HA   SER  36           HA       SER  36  19.965   2.225  -0.110
  246    HB2  SER  36           HB2      SER  36  19.376   5.071   0.504
  247    HB3  SER  36           HB1      SER  36  19.997   4.341  -0.977
  248    HG   SER  36           HG       SER  36  17.956   4.933  -1.468
  249    H    GLY  37           HN       GLY  37  20.789   1.203   1.893
  250    HA2  GLY  37           HA2      GLY  37  21.413   2.803   4.170
  251    HA3  GLY  37           HA1      GLY  37  22.055   1.206   3.817
  252    H    SER  38           HN       SER  38  23.335   3.715   4.818
  253    HA   SER  38           HA       SER  38  25.007   4.750   2.774
  254    HB2  SER  38           HB2      SER  38  26.393   5.567   4.754
  255    HB3  SER  38           HB1      SER  38  24.714   6.102   4.708
  256    HG   SER  38           HG       SER  38  25.535   5.253   6.777
  257    H    SER  39           HN       SER  39  25.182   1.966   4.844
  258    HA   SER  39           HA       SER  39  27.134   0.672   3.326
  259    HB2  SER  39           HB2      SER  39  29.044   0.730   4.952
  260    HB3  SER  39           HB1      SER  39  28.736   2.275   4.158
  261    HG   SER  39           HG       SER  39  28.962   2.719   6.304
  262    H    SER  40           HN       SER  40  25.210  -0.688   3.814
  263    HA   SER  40           HA       SER  40  24.160  -2.396   4.898
  264    HB2  SER  40           HB2      SER  40  26.766  -3.012   6.262
  265    HB3  SER  40           HB1      SER  40  25.561  -4.127   5.618
  266    HG   SER  40           HG       SER  40  26.173  -3.336   3.505
  267    H    TYR  41           HN       TYR  41  23.093  -0.616   6.151
  268    HA   TYR  41           HA       TYR  41  23.942  -0.400   8.930
  269    HB2  TYR  41           HB2      TYR  41  22.746   1.377   7.187
  270    HB3  TYR  41           HB1      TYR  41  21.410   0.879   8.219
  271    HD1  TYR  41           HD1      TYR  41  23.023   0.439  10.757
  272    HD2  TYR  41           HD2      TYR  41  22.998   3.610   7.920
  273    HE1  TYR  41           HE1      TYR  41  23.789   1.996  12.499
  274    HE2  TYR  41           HE2      TYR  41  23.765   5.175   9.654
  275    HH   TYR  41           HH       TYR  41  23.744   5.367  12.102
  276    H    HIS  42           HN       HIS  42  20.737  -0.876   7.440
  277    HA   HIS  42           HA       HIS  42  19.884  -2.409   9.738
  278    HB2  HIS  42           HB2      HIS  42  18.414  -0.723   8.609
  279    HB3  HIS  42           HB1      HIS  42  18.348  -1.788   7.209
  280    HD1  HIS  42           HD1      HIS  42  16.114  -0.870   9.548
  281    HD2  HIS  42           HD2      HIS  42  17.694  -4.607   8.659
  282    HE1  HIS  42           HE1      HIS  42  14.443  -2.531  10.429
  283    HE2  HIS  42           HE2      HIS  42  15.393  -4.787   9.831
  284    H    CYS  43           HN       CYS  43  20.301  -2.952   6.259
  285    HA   CYS  43           HA       CYS  43  20.671  -5.801   6.809
  286    HB2  CYS  43           HB2      CYS  43  18.266  -4.979   5.899
  287    HB3  CYS  43           HB1      CYS  43  19.111  -5.182   4.368
  288    H1   NAG  44           H1       NAG  44 -13.590   6.607   2.048
  289    H2   NAG  44           H2       NAG  44 -14.981   8.887   0.634
  290    H3   NAG  44           H3       NAG  44 -17.030   7.801   2.109
  291    H4   NAG  44           H4       NAG  44 -15.588   6.038   2.282
  292    H5   NAG  44           H5       NAG  44 -14.655   4.491   1.468
  293    H61  NAG  44           H61      NAG  44 -16.799   3.980  -0.157
  294    H62  NAG  44           H62      NAG  44 -15.187   3.256  -0.344
  295    H81  NAG  44           H81      NAG  44 -16.049   9.574   5.287
  296    H82  NAG  44           H82      NAG  44 -14.413  10.092   4.794
  297    H83  NAG  44           H83      NAG  44 -15.802  11.193   4.577
  298    HN2  NAG  44           HN2      NAG  44 -14.095   8.403   3.273
  299    HO3  NAG  44           HO3      NAG  44 -17.877   7.982   0.177
  300    HO4  NAG  44           HO4      NAG  44 -18.020   5.500   2.351
  301    HO6  NAG  44           HO6      NAG  44 -16.423   4.693  -2.131
  302    H1   NAG  45           H1       NAG  45  17.265  -6.642   7.230
  303    H2   NAG  45           H2       NAG  45  17.801  -9.641   7.035
  304    H3   NAG  45           H3       NAG  45  15.861  -8.059   8.785
  305    H4   NAG  45           H4       NAG  45  18.360  -9.658   9.526
  306    H5   NAG  45           H5       NAG  45  17.826  -6.652   9.625
  307    H61  NAG  45           H61      NAG  45  20.338  -6.617  10.064
  308    H62  NAG  45           H62      NAG  45  20.223  -8.359  10.400
  309    H81  NAG  45           H81      NAG  45  13.904  -9.396   4.880
  310    H82  NAG  45           H82      NAG  45  15.034  -9.088   3.533
  311    H83  NAG  45           H83      NAG  45  14.614 -10.765   3.982
  312    HN2  NAG  45           HN2      NAG  45  15.355  -8.121   6.265
  313    HO3  NAG  45           HO3      NAG  45  16.537 -10.820   8.942
  314    HO4  NAG  45           HO4      NAG  45  16.357  -9.393  10.973
  315    HO6  NAG  45           HO6      NAG  45  18.701  -7.855  12.067
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1  -0.496 -14.415  -5.182
    2    H2   LYS   1           HT2      LYS   1  -0.912 -12.751  -5.231
    3    H3   LYS   1           HT3      LYS   1  -2.081 -13.941  -5.631
    4    HA   LYS   1           HA       LYS   1  -1.874 -14.808  -3.366
    5    HB2  LYS   1           HB2      LYS   1   0.359 -13.831  -2.961
    6    HB3  LYS   1           HB1      LYS   1  -0.347 -12.222  -3.000
    7    HG2  LYS   1           HG2      LYS   1  -1.594 -12.642  -1.009
    8    HG3  LYS   1           HG1      LYS   1  -1.132 -14.346  -1.020
    9    HD2  LYS   1           HD2      LYS   1   1.088 -12.401  -1.038
   10    HD3  LYS   1           HD1      LYS   1   0.126 -12.463   0.440
   11    HE2  LYS   1           HE2      LYS   1   0.701 -14.657   0.880
   12    HE3  LYS   1           HE1      LYS   1   1.090 -15.001  -0.805
   13    HZ1  LYS   1           HZ1      LYS   1   3.181 -14.811  -0.035
   14    HZ2  LYS   1           HZ2      LYS   1   2.746 -13.843   1.283
   15    HZ3  LYS   1           HZ3      LYS   1   2.915 -13.155  -0.253
   16    HA   PRO   2           HA       PRO   2  -5.757 -12.708  -3.089
   17    HB2  PRO   2           HB2      PRO   2  -5.522 -13.199  -0.167
   18    HB3  PRO   2           HB1      PRO   2  -6.819 -13.640  -1.283
   19    HG2  PRO   2           HG2      PRO   2  -5.125 -15.480  -0.366
   20    HG3  PRO   2           HG1      PRO   2  -5.709 -15.526  -2.041
   21    HD2  PRO   2           HD2      PRO   2  -3.059 -14.643  -0.979
   22    HD3  PRO   2           HD1      PRO   2  -3.443 -15.521  -2.474
   23    H    ALA   3           HN       ALA   3  -4.878 -10.612  -3.576
   24    HA   ALA   3           HA       ALA   3  -4.160  -8.955  -1.265
   25    HB1  ALA   3           HB1      ALA   3  -3.808  -8.610  -4.225
   26    HB2  ALA   3           HB2      ALA   3  -2.577  -8.662  -2.963
   27    HB3  ALA   3           HB3      ALA   3  -3.631  -7.256  -3.109
   28    H    TRP   4           HN       TRP   4  -6.566  -9.308  -0.745
   29    HA   TRP   4           HA       TRP   4  -8.657  -8.191  -2.140
   30    HB2  TRP   4           HB2      TRP   4  -8.386  -9.381   0.296
   31    HB3  TRP   4           HB1      TRP   4  -8.766  -7.730   0.765
   32    HD1  TRP   4           HD1      TRP   4 -10.233 -10.569  -1.389
   33    HE1  TRP   4           HE1      TRP   4 -12.796 -10.324  -1.409
   34    HE3  TRP   4           HE3      TRP   4 -10.640  -6.196   1.217
   35    HZ2  TRP   4           HZ2      TRP   4 -14.734  -8.508  -0.443
   36    HZ3  TRP   4           HZ3      TRP   4 -12.883  -5.271   1.629
   37    HH2  TRP   4           HH2      TRP   4 -14.886  -6.404   0.815
   38    H    CYS   5           HN       CYS   5  -6.090  -6.554  -0.503
   39    HA   CYS   5           HA       CYS   5  -7.141  -4.145   0.222
   40    HB2  CYS   5           HB2      CYS   5  -4.883  -3.184  -0.688
   41    HB3  CYS   5           HB1      CYS   5  -4.884  -4.307   0.667
   42    H    TRP   6           HN       TRP   6  -6.035  -4.965  -3.074
   43    HA   TRP   6           HA       TRP   6  -6.649  -2.552  -4.273
   44    HB2  TRP   6           HB2      TRP   6  -6.141  -3.560  -6.239
   45    HB3  TRP   6           HB1      TRP   6  -5.554  -4.827  -5.171
   46    HD1  TRP   6           HD1      TRP   6  -7.476  -6.840  -4.697
   47    HE1  TRP   6           HE1      TRP   6  -9.031  -7.956  -6.428
   48    HE3  TRP   6           HE3      TRP   6  -7.352  -3.239  -8.290
   49    HZ2  TRP   6           HZ2      TRP   6 -10.069  -7.362  -8.995
   50    HZ3  TRP   6           HZ3      TRP   6  -8.650  -3.574 -10.360
   51    HH2  TRP   6           HH2      TRP   6  -9.981  -5.593 -10.701
   52    H    TYR   7           HN       TYR   7  -8.740  -5.266  -3.524
   53    HA   TYR   7           HA       TYR   7 -11.012  -4.527  -4.946
   54    HB2  TYR   7           HB2      TYR   7 -10.351  -6.430  -2.951
   55    HB3  TYR   7           HB1      TYR   7 -11.791  -5.584  -2.395
   56    HD1  TYR   7           HD1      TYR   7 -10.880  -6.266  -5.913
   57    HD2  TYR   7           HD2      TYR   7 -13.406  -7.295  -2.650
   58    HE1  TYR   7           HE1      TYR   7 -12.251  -7.646  -7.419
   59    HE2  TYR   7           HE2      TYR   7 -14.785  -8.677  -4.144
   60    HH   TYR   7           HH       TYR   7 -15.258  -8.653  -6.759
   61    H    THR   8           HN       THR   8  -9.898  -3.510  -1.750
   62    HA   THR   8           HA       THR   8 -12.161  -2.003  -1.049
   63    HB   THR   8           HB       THR   8 -10.062  -2.731   0.353
   64    HG1  THR   8           HG1      THR   8 -11.875  -1.704   1.224
   65   HG21  THR   8          HG21      THR   8  -9.222   0.082   0.270
   66   HG22  THR   8          HG22      THR   8  -8.692  -0.915  -1.083
   67   HG23  THR   8          HG23      THR   8  -8.284  -1.382   0.566
   68    H    LEU   9           HN       LEU   9  -9.313  -1.244  -2.942
   69    HA   LEU   9           HA       LEU   9  -9.773   1.547  -3.157
   70    HB2  LEU   9           HB2      LEU   9  -8.103  -0.454  -4.595
   71    HB3  LEU   9           HB1      LEU   9  -8.375   1.096  -5.369
   72    HG   LEU   9           HG       LEU   9  -7.518   2.169  -3.231
   73   HD11  LEU   9          HD11      LEU   9  -7.517   0.625  -1.556
   74   HD12  LEU   9          HD12      LEU   9  -5.854   0.442  -2.118
   75   HD13  LEU   9          HD13      LEU   9  -7.090  -0.707  -2.632
   76   HD21  LEU   9          HD21      LEU   9  -6.086   0.864  -5.384
   77   HD22  LEU   9          HD22      LEU   9  -5.102   1.010  -3.927
   78   HD23  LEU   9          HD23      LEU   9  -5.827   2.446  -4.650
   79    H    ALA  10           HN       ALA  10 -10.850  -1.238  -5.004
   80    HA   ALA  10           HA       ALA  10 -11.930   0.164  -7.204
   81    HB1  ALA  10           HB1      ALA  10 -12.154  -2.572  -6.103
   82    HB2  ALA  10           HB2      ALA  10 -11.779  -2.034  -7.740
   83    HB3  ALA  10           HB3      ALA  10 -13.449  -2.040  -7.173
   84    H    MET  11           HN       MET  11 -13.252  -0.801  -4.085
   85    HA   MET  11           HA       MET  11 -15.890   0.198  -4.703
   86    HB2  MET  11           HB2      MET  11 -14.789  -0.636  -2.017
   87    HB3  MET  11           HB1      MET  11 -16.482  -0.480  -2.468
   88    HG2  MET  11           HG2      MET  11 -15.572  -2.270  -4.315
   89    HG3  MET  11           HG1      MET  11 -14.618  -2.688  -2.888
   90    HE1  MET  11           HE1      MET  11 -15.344  -4.726  -1.842
   91    HE2  MET  11           HE2      MET  11 -16.845  -4.828  -0.920
   92    HE3  MET  11           HE3      MET  11 -15.687  -3.541  -0.582
   93    H    CYS  12           HN       CYS  12 -12.963   1.500  -3.504
   94    HA   CYS  12           HA       CYS  12 -13.666   3.424  -1.699
   95    HB2  CYS  12           HB2      CYS  12 -11.447   2.882  -3.319
   96    HB3  CYS  12           HB1      CYS  12 -11.878   4.548  -3.679
   97    H    GLY  13           HN       GLY  13 -13.666   5.884  -2.204
   98    HA2  GLY  13           HA2      GLY  13 -15.202   6.535  -4.602
   99    HA3  GLY  13           HA1      GLY  13 -15.991   6.808  -3.057
  100    H    ALA  14           HN       ALA  14 -14.605   8.119  -1.468
  101    HA   ALA  14           HA       ALA  14 -14.263  10.680  -2.406
  102    HB1  ALA  14           HB1      ALA  14 -14.373   9.857   0.005
  103    HB2  ALA  14           HB2      ALA  14 -13.310  11.224  -0.331
  104    HB3  ALA  14           HB3      ALA  14 -12.631   9.610  -0.123
  105    H    GLY  15           HN       GLY  15 -12.073  11.919  -2.165
  106    HA2  GLY  15           HA2      GLY  15 -10.429  11.144  -4.306
  107    HA3  GLY  15           HA1      GLY  15 -10.042  12.387  -3.128
  108    H    TYR  16           HN       TYR  16  -8.122  12.038  -2.253
  109    HA   TYR  16           HA       TYR  16  -7.285   9.258  -1.762
  110    HB2  TYR  16           HB2      TYR  16  -5.867  11.660  -2.713
  111    HB3  TYR  16           HB1      TYR  16  -4.994  10.721  -1.505
  112    HD1  TYR  16           HD2      TYR  16  -5.621   7.979  -2.122
  113    HD2  TYR  16           HD1      TYR  16  -4.940  11.227  -4.784
  114    HE1  TYR  16           HE2      TYR  16  -4.908   6.395  -3.862
  115    HE2  TYR  16           HE1      TYR  16  -4.227   9.651  -6.533
  116    HH   TYR  16           HH       TYR  16  -3.169   7.056  -6.352
  117    H    ASP  17           HN       ASP  17  -6.245   8.737   0.201
  118    HA   ASP  17           HA       ASP  17  -5.940   8.766   2.454
  119    HB2  ASP  17           HB2      ASP  17  -4.897  11.124   1.608
  120    HB3  ASP  17           HB1      ASP  17  -6.129  11.704   2.725
  121    H    SER  18           HN       SER  18  -8.043   7.850   2.710
  122    HA   SER  18           HA       SER  18  -9.964   9.730   3.913
  123    HB2  SER  18           HB2      SER  18 -10.668   8.815   1.653
  124    HB3  SER  18           HB1      SER  18 -10.753   7.228   2.418
  125    H    GLY  19           HN       GLY  19  -9.315   6.223   3.678
  126    HA2  GLY  19           HA2      GLY  19  -8.842   5.893   6.439
  127    HA3  GLY  19           HA1      GLY  19 -10.524   5.522   6.099
  128    H    THR  20           HN       THR  20 -10.888   3.926   4.310
  129    HA   THR  20           HA       THR  20  -9.426   1.559   4.864
  130    HB   THR  20           HB       THR  20 -11.139   1.773   2.429
  131    HG1  THR  20           HG1      THR  20 -12.875   2.244   3.510
  132   HG21  THR  20          HG21      THR  20 -12.055  -0.347   3.291
  133   HG22  THR  20          HG22      THR  20 -10.912  -0.262   4.631
  134   HG23  THR  20          HG23      THR  20 -10.322  -0.413   2.975
  135    H    CYS  21           HN       CYS  21  -9.777   3.394   1.823
  136    HA   CYS  21           HA       CYS  21  -8.056   2.059   0.203
  137    HB2  CYS  21           HB2      CYS  21  -9.016   4.818   0.372
  138    HB3  CYS  21           HB1      CYS  21  -7.462   4.670  -0.440
  139    H    ASP  22           HN       ASP  22  -7.100   4.682   2.420
  140    HA   ASP  22           HA       ASP  22  -4.327   4.446   1.853
  141    HB2  ASP  22           HB2      ASP  22  -6.023   6.029   3.623
  142    HB3  ASP  22           HB1      ASP  22  -4.488   5.595   4.370
  143    H    TYR  23           HN       TYR  23  -6.236   3.469   4.704
  144    HA   TYR  23           HA       TYR  23  -4.181   2.209   6.094
  145    HB2  TYR  23           HB2      TYR  23  -6.538   2.777   6.900
  146    HB3  TYR  23           HB1      TYR  23  -7.044   1.267   6.150
  147    HD1  TYR  23           HD1      TYR  23  -4.210   2.356   8.345
  148    HD2  TYR  23           HD2      TYR  23  -7.330  -0.452   7.650
  149    HE1  TYR  23           HE1      TYR  23  -3.557   1.138  10.377
  150    HE2  TYR  23           HE2      TYR  23  -6.686  -1.679   9.682
  151    HH   TYR  23           HH       TYR  23  -5.485  -1.135  11.859
  152    H    MET  24           HN       MET  24  -6.783   0.451   4.393
  153    HA   MET  24           HA       MET  24  -5.692  -2.047   4.426
  154    HB2  MET  24           HB2      MET  24  -7.748  -0.686   2.950
  155    HB3  MET  24           HB1      MET  24  -6.897  -1.798   1.894
  156    HG2  MET  24           HG2      MET  24  -7.773  -2.764   4.565
  157    HG3  MET  24           HG1      MET  24  -8.979  -2.563   3.294
  158    HE1  MET  24           HE1      MET  24  -8.142  -6.137   4.187
  159    HE2  MET  24           HE2      MET  24  -7.671  -4.731   5.141
  160    HE3  MET  24           HE3      MET  24  -6.435  -5.752   4.408
  161    H    TYR  25           HN       TYR  25  -5.428   0.142   1.613
  162    HA   TYR  25           HA       TYR  25  -3.633  -1.333   0.131
  163    HB2  TYR  25           HB2      TYR  25  -4.841   0.865  -0.458
  164    HB3  TYR  25           HB1      TYR  25  -3.456   1.665   0.269
  165    HD1  TYR  25           HD1      TYR  25  -3.588  -1.392  -1.858
  166    HD2  TYR  25           HD2      TYR  25  -2.314   2.652  -1.504
  167    HE1  TYR  25           HE1      TYR  25  -2.362  -1.599  -3.980
  168    HE2  TYR  25           HE2      TYR  25  -1.085   2.457  -3.624
  169    HH   TYR  25           HH       TYR  25  -0.111  -0.110  -4.957
  170    H    SER  26           HN       SER  26  -2.728   1.457   2.146
  171    HA   SER  26           HA       SER  26  -0.022   1.303   2.049
  172    HB2  SER  26           HB2      SER  26  -1.716   1.937   4.464
  173    HB3  SER  26           HB1      SER  26   0.010   2.273   4.350
  174    HG   SER  26           HG       SER  26  -0.965   4.119   3.708
  175    H    HIS  27           HN       HIS  27  -2.021  -0.442   4.430
  176    HA   HIS  27           HA       HIS  27   0.165  -1.831   5.580
  177    HB2  HIS  27           HB2      HIS  27  -2.588  -1.552   6.104
  178    HB3  HIS  27           HB1      HIS  27  -2.307  -3.276   5.884
  179    HD1  HIS  27           HD1      HIS  27  -1.614  -4.463   7.933
  180    HD2  HIS  27           HD2      HIS  27  -0.613  -0.433   8.076
  181    HE1  HIS  27           HE1      HIS  27  -0.615  -4.099  10.211
  182    HE2  HIS  27           HE2      HIS  27   0.043  -1.668  10.253
  183    H    CYS  28           HN       CYS  28  -1.960  -2.507   2.885
  184    HA   CYS  28           HA       CYS  28  -1.161  -5.260   2.651
  185    HB2  CYS  28           HB2      CYS  28  -3.376  -4.455   1.881
  186    HB3  CYS  28           HB1      CYS  28  -2.576  -3.502   0.636
  187    H    PHE  29           HN       PHE  29  -0.049  -2.205   1.445
  188    HA   PHE  29           HA       PHE  29   1.696  -3.484  -0.515
  189    HB2  PHE  29           HB2      PHE  29   0.330  -1.189  -0.715
  190    HB3  PHE  29           HB1      PHE  29   1.824  -0.555  -0.034
  191    HD1  PHE  29           HD1      PHE  29   0.457  -2.544  -2.843
  192    HD2  PHE  29           HD2      PHE  29   3.710  -0.227  -1.373
  193    HE1  PHE  29           HE1      PHE  29   1.483  -2.573  -5.080
  194    HE2  PHE  29           HE2      PHE  29   4.742  -0.251  -3.607
  195    HZ   PHE  29           HZ       PHE  29   3.627  -1.424  -5.463
  196    H    GLY  30           HN       GLY  30   1.777  -2.168   2.663
  197    HA2  GLY  30           HA2      GLY  30   3.460  -2.056   4.220
  198    HA3  GLY  30           HA1      GLY  30   4.388  -3.113   3.166
  199    H    ILE  31           HN       ILE  31   4.006   0.050   4.366
  200    HA   ILE  31           HA       ILE  31   6.156   0.989   2.581
  201    HB   ILE  31           HB       ILE  31   4.049   2.776   3.788
  202   HG12  ILE  31          HG12      ILE  31   4.190   1.651   0.981
  203   HG13  ILE  31          HG11      ILE  31   3.002   1.212   2.204
  204   HG21  ILE  31          HG21      ILE  31   6.292   3.725   3.172
  205   HG22  ILE  31          HG22      ILE  31   4.912   4.464   2.358
  206   HG23  ILE  31          HG23      ILE  31   5.927   3.306   1.497
  207   HD11  ILE  31          HD11      ILE  31   1.717   2.931   1.667
  208   HD12  ILE  31          HD12      ILE  31   2.780   3.201   0.285
  209   HD13  ILE  31          HD13      ILE  31   3.064   4.063   1.798
  210    H    LYS  32           HN       LYS  32   7.655   0.251   4.188
  211    HA   LYS  32           HA       LYS  32   7.915   2.149   6.417
  212    HB2  LYS  32           HB2      LYS  32   7.073  -0.278   6.983
  213    HB3  LYS  32           HB1      LYS  32   8.769  -0.696   6.785
  214    HG2  LYS  32           HG2      LYS  32   9.427   0.668   8.578
  215    HG3  LYS  32           HG1      LYS  32   7.880   1.513   8.610
  216    HD2  LYS  32           HD2      LYS  32   7.601   0.085  10.380
  217    HD3  LYS  32           HD1      LYS  32   6.946  -0.906   9.074
  218    HE2  LYS  32           HE2      LYS  32   8.643  -2.388   9.175
  219    HE3  LYS  32           HE1      LYS  32   9.847  -1.144   9.509
  220    HZ1  LYS  32           HZ1      LYS  32   9.573  -1.345  11.731
  221    HZ2  LYS  32           HZ2      LYS  32   9.083  -2.909  11.313
  222    HZ3  LYS  32           HZ3      LYS  32   7.926  -1.716  11.625
  223    H    HIS  33           HN       HIS  33   9.168   2.366   3.931
  224    HA   HIS  33           HA       HIS  33  11.969   1.875   4.689
  225    HB2  HIS  33           HB2      HIS  33  10.619   1.377   2.050
  226    HB3  HIS  33           HB1      HIS  33  12.347   1.706   2.129
  227    HD1  HIS  33           HD1      HIS  33  13.812  -0.062   3.448
  228    HD2  HIS  33           HD2      HIS  33   9.874  -1.182   2.737
  229    HE1  HIS  33           HE1      HIS  33  13.734  -2.542   3.857
  230    HE2  HIS  33           HE2      HIS  33  11.354  -3.208   3.364
  231    H    HIS  34           HN       HIS  34  10.454   4.232   5.168
  232    HA   HIS  34           HA       HIS  34  11.452   6.129   3.172
  233    HB2  HIS  34           HB2      HIS  34   9.063   5.992   4.634
  234    HB3  HIS  34           HB1      HIS  34   9.956   7.339   5.333
  235    HD1  HIS  34           HD1      HIS  34   7.373   7.097   3.188
  236    HD2  HIS  34           HD2      HIS  34  11.173   8.690   2.652
  237    HE1  HIS  34           HE1      HIS  34   7.160   8.713   1.274
  238    HE2  HIS  34           HE2      HIS  34   9.480   9.638   0.942
  239    H    SER  35           HN       SER  35  12.789   7.853   3.709
  240    HA   SER  35           HA       SER  35  14.464   8.948   4.788
  241    HB2  SER  35           HB2      SER  35  12.697   9.371   6.488
  242    HB3  SER  35           HB1      SER  35  13.178   7.890   7.318
  243    HG   SER  35           HG       SER  35  15.199   8.811   7.699
  244    H    SER  36           HN       SER  36  15.018   6.414   3.795
  245    HA   SER  36           HA       SER  36  17.322   5.728   5.390
  246    HB2  SER  36           HB2      SER  36  14.915   3.995   5.278
  247    HB3  SER  36           HB1      SER  36  16.472   3.191   5.082
  248    HG   SER  36           HG       SER  36  15.691   4.867   7.237
  249    H    GLY  37           HN       GLY  37  17.857   6.780   3.193
  250    HA2  GLY  37           HA2      GLY  37  18.259   4.597   1.243
  251    HA3  GLY  37           HA1      GLY  37  17.808   6.218   0.732
  252    H    SER  38           HN       SER  38  19.335   7.978   1.341
  253    HA   SER  38           HA       SER  38  21.404   8.917   1.223
  254    HB2  SER  38           HB2      SER  38  21.528   7.025   3.266
  255    HB3  SER  38           HB1      SER  38  22.963   6.704   2.293
  256    HG   SER  38           HG       SER  38  22.893   8.454   4.079
  257    H    SER  39           HN       SER  39  20.629   7.858  -1.113
  258    HA   SER  39           HA       SER  39  22.956   6.366  -2.124
  259    HB2  SER  39           HB2      SER  39  21.316   6.091  -4.161
  260    HB3  SER  39           HB1      SER  39  21.121   5.085  -2.726
  261    HG   SER  39           HG       SER  39  19.294   6.050  -2.296
  262    H    SER  40           HN       SER  40  21.065   9.281  -2.490
  263    HA   SER  40           HA       SER  40  21.360  11.174  -3.723
  264    HB2  SER  40           HB2      SER  40  23.557  12.038  -3.828
  265    HB3  SER  40           HB1      SER  40  23.561  10.989  -2.411
  266    HG   SER  40           HG       SER  40  24.736  10.590  -4.930
  267    H    TYR  41           HN       TYR  41  20.249  10.717  -5.583
  268    HA   TYR  41           HA       TYR  41  21.763   9.499  -7.791
  269    HB2  TYR  41           HB2      TYR  41  18.787   9.791  -7.349
  270    HB3  TYR  41           HB1      TYR  41  19.498   9.199  -8.846
  271    HD1  TYR  41           HD1      TYR  41  21.324   7.243  -8.390
  272    HD2  TYR  41           HD2      TYR  41  18.010   8.188  -5.896
  273    HE1  TYR  41           HE1      TYR  41  21.377   4.965  -7.466
  274    HE2  TYR  41           HE2      TYR  41  18.054   5.913  -4.965
  275    HH   TYR  41           HH       TYR  41  19.533   3.395  -6.332
  276    H    HIS  42           HN       HIS  42  19.353  12.062  -7.209
  277    HA   HIS  42           HA       HIS  42  20.840  13.956  -8.755
  278    HB2  HIS  42           HB2      HIS  42  19.056  14.331 -10.460
  279    HB3  HIS  42           HB1      HIS  42  19.872  12.780 -10.624
  280    HD1  HIS  42           HD1      HIS  42  17.494  12.411 -12.015
  281    HD2  HIS  42           HD2      HIS  42  17.348  12.430  -7.862
  282    HE1  HIS  42           HE1      HIS  42  15.329  11.282 -11.414
  283    HE2  HIS  42           HE2      HIS  42  15.300  11.236  -8.894
  284    H    CYS  43           HN       CYS  43  19.802  13.806  -6.109
  285    HA   CYS  43           HA       CYS  43  17.397  15.222  -5.769
  286    HB2  CYS  43           HB2      CYS  43  19.652  14.390  -4.083
  287    HB3  CYS  43           HB1      CYS  43  18.867  15.869  -3.541
  288    H1   NAG  44           H1       NAG  44 -12.447  10.218   1.737
  289    H2   NAG  44           H2       NAG  44 -14.256  10.460   2.069
  290    H3   NAG  44           H3       NAG  44 -15.766  11.446   3.253
  291    H4   NAG  44           H4       NAG  44 -14.294  13.477   3.591
  292    H5   NAG  44           H5       NAG  44 -12.746  12.381   4.451
  293    H61  NAG  44           H61      NAG  44 -10.652  13.122   4.303
  294    H62  NAG  44           H62      NAG  44 -11.150  14.011   2.846
  295    H81  NAG  44           H81      NAG  44 -16.386   6.923   2.157
  296    H82  NAG  44           H82      NAG  44 -16.674   6.445   3.852
  297    H83  NAG  44           H83      NAG  44 -17.744   7.640   3.067
  298    HN2  NAG  44           HN2      NAG  44 -15.057   8.680   1.775
  299    HO3  NAG  44           HO3      NAG  44 -15.269  12.069   5.348
  300    HO4  NAG  44           HO4      NAG  44 -14.119  13.626   1.445
  301    HO6  NAG  44           HO6      NAG  44 -11.554  14.856   5.216
  302    H1   NAG  45           H1       NAG  45  15.568  14.938  -2.202
  303    H2   NAG  45           H2       NAG  45  18.224  15.331  -0.752
  304    H3   NAG  45           H3       NAG  45  15.358  15.959   0.089
  305    H4   NAG  45           H4       NAG  45  17.700  17.817  -0.557
  306    H5   NAG  45           H5       NAG  45  15.076  17.339  -2.048
  307    H61  NAG  45           H61      NAG  45  15.732  19.643  -2.310
  308    H62  NAG  45           H62      NAG  45  16.145  18.763  -3.797
  309    H81  NAG  45           H81      NAG  45  16.699  11.818   1.541
  310    H82  NAG  45           H82      NAG  45  17.398  11.001   0.116
  311    H83  NAG  45           H83      NAG  45  18.431  11.387   1.519
  312    HN2  NAG  45           HN2      NAG  45  15.991  13.472  -0.089
  313    HO3  NAG  45           HO3      NAG  45  16.253  16.416   1.995
  314    HO4  NAG  45           HO4      NAG  45  16.157  18.501   1.086
  315    HO6  NAG  45           HO6      NAG  45  18.131  19.424  -3.474
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1  -6.575 -17.027  -8.072
    2    H2   LYS   1           HT2      LYS   1  -5.843 -17.258  -9.607
    3    H3   LYS   1           HT3      LYS   1  -7.427 -16.606  -9.498
    4    HA   LYS   1           HA       LYS   1  -4.867 -15.376  -8.768
    5    HB2  LYS   1           HB2      LYS   1  -5.655 -15.236 -11.099
    6    HB3  LYS   1           HB1      LYS   1  -7.178 -14.555 -10.543
    7    HG2  LYS   1           HG2      LYS   1  -6.276 -12.549 -10.787
    8    HG3  LYS   1           HG1      LYS   1  -5.214 -12.924  -9.429
    9    HD2  LYS   1           HD2      LYS   1  -3.502 -13.716 -10.885
   10    HD3  LYS   1           HD1      LYS   1  -4.583 -13.670 -12.279
   11    HE2  LYS   1           HE2      LYS   1  -3.765 -11.239 -10.696
   12    HE3  LYS   1           HE1      LYS   1  -2.947 -11.781 -12.161
   13    HZ1  LYS   1           HZ1      LYS   1  -5.164 -10.144 -11.993
   14    HZ2  LYS   1           HZ2      LYS   1  -5.739 -11.617 -12.595
   15    HZ3  LYS   1           HZ3      LYS   1  -4.489 -10.808 -13.395
   16    HA   PRO   2           HA       PRO   2  -7.463 -14.097  -5.208
   17    HB2  PRO   2           HB2      PRO   2  -4.819 -12.982  -4.439
   18    HB3  PRO   2           HB1      PRO   2  -5.945 -13.966  -3.497
   19    HG2  PRO   2           HG2      PRO   2  -3.699 -15.019  -4.472
   20    HG3  PRO   2           HG1      PRO   2  -5.208 -15.951  -4.440
   21    HD2  PRO   2           HD2      PRO   2  -3.873 -14.578  -6.737
   22    HD3  PRO   2           HD1      PRO   2  -4.728 -16.134  -6.695
   23    H    ALA   3           HN       ALA   3  -8.374 -12.151  -4.742
   24    HA   ALA   3           HA       ALA   3  -7.156  -9.680  -5.653
   25    HB1  ALA   3           HB1      ALA   3  -8.531  -9.181  -7.358
   26    HB2  ALA   3           HB2      ALA   3  -9.937  -9.891  -6.565
   27    HB3  ALA   3           HB3      ALA   3  -8.795 -10.924  -7.425
   28    H    TRP   4           HN       TRP   4  -7.145  -9.466  -3.309
   29    HA   TRP   4           HA       TRP   4  -9.785  -8.808  -2.186
   30    HB2  TRP   4           HB2      TRP   4  -7.509 -10.255  -1.141
   31    HB3  TRP   4           HB1      TRP   4  -7.920  -8.904  -0.096
   32    HD1  TRP   4           HD1      TRP   4  -9.380 -12.164  -1.466
   33    HE1  TRP   4           HE1      TRP   4 -11.345 -12.881   0.037
   34    HE3  TRP   4           HE3      TRP   4  -9.655  -8.030   1.520
   35    HZ2  TRP   4           HZ2      TRP   4 -12.814 -11.827   2.206
   36    HZ3  TRP   4           HZ3      TRP   4 -11.368  -7.960   3.287
   37    HH2  TRP   4           HH2      TRP   4 -12.914  -9.820   3.621
   38    H    CYS   5           HN       CYS   5  -6.408  -7.726  -2.342
   39    HA   CYS   5           HA       CYS   5  -6.637  -5.366  -0.904
   40    HB2  CYS   5           HB2      CYS   5  -4.827  -6.315  -3.079
   41    HB3  CYS   5           HB1      CYS   5  -4.783  -4.608  -2.652
   42    H    TRP   6           HN       TRP   6  -6.731  -5.637  -4.472
   43    HA   TRP   6           HA       TRP   6  -7.449  -3.067  -5.070
   44    HB2  TRP   6           HB2      TRP   6  -7.888  -3.792  -7.194
   45    HB3  TRP   6           HB1      TRP   6  -6.988  -5.173  -6.585
   46    HD1  TRP   6           HD1      TRP   6  -8.667  -7.231  -5.605
   47    HE1  TRP   6           HE1      TRP   6 -10.829  -8.126  -6.697
   48    HE3  TRP   6           HE3      TRP   6  -9.762  -3.232  -8.551
   49    HZ2  TRP   6           HZ2      TRP   6 -12.752  -7.225  -8.575
   50    HZ3  TRP   6           HZ3      TRP   6 -11.778  -3.309  -9.970
   51    HH2  TRP   6           HH2      TRP   6 -13.240  -5.266  -9.978
   52    H    TYR   7           HN       TYR   7  -9.550  -5.671  -3.996
   53    HA   TYR   7           HA       TYR   7 -12.038  -4.543  -4.438
   54    HB2  TYR   7           HB2      TYR   7 -11.559  -6.858  -3.562
   55    HB3  TYR   7           HB1      TYR   7 -11.276  -6.135  -1.982
   56    HD1  TYR   7           HD1      TYR   7 -13.902  -5.296  -4.485
   57    HD2  TYR   7           HD2      TYR   7 -13.020  -6.958  -0.669
   58    HE1  TYR   7           HE1      TYR   7 -16.307  -5.432  -3.996
   59    HE2  TYR   7           HE2      TYR   7 -15.424  -7.101  -0.169
   60    HH   TYR   7           HH       TYR   7 -17.603  -7.270  -1.632
   61    H    THR   8           HN       THR   8  -9.998  -4.253  -1.534
   62    HA   THR   8           HA       THR   8 -11.642  -2.515  -0.098
   63    HB   THR   8           HB       THR   8  -8.665  -2.987  -0.087
   64    HG1  THR   8           HG1      THR   8 -10.861  -3.802   1.450
   65   HG21  THR   8          HG21      THR   8 -10.076  -1.407   2.038
   66   HG22  THR   8          HG22      THR   8  -9.191  -0.643   0.718
   67   HG23  THR   8          HG23      THR   8  -8.347  -1.696   1.852
   68    H    LEU   9           HN       LEU   9  -9.505  -1.943  -2.776
   69    HA   LEU   9           HA       LEU   9  -9.397   0.909  -2.426
   70    HB2  LEU   9           HB2      LEU   9  -7.524   0.220  -3.534
   71    HB3  LEU   9           HB1      LEU   9  -8.351  -1.087  -4.350
   72    HG   LEU   9           HG       LEU   9  -9.190   0.374  -6.032
   73   HD11  LEU   9          HD11      LEU   9  -7.944   2.859  -5.317
   74   HD12  LEU   9          HD12      LEU   9  -9.041   2.333  -4.041
   75   HD13  LEU   9          HD13      LEU   9  -9.633   2.521  -5.692
   76   HD21  LEU   9          HD21      LEU   9  -7.173   0.006  -6.922
   77   HD22  LEU   9          HD22      LEU   9  -6.344   0.320  -5.397
   78   HD23  LEU   9          HD23      LEU   9  -6.804   1.663  -6.443
   79    H    ALA  10           HN       ALA  10 -10.903  -1.231  -4.851
   80    HA   ALA  10           HA       ALA  10 -12.272   0.582  -6.358
   81    HB1  ALA  10           HB1      ALA  10 -13.074  -1.259  -7.302
   82    HB2  ALA  10           HB2      ALA  10 -14.005  -1.652  -5.857
   83    HB3  ALA  10           HB3      ALA  10 -12.334  -2.196  -6.004
   84    H    MET  11           HN       MET  11 -13.050  -0.472  -3.114
   85    HA   MET  11           HA       MET  11 -15.655   0.781  -3.131
   86    HB2  MET  11           HB2      MET  11 -14.094  -0.324  -0.791
   87    HB3  MET  11           HB1      MET  11 -15.806   0.071  -0.814
   88    HG2  MET  11           HG2      MET  11 -15.593  -1.693  -2.892
   89    HG3  MET  11           HG1      MET  11 -14.422  -2.323  -1.732
   90    HE1  MET  11           HE1      MET  11 -18.745  -1.925  -1.894
   91    HE2  MET  11           HE2      MET  11 -18.264  -3.588  -2.232
   92    HE3  MET  11           HE3      MET  11 -17.515  -2.257  -3.113
   93    H    CYS  12           HN       CYS  12 -12.407   1.603  -2.234
   94    HA   CYS  12           HA       CYS  12 -12.820   3.648  -0.405
   95    HB2  CYS  12           HB2      CYS  12 -10.600   2.779  -0.947
   96    HB3  CYS  12           HB1      CYS  12 -10.709   3.467  -2.564
   97    H    GLY  13           HN       GLY  13 -12.815   5.955  -0.658
   98    HA2  GLY  13           HA2      GLY  13 -12.912   7.577  -2.764
   99    HA3  GLY  13           HA1      GLY  13 -14.477   6.788  -2.901
  100    H    ALA  14           HN       ALA  14 -12.449   8.611  -0.632
  101    HA   ALA  14           HA       ALA  14 -14.751  10.182   0.159
  102    HB1  ALA  14           HB1      ALA  14 -13.517   9.442   2.608
  103    HB2  ALA  14           HB2      ALA  14 -13.926   7.968   1.729
  104    HB3  ALA  14           HB3      ALA  14 -15.176   9.160   2.082
  105    H    GLY  15           HN       GLY  15 -12.435  10.892  -1.252
  106    HA2  GLY  15           HA2      GLY  15 -10.755  12.457  -1.282
  107    HA3  GLY  15           HA1      GLY  15 -11.641  13.219   0.029
  108    H    TYR  16           HN       TYR  16  -9.609  13.886   0.904
  109    HA   TYR  16           HA       TYR  16  -7.455  12.307   1.558
  110    HB2  TYR  16           HB2      TYR  16  -6.955  13.934   3.324
  111    HB3  TYR  16           HB1      TYR  16  -7.484  14.743   1.853
  112    HD1  TYR  16           HD2      TYR  16  -8.873  13.440   5.068
  113    HD2  TYR  16           HD1      TYR  16  -9.085  16.405   2.024
  114    HE1  TYR  16           HE2      TYR  16 -10.600  14.626   6.353
  115    HE2  TYR  16           HE1      TYR  16 -10.813  17.599   3.301
  116    HH   TYR  16           HH       TYR  16 -12.631  16.736   5.192
  117    H    ASP  17           HN       ASP  17  -6.879  10.974   3.236
  118    HA   ASP  17           HA       ASP  17  -7.218   9.331   4.782
  119    HB2  ASP  17           HB2      ASP  17  -8.812  11.602   5.978
  120    HB3  ASP  17           HB1      ASP  17  -8.498  10.093   6.832
  121    H    SER  18           HN       SER  18  -8.789   8.967   2.578
  122    HA   SER  18           HA       SER  18 -11.510   8.746   2.823
  123    HB2  SER  18           HB2      SER  18  -9.525   6.958   1.416
  124    HB3  SER  18           HB1      SER  18 -11.268   6.738   1.268
  125    H    GLY  19           HN       GLY  19  -9.053   6.799   4.336
  126    HA2  GLY  19           HA2      GLY  19  -9.437   5.522   6.291
  127    HA3  GLY  19           HA1      GLY  19 -11.141   5.432   5.868
  128    H    THR  20           HN       THR  20 -10.774   4.605   3.162
  129    HA   THR  20           HA       THR  20 -10.168   1.797   3.645
  130    HB   THR  20           HB       THR  20 -11.121   2.809   1.000
  131    HG1  THR  20           HG1      THR  20 -12.991   3.418   1.735
  132   HG21  THR  20          HG21      THR  20 -10.766   0.392   1.391
  133   HG22  THR  20          HG22      THR  20 -12.424   0.808   0.957
  134   HG23  THR  20          HG23      THR  20 -12.015   0.450   2.635
  135    H    CYS  21           HN       CYS  21  -9.176   4.451   1.525
  136    HA   CYS  21           HA       CYS  21  -7.286   2.969   0.028
  137    HB2  CYS  21           HB2      CYS  21  -7.718   5.903   0.524
  138    HB3  CYS  21           HB1      CYS  21  -6.318   5.341  -0.384
  139    H    ASP  22           HN       ASP  22  -6.909   5.186   2.785
  140    HA   ASP  22           HA       ASP  22  -4.156   4.978   3.094
  141    HB2  ASP  22           HB2      ASP  22  -5.603   6.606   4.291
  142    HB3  ASP  22           HB1      ASP  22  -6.205   5.295   5.300
  143    H    TYR  23           HN       TYR  23  -6.742   2.939   4.391
  144    HA   TYR  23           HA       TYR  23  -5.078   1.290   5.974
  145    HB2  TYR  23           HB2      TYR  23  -7.789   1.557   5.624
  146    HB3  TYR  23           HB1      TYR  23  -7.471   0.003   4.861
  147    HD1  TYR  23           HD1      TYR  23  -7.325   1.887   8.017
  148    HD2  TYR  23           HD2      TYR  23  -6.833  -1.911   6.166
  149    HE1  TYR  23           HE1      TYR  23  -7.288   0.819  10.232
  150    HE2  TYR  23           HE2      TYR  23  -6.796  -2.991   8.375
  151    HH   TYR  23           HH       TYR  23  -6.522  -1.204  11.288
  152    H    MET  24           HN       MET  24  -6.575   0.692   2.785
  153    HA   MET  24           HA       MET  24  -5.502  -1.742   2.173
  154    HB2  MET  24           HB2      MET  24  -6.824   0.292   0.793
  155    HB3  MET  24           HB1      MET  24  -5.341   0.033  -0.115
  156    HG2  MET  24           HG2      MET  24  -6.752  -2.414   0.668
  157    HG3  MET  24           HG1      MET  24  -7.617  -1.364  -0.454
  158    HE1  MET  24           HE1      MET  24  -6.112  -0.030  -2.077
  159    HE2  MET  24           HE2      MET  24  -5.600  -1.013  -3.449
  160    HE3  MET  24           HE3      MET  24  -4.408  -0.434  -2.285
  161    H    TYR  25           HN       TYR  25  -4.074   1.323   1.082
  162    HA   TYR  25           HA       TYR  25  -1.709   0.397   0.080
  163    HB2  TYR  25           HB2      TYR  25  -2.749   2.818   0.310
  164    HB3  TYR  25           HB1      TYR  25  -1.658   2.913   1.684
  165    HD1  TYR  25           HD1      TYR  25   0.587   1.235   0.513
  166    HD2  TYR  25           HD2      TYR  25  -1.730   4.409  -1.118
  167    HE1  TYR  25           HE1      TYR  25   2.442   1.805  -0.997
  168    HE2  TYR  25           HE2      TYR  25   0.118   4.986  -2.634
  169    HH   TYR  25           HH       TYR  25   3.255   3.434  -2.383
  170    H    SER  26           HN       SER  26  -1.964   1.814   3.346
  171    HA   SER  26           HA       SER  26   0.519   1.124   4.283
  172    HB2  SER  26           HB2      SER  26  -1.698   2.310   5.371
  173    HB3  SER  26           HB1      SER  26  -1.590   0.820   6.307
  174    HG   SER  26           HG       SER  26   0.712   2.372   5.882
  175    H    HIS  27           HN       HIS  27  -2.338  -0.915   4.073
  176    HA   HIS  27           HA       HIS  27  -1.112  -3.063   5.560
  177    HB2  HIS  27           HB2      HIS  27  -3.593  -2.552   5.534
  178    HB3  HIS  27           HB1      HIS  27  -3.625  -3.207   3.900
  179    HD1  HIS  27           HD1      HIS  27  -2.683  -5.793   3.765
  180    HD2  HIS  27           HD2      HIS  27  -4.004  -4.412   7.455
  181    HE1  HIS  27           HE1      HIS  27  -3.120  -7.855   5.137
  182    HE2  HIS  27           HE2      HIS  27  -3.979  -6.997   7.345
  183    H    CYS  28           HN       CYS  28  -2.517  -3.028   2.293
  184    HA   CYS  28           HA       CYS  28  -1.430  -5.321   1.302
  185    HB2  CYS  28           HB2      CYS  28  -2.985  -3.470   0.238
  186    HB3  CYS  28           HB1      CYS  28  -1.475  -2.929  -0.483
  187    H    PHE  29           HN       PHE  29   0.113  -2.127   1.373
  188    HA   PHE  29           HA       PHE  29   2.543  -3.183   0.197
  189    HB2  PHE  29           HB2      PHE  29   1.822  -0.426   1.201
  190    HB3  PHE  29           HB1      PHE  29   3.374  -0.837   0.479
  191    HD1  PHE  29           HD1      PHE  29  -0.272  -1.081  -0.264
  192    HD2  PHE  29           HD2      PHE  29   3.661  -0.470  -1.769
  193    HE1  PHE  29           HE1      PHE  29  -1.201  -0.639  -2.499
  194    HE2  PHE  29           HE2      PHE  29   2.740  -0.027  -4.007
  195    HZ   PHE  29           HZ       PHE  29   0.309  -0.105  -4.374
  196    H    GLY  30           HN       GLY  30   1.267  -2.447   3.321
  197    HA2  GLY  30           HA2      GLY  30   2.107  -3.202   5.365
  198    HA3  GLY  30           HA1      GLY  30   3.612  -3.622   4.563
  199    H    ILE  31           HN       ILE  31   3.546  -2.369   7.045
  200    HA   ILE  31           HA       ILE  31   4.114   0.453   6.573
  201    HB   ILE  31           HB       ILE  31   4.199  -1.083   9.171
  202   HG12  ILE  31          HG12      ILE  31   2.005   0.712   8.119
  203   HG13  ILE  31          HG11      ILE  31   1.950  -1.047   8.066
  204   HG21  ILE  31          HG21      ILE  31   3.768   1.847   9.034
  205   HG22  ILE  31          HG22      ILE  31   5.399   1.241   8.740
  206   HG23  ILE  31          HG23      ILE  31   4.583   0.876  10.260
  207   HD11  ILE  31          HD11      ILE  31   2.233  -0.988  10.579
  208   HD12  ILE  31          HD12      ILE  31   0.691  -0.417   9.940
  209   HD13  ILE  31          HD13      ILE  31   1.909   0.742  10.470
  210    H    LYS  32           HN       LYS  32   5.981  -0.426   5.181
  211    HA   LYS  32           HA       LYS  32   8.208  -0.783   4.847
  212    HB2  LYS  32           HB2      LYS  32   8.038   1.483   6.093
  213    HB3  LYS  32           HB1      LYS  32   8.684   0.602   7.471
  214    HG2  LYS  32           HG2      LYS  32  10.749   0.653   6.653
  215    HG3  LYS  32           HG1      LYS  32  10.214   0.128   5.055
  216    HD2  LYS  32           HD2      LYS  32   9.676   2.361   4.418
  217    HD3  LYS  32           HD1      LYS  32   9.900   2.948   6.067
  218    HE2  LYS  32           HE2      LYS  32  11.938   3.535   5.306
  219    HE3  LYS  32           HE1      LYS  32  12.318   1.841   5.611
  220    HZ1  LYS  32           HZ1      LYS  32  13.059   2.316   3.443
  221    HZ2  LYS  32           HZ2      LYS  32  11.624   3.108   3.025
  222    HZ3  LYS  32           HZ3      LYS  32  11.631   1.430   3.245
  223    H    HIS  33           HN       HIS  33   8.249  -3.026   5.079
  224    HA   HIS  33           HA       HIS  33   8.989  -4.066   7.722
  225    HB2  HIS  33           HB2      HIS  33   8.416  -6.278   6.818
  226    HB3  HIS  33           HB1      HIS  33   7.070  -5.154   6.659
  227    HD1  HIS  33           HD1      HIS  33   6.196  -4.712   4.335
  228    HD2  HIS  33           HD2      HIS  33   9.745  -6.874   4.340
  229    HE1  HIS  33           HE1      HIS  33   6.528  -5.466   1.960
  230    HE2  HIS  33           HE2      HIS  33   8.738  -6.674   1.967
  231    H    HIS  34           HN       HIS  34  10.858  -2.612   6.049
  232    HA   HIS  34           HA       HIS  34  13.107  -4.260   6.302
  233    HB2  HIS  34           HB2      HIS  34  13.627  -4.415   3.794
  234    HB3  HIS  34           HB1      HIS  34  12.447  -5.547   4.446
  235    HD1  HIS  34           HD1      HIS  34  11.870  -1.959   3.335
  236    HD2  HIS  34           HD2      HIS  34  10.723  -5.833   2.366
  237    HE1  HIS  34           HE1      HIS  34  10.109  -1.713   1.558
  238    HE2  HIS  34           HE2      HIS  34   9.439  -4.071   0.973
  239    H    SER  35           HN       SER  35  12.885  -1.847   7.229
  240    HA   SER  35           HA       SER  35  13.540   0.290   5.503
  241    HB2  SER  35           HB2      SER  35  12.598   0.507   7.831
  242    HB3  SER  35           HB1      SER  35  14.198   0.092   8.449
  243    HG   SER  35           HG       SER  35  14.316   2.232   8.357
  244    H    SER  36           HN       SER  36  15.234  -0.366   4.166
  245    HA   SER  36           HA       SER  36  17.396  -0.611   3.502
  246    HB2  SER  36           HB2      SER  36  17.689   1.548   4.629
  247    HB3  SER  36           HB1      SER  36  17.974   0.721   6.160
  248    HG   SER  36           HG       SER  36  19.787   1.396   4.477
  249    H    GLY  37           HN       GLY  37  19.690  -1.411   4.451
  250    HA2  GLY  37           HA2      GLY  37  20.174  -3.033   6.497
  251    HA3  GLY  37           HA1      GLY  37  19.090  -4.044   5.553
  252    H    SER  38           HN       SER  38  19.861  -5.133   3.817
  253    HA   SER  38           HA       SER  38  22.270  -4.421   2.467
  254    HB2  SER  38           HB2      SER  38  23.327  -5.336   4.452
  255    HB3  SER  38           HB1      SER  38  22.346  -6.797   4.342
  256    HG   SER  38           HG       SER  38  24.173  -7.388   3.361
  257    H    SER  39           HN       SER  39  21.028  -4.641   0.621
  258    HA   SER  39           HA       SER  39  20.886  -7.256  -0.490
  259    HB2  SER  39           HB2      SER  39  18.878  -7.556   0.741
  260    HB3  SER  39           HB1      SER  39  18.320  -5.924   0.373
  261    HG   SER  39           HG       SER  39  17.281  -7.512  -0.913
  262    H    SER  40           HN       SER  40  21.881  -6.594  -2.311
  263    HA   SER  40           HA       SER  40  21.642  -4.162  -3.602
  264    HB2  SER  40           HB2      SER  40  22.169  -5.772  -5.704
  265    HB3  SER  40           HB1      SER  40  23.386  -5.317  -4.512
  266    HG   SER  40           HG       SER  40  22.940  -7.685  -5.088
  267    H    TYR  41           HN       TYR  41  19.517  -6.909  -3.657
  268    HA   TYR  41           HA       TYR  41  18.007  -5.927  -5.930
  269    HB2  TYR  41           HB2      TYR  41  17.754  -8.329  -4.132
  270    HB3  TYR  41           HB1      TYR  41  16.489  -7.901  -5.279
  271    HD1  TYR  41           HD2      TYR  41  16.919  -8.011  -7.701
  272    HD2  TYR  41           HD1      TYR  41  19.835  -9.273  -4.871
  273    HE1  TYR  41           HE2      TYR  41  18.129  -9.196  -9.484
  274    HE2  TYR  41           HE1      TYR  41  21.053 -10.461  -6.646
  275    HH   TYR  41           HH       TYR  41  20.255 -10.081  -9.993
  276    H    HIS  42           HN       HIS  42  16.004  -4.997  -5.867
  277    HA   HIS  42           HA       HIS  42  15.246  -3.783  -3.348
  278    HB2  HIS  42           HB2      HIS  42  14.254  -3.458  -6.178
  279    HB3  HIS  42           HB1      HIS  42  13.498  -2.649  -4.810
  280    HD1  HIS  42           HD1      HIS  42  14.800  -0.706  -3.713
  281    HD2  HIS  42           HD2      HIS  42  16.741  -2.432  -6.958
  282    HE1  HIS  42           HE1      HIS  42  16.665   0.875  -4.300
  283    HE2  HIS  42           HE2      HIS  42  17.873  -0.227  -6.217
  284    H    CYS  43           HN       CYS  43  13.861  -6.010  -5.717
  285    HA   CYS  43           HA       CYS  43  12.182  -7.539  -5.575
  286    HB2  CYS  43           HB2      CYS  43  12.956  -7.196  -2.707
  287    HB3  CYS  43           HB1      CYS  43  11.511  -8.125  -3.095
  288    H1   NAG  44           H1       NAG  44  -9.130   7.509  -0.813
  289    H2   NAG  44           H2       NAG  44 -10.501  10.097  -1.407
  290    H3   NAG  44           H3       NAG  44  -8.669  10.461  -3.230
  291    H4   NAG  44           H4       NAG  44  -6.398   9.859  -2.535
  292    H5   NAG  44           H5       NAG  44  -6.595   7.884  -0.616
  293    H61  NAG  44           H61      NAG  44  -5.874   9.727   1.025
  294    H62  NAG  44           H62      NAG  44  -6.047  10.861  -0.333
  295    H81  NAG  44           H81      NAG  44 -12.143   7.695  -4.671
  296    H82  NAG  44           H82      NAG  44 -11.284   8.636  -5.923
  297    H83  NAG  44           H83      NAG  44 -10.462   7.278  -5.105
  298    HN2  NAG  44           HN2      NAG  44 -10.250   7.555  -2.643
  299    HO3  NAG  44           HO3      NAG  44  -7.452  11.683  -1.556
  300    HO4  NAG  44           HO4      NAG  44  -7.599   8.322  -3.784
  301    HO6  NAG  44           HO6      NAG  44  -4.079  10.230  -0.830
  302    H1   NAG  45           H1       NAG  45  11.328 -10.020  -4.445
  303    H2   NAG  45           H2       NAG  45  13.638 -11.713  -5.501
  304    H3   NAG  45           H3       NAG  45  10.639 -11.828  -6.063
  305    H4   NAG  45           H4       NAG  45  12.467 -13.793  -4.596
  306    H5   NAG  45           H5       NAG  45  10.214 -12.016  -3.548
  307    H61  NAG  45           H61      NAG  45  10.137 -13.839  -2.120
  308    H62  NAG  45           H62      NAG  45  11.338 -12.801  -1.321
  309    H81  NAG  45           H81      NAG  45  12.767  -8.857  -8.803
  310    H82  NAG  45           H82      NAG  45  14.366  -8.239  -8.304
  311    H83  NAG  45           H83      NAG  45  14.254  -9.588  -9.467
  312    HN2  NAG  45           HN2      NAG  45  11.908  -9.786  -6.975
  313    HO3  NAG  45           HO3      NAG  45  11.392 -13.784  -7.172
  314    HO4  NAG  45           HO4      NAG  45  10.868 -15.022  -5.353
  315    HO6  NAG  45           HO6      NAG  45  12.513 -14.587  -1.447
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  -8.816 -17.099  -4.348
    2    H2   LYS   1           HT2      LYS   1  -7.400 -18.067  -4.414
    3    H3   LYS   1           HT3      LYS   1  -7.765 -16.989  -5.698
    4    HA   LYS   1           HA       LYS   1  -6.803 -16.423  -2.998
    5    HB2  LYS   1           HB2      LYS   1  -5.205 -16.726  -4.831
    6    HB3  LYS   1           HB1      LYS   1  -6.051 -15.517  -5.786
    7    HG2  LYS   1           HG2      LYS   1  -5.372 -14.368  -3.273
    8    HG3  LYS   1           HG1      LYS   1  -3.939 -15.143  -3.952
    9    HD2  LYS   1           HD2      LYS   1  -4.586 -13.945  -6.136
   10    HD3  LYS   1           HD1      LYS   1  -5.627 -12.952  -5.117
   11    HE2  LYS   1           HE2      LYS   1  -2.635 -13.234  -5.006
   12    HE3  LYS   1           HE1      LYS   1  -3.581 -11.781  -5.327
   13    HZ1  LYS   1           HZ1      LYS   1  -3.147 -11.417  -3.159
   14    HZ2  LYS   1           HZ2      LYS   1  -2.935 -13.054  -2.792
   15    HZ3  LYS   1           HZ3      LYS   1  -4.494 -12.412  -2.923
   16    HA   PRO   2           HA       PRO   2 -10.396 -13.518  -3.105
   17    HB2  PRO   2           HB2      PRO   2  -9.013 -13.005  -0.500
   18    HB3  PRO   2           HB1      PRO   2 -10.743 -13.108  -0.852
   19    HG2  PRO   2           HG2      PRO   2  -9.464 -15.145   0.293
   20    HG3  PRO   2           HG1      PRO   2 -10.728 -15.424  -0.919
   21    HD2  PRO   2           HD2      PRO   2  -7.782 -15.712  -1.157
   22    HD3  PRO   2           HD1      PRO   2  -9.076 -16.574  -2.012
   23    H    ALA   3           HN       ALA   3 -10.493 -11.207  -3.049
   24    HA   ALA   3           HA       ALA   3  -7.880  -9.881  -3.359
   25    HB1  ALA   3           HB1      ALA   3 -10.092 -10.070  -5.226
   26    HB2  ALA   3           HB2      ALA   3  -8.433  -9.534  -5.490
   27    HB3  ALA   3           HB3      ALA   3  -9.642  -8.398  -4.890
   28    H    TRP   4           HN       TRP   4  -7.976  -9.181  -1.187
   29    HA   TRP   4           HA       TRP   4 -10.192  -7.512  -0.350
   30    HB2  TRP   4           HB2      TRP   4  -7.885  -7.435   1.419
   31    HB3  TRP   4           HB1      TRP   4  -9.534  -7.934   1.754
   32    HD1  TRP   4           HD1      TRP   4  -9.994 -10.495   1.965
   33    HE1  TRP   4           HE1      TRP   4  -8.508 -12.594   1.845
   34    HE3  TRP   4           HE3      TRP   4  -5.734  -8.359   0.136
   35    HZ2  TRP   4           HZ2      TRP   4  -5.872 -13.253   1.075
   36    HZ3  TRP   4           HZ3      TRP   4  -3.770  -9.791  -0.265
   37    HH2  TRP   4           HH2      TRP   4  -3.841 -12.188   0.196
   38    H    CYS   5           HN       CYS   5  -6.841  -7.164  -1.332
   39    HA   CYS   5           HA       CYS   5  -6.581  -4.419  -0.675
   40    HB2  CYS   5           HB2      CYS   5  -5.094  -6.134  -2.674
   41    HB3  CYS   5           HB1      CYS   5  -4.633  -4.489  -2.249
   42    H    TRP   6           HN       TRP   6  -7.238  -6.074  -3.756
   43    HA   TRP   6           HA       TRP   6  -7.572  -3.739  -5.287
   44    HB2  TRP   6           HB2      TRP   6  -7.815  -6.574  -5.681
   45    HB3  TRP   6           HB1      TRP   6  -9.207  -5.765  -6.395
   46    HD1  TRP   6           HD1      TRP   6  -5.860  -6.827  -7.296
   47    HE1  TRP   6           HE1      TRP   6  -4.989  -5.566  -9.362
   48    HE3  TRP   6           HE3      TRP   6  -9.275  -3.024  -7.425
   49    HZ2  TRP   6           HZ2      TRP   6  -5.661  -3.263 -10.852
   50    HZ3  TRP   6           HZ3      TRP   6  -9.091  -1.333  -9.203
   51    HH2  TRP   6           HH2      TRP   6  -7.320  -1.452 -10.880
   52    H    TYR   7           HN       TYR   7  -9.726  -5.492  -3.182
   53    HA   TYR   7           HA       TYR   7 -12.157  -4.382  -4.128
   54    HB2  TYR   7           HB2      TYR   7 -12.237  -6.387  -2.804
   55    HB3  TYR   7           HB1      TYR   7 -11.396  -5.604  -1.470
   56    HD1  TYR   7           HD1      TYR   7 -12.586  -3.635  -0.331
   57    HD2  TYR   7           HD2      TYR   7 -14.573  -6.413  -2.865
   58    HE1  TYR   7           HE1      TYR   7 -14.743  -2.993   0.666
   59    HE2  TYR   7           HE2      TYR   7 -16.734  -5.780  -1.878
   60    HH   TYR   7           HH       TYR   7 -17.041  -3.076   0.295
   61    H    THR   8           HN       THR   8  -9.939  -3.490  -1.510
   62    HA   THR   8           HA       THR   8 -11.431  -1.340  -0.497
   63    HB   THR   8           HB       THR   8  -8.474  -1.955  -0.458
   64    HG1  THR   8           HG1      THR   8  -9.842  -3.293   0.775
   65   HG21  THR   8          HG21      THR   8  -9.224  -0.190   1.650
   66   HG22  THR   8          HG22      THR   8  -9.579   0.569   0.100
   67   HG23  THR   8          HG23      THR   8  -7.949  -0.011   0.445
   68    H    LEU   9           HN       LEU   9  -8.928  -1.478  -3.008
   69    HA   LEU   9           HA       LEU   9  -8.954   1.332  -3.504
   70    HB2  LEU   9           HB2      LEU   9  -7.794  -1.058  -4.879
   71    HB3  LEU   9           HB1      LEU   9  -7.825   0.487  -5.707
   72    HG   LEU   9           HG       LEU   9  -6.466   1.500  -3.985
   73   HD11  LEU   9          HD11      LEU   9  -6.741  -1.158  -2.609
   74   HD12  LEU   9          HD12      LEU   9  -7.223   0.430  -2.011
   75   HD13  LEU   9          HD13      LEU   9  -5.513   0.033  -2.182
   76   HD21  LEU   9          HD21      LEU   9  -4.449   0.537  -4.565
   77   HD22  LEU   9          HD22      LEU   9  -5.505  -0.019  -5.862
   78   HD23  LEU   9          HD23      LEU   9  -5.100  -1.100  -4.530
   79    H    ALA  10           HN       ALA  10 -10.580  -1.458  -4.899
   80    HA   ALA  10           HA       ALA  10 -11.670  -0.130  -7.149
   81    HB1  ALA  10           HB1      ALA  10 -11.769  -2.384  -7.452
   82    HB2  ALA  10           HB2      ALA  10 -13.406  -2.113  -6.854
   83    HB3  ALA  10           HB3      ALA  10 -12.155  -2.708  -5.762
   84    H    MET  11           HN       MET  11 -12.612  -0.306  -3.808
   85    HA   MET  11           HA       MET  11 -15.090   1.155  -4.449
   86    HB2  MET  11           HB2      MET  11 -14.437  -0.801  -2.268
   87    HB3  MET  11           HB1      MET  11 -15.723   0.378  -2.049
   88    HG2  MET  11           HG2      MET  11 -15.893  -1.049  -4.583
   89    HG3  MET  11           HG1      MET  11 -15.997  -2.103  -3.171
   90    HE1  MET  11           HE1      MET  11 -18.960  -0.477  -5.406
   91    HE2  MET  11           HE2      MET  11 -17.305   0.126  -5.503
   92    HE3  MET  11           HE3      MET  11 -18.565   1.119  -4.767
   93    H    CYS  12           HN       CYS  12 -12.608   2.474  -4.296
   94    HA   CYS  12           HA       CYS  12 -12.754   3.867  -1.713
   95    HB2  CYS  12           HB2      CYS  12 -10.555   3.102  -3.468
   96    HB3  CYS  12           HB1      CYS  12 -10.489   4.800  -3.011
   97    H    GLY  13           HN       GLY  13 -11.400   5.108  -4.729
   98    HA2  GLY  13           HA2      GLY  13 -11.754   7.120  -5.790
   99    HA3  GLY  13           HA1      GLY  13 -13.445   6.651  -5.700
  100    H    ALA  14           HN       ALA  14 -11.476   7.289  -2.872
  101    HA   ALA  14           HA       ALA  14 -13.223   9.568  -2.260
  102    HB1  ALA  14           HB1      ALA  14 -12.159   7.408  -0.699
  103    HB2  ALA  14           HB2      ALA  14 -13.383   8.601  -0.268
  104    HB3  ALA  14           HB3      ALA  14 -11.675   8.954  -0.004
  105    H    GLY  15           HN       GLY  15 -12.070  11.245  -0.783
  106    HA2  GLY  15           HA2      GLY  15  -9.734  12.166  -2.283
  107    HA3  GLY  15           HA1      GLY  15 -10.723  13.137  -1.202
  108    H    TYR  16           HN       TYR  16  -9.022  13.944  -0.002
  109    HA   TYR  16           HA       TYR  16  -6.822  12.637   0.990
  110    HB2  TYR  16           HB2      TYR  16  -6.776  14.326   2.778
  111    HB3  TYR  16           HB1      TYR  16  -7.147  15.050   1.218
  112    HD1  TYR  16           HD2      TYR  16  -8.507  14.138   4.507
  113    HD2  TYR  16           HD1      TYR  16  -9.297  16.051   0.791
  114    HE1  TYR  16           HE2      TYR  16 -10.529  15.155   5.469
  115    HE2  TYR  16           HE1      TYR  16 -11.321  17.075   1.741
  116    HH   TYR  16           HH       TYR  16 -12.011  17.003   5.108
  117    H    ASP  17           HN       ASP  17  -6.447  11.102   2.457
  118    HA   ASP  17           HA       ASP  17  -6.821   9.458   3.986
  119    HB2  ASP  17           HB2      ASP  17  -7.027  11.584   5.393
  120    HB3  ASP  17           HB1      ASP  17  -8.770  11.351   5.298
  121    H    SER  18           HN       SER  18  -8.021   8.583   1.975
  122    HA   SER  18           HA       SER  18 -10.753   8.515   1.689
  123    HB2  SER  18           HB2      SER  18  -8.640   6.442   1.134
  124    HB3  SER  18           HB1      SER  18 -10.338   6.144   0.766
  125    H    GLY  19           HN       GLY  19  -8.770   6.846   4.033
  126    HA2  GLY  19           HA2      GLY  19  -9.635   6.142   6.133
  127    HA3  GLY  19           HA1      GLY  19 -11.220   5.980   5.394
  128    H    THR  20           HN       THR  20 -10.789   4.399   3.257
  129    HA   THR  20           HA       THR  20 -10.187   1.853   4.524
  130    HB   THR  20           HB       THR  20 -11.017   2.000   1.672
  131    HG1  THR  20           HG1      THR  20 -13.109   2.514   2.203
  132   HG21  THR  20          HG21      THR  20 -11.166  -0.168   2.256
  133   HG22  THR  20          HG22      THR  20 -12.753   0.341   2.827
  134   HG23  THR  20          HG23      THR  20 -11.413   0.190   3.964
  135    H    CYS  21           HN       CYS  21  -9.219   3.621   1.589
  136    HA   CYS  21           HA       CYS  21  -7.252   1.799   0.751
  137    HB2  CYS  21           HB2      CYS  21  -7.824   4.679   0.183
  138    HB3  CYS  21           HB1      CYS  21  -6.309   3.979  -0.377
  139    H    ASP  22           HN       ASP  22  -6.876   4.881   2.502
  140    HA   ASP  22           HA       ASP  22  -4.160   4.868   2.874
  141    HB2  ASP  22           HB2      ASP  22  -6.291   6.360   3.840
  142    HB3  ASP  22           HB1      ASP  22  -5.547   5.706   5.296
  143    H    TYR  23           HN       TYR  23  -6.510   2.803   4.364
  144    HA   TYR  23           HA       TYR  23  -4.584   1.874   6.355
  145    HB2  TYR  23           HB2      TYR  23  -7.209   2.304   6.631
  146    HB3  TYR  23           HB1      TYR  23  -7.269   0.621   6.116
  147    HD1  TYR  23           HD1      TYR  23  -5.027   2.573   8.392
  148    HD2  TYR  23           HD2      TYR  23  -7.578  -0.796   7.899
  149    HE1  TYR  23           HE1      TYR  23  -4.518   1.858  10.689
  150    HE2  TYR  23           HE2      TYR  23  -7.077  -1.520  10.194
  151    HH   TYR  23           HH       TYR  23  -6.292  -0.277  12.386
  152    H    MET  24           HN       MET  24  -6.775   0.363   3.970
  153    HA   MET  24           HA       MET  24  -5.516  -2.156   4.050
  154    HB2  MET  24           HB2      MET  24  -7.677  -0.896   2.617
  155    HB3  MET  24           HB1      MET  24  -6.716  -1.883   1.527
  156    HG2  MET  24           HG2      MET  24  -7.392  -3.142   4.092
  157    HG3  MET  24           HG1      MET  24  -8.756  -2.812   3.025
  158    HE1  MET  24           HE1      MET  24  -7.379  -5.412   4.286
  159    HE2  MET  24           HE2      MET  24  -7.162  -6.635   3.035
  160    HE3  MET  24           HE3      MET  24  -8.749  -5.910   3.293
  161    H    TYR  25           HN       TYR  25  -5.191   0.577   1.814
  162    HA   TYR  25           HA       TYR  25  -3.427  -0.595  -0.005
  163    HB2  TYR  25           HB2      TYR  25  -4.658   1.707  -0.043
  164    HB3  TYR  25           HB1      TYR  25  -3.206   2.302   0.749
  165    HD1  TYR  25           HD2      TYR  25  -1.021   1.004  -0.561
  166    HD2  TYR  25           HD1      TYR  25  -4.678   2.376  -2.243
  167    HE1  TYR  25           HE2      TYR  25   0.077   1.227  -2.748
  168    HE2  TYR  25           HE1      TYR  25  -3.590   2.605  -4.437
  169    HH   TYR  25           HH       TYR  25  -0.704   2.935  -5.033
  170    H    SER  26           HN       SER  26  -2.581   1.671   2.609
  171    HA   SER  26           HA       SER  26   0.169   1.386   2.476
  172    HB2  SER  26           HB2      SER  26  -1.546   2.837   4.029
  173    HB3  SER  26           HB1      SER  26  -0.892   1.700   5.207
  174    HG   SER  26           HG       SER  26   0.727   3.041   5.250
  175    H    HIS  27           HN       HIS  27  -2.203  -0.693   3.992
  176    HA   HIS  27           HA       HIS  27  -0.236  -2.238   5.425
  177    HB2  HIS  27           HB2      HIS  27  -2.659  -1.883   6.137
  178    HB3  HIS  27           HB1      HIS  27  -3.093  -3.042   4.885
  179    HD1  HIS  27           HD1      HIS  27  -1.381  -2.797   8.211
  180    HD2  HIS  27           HD2      HIS  27  -2.545  -5.707   5.484
  181    HE1  HIS  27           HE1      HIS  27  -1.102  -4.991   9.409
  182    HE2  HIS  27           HE2      HIS  27  -1.710  -6.741   7.702
  183    H    CYS  28           HN       CYS  28  -1.857  -2.398   2.341
  184    HA   CYS  28           HA       CYS  28  -1.208  -5.133   1.808
  185    HB2  CYS  28           HB2      CYS  28  -3.069  -3.736   0.730
  186    HB3  CYS  28           HB1      CYS  28  -1.805  -3.045  -0.282
  187    H    PHE  29           HN       PHE  29   0.359  -2.052   1.277
  188    HA   PHE  29           HA       PHE  29   2.600  -3.461  -0.019
  189    HB2  PHE  29           HB2      PHE  29   1.477  -0.710  -0.414
  190    HB3  PHE  29           HB1      PHE  29   3.179  -1.012  -0.750
  191    HD1  PHE  29           HD2      PHE  29   3.835  -2.552  -2.544
  192    HD2  PHE  29           HD1      PHE  29  -0.241  -1.554  -1.835
  193    HE1  PHE  29           HE2      PHE  29   3.240  -3.420  -4.769
  194    HE2  PHE  29           HE1      PHE  29  -0.844  -2.421  -4.057
  195    HZ   PHE  29           HZ       PHE  29   0.897  -3.355  -5.527
  196    H    GLY  30           HN       GLY  30   2.354  -3.484   2.759
  197    HA2  GLY  30           HA2      GLY  30   3.989  -1.377   3.860
  198    HA3  GLY  30           HA1      GLY  30   3.351  -2.761   4.729
  199    H    ILE  31           HN       ILE  31   4.787  -3.987   2.028
  200    HA   ILE  31           HA       ILE  31   6.690  -5.179   1.674
  201    HB   ILE  31           HB       ILE  31   8.111  -3.089   3.311
  202   HG12  ILE  31          HG12      ILE  31   7.229  -2.938   0.419
  203   HG13  ILE  31          HG11      ILE  31   6.640  -1.935   1.741
  204   HG21  ILE  31          HG21      ILE  31   9.216  -4.239   0.818
  205   HG22  ILE  31          HG22      ILE  31   9.131  -5.298   2.226
  206   HG23  ILE  31          HG23      ILE  31  10.027  -3.781   2.314
  207   HD11  ILE  31          HD11      ILE  31   9.513  -1.983   0.873
  208   HD12  ILE  31          HD12      ILE  31   8.718  -0.826   1.940
  209   HD13  ILE  31          HD13      ILE  31   8.316  -0.862   0.223
  210    H    LYS  32           HN       LYS  32   6.000  -6.943   2.979
  211    HA   LYS  32           HA       LYS  32   7.197  -7.052   5.662
  212    HB2  LYS  32           HB2      LYS  32   4.841  -8.405   4.408
  213    HB3  LYS  32           HB1      LYS  32   5.666  -9.184   5.752
  214    HG2  LYS  32           HG2      LYS  32   5.324  -7.087   7.070
  215    HG3  LYS  32           HG1      LYS  32   4.318  -6.496   5.744
  216    HD2  LYS  32           HD2      LYS  32   2.907  -8.547   6.013
  217    HD3  LYS  32           HD1      LYS  32   3.841  -8.927   7.463
  218    HE2  LYS  32           HE2      LYS  32   3.023  -6.229   7.668
  219    HE3  LYS  32           HE1      LYS  32   1.615  -7.164   7.170
  220    HZ1  LYS  32           HZ1      LYS  32   1.483  -7.419   9.408
  221    HZ2  LYS  32           HZ2      LYS  32   3.153  -7.298   9.652
  222    HZ3  LYS  32           HZ3      LYS  32   2.487  -8.739   9.069
  223    H    HIS  33           HN       HIS  33   8.380  -7.626   2.851
  224    HA   HIS  33           HA       HIS  33   9.677 -10.126   3.647
  225    HB2  HIS  33           HB2      HIS  33   9.595 -10.938   1.349
  226    HB3  HIS  33           HB1      HIS  33   7.968 -10.670   1.959
  227    HD1  HIS  33           HD1      HIS  33   9.776 -10.239  -1.001
  228    HD2  HIS  33           HD2      HIS  33   7.197  -7.783   1.139
  229    HE1  HIS  33           HE1      HIS  33   8.972  -8.514  -2.645
  230    HE2  HIS  33           HE2      HIS  33   7.381  -7.061  -1.338
  231    H    HIS  34           HN       HIS  34  10.884  -7.843   4.229
  232    HA   HIS  34           HA       HIS  34  13.109  -7.775   2.346
  233    HB2  HIS  34           HB2      HIS  34  11.356  -5.895   1.900
  234    HB3  HIS  34           HB1      HIS  34  12.036  -5.157   3.346
  235    HD1  HIS  34           HD1      HIS  34  13.359  -6.561   0.060
  236    HD2  HIS  34           HD2      HIS  34  14.092  -3.508   2.781
  237    HE1  HIS  34           HE1      HIS  34  15.242  -5.217  -0.929
  238    HE2  HIS  34           HE2      HIS  34  15.588  -3.311   0.681
  239    H    SER  35           HN       SER  35  12.804  -8.892   4.977
  240    HA   SER  35           HA       SER  35  15.176  -8.139   6.172
  241    HB2  SER  35           HB2      SER  35  13.179  -6.200   6.662
  242    HB3  SER  35           HB1      SER  35  13.394  -7.088   8.171
  243    HG   SER  35           HG       SER  35  15.627  -6.183   6.715
  244    H    SER  36           HN       SER  36  15.385  -8.975   8.453
  245    HA   SER  36           HA       SER  36  13.645 -11.327   8.777
  246    HB2  SER  36           HB2      SER  36  16.564 -10.871   9.263
  247    HB3  SER  36           HB1      SER  36  15.714 -12.069  10.239
  248    HG   SER  36           HG       SER  36  14.954 -12.881   8.100
  249    H    GLY  37           HN       GLY  37  15.870  -9.706  11.022
  250    HA2  GLY  37           HA2      GLY  37  15.244  -8.391  12.895
  251    HA3  GLY  37           HA1      GLY  37  13.604  -9.002  12.742
  252    H    SER  38           HN       SER  38  14.644  -8.957  15.205
  253    HA   SER  38           HA       SER  38  15.355 -11.769  15.734
  254    HB2  SER  38           HB2      SER  38  16.312  -9.223  16.987
  255    HB3  SER  38           HB1      SER  38  16.252 -10.692  17.962
  256    HG   SER  38           HG       SER  38  17.955  -9.999  15.919
  257    H    SER  39           HN       SER  39  14.799 -12.310  18.146
  258    HA   SER  39           HA       SER  39  12.403 -11.038  19.136
  259    HB2  SER  39           HB2      SER  39  11.000 -13.048  19.021
  260    HB3  SER  39           HB1      SER  39  11.491 -12.538  17.406
  261    HG   SER  39           HG       SER  39  12.254 -14.781  18.881
  262    H    SER  40           HN       SER  40  14.531 -13.874  19.334
  263    HA   SER  40           HA       SER  40  14.394 -13.655  22.269
  264    HB2  SER  40           HB2      SER  40  15.116 -16.194  22.057
  265    HB3  SER  40           HB1      SER  40  13.419 -15.724  21.960
  266    HG   SER  40           HG       SER  40  13.933 -17.099  20.249
  267    H    TYR  41           HN       TYR  41  16.203 -12.090  21.090
  268    HA   TYR  41           HA       TYR  41  18.751 -13.538  21.073
  269    HB2  TYR  41           HB2      TYR  41  17.766 -11.474  19.482
  270    HB3  TYR  41           HB1      TYR  41  18.927 -10.684  20.543
  271    HD1  TYR  41           HD2      TYR  41  21.284 -11.668  20.661
  272    HD2  TYR  41           HD1      TYR  41  18.492 -12.691  17.619
  273    HE1  TYR  41           HE2      TYR  41  23.129 -12.468  19.246
  274    HE2  TYR  41           HE1      TYR  41  20.329 -13.495  16.195
  275    HH   TYR  41           HH       TYR  41  23.400 -14.113  17.331
  276    H    HIS  42           HN       HIS  42  17.061 -10.902  22.700
  277    HA   HIS  42           HA       HIS  42  19.287 -10.422  24.492
  278    HB2  HIS  42           HB2      HIS  42  17.778  -8.735  25.514
  279    HB3  HIS  42           HB1      HIS  42  17.984  -8.507  23.781
  280    HD1  HIS  42           HD1      HIS  42  15.437  -8.965  26.360
  281    HD2  HIS  42           HD2      HIS  42  15.685  -9.391  22.234
  282    HE1  HIS  42           HE1      HIS  42  13.058  -9.048  25.549
  283    HE2  HIS  42           HE2      HIS  42  13.234  -9.207  23.041
  284    H    CYS  43           HN       CYS  43  19.312 -12.635  25.326
  285    HA   CYS  43           HA       CYS  43  17.097 -13.453  27.004
  286    HB2  CYS  43           HB2      CYS  43  18.610 -15.407  27.522
  287    HB3  CYS  43           HB1      CYS  43  18.186 -15.219  25.824
  288    H1   NAG  44           H1       NAG  44  -7.395   7.961   0.099
  289    H2   NAG  44           H2       NAG  44  -8.155   5.855  -1.408
  290    H3   NAG  44           H3       NAG  44  -7.629   6.168  -3.740
  291    H4   NAG  44           H4       NAG  44  -7.289   8.604  -4.551
  292    H5   NAG  44           H5       NAG  44  -7.630   9.810  -3.169
  293    H61  NAG  44           H61      NAG  44  -6.581  11.344  -2.054
  294    H62  NAG  44           H62      NAG  44  -6.023  10.882  -3.677
  295    H81  NAG  44           H81      NAG  44  -3.640   4.620  -2.531
  296    H82  NAG  44           H82      NAG  44  -3.534   6.298  -1.931
  297    H83  NAG  44           H83      NAG  44  -3.921   4.969  -0.804
  298    HN2  NAG  44           HN2      NAG  44  -5.668   7.070  -0.823
  299    HO3  NAG  44           HO3      NAG  44  -9.590   6.910  -3.982
  300    HO4  NAG  44           HO4      NAG  44  -5.089   8.304  -4.333
  301    HO6  NAG  44           HO6      NAG  44  -4.391   9.556  -2.496
  302    H1   NAG  45           H1       NAG  45  22.025 -16.617  26.356
  303    H2   NAG  45           H2       NAG  45  20.428 -16.154  28.915
  304    H3   NAG  45           H3       NAG  45  22.758 -18.031  28.306
  305    H4   NAG  45           H4       NAG  45  19.825 -18.628  28.934
  306    H5   NAG  45           H5       NAG  45  21.415 -18.991  26.350
  307    H61  NAG  45           H61      NAG  45  18.657 -19.812  27.247
  308    H62  NAG  45           H62      NAG  45  19.842 -20.702  26.264
  309    H81  NAG  45           H81      NAG  45  24.126 -13.520  28.830
  310    H82  NAG  45           H82      NAG  45  25.135 -14.797  29.560
  311    H83  NAG  45           H83      NAG  45  25.373 -14.340  27.851
  312    HN2  NAG  45           HN2      NAG  45  22.184 -14.713  29.373
  313    HO3  NAG  45           HO3      NAG  45  22.810 -17.434  30.439
  314    HO4  NAG  45           HO4      NAG  45  20.710 -20.793  28.252
  315    HO6  NAG  45           HO6      NAG  45  18.597 -19.990  24.675
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1  -7.393 -18.142   3.828
    2    H2   LYS   1           HT2      LYS   1  -8.593 -17.186   3.058
    3    H3   LYS   1           HT3      LYS   1  -7.873 -16.650   4.522
    4    HA   LYS   1           HA       LYS   1  -5.826 -16.302   3.509
    5    HB2  LYS   1           HB2      LYS   1  -7.110 -17.614   1.104
    6    HB3  LYS   1           HB1      LYS   1  -5.532 -16.838   1.088
    7    HG2  LYS   1           HG2      LYS   1  -4.693 -18.834   1.577
    8    HG3  LYS   1           HG1      LYS   1  -5.356 -18.607   3.197
    9    HD2  LYS   1           HD2      LYS   1  -6.510 -20.484   2.812
   10    HD3  LYS   1           HD1      LYS   1  -7.529 -19.495   1.764
   11    HE2  LYS   1           HE2      LYS   1  -6.972 -21.169   0.310
   12    HE3  LYS   1           HE1      LYS   1  -5.654 -20.041  -0.004
   13    HZ1  LYS   1           HZ1      LYS   1  -5.584 -22.668   1.181
   14    HZ2  LYS   1           HZ2      LYS   1  -4.679 -21.516   2.025
   15    HZ3  LYS   1           HZ3      LYS   1  -4.363 -21.805   0.389
   16    HA   PRO   2           HA       PRO   2  -8.701 -12.705   2.730
   17    HB2  PRO   2           HB2      PRO   2  -6.147 -11.479   3.687
   18    HB3  PRO   2           HB1      PRO   2  -7.817 -11.053   4.083
   19    HG2  PRO   2           HG2      PRO   2  -6.333 -12.427   5.809
   20    HG3  PRO   2           HG1      PRO   2  -8.050 -12.813   5.581
   21    HD2  PRO   2           HD2      PRO   2  -5.634 -14.273   4.627
   22    HD3  PRO   2           HD1      PRO   2  -7.215 -14.906   5.128
   23    H    ALA   3           HN       ALA   3  -8.657 -11.211   1.063
   24    HA   ALA   3           HA       ALA   3  -6.382 -10.464  -0.408
   25    HB1  ALA   3           HB1      ALA   3  -7.995 -12.689  -1.650
   26    HB2  ALA   3           HB2      ALA   3  -6.313 -12.773  -1.130
   27    HB3  ALA   3           HB3      ALA   3  -6.767 -11.736  -2.483
   28    H    TRP   4           HN       TRP   4  -8.471  -9.030   0.594
   29    HA   TRP   4           HA       TRP   4 -10.111  -8.353  -1.747
   30    HB2  TRP   4           HB2      TRP   4 -11.466  -7.078   0.030
   31    HB3  TRP   4           HB1      TRP   4 -11.579  -8.831   0.013
   32    HD1  TRP   4           HD1      TRP   4 -10.256 -10.140   1.990
   33    HE1  TRP   4           HE1      TRP   4  -9.638  -9.385   4.373
   34    HE3  TRP   4           HE3      TRP   4 -10.798  -5.105   1.391
   35    HZ2  TRP   4           HZ2      TRP   4  -9.413  -6.960   5.808
   36    HZ3  TRP   4           HZ3      TRP   4 -10.366  -3.629   3.316
   37    HH2  TRP   4           HH2      TRP   4  -9.689  -4.540   5.479
   38    H    CYS   5           HN       CYS   5  -7.351  -7.526  -1.403
   39    HA   CYS   5           HA       CYS   5  -7.164  -4.868  -0.488
   40    HB2  CYS   5           HB2      CYS   5  -5.267  -6.517  -1.004
   41    HB3  CYS   5           HB1      CYS   5  -5.460  -6.031  -2.685
   42    H    TRP   6           HN       TRP   6  -7.283  -6.082  -3.848
   43    HA   TRP   6           HA       TRP   6  -7.530  -3.653  -5.125
   44    HB2  TRP   6           HB2      TRP   6  -8.238  -4.819  -7.036
   45    HB3  TRP   6           HB1      TRP   6  -7.233  -5.965  -6.157
   46    HD1  TRP   6           HD1      TRP   6  -8.576  -7.907  -4.780
   47    HE1  TRP   6           HE1      TRP   6 -10.820  -9.061  -5.335
   48    HE3  TRP   6           HE3      TRP   6 -10.437  -4.458  -8.018
   49    HZ2  TRP   6           HZ2      TRP   6 -13.092  -8.544  -6.951
   50    HZ3  TRP   6           HZ3      TRP   6 -12.653  -4.843  -9.033
   51    HH2  TRP   6           HH2      TRP   6 -13.951  -6.845  -8.508
   52    H    TYR   7           HN       TYR   7  -9.963  -5.559  -3.496
   53    HA   TYR   7           HA       TYR   7 -12.276  -4.273  -4.385
   54    HB2  TYR   7           HB2      TYR   7 -11.509  -5.934  -2.077
   55    HB3  TYR   7           HB1      TYR   7 -12.859  -4.847  -1.769
   56    HD1  TYR   7           HD2      TYR   7 -14.766  -4.889  -3.570
   57    HD2  TYR   7           HD1      TYR   7 -11.920  -8.005  -3.027
   58    HE1  TYR   7           HE2      TYR   7 -16.291  -6.466  -4.677
   59    HE2  TYR   7           HE1      TYR   7 -13.439  -9.591  -4.132
   60    HH   TYR   7           HH       TYR   7 -16.531  -9.228  -4.497
   61    H    THR   8           HN       THR   8 -10.076  -3.505  -1.729
   62    HA   THR   8           HA       THR   8 -11.449  -1.333  -0.640
   63    HB   THR   8           HB       THR   8  -8.509  -2.007  -0.779
   64    HG1  THR   8           HG1      THR   8 -10.254  -1.988   1.444
   65   HG21  THR   8          HG21      THR   8  -9.656   0.503   0.047
   66   HG22  THR   8          HG22      THR   8  -7.965   0.025  -0.097
   67   HG23  THR   8          HG23      THR   8  -8.855  -0.314   1.389
   68    H    LEU   9           HN       LEU   9  -9.211  -1.543  -3.355
   69    HA   LEU   9           HA       LEU   9  -9.021   1.259  -3.802
   70    HB2  LEU   9           HB2      LEU   9  -8.437  -1.146  -5.510
   71    HB3  LEU   9           HB1      LEU   9  -8.231   0.489  -6.108
   72    HG   LEU   9           HG       LEU   9  -6.566   0.944  -4.393
   73   HD11  LEU   9          HD11      LEU   9  -5.764  -0.886  -2.943
   74   HD12  LEU   9          HD12      LEU   9  -7.104  -1.885  -3.505
   75   HD13  LEU   9          HD13      LEU   9  -7.424  -0.409  -2.592
   76   HD21  LEU   9          HD21      LEU   9  -5.005   0.107  -5.733
   77   HD22  LEU   9          HD22      LEU   9  -6.275  -0.792  -6.561
   78   HD23  LEU   9          HD23      LEU   9  -5.384  -1.541  -5.236
   79    H    ALA  10           HN       ALA  10 -10.950  -1.305  -5.336
   80    HA   ALA  10           HA       ALA  10 -12.242   0.247  -7.249
   81    HB1  ALA  10           HB1      ALA  10 -12.979  -2.276  -5.822
   82    HB2  ALA  10           HB2      ALA  10 -12.535  -2.035  -7.512
   83    HB3  ALA  10           HB3      ALA  10 -14.118  -1.513  -6.932
   84    H    MET  11           HN       MET  11 -12.727   0.060  -3.827
   85    HA   MET  11           HA       MET  11 -15.278   1.471  -3.977
   86    HB2  MET  11           HB2      MET  11 -13.725   0.311  -1.663
   87    HB3  MET  11           HB1      MET  11 -15.215   1.225  -1.466
   88    HG2  MET  11           HG2      MET  11 -15.877  -0.677  -3.348
   89    HG3  MET  11           HG1      MET  11 -14.813  -1.543  -2.239
   90    HE1  MET  11           HE1      MET  11 -18.786  -2.103  -1.730
   91    HE2  MET  11           HE2      MET  11 -17.703  -1.946  -3.114
   92    HE3  MET  11           HE3      MET  11 -18.705  -0.581  -2.619
   93    H    CYS  12           HN       CYS  12 -11.928   2.058  -3.385
   94    HA   CYS  12           HA       CYS  12 -12.062   4.386  -1.841
   95    HB2  CYS  12           HB2      CYS  12 -10.063   2.980  -3.401
   96    HB3  CYS  12           HB1      CYS  12  -9.877   4.724  -3.550
   97    H    GLY  13           HN       GLY  13 -11.070   6.525  -2.891
   98    HA2  GLY  13           HA2      GLY  13 -11.200   7.852  -4.994
   99    HA3  GLY  13           HA1      GLY  13 -12.816   7.189  -5.181
  100    H    ALA  14           HN       ALA  14 -10.996   8.776  -2.553
  101    HA   ALA  14           HA       ALA  14 -13.070  10.836  -2.428
  102    HB1  ALA  14           HB1      ALA  14 -13.920   9.376  -0.806
  103    HB2  ALA  14           HB2      ALA  14 -13.026  10.586   0.114
  104    HB3  ALA  14           HB3      ALA  14 -12.317   8.998  -0.177
  105    H    GLY  15           HN       GLY  15 -10.399  10.960  -3.406
  106    HA2  GLY  15           HA2      GLY  15  -8.451  12.166  -3.191
  107    HA3  GLY  15           HA1      GLY  15  -9.478  13.322  -2.356
  108    H    TYR  16           HN       TYR  16  -8.256  13.982  -0.690
  109    HA   TYR  16           HA       TYR  16  -6.353  12.505   0.690
  110    HB2  TYR  16           HB2      TYR  16  -6.811  15.035   0.752
  111    HB3  TYR  16           HB1      TYR  16  -7.996  14.663   2.000
  112    HD1  TYR  16           HD1      TYR  16  -4.475  13.638   1.243
  113    HD2  TYR  16           HD2      TYR  16  -7.249  15.063   4.137
  114    HE1  TYR  16           HE1      TYR  16  -2.690  13.659   2.934
  115    HE2  TYR  16           HE2      TYR  16  -5.471  15.090   5.836
  116    HH   TYR  16           HH       TYR  16  -2.126  14.503   5.007
  117    H    ASP  17           HN       ASP  17  -6.358  11.463   2.711
  118    HA   ASP  17           HA       ASP  17  -7.148   9.910   4.180
  119    HB2  ASP  17           HB2      ASP  17  -8.129  12.222   4.955
  120    HB3  ASP  17           HB1      ASP  17  -9.665  11.509   4.469
  121    H    SER  18           HN       SER  18  -7.413   8.580   2.136
  122    HA   SER  18           HA       SER  18  -9.791   8.146   0.818
  123    HB2  SER  18           HB2      SER  18  -8.081   5.799   1.560
  124    HB3  SER  18           HB1      SER  18  -8.861   6.170   0.023
  125    H    GLY  19           HN       GLY  19  -8.670   6.632   3.832
  126    HA2  GLY  19           HA2      GLY  19 -10.206   6.218   5.633
  127    HA3  GLY  19           HA1      GLY  19 -11.482   6.010   4.444
  128    H    THR  20           HN       THR  20 -10.305   4.245   2.684
  129    HA   THR  20           HA       THR  20 -10.101   1.843   4.365
  130    HB   THR  20           HB       THR  20 -10.593   1.675   1.426
  131    HG1  THR  20           HG1      THR  20 -12.520   2.508   1.537
  132   HG21  THR  20          HG21      THR  20 -11.438  -0.347   1.858
  133   HG22  THR  20          HG22      THR  20 -12.280   0.201   3.307
  134   HG23  THR  20          HG23      THR  20 -10.564  -0.198   3.383
  135    H    CYS  21           HN       CYS  21  -8.909   2.919   1.172
  136    HA   CYS  21           HA       CYS  21  -6.771   1.122   1.051
  137    HB2  CYS  21           HB2      CYS  21  -6.822   3.861  -0.221
  138    HB3  CYS  21           HB1      CYS  21  -5.937   2.444  -0.772
  139    H    ASP  22           HN       ASP  22  -6.947   4.402   2.359
  140    HA   ASP  22           HA       ASP  22  -4.206   4.737   2.826
  141    HB2  ASP  22           HB2      ASP  22  -6.383   6.323   3.142
  142    HB3  ASP  22           HB1      ASP  22  -6.043   5.920   4.822
  143    H    TYR  23           HN       TYR  23  -6.463   2.667   4.331
  144    HA   TYR  23           HA       TYR  23  -4.686   2.291   6.644
  145    HB2  TYR  23           HB2      TYR  23  -7.372   2.750   6.640
  146    HB3  TYR  23           HB1      TYR  23  -7.332   0.993   6.679
  147    HD1  TYR  23           HD1      TYR  23  -5.852   3.960   8.399
  148    HD2  TYR  23           HD2      TYR  23  -7.119  -0.089   8.717
  149    HE1  TYR  23           HE1      TYR  23  -5.435   4.026  10.821
  150    HE2  TYR  23           HE2      TYR  23  -6.705  -0.035  11.140
  151    HH   TYR  23           HH       TYR  23  -6.222   2.815  12.860
  152    H    MET  24           HN       MET  24  -6.281   0.693   3.965
  153    HA   MET  24           HA       MET  24  -5.220  -1.893   4.743
  154    HB2  MET  24           HB2      MET  24  -7.303  -2.356   3.984
  155    HB3  MET  24           HB1      MET  24  -7.402  -0.874   3.057
  156    HG2  MET  24           HG2      MET  24  -6.985  -1.936   1.161
  157    HG3  MET  24           HG1      MET  24  -5.600  -2.773   1.840
  158    HE1  MET  24           HE1      MET  24  -5.481  -5.118   2.445
  159    HE2  MET  24           HE2      MET  24  -6.836  -6.150   2.901
  160    HE3  MET  24           HE3      MET  24  -6.377  -4.793   3.929
  161    H    TYR  25           HN       TYR  25  -5.110   0.348   1.978
  162    HA   TYR  25           HA       TYR  25  -3.273  -1.031   0.414
  163    HB2  TYR  25           HB2      TYR  25  -4.633   1.311   0.161
  164    HB3  TYR  25           HB1      TYR  25  -3.001   1.907   0.415
  165    HD1  TYR  25           HD1      TYR  25  -4.087  -1.168  -1.373
  166    HD2  TYR  25           HD2      TYR  25  -2.365   2.709  -1.686
  167    HE1  TYR  25           HE1      TYR  25  -3.570  -1.595  -3.739
  168    HE2  TYR  25           HE2      TYR  25  -1.842   2.293  -4.052
  169    HH   TYR  25           HH       TYR  25  -3.201  -0.034  -5.854
  170    H    SER  26           HN       SER  26  -2.713   1.386   2.946
  171    HA   SER  26           HA       SER  26   0.009   1.713   2.736
  172    HB2  SER  26           HB2      SER  26  -1.984   2.301   4.665
  173    HB3  SER  26           HB1      SER  26  -0.651   1.526   5.522
  174    HG   SER  26           HG       SER  26   0.446   3.290   5.285
  175    H    HIS  27           HN       HIS  27  -1.716  -0.811   4.554
  176    HA   HIS  27           HA       HIS  27   0.763  -2.138   5.235
  177    HB2  HIS  27           HB2      HIS  27  -1.681  -2.039   6.449
  178    HB3  HIS  27           HB1      HIS  27  -1.758  -3.605   5.646
  179    HD1  HIS  27           HD1      HIS  27   0.770  -1.762   7.828
  180    HD2  HIS  27           HD2      HIS  27  -0.780  -5.569   7.213
  181    HE1  HIS  27           HE1      HIS  27   1.883  -3.227   9.543
  182    HE2  HIS  27           HE2      HIS  27   0.956  -5.533   9.129
  183    H    CYS  28           HN       CYS  28  -1.765  -2.404   2.859
  184    HA   CYS  28           HA       CYS  28  -1.247  -5.047   1.998
  185    HB2  CYS  28           HB2      CYS  28  -3.277  -3.554   1.477
  186    HB3  CYS  28           HB1      CYS  28  -2.278  -2.851   0.211
  187    H    PHE  29           HN       PHE  29   0.093  -1.918   1.115
  188    HA   PHE  29           HA       PHE  29   1.905  -3.230  -0.784
  189    HB2  PHE  29           HB2      PHE  29   0.722  -0.535  -0.591
  190    HB3  PHE  29           HB1      PHE  29   2.411  -0.575  -1.088
  191    HD1  PHE  29           HD1      PHE  29  -0.034  -3.217  -1.861
  192    HD2  PHE  29           HD2      PHE  29   2.088   0.173  -3.317
  193    HE1  PHE  29           HE1      PHE  29  -0.722  -3.778  -4.155
  194    HE2  PHE  29           HE2      PHE  29   1.402  -0.381  -5.615
  195    HZ   PHE  29           HZ       PHE  29  -0.005  -2.358  -6.036
  196    H    GLY  30           HN       GLY  30   1.775  -1.688   2.288
  197    HA2  GLY  30           HA2      GLY  30   3.377  -1.344   3.895
  198    HA3  GLY  30           HA1      GLY  30   4.388  -2.462   2.991
  199    H    ILE  31           HN       ILE  31   4.478   0.452   4.286
  200    HA   ILE  31           HA       ILE  31   5.424   2.099   2.165
  201    HB   ILE  31           HB       ILE  31   6.123   2.482   5.065
  202   HG12  ILE  31          HG12      ILE  31   3.810   3.981   4.432
  203   HG13  ILE  31          HG11      ILE  31   3.495   2.329   3.907
  204   HG21  ILE  31          HG21      ILE  31   5.360   4.702   3.264
  205   HG22  ILE  31          HG22      ILE  31   6.900   3.904   2.945
  206   HG23  ILE  31          HG23      ILE  31   6.594   4.631   4.522
  207   HD11  ILE  31          HD11      ILE  31   2.831   2.045   6.022
  208   HD12  ILE  31          HD12      ILE  31   3.738   3.442   6.604
  209   HD13  ILE  31          HD13      ILE  31   4.556   1.899   6.359
  210    H    LYS  32           HN       LYS  32   6.868   0.299   1.331
  211    HA   LYS  32           HA       LYS  32   9.557   0.983   1.764
  212    HB2  LYS  32           HB2      LYS  32  10.207  -1.387   2.623
  213    HB3  LYS  32           HB1      LYS  32   9.670  -0.169   3.772
  214    HG2  LYS  32           HG2      LYS  32   7.562  -1.170   4.017
  215    HG3  LYS  32           HG1      LYS  32   7.777  -2.165   2.575
  216    HD2  LYS  32           HD2      LYS  32   8.127  -3.653   4.340
  217    HD3  LYS  32           HD1      LYS  32   9.758  -3.207   3.836
  218    HE2  LYS  32           HE2      LYS  32   9.460  -1.338   5.656
  219    HE3  LYS  32           HE1      LYS  32   8.247  -2.448   6.294
  220    HZ1  LYS  32           HZ1      LYS  32  10.315  -4.094   5.863
  221    HZ2  LYS  32           HZ2      LYS  32   9.999  -3.338   7.343
  222    HZ3  LYS  32           HZ3      LYS  32  11.131  -2.672   6.278
  223    H    HIS  33           HN       HIS  33   9.780   1.009  -0.416
  224    HA   HIS  33           HA       HIS  33   8.951  -1.258  -2.019
  225    HB2  HIS  33           HB2      HIS  33  10.026   1.473  -2.590
  226    HB3  HIS  33           HB1      HIS  33  10.139   0.234  -3.837
  227    HD1  HIS  33           HD1      HIS  33   8.432   1.320  -5.391
  228    HD2  HIS  33           HD2      HIS  33   6.941   0.529  -1.594
  229    HE1  HIS  33           HE1      HIS  33   5.946   1.666  -5.559
  230    HE2  HIS  33           HE2      HIS  33   5.075   1.255  -3.231
  231    H    HIS  34           HN       HIS  34  10.615  -2.437  -0.474
  232    HA   HIS  34           HA       HIS  34  13.370  -2.240  -1.263
  233    HB2  HIS  34           HB2      HIS  34  11.851  -4.202   0.457
  234    HB3  HIS  34           HB1      HIS  34  13.571  -4.370   0.121
  235    HD1  HIS  34           HD1      HIS  34  14.518  -1.496   0.470
  236    HD2  HIS  34           HD2      HIS  34  11.826  -3.353   3.032
  237    HE1  HIS  34           HE1      HIS  34  14.678  -0.236   2.640
  238    HE2  HIS  34           HE2      HIS  34  12.977  -1.323   4.147
  239    H    SER  35           HN       SER  35  12.847  -2.491  -3.602
  240    HA   SER  35           HA       SER  35  11.940  -4.975  -4.626
  241    HB2  SER  35           HB2      SER  35  13.204  -2.530  -5.770
  242    HB3  SER  35           HB1      SER  35  13.238  -4.003  -6.738
  243    HG   SER  35           HG       SER  35  11.361  -2.623  -7.049
  244    H    SER  36           HN       SER  36  13.157  -6.578  -3.572
  245    HA   SER  36           HA       SER  36  15.603  -7.253  -4.920
  246    HB2  SER  36           HB2      SER  36  15.615  -6.360  -2.053
  247    HB3  SER  36           HB1      SER  36  16.770  -7.572  -2.606
  248    HG   SER  36           HG       SER  36  17.399  -5.257  -2.727
  249    H    GLY  37           HN       GLY  37  15.023  -9.257  -5.479
  250    HA2  GLY  37           HA2      GLY  37  13.881 -10.996  -3.382
  251    HA3  GLY  37           HA1      GLY  37  13.544 -11.169  -5.099
  252    H    SER  38           HN       SER  38  15.944 -11.132  -6.285
  253    HA   SER  38           HA       SER  38  17.869 -12.776  -4.934
  254    HB2  SER  38           HB2      SER  38  17.667 -14.743  -6.364
  255    HB3  SER  38           HB1      SER  38  16.146 -14.459  -5.519
  256    HG   SER  38           HG       SER  38  15.274 -13.637  -7.389
  257    H    SER  39           HN       SER  39  16.956 -12.694  -8.362
  258    HA   SER  39           HA       SER  39  18.830 -10.710  -9.110
  259    HB2  SER  39           HB2      SER  39  20.212 -12.535 -10.474
  260    HB3  SER  39           HB1      SER  39  20.659 -12.071  -8.832
  261    HG   SER  39           HG       SER  39  20.303 -14.449  -9.528
  262    H    SER  40           HN       SER  40  16.376 -10.647  -9.850
  263    HA   SER  40           HA       SER  40  16.427 -10.956 -12.682
  264    HB2  SER  40           HB2      SER  40  15.886 -13.275 -12.113
  265    HB3  SER  40           HB1      SER  40  14.531 -12.731 -11.125
  266    HG   SER  40           HG       SER  40  14.747 -12.115 -13.877
  267    H    TYR  41           HN       TYR  41  15.987  -8.739 -12.570
  268    HA   TYR  41           HA       TYR  41  13.174  -8.120 -12.011
  269    HB2  TYR  41           HB2      TYR  41  15.423  -7.157 -10.520
  270    HB3  TYR  41           HB1      TYR  41  14.683  -5.807 -11.374
  271    HD1  TYR  41           HD1      TYR  41  13.368  -8.836  -9.608
  272    HD2  TYR  41           HD2      TYR  41  13.268  -4.602 -10.018
  273    HE1  TYR  41           HE1      TYR  41  11.615  -8.717  -7.889
  274    HE2  TYR  41           HE2      TYR  41  11.515  -4.471  -8.299
  275    HH   TYR  41           HH       TYR  41   9.649  -6.837  -7.389
  276    H    HIS  42           HN       HIS  42  12.661  -5.834 -12.885
  277    HA   HIS  42           HA       HIS  42  14.150  -5.316 -15.362
  278    HB2  HIS  42           HB2      HIS  42  12.036  -5.029 -16.589
  279    HB3  HIS  42           HB1      HIS  42  12.205  -6.669 -15.971
  280    HD1  HIS  42           HD1      HIS  42  10.442  -7.496 -14.356
  281    HD2  HIS  42           HD2      HIS  42  10.083  -3.448 -15.223
  282    HE1  HIS  42           HE1      HIS  42   8.236  -6.793 -13.375
  283    HE2  HIS  42           HE2      HIS  42   8.085  -4.318 -13.830
  284    H    CYS  43           HN       CYS  43  14.327  -3.194 -15.938
  285    HA   CYS  43           HA       CYS  43  13.500  -1.254 -13.933
  286    HB2  CYS  43           HB2      CYS  43  15.775  -1.530 -15.499
  287    HB3  CYS  43           HB1      CYS  43  14.919  -0.184 -16.243
  288    H1   NAG  44           H1       NAG  44  -7.745   7.868  -1.528
  289    H2   NAG  44           H2       NAG  44  -4.812   7.117  -1.252
  290    H3   NAG  44           H3       NAG  44  -6.118   9.203  -3.036
  291    H4   NAG  44           H4       NAG  44  -7.157   7.610  -3.505
  292    H5   NAG  44           H5       NAG  44  -5.628   5.757  -2.798
  293    H61  NAG  44           H61      NAG  44  -6.117   3.814  -3.029
  294    H62  NAG  44           H62      NAG  44  -7.504   4.151  -4.089
  295    H81  NAG  44           H81      NAG  44  -3.472  11.038   0.519
  296    H82  NAG  44           H82      NAG  44  -5.098  10.813   1.221
  297    H83  NAG  44           H83      NAG  44  -3.675  10.080   2.011
  298    HN2  NAG  44           HN2      NAG  44  -5.971   9.796  -0.651
  299    HO3  NAG  44           HO3      NAG  44  -3.750   7.611  -3.291
  300    HO4  NAG  44           HO4      NAG  44  -6.099   8.252  -5.422
  301    HO6  NAG  44           HO6      NAG  44  -4.812   4.127  -4.680
  302    H1   NAG  45           H1       NAG  45  17.882  -0.522 -14.367
  303    H2   NAG  45           H2       NAG  45  17.252   0.258 -11.485
  304    H3   NAG  45           H3       NAG  45  19.848  -0.654 -12.807
  305    H4   NAG  45           H4       NAG  45  18.078  -2.034 -10.729
  306    H5   NAG  45           H5       NAG  45  18.631  -2.751 -13.649
  307    H61  NAG  45           H61      NAG  45  16.360  -4.028 -12.321
  308    H62  NAG  45           H62      NAG  45  17.889  -4.411 -11.498
  309    H81  NAG  45           H81      NAG  45  17.751   4.750 -12.069
  310    H82  NAG  45           H82      NAG  45  19.428   4.137 -12.130
  311    H83  NAG  45           H83      NAG  45  18.386   4.035 -13.578
  312    HN2  NAG  45           HN2      NAG  45  18.970   1.674 -13.466
  313    HO3  NAG  45           HO3      NAG  45  19.262  -0.226 -10.046
  314    HO4  NAG  45           HO4      NAG  45  20.229  -3.213 -12.141
  315    HO6  NAG  45           HO6      NAG  45  17.946  -5.864 -13.093