USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 50 THR OG1 : rot 18:sc= 1.08! USER MOD Set 1.2: A 98 TYR OH : rot -55:sc= -0.596 USER MOD Set 2.1: A 38 ASN : amide:sc= -0.0983 X(o=-0.34,f=-0.03) USER MOD Set 2.2: A 61 ASN : amide:sc= -0.246 K(o=-0.34,f=0.39) USER MOD Set 3.1: A 32 GLN : amide:sc= -4.99! C(o=-22!,f=-32!) USER MOD Set 3.2: A 41 GLN : amide:sc= -16.6! C(o=-22!,f=-22!) USER MOD Set 4.1: A 14 THR OG1 : rot 94:sc= 0.058 USER MOD Set 4.2: A 22 GLN : amide:sc= -3.56! C(o=-3.5!,f=-4.7!) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.51 (180deg=-2.38!) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.4 (180deg=-0.4) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 8 SER OG : rot 140:sc= -9.37! USER MOD Single : A 13 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -136:sc= -8.51! (180deg=-16.3!) USER MOD Single : A 42 TYR OH : rot -176:sc= -0.868! USER MOD Single : A 43 ASN : amide:sc= -10.5! C(o=-11!,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -74:sc= -0.0583 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 85:sc= 0.955 USER MOD Single : A 87 ASN : amide:sc= -0.829 X(o=-0.83,f=-1.3) USER MOD Single : A 89 ASN : amide:sc= -3.01! C(o=-3!,f=-6!) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00471 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 177:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.2) USER MOD Single : A 100 MET CE :methyl -145:sc= -0.176 (180deg=-1.82!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.445 X(o=-0.45,f=-0.82) USER MOD Single : A 109 MET CE :methyl 180:sc= -0.0337 (180deg=-0.0337) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.231 USER MOD Single : A 118 TYR OH : rot -141:sc= -2.65! USER MOD Single : A 123 LYS NZ :NH3+ 135:sc= -1.05 (180deg=-3.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.896 5.224 10.736 1.00 0.00 N ATOM 2 CA MET A 1 18.683 4.226 11.823 1.00 0.00 C ATOM 3 C MET A 1 17.183 4.003 12.025 1.00 0.00 C ATOM 4 O MET A 1 16.763 2.987 12.542 1.00 0.00 O ATOM 5 CB MET A 1 19.301 4.746 13.123 1.00 0.00 C ATOM 6 CG MET A 1 18.629 6.062 13.517 1.00 0.00 C ATOM 7 SD MET A 1 19.021 6.446 15.242 1.00 0.00 S ATOM 8 CE MET A 1 18.242 4.989 15.983 1.00 0.00 C ATOM 0 H1 MET A 1 19.916 5.376 10.599 1.00 0.00 H new ATOM 0 H2 MET A 1 18.477 4.870 9.853 1.00 0.00 H new ATOM 0 H3 MET A 1 18.444 6.124 10.997 1.00 0.00 H new ATOM 0 HA MET A 1 19.156 3.284 11.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.176 4.010 13.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.373 4.897 12.994 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.972 6.867 12.867 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.550 5.985 13.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.793 5.263 16.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.470 4.609 15.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.994 4.217 16.144 1.00 0.00 H new ATOM 20 N GLU A 2 16.372 4.944 11.624 1.00 0.00 N ATOM 21 CA GLU A 2 14.900 4.782 11.799 1.00 0.00 C ATOM 22 C GLU A 2 14.175 5.966 11.157 1.00 0.00 C ATOM 23 O GLU A 2 13.271 6.541 11.733 1.00 0.00 O ATOM 24 CB GLU A 2 14.569 4.727 13.290 1.00 0.00 C ATOM 25 CG GLU A 2 13.308 3.890 13.499 1.00 0.00 C ATOM 26 CD GLU A 2 13.286 3.352 14.930 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.848 2.292 15.152 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.711 4.011 15.780 1.00 0.00 O ATOM 0 H GLU A 2 16.664 5.816 11.184 1.00 0.00 H new ATOM 0 HA GLU A 2 14.576 3.858 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.402 4.294 13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.419 5.734 13.678 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.421 4.496 13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.285 3.064 12.788 1.00 0.00 H new ATOM 35 N HIS A 3 14.563 6.338 9.968 1.00 0.00 N ATOM 36 CA HIS A 3 13.897 7.487 9.292 1.00 0.00 C ATOM 37 C HIS A 3 13.020 6.979 8.145 1.00 0.00 C ATOM 38 O HIS A 3 12.728 7.699 7.211 1.00 0.00 O ATOM 39 CB HIS A 3 14.960 8.436 8.734 1.00 0.00 C ATOM 40 CG HIS A 3 15.915 8.824 9.829 1.00 0.00 C ATOM 41 ND1 HIS A 3 15.487 9.116 11.114 1.00 0.00 N ATOM 42 CD2 HIS A 3 17.279 8.978 9.844 1.00 0.00 C ATOM 43 CE1 HIS A 3 16.575 9.427 11.843 1.00 0.00 C ATOM 44 NE2 HIS A 3 17.694 9.359 11.117 1.00 0.00 N ATOM 0 H HIS A 3 15.312 5.896 9.436 1.00 0.00 H new ATOM 0 HA HIS A 3 13.275 8.015 10.015 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.501 7.954 7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.486 9.325 8.319 1.00 0.00 H new ATOM 0 HD2 HIS A 3 17.931 8.827 8.997 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.547 9.699 12.888 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.647 9.546 11.428 1.00 0.00 H new ATOM 52 N VAL A 4 12.595 5.746 8.200 1.00 0.00 N ATOM 53 CA VAL A 4 11.739 5.213 7.103 1.00 0.00 C ATOM 54 C VAL A 4 10.519 4.491 7.703 1.00 0.00 C ATOM 55 O VAL A 4 10.311 4.488 8.901 1.00 0.00 O ATOM 56 CB VAL A 4 12.586 4.268 6.212 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.472 2.803 6.662 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.112 4.380 4.761 1.00 0.00 C ATOM 0 H VAL A 4 12.802 5.089 8.952 1.00 0.00 H new ATOM 0 HA VAL A 4 11.368 6.027 6.480 1.00 0.00 H new ATOM 0 HB VAL A 4 13.629 4.572 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.080 2.174 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.824 2.710 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.431 2.485 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.706 3.717 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.062 4.096 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.231 5.408 4.418 1.00 0.00 H new ATOM 68 N ALA A 5 9.719 3.881 6.873 1.00 0.00 N ATOM 69 CA ALA A 5 8.517 3.154 7.373 1.00 0.00 C ATOM 70 C ALA A 5 8.950 2.061 8.348 1.00 0.00 C ATOM 71 O ALA A 5 10.044 2.085 8.873 1.00 0.00 O ATOM 72 CB ALA A 5 7.808 2.499 6.184 1.00 0.00 C ATOM 0 H ALA A 5 9.847 3.855 5.861 1.00 0.00 H new ATOM 0 HA ALA A 5 7.849 3.853 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.926 1.963 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.506 3.267 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.487 1.799 5.696 1.00 0.00 H new ATOM 78 N PHE A 6 8.083 1.098 8.570 1.00 0.00 N ATOM 79 CA PHE A 6 8.396 -0.062 9.496 1.00 0.00 C ATOM 80 C PHE A 6 9.863 -0.462 9.318 1.00 0.00 C ATOM 81 O PHE A 6 10.580 -0.747 10.256 1.00 0.00 O ATOM 82 CB PHE A 6 7.529 -1.302 9.154 1.00 0.00 C ATOM 83 CG PHE A 6 6.558 -1.025 8.022 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.968 -1.093 6.679 1.00 0.00 C ATOM 85 CD2 PHE A 6 5.239 -0.701 8.322 1.00 0.00 C ATOM 86 CE1 PHE A 6 6.054 -0.837 5.657 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.330 -0.446 7.300 1.00 0.00 C ATOM 88 CZ PHE A 6 4.736 -0.516 5.967 1.00 0.00 C ATOM 0 H PHE A 6 7.156 1.059 8.146 1.00 0.00 H new ATOM 0 HA PHE A 6 8.188 0.257 10.517 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.178 -2.133 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.974 -1.611 10.040 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.991 -1.343 6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.919 -0.647 9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.369 -0.888 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.308 -0.193 7.539 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.027 -0.321 5.176 1.00 0.00 H new ATOM 98 N GLY A 7 10.283 -0.472 8.091 1.00 0.00 N ATOM 99 CA GLY A 7 11.680 -0.834 7.738 1.00 0.00 C ATOM 100 C GLY A 7 11.758 -0.855 6.216 1.00 0.00 C ATOM 101 O GLY A 7 12.378 -1.713 5.619 1.00 0.00 O ATOM 0 H GLY A 7 9.697 -0.236 7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.383 -0.111 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.944 -1.807 8.152 1.00 0.00 H new ATOM 105 N SER A 8 11.095 0.080 5.584 1.00 0.00 N ATOM 106 CA SER A 8 11.085 0.115 4.101 1.00 0.00 C ATOM 107 C SER A 8 12.470 0.457 3.562 1.00 0.00 C ATOM 108 O SER A 8 13.388 0.758 4.298 1.00 0.00 O ATOM 109 CB SER A 8 10.081 1.155 3.602 1.00 0.00 C ATOM 110 OG SER A 8 9.902 2.148 4.599 1.00 0.00 O ATOM 0 H SER A 8 10.560 0.821 6.038 1.00 0.00 H new ATOM 0 HA SER A 8 10.795 -0.873 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.440 1.610 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.128 0.677 3.373 1.00 0.00 H new ATOM 0 HG SER A 8 9.846 3.030 4.176 1.00 0.00 H new ATOM 116 N GLU A 9 12.612 0.418 2.270 1.00 0.00 N ATOM 117 CA GLU A 9 13.916 0.743 1.638 1.00 0.00 C ATOM 118 C GLU A 9 13.716 1.961 0.740 1.00 0.00 C ATOM 119 O GLU A 9 13.877 1.891 -0.463 1.00 0.00 O ATOM 120 CB GLU A 9 14.361 -0.448 0.789 1.00 0.00 C ATOM 121 CG GLU A 9 15.551 -1.141 1.457 1.00 0.00 C ATOM 122 CD GLU A 9 15.391 -2.659 1.340 1.00 0.00 C ATOM 123 OE1 GLU A 9 14.584 -3.091 0.531 1.00 0.00 O ATOM 124 OE2 GLU A 9 16.079 -3.364 2.059 1.00 0.00 O ATOM 0 H GLU A 9 11.869 0.171 1.616 1.00 0.00 H new ATOM 0 HA GLU A 9 14.672 0.954 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.537 -1.152 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.638 -0.112 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.481 -0.825 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.612 -0.851 2.506 1.00 0.00 H new ATOM 131 N ASP A 10 13.327 3.076 1.302 1.00 0.00 N ATOM 132 CA ASP A 10 13.078 4.275 0.455 1.00 0.00 C ATOM 133 C ASP A 10 12.037 3.882 -0.594 1.00 0.00 C ATOM 134 O ASP A 10 12.341 3.729 -1.760 1.00 0.00 O ATOM 135 CB ASP A 10 14.375 4.704 -0.236 1.00 0.00 C ATOM 136 CG ASP A 10 15.406 5.113 0.817 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.571 4.374 1.773 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.012 6.158 0.649 1.00 0.00 O ATOM 0 H ASP A 10 13.173 3.206 2.302 1.00 0.00 H new ATOM 0 HA ASP A 10 12.722 5.108 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.764 3.886 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.181 5.537 -0.912 1.00 0.00 H new ATOM 143 N ILE A 11 10.817 3.686 -0.177 1.00 0.00 N ATOM 144 CA ILE A 11 9.769 3.268 -1.127 1.00 0.00 C ATOM 145 C ILE A 11 9.443 4.401 -2.085 1.00 0.00 C ATOM 146 O ILE A 11 9.657 4.287 -3.261 1.00 0.00 O ATOM 147 CB ILE A 11 8.481 2.885 -0.419 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.700 2.283 0.982 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.772 1.861 -1.289 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.806 3.383 2.036 1.00 0.00 C ATOM 0 H ILE A 11 10.507 3.800 0.788 1.00 0.00 H new ATOM 0 HA ILE A 11 10.161 2.403 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 11 7.896 3.793 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.874 1.615 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.609 1.681 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.839 1.561 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.556 2.299 -2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.411 0.987 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.960 2.933 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.647 4.034 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.886 3.968 2.046 1.00 0.00 H new ATOM 162 N GLU A 12 8.883 5.474 -1.585 1.00 0.00 N ATOM 163 CA GLU A 12 8.478 6.621 -2.462 1.00 0.00 C ATOM 164 C GLU A 12 9.474 6.846 -3.613 1.00 0.00 C ATOM 165 O GLU A 12 9.091 7.221 -4.704 1.00 0.00 O ATOM 166 CB GLU A 12 8.374 7.897 -1.624 1.00 0.00 C ATOM 167 CG GLU A 12 9.676 8.110 -0.846 1.00 0.00 C ATOM 168 CD GLU A 12 9.530 9.327 0.071 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.471 9.481 0.655 1.00 0.00 O ATOM 170 OE2 GLU A 12 10.481 10.085 0.171 1.00 0.00 O ATOM 0 H GLU A 12 8.686 5.608 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 12 7.510 6.376 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.181 8.753 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.534 7.823 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.909 7.223 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.505 8.260 -1.538 1.00 0.00 H new ATOM 177 N ASN A 13 10.737 6.605 -3.396 1.00 0.00 N ATOM 178 CA ASN A 13 11.723 6.794 -4.500 1.00 0.00 C ATOM 179 C ASN A 13 11.715 5.540 -5.378 1.00 0.00 C ATOM 180 O ASN A 13 11.692 5.612 -6.590 1.00 0.00 O ATOM 181 CB ASN A 13 13.122 7.001 -3.916 1.00 0.00 C ATOM 182 CG ASN A 13 14.070 7.469 -5.022 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.322 6.748 -5.966 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.608 8.656 -4.947 1.00 0.00 N ATOM 0 H ASN A 13 11.128 6.288 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 13 11.455 7.669 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.088 7.739 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.487 6.072 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.239 8.977 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.397 9.262 -4.154 1.00 0.00 H new ATOM 191 N THR A 14 11.720 4.392 -4.760 1.00 0.00 N ATOM 192 CA THR A 14 11.698 3.112 -5.524 1.00 0.00 C ATOM 193 C THR A 14 10.345 2.958 -6.238 1.00 0.00 C ATOM 194 O THR A 14 10.165 2.079 -7.050 1.00 0.00 O ATOM 195 CB THR A 14 11.893 1.954 -4.526 1.00 0.00 C ATOM 196 OG1 THR A 14 13.255 1.904 -4.125 1.00 0.00 O ATOM 197 CG2 THR A 14 11.500 0.613 -5.160 1.00 0.00 C ATOM 0 H THR A 14 11.739 4.284 -3.746 1.00 0.00 H new ATOM 0 HA THR A 14 12.491 3.104 -6.271 1.00 0.00 H new ATOM 0 HB THR A 14 11.253 2.129 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.372 2.420 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.646 -0.189 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.452 0.645 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.122 0.429 -6.036 1.00 0.00 H new ATOM 205 N LEU A 15 9.392 3.787 -5.931 1.00 0.00 N ATOM 206 CA LEU A 15 8.065 3.664 -6.581 1.00 0.00 C ATOM 207 C LEU A 15 7.966 4.653 -7.747 1.00 0.00 C ATOM 208 O LEU A 15 7.152 4.499 -8.636 1.00 0.00 O ATOM 209 CB LEU A 15 6.983 3.951 -5.540 1.00 0.00 C ATOM 210 CG LEU A 15 7.148 2.997 -4.358 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.273 3.466 -3.200 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.732 1.585 -4.772 1.00 0.00 C ATOM 0 H LEU A 15 9.476 4.547 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 15 7.930 2.657 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.055 4.984 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.995 3.830 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 15 8.192 2.988 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.390 2.786 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.573 4.470 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.229 3.478 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.851 0.908 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.689 1.591 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.359 1.248 -5.598 1.00 0.00 H new ATOM 224 N ALA A 16 8.785 5.670 -7.745 1.00 0.00 N ATOM 225 CA ALA A 16 8.736 6.668 -8.849 1.00 0.00 C ATOM 226 C ALA A 16 9.778 6.323 -9.920 1.00 0.00 C ATOM 227 O ALA A 16 9.767 6.877 -11.002 1.00 0.00 O ATOM 228 CB ALA A 16 9.029 8.062 -8.286 1.00 0.00 C ATOM 0 H ALA A 16 9.485 5.852 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 16 7.744 6.652 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.994 8.795 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.282 8.315 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.020 8.070 -7.831 1.00 0.00 H new ATOM 234 N LYS A 17 10.686 5.425 -9.633 1.00 0.00 N ATOM 235 CA LYS A 17 11.724 5.075 -10.646 1.00 0.00 C ATOM 236 C LYS A 17 11.636 3.587 -11.005 1.00 0.00 C ATOM 237 O LYS A 17 12.070 3.171 -12.061 1.00 0.00 O ATOM 238 CB LYS A 17 13.110 5.378 -10.073 1.00 0.00 C ATOM 239 CG LYS A 17 14.014 5.918 -11.182 1.00 0.00 C ATOM 240 CD LYS A 17 14.989 4.825 -11.623 1.00 0.00 C ATOM 241 CE LYS A 17 16.081 5.439 -12.500 1.00 0.00 C ATOM 242 NZ LYS A 17 15.988 4.877 -13.878 1.00 0.00 N ATOM 0 H LYS A 17 10.753 4.923 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 17 11.556 5.666 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.030 6.107 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.543 4.475 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.412 6.246 -12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.564 6.789 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.434 4.347 -10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.457 4.050 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.971 6.523 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.063 5.230 -12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.731 5.295 -14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.113 3.845 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.055 5.099 -14.281 1.00 0.00 H new ATOM 256 N MET A 18 11.087 2.781 -10.137 1.00 0.00 N ATOM 257 CA MET A 18 10.982 1.327 -10.432 1.00 0.00 C ATOM 258 C MET A 18 10.190 1.124 -11.722 1.00 0.00 C ATOM 259 O MET A 18 9.271 1.857 -12.031 1.00 0.00 O ATOM 260 CB MET A 18 10.275 0.618 -9.263 1.00 0.00 C ATOM 261 CG MET A 18 9.898 -0.818 -9.650 1.00 0.00 C ATOM 262 SD MET A 18 8.133 -0.891 -10.049 1.00 0.00 S ATOM 263 CE MET A 18 7.515 -0.309 -8.452 1.00 0.00 C ATOM 0 H MET A 18 10.707 3.069 -9.235 1.00 0.00 H new ATOM 0 HA MET A 18 11.979 0.905 -10.556 1.00 0.00 H new ATOM 0 HB2 MET A 18 10.928 0.606 -8.390 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.379 1.172 -8.983 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.489 -1.143 -10.506 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.125 -1.499 -8.830 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.671 -0.925 -8.142 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.308 -0.379 -7.708 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.193 0.728 -8.543 1.00 0.00 H new ATOM 273 N ASP A 19 10.539 0.119 -12.464 1.00 0.00 N ATOM 274 CA ASP A 19 9.815 -0.168 -13.731 1.00 0.00 C ATOM 275 C ASP A 19 8.757 -1.240 -13.462 1.00 0.00 C ATOM 276 O ASP A 19 7.651 -1.173 -13.959 1.00 0.00 O ATOM 277 CB ASP A 19 10.802 -0.678 -14.783 1.00 0.00 C ATOM 278 CG ASP A 19 10.807 0.267 -15.985 1.00 0.00 C ATOM 279 OD1 ASP A 19 9.731 0.625 -16.436 1.00 0.00 O ATOM 280 OD2 ASP A 19 11.886 0.617 -16.435 1.00 0.00 O ATOM 0 H ASP A 19 11.301 -0.523 -12.248 1.00 0.00 H new ATOM 0 HA ASP A 19 9.339 0.741 -14.099 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.803 -0.744 -14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.524 -1.683 -15.100 1.00 0.00 H new ATOM 285 N ASP A 20 9.092 -2.226 -12.670 1.00 0.00 N ATOM 286 CA ASP A 20 8.112 -3.304 -12.358 1.00 0.00 C ATOM 287 C ASP A 20 8.795 -4.400 -11.539 1.00 0.00 C ATOM 288 O ASP A 20 8.272 -4.860 -10.543 1.00 0.00 O ATOM 289 CB ASP A 20 7.577 -3.908 -13.660 1.00 0.00 C ATOM 290 CG ASP A 20 8.748 -4.220 -14.597 1.00 0.00 C ATOM 291 OD1 ASP A 20 9.276 -5.316 -14.507 1.00 0.00 O ATOM 292 OD2 ASP A 20 9.093 -3.359 -15.389 1.00 0.00 O ATOM 0 H ASP A 20 10.004 -2.329 -12.226 1.00 0.00 H new ATOM 0 HA ASP A 20 7.287 -2.881 -11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.015 -4.817 -13.448 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.888 -3.213 -14.140 1.00 0.00 H new ATOM 297 N GLY A 21 9.954 -4.830 -11.953 1.00 0.00 N ATOM 298 CA GLY A 21 10.662 -5.903 -11.197 1.00 0.00 C ATOM 299 C GLY A 21 11.809 -5.298 -10.385 1.00 0.00 C ATOM 300 O GLY A 21 12.951 -5.686 -10.525 1.00 0.00 O ATOM 0 H GLY A 21 10.442 -4.486 -12.780 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.964 -6.413 -10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.049 -6.652 -11.888 1.00 0.00 H new ATOM 304 N GLN A 22 11.516 -4.353 -9.533 1.00 0.00 N ATOM 305 CA GLN A 22 12.595 -3.733 -8.714 1.00 0.00 C ATOM 306 C GLN A 22 12.160 -3.667 -7.248 1.00 0.00 C ATOM 307 O GLN A 22 12.942 -3.905 -6.349 1.00 0.00 O ATOM 308 CB GLN A 22 12.872 -2.318 -9.224 1.00 0.00 C ATOM 309 CG GLN A 22 14.151 -1.786 -8.580 1.00 0.00 C ATOM 310 CD GLN A 22 13.900 -0.381 -8.030 1.00 0.00 C ATOM 311 OE1 GLN A 22 13.765 -0.197 -6.836 1.00 0.00 O ATOM 312 NE2 GLN A 22 13.832 0.627 -8.857 1.00 0.00 N ATOM 0 H GLN A 22 10.579 -3.985 -9.369 1.00 0.00 H new ATOM 0 HA GLN A 22 13.499 -4.336 -8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.974 -2.325 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.033 -1.664 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.470 -2.451 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.957 -1.762 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.945 0.473 -9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.666 1.568 -8.501 1.00 0.00 H new ATOM 321 N LEU A 23 10.921 -3.341 -6.997 1.00 0.00 N ATOM 322 CA LEU A 23 10.452 -3.257 -5.583 1.00 0.00 C ATOM 323 C LEU A 23 9.864 -4.607 -5.137 1.00 0.00 C ATOM 324 O LEU A 23 9.280 -4.715 -4.077 1.00 0.00 O ATOM 325 CB LEU A 23 9.404 -2.129 -5.457 1.00 0.00 C ATOM 326 CG LEU A 23 7.991 -2.635 -5.793 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.990 -1.491 -5.650 1.00 0.00 C ATOM 328 CD2 LEU A 23 7.958 -3.162 -7.228 1.00 0.00 C ATOM 0 H LEU A 23 10.217 -3.130 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 23 11.295 -3.027 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.417 -1.730 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.667 -1.310 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 23 7.726 -3.439 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.989 -1.851 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.007 -1.118 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.258 -0.685 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.955 -3.519 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.227 -2.361 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.668 -3.982 -7.331 1.00 0.00 H new ATOM 340 N ASP A 24 10.006 -5.632 -5.932 1.00 0.00 N ATOM 341 CA ASP A 24 9.447 -6.956 -5.539 1.00 0.00 C ATOM 342 C ASP A 24 10.280 -7.562 -4.401 1.00 0.00 C ATOM 343 O ASP A 24 9.927 -8.583 -3.847 1.00 0.00 O ATOM 344 CB ASP A 24 9.471 -7.900 -6.745 1.00 0.00 C ATOM 345 CG ASP A 24 10.899 -8.017 -7.288 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.772 -7.343 -6.766 1.00 0.00 O ATOM 347 OD2 ASP A 24 11.095 -8.782 -8.218 1.00 0.00 O ATOM 0 H ASP A 24 10.483 -5.610 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 24 8.420 -6.821 -5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.101 -8.884 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.806 -7.526 -7.524 1.00 0.00 H new ATOM 352 N GLY A 25 11.379 -6.947 -4.045 1.00 0.00 N ATOM 353 CA GLY A 25 12.218 -7.499 -2.945 1.00 0.00 C ATOM 354 C GLY A 25 11.933 -6.727 -1.657 1.00 0.00 C ATOM 355 O GLY A 25 12.797 -6.551 -0.822 1.00 0.00 O ATOM 0 H GLY A 25 11.729 -6.088 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.002 -8.558 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.274 -7.421 -3.203 1.00 0.00 H new ATOM 359 N LEU A 26 10.725 -6.269 -1.491 1.00 0.00 N ATOM 360 CA LEU A 26 10.373 -5.516 -0.271 1.00 0.00 C ATOM 361 C LEU A 26 9.539 -6.413 0.636 1.00 0.00 C ATOM 362 O LEU A 26 8.937 -7.376 0.202 1.00 0.00 O ATOM 363 CB LEU A 26 9.556 -4.279 -0.650 1.00 0.00 C ATOM 364 CG LEU A 26 10.438 -3.288 -1.409 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.563 -2.195 -2.025 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.440 -2.653 -0.441 1.00 0.00 C ATOM 0 H LEU A 26 9.963 -6.389 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 26 11.281 -5.203 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.705 -4.569 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.154 -3.809 0.247 1.00 0.00 H new ATOM 0 HG LEU A 26 10.976 -3.811 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.191 -1.488 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.848 -2.646 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.025 -1.671 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.070 -1.946 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.901 -2.129 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.063 -3.431 -0.000 1.00 0.00 H new ATOM 378 N ALA A 27 9.502 -6.096 1.886 1.00 0.00 N ATOM 379 CA ALA A 27 8.706 -6.913 2.846 1.00 0.00 C ATOM 380 C ALA A 27 7.306 -6.309 2.997 1.00 0.00 C ATOM 381 O ALA A 27 6.567 -6.648 3.904 1.00 0.00 O ATOM 382 CB ALA A 27 9.405 -6.927 4.206 1.00 0.00 C ATOM 0 H ALA A 27 9.990 -5.300 2.297 1.00 0.00 H new ATOM 0 HA ALA A 27 8.622 -7.933 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.823 -7.524 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.400 -7.359 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.491 -5.907 4.581 1.00 0.00 H new ATOM 388 N PHE A 28 6.929 -5.425 2.112 1.00 0.00 N ATOM 389 CA PHE A 28 5.576 -4.815 2.202 1.00 0.00 C ATOM 390 C PHE A 28 5.074 -4.479 0.806 1.00 0.00 C ATOM 391 O PHE A 28 5.841 -4.253 -0.107 1.00 0.00 O ATOM 392 CB PHE A 28 5.630 -3.531 3.026 1.00 0.00 C ATOM 393 CG PHE A 28 6.715 -2.621 2.499 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.043 -2.815 2.893 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.390 -1.573 1.630 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.048 -1.963 2.417 1.00 0.00 C ATOM 397 CE2 PHE A 28 7.392 -0.717 1.159 1.00 0.00 C ATOM 398 CZ PHE A 28 8.724 -0.909 1.551 1.00 0.00 C ATOM 0 H PHE A 28 7.501 -5.101 1.332 1.00 0.00 H new ATOM 0 HA PHE A 28 4.904 -5.527 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.667 -3.023 2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.821 -3.769 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.294 -3.622 3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.365 -1.425 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.074 -2.118 2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.138 0.094 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.497 -0.248 1.188 1.00 0.00 H new ATOM 408 N GLY A 29 3.787 -4.435 0.639 1.00 0.00 N ATOM 409 CA GLY A 29 3.224 -4.106 -0.692 1.00 0.00 C ATOM 410 C GLY A 29 3.267 -2.597 -0.900 1.00 0.00 C ATOM 411 O GLY A 29 2.580 -1.855 -0.227 1.00 0.00 O ATOM 0 H GLY A 29 3.098 -4.613 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.793 -4.608 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.197 -4.465 -0.764 1.00 0.00 H new ATOM 415 N ALA A 30 4.043 -2.129 -1.839 1.00 0.00 N ATOM 416 CA ALA A 30 4.082 -0.664 -2.081 1.00 0.00 C ATOM 417 C ALA A 30 3.033 -0.348 -3.136 1.00 0.00 C ATOM 418 O ALA A 30 3.303 -0.350 -4.319 1.00 0.00 O ATOM 419 CB ALA A 30 5.469 -0.225 -2.562 1.00 0.00 C ATOM 0 H ALA A 30 4.644 -2.692 -2.441 1.00 0.00 H new ATOM 0 HA ALA A 30 3.875 -0.125 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.471 0.852 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.212 -0.474 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.711 -0.740 -3.492 1.00 0.00 H new ATOM 425 N ILE A 31 1.824 -0.112 -2.711 1.00 0.00 N ATOM 426 CA ILE A 31 0.735 0.169 -3.682 1.00 0.00 C ATOM 427 C ILE A 31 0.514 1.680 -3.790 1.00 0.00 C ATOM 428 O ILE A 31 0.702 2.415 -2.842 1.00 0.00 O ATOM 429 CB ILE A 31 -0.556 -0.535 -3.215 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.213 0.243 -2.067 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.220 -1.945 -2.723 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.186 1.273 -2.645 1.00 0.00 C ATOM 0 H ILE A 31 1.544 -0.102 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 31 1.011 -0.210 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.246 -0.581 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.742 -0.442 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.451 0.742 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.132 -2.442 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.231 -2.516 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.481 -1.882 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.654 1.827 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.643 1.964 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.954 0.762 -3.226 1.00 0.00 H new ATOM 444 N GLN A 32 0.110 2.146 -4.933 1.00 0.00 N ATOM 445 CA GLN A 32 -0.132 3.601 -5.095 1.00 0.00 C ATOM 446 C GLN A 32 -1.605 3.812 -5.438 1.00 0.00 C ATOM 447 O GLN A 32 -2.344 2.868 -5.631 1.00 0.00 O ATOM 448 CB GLN A 32 0.744 4.150 -6.222 1.00 0.00 C ATOM 449 CG GLN A 32 1.996 4.803 -5.632 1.00 0.00 C ATOM 450 CD GLN A 32 2.870 5.355 -6.760 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.076 4.700 -7.762 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.397 6.543 -6.637 1.00 0.00 N ATOM 0 H GLN A 32 -0.064 1.581 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 32 0.116 4.125 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.027 3.345 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.184 4.879 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.713 5.606 -4.952 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.557 4.074 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.224 7.093 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.982 6.921 -7.382 1.00 0.00 H new ATOM 461 N LEU A 33 -2.040 5.035 -5.515 1.00 0.00 N ATOM 462 CA LEU A 33 -3.468 5.291 -5.844 1.00 0.00 C ATOM 463 C LEU A 33 -3.595 6.671 -6.488 1.00 0.00 C ATOM 464 O LEU A 33 -2.840 7.574 -6.186 1.00 0.00 O ATOM 465 CB LEU A 33 -4.302 5.275 -4.561 1.00 0.00 C ATOM 466 CG LEU A 33 -4.424 3.843 -4.040 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.231 3.837 -2.741 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.136 2.983 -5.086 1.00 0.00 C ATOM 0 H LEU A 33 -1.471 5.868 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.823 4.520 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.836 5.908 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.292 5.687 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.430 3.439 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.317 2.815 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.726 4.452 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.226 4.240 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.225 1.961 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.130 3.388 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.561 2.986 -6.012 1.00 0.00 H new ATOM 480 N ASP A 34 -4.549 6.853 -7.358 1.00 0.00 N ATOM 481 CA ASP A 34 -4.710 8.193 -7.990 1.00 0.00 C ATOM 482 C ASP A 34 -6.167 8.657 -7.906 1.00 0.00 C ATOM 483 O ASP A 34 -7.060 8.019 -8.419 1.00 0.00 O ATOM 484 CB ASP A 34 -4.265 8.158 -9.453 1.00 0.00 C ATOM 485 CG ASP A 34 -4.954 7.011 -10.198 1.00 0.00 C ATOM 486 OD1 ASP A 34 -5.793 6.361 -9.604 1.00 0.00 O ATOM 487 OD2 ASP A 34 -4.629 6.806 -11.355 1.00 0.00 O ATOM 0 H ASP A 34 -5.217 6.142 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.081 8.898 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.503 9.107 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.183 8.036 -9.507 1.00 0.00 H new ATOM 492 N GLY A 35 -6.360 9.792 -7.270 1.00 0.00 N ATOM 493 CA GLY A 35 -7.698 10.445 -7.091 1.00 0.00 C ATOM 494 C GLY A 35 -8.805 9.453 -6.752 1.00 0.00 C ATOM 495 O GLY A 35 -9.219 9.320 -5.618 1.00 0.00 O ATOM 0 H GLY A 35 -5.597 10.319 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.629 11.189 -6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.962 10.977 -8.005 1.00 0.00 H new ATOM 499 N ASP A 36 -9.294 8.780 -7.739 1.00 0.00 N ATOM 500 CA ASP A 36 -10.399 7.803 -7.523 1.00 0.00 C ATOM 501 C ASP A 36 -9.912 6.624 -6.680 1.00 0.00 C ATOM 502 O ASP A 36 -10.687 5.777 -6.280 1.00 0.00 O ATOM 503 CB ASP A 36 -10.886 7.288 -8.881 1.00 0.00 C ATOM 504 CG ASP A 36 -12.323 7.750 -9.118 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.624 8.885 -8.786 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.102 6.962 -9.631 1.00 0.00 O ATOM 0 H ASP A 36 -8.976 8.860 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.214 8.299 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.238 7.659 -9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.834 6.200 -8.909 1.00 0.00 H new ATOM 511 N GLY A 37 -8.640 6.551 -6.413 1.00 0.00 N ATOM 512 CA GLY A 37 -8.118 5.422 -5.610 1.00 0.00 C ATOM 513 C GLY A 37 -7.736 4.281 -6.547 1.00 0.00 C ATOM 514 O GLY A 37 -7.596 3.148 -6.128 1.00 0.00 O ATOM 0 H GLY A 37 -7.941 7.228 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.251 5.741 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.871 5.087 -4.897 1.00 0.00 H new ATOM 518 N ASN A 38 -7.556 4.561 -7.816 1.00 0.00 N ATOM 519 CA ASN A 38 -7.171 3.459 -8.746 1.00 0.00 C ATOM 520 C ASN A 38 -5.714 3.095 -8.479 1.00 0.00 C ATOM 521 O ASN A 38 -4.875 3.954 -8.301 1.00 0.00 O ATOM 522 CB ASN A 38 -7.337 3.894 -10.200 1.00 0.00 C ATOM 523 CG ASN A 38 -8.690 3.415 -10.728 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.724 3.881 -10.294 1.00 0.00 O ATOM 525 ND2 ASN A 38 -8.724 2.497 -11.655 1.00 0.00 N ATOM 0 H ASN A 38 -7.657 5.484 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.817 2.598 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.270 4.979 -10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.532 3.482 -10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.620 2.170 -12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.855 2.107 -12.018 1.00 0.00 H new ATOM 532 N ILE A 39 -5.412 1.833 -8.426 1.00 0.00 N ATOM 533 CA ILE A 39 -4.011 1.413 -8.135 1.00 0.00 C ATOM 534 C ILE A 39 -3.055 1.913 -9.225 1.00 0.00 C ATOM 535 O ILE A 39 -3.287 1.742 -10.404 1.00 0.00 O ATOM 536 CB ILE A 39 -3.957 -0.140 -8.016 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.302 -0.529 -6.686 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.155 -0.783 -9.162 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.387 -0.781 -5.636 1.00 0.00 C ATOM 0 H ILE A 39 -6.073 1.070 -8.571 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.691 1.855 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.983 -0.505 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.693 -1.423 -6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.635 0.265 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.145 -1.866 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.619 -0.533 -10.116 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.132 -0.407 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.921 -1.058 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.977 0.125 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.036 -1.590 -5.971 1.00 0.00 H new ATOM 551 N LEU A 40 -1.952 2.469 -8.822 1.00 0.00 N ATOM 552 CA LEU A 40 -0.938 2.914 -9.808 1.00 0.00 C ATOM 553 C LEU A 40 0.121 1.813 -9.862 1.00 0.00 C ATOM 554 O LEU A 40 0.710 1.538 -10.889 1.00 0.00 O ATOM 555 CB LEU A 40 -0.297 4.231 -9.358 1.00 0.00 C ATOM 556 CG LEU A 40 -1.361 5.153 -8.752 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.710 6.467 -8.322 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.440 5.439 -9.794 1.00 0.00 C ATOM 0 H LEU A 40 -1.708 2.635 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.390 3.084 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.484 4.032 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.180 4.721 -10.207 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.811 4.668 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.466 7.124 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.061 6.265 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.261 6.951 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.197 6.095 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.990 5.924 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.904 4.503 -10.103 1.00 0.00 H new ATOM 570 N GLN A 41 0.337 1.165 -8.745 1.00 0.00 N ATOM 571 CA GLN A 41 1.326 0.047 -8.684 1.00 0.00 C ATOM 572 C GLN A 41 0.954 -0.876 -7.517 1.00 0.00 C ATOM 573 O GLN A 41 -0.078 -0.723 -6.893 1.00 0.00 O ATOM 574 CB GLN A 41 2.781 0.551 -8.511 1.00 0.00 C ATOM 575 CG GLN A 41 2.859 2.051 -8.179 1.00 0.00 C ATOM 576 CD GLN A 41 3.166 2.214 -6.693 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.034 2.975 -6.319 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.485 1.524 -5.826 1.00 0.00 N ATOM 0 H GLN A 41 -0.135 1.366 -7.863 1.00 0.00 H new ATOM 0 HA GLN A 41 1.287 -0.490 -9.631 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.265 -0.017 -7.717 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.339 0.357 -9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.633 2.530 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.917 2.541 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.756 0.885 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.680 1.622 -4.830 1.00 0.00 H new ATOM 587 N TYR A 42 1.780 -1.843 -7.230 1.00 0.00 N ATOM 588 CA TYR A 42 1.479 -2.798 -6.116 1.00 0.00 C ATOM 589 C TYR A 42 2.782 -3.498 -5.694 1.00 0.00 C ATOM 590 O TYR A 42 3.287 -3.282 -4.608 1.00 0.00 O ATOM 591 CB TYR A 42 0.470 -3.846 -6.627 1.00 0.00 C ATOM 592 CG TYR A 42 -0.553 -4.209 -5.564 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.450 -3.243 -5.084 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.625 -5.526 -5.077 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.414 -3.595 -4.124 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.587 -5.871 -4.115 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.480 -4.909 -3.641 1.00 0.00 C ATOM 598 OH TYR A 42 -3.429 -5.260 -2.702 1.00 0.00 O ATOM 0 H TYR A 42 2.657 -2.017 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 42 1.059 -2.267 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.043 -3.458 -7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.004 -4.743 -6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.400 -2.229 -5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.062 -6.274 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.106 -2.851 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.636 -6.883 -3.741 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.293 -6.192 -2.432 1.00 0.00 H new ATOM 608 N ASN A 43 3.305 -4.329 -6.581 1.00 0.00 N ATOM 609 CA ASN A 43 4.578 -5.114 -6.361 1.00 0.00 C ATOM 610 C ASN A 43 4.226 -6.592 -6.131 1.00 0.00 C ATOM 611 O ASN A 43 3.101 -6.931 -5.824 1.00 0.00 O ATOM 612 CB ASN A 43 5.448 -4.558 -5.204 1.00 0.00 C ATOM 613 CG ASN A 43 5.001 -5.100 -3.840 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.897 -5.571 -3.692 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.825 -5.042 -2.829 1.00 0.00 N ATOM 0 H ASN A 43 2.879 -4.501 -7.491 1.00 0.00 H new ATOM 0 HA ASN A 43 5.188 -5.014 -7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.492 -4.822 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.392 -3.469 -5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.537 -5.394 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.756 -4.645 -2.952 1.00 0.00 H new ATOM 622 N ALA A 44 5.176 -7.471 -6.303 1.00 0.00 N ATOM 623 CA ALA A 44 4.895 -8.926 -6.127 1.00 0.00 C ATOM 624 C ALA A 44 4.968 -9.320 -4.647 1.00 0.00 C ATOM 625 O ALA A 44 4.534 -10.389 -4.265 1.00 0.00 O ATOM 626 CB ALA A 44 5.927 -9.733 -6.917 1.00 0.00 C ATOM 0 H ALA A 44 6.137 -7.244 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 44 3.890 -9.136 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.728 -10.798 -6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.862 -9.472 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.927 -9.505 -6.548 1.00 0.00 H new ATOM 632 N ALA A 45 5.511 -8.482 -3.809 1.00 0.00 N ATOM 633 CA ALA A 45 5.602 -8.841 -2.364 1.00 0.00 C ATOM 634 C ALA A 45 4.201 -9.087 -1.802 1.00 0.00 C ATOM 635 O ALA A 45 3.881 -10.177 -1.367 1.00 0.00 O ATOM 636 CB ALA A 45 6.275 -7.701 -1.595 1.00 0.00 C ATOM 0 H ALA A 45 5.894 -7.570 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 45 6.194 -9.750 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.341 -7.964 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.277 -7.536 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.687 -6.790 -1.706 1.00 0.00 H new ATOM 642 N GLU A 46 3.360 -8.092 -1.809 1.00 0.00 N ATOM 643 CA GLU A 46 1.983 -8.288 -1.282 1.00 0.00 C ATOM 644 C GLU A 46 1.253 -9.261 -2.186 1.00 0.00 C ATOM 645 O GLU A 46 0.546 -10.125 -1.741 1.00 0.00 O ATOM 646 CB GLU A 46 1.243 -6.958 -1.272 1.00 0.00 C ATOM 647 CG GLU A 46 1.139 -6.412 -2.694 1.00 0.00 C ATOM 648 CD GLU A 46 0.811 -4.920 -2.636 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.619 -4.140 -3.108 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.377 -4.548 -2.041 1.00 0.00 O ATOM 0 H GLU A 46 3.566 -7.155 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 46 2.028 -8.679 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.247 -7.089 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.768 -6.245 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.077 -6.570 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.365 -6.946 -3.246 1.00 0.00 H new ATOM 658 N GLY A 47 1.429 -9.116 -3.458 1.00 0.00 N ATOM 659 CA GLY A 47 0.752 -10.037 -4.410 1.00 0.00 C ATOM 660 C GLY A 47 1.173 -11.480 -4.111 1.00 0.00 C ATOM 661 O GLY A 47 0.530 -12.418 -4.531 1.00 0.00 O ATOM 0 H GLY A 47 2.013 -8.399 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.330 -9.937 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.014 -9.775 -5.435 1.00 0.00 H new ATOM 665 N ASP A 48 2.252 -11.674 -3.398 1.00 0.00 N ATOM 666 CA ASP A 48 2.696 -13.064 -3.089 1.00 0.00 C ATOM 667 C ASP A 48 1.994 -13.557 -1.819 1.00 0.00 C ATOM 668 O ASP A 48 1.757 -14.735 -1.644 1.00 0.00 O ATOM 669 CB ASP A 48 4.209 -13.081 -2.873 1.00 0.00 C ATOM 670 CG ASP A 48 4.877 -13.855 -4.012 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.733 -15.066 -4.042 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.518 -13.222 -4.835 1.00 0.00 O ATOM 0 H ASP A 48 2.842 -10.933 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 48 2.440 -13.718 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.594 -12.062 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.445 -13.545 -1.916 1.00 0.00 H new ATOM 677 N ILE A 49 1.665 -12.659 -0.930 1.00 0.00 N ATOM 678 CA ILE A 49 0.986 -13.058 0.331 1.00 0.00 C ATOM 679 C ILE A 49 -0.511 -13.267 0.060 1.00 0.00 C ATOM 680 O ILE A 49 -1.123 -14.193 0.552 1.00 0.00 O ATOM 681 CB ILE A 49 1.237 -11.942 1.360 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.269 -12.430 2.379 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.040 -11.518 2.099 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.635 -12.565 1.700 1.00 0.00 C ATOM 0 H ILE A 49 1.840 -11.659 -1.026 1.00 0.00 H new ATOM 0 HA ILE A 49 1.375 -13.998 0.721 1.00 0.00 H new ATOM 0 HB ILE A 49 1.601 -11.070 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.333 -11.729 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.961 -13.390 2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.197 -10.728 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.771 -11.150 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.454 -12.375 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.370 -12.913 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.566 -13.282 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.943 -11.596 1.307 1.00 0.00 H new ATOM 696 N THR A 50 -1.094 -12.399 -0.714 1.00 0.00 N ATOM 697 CA THR A 50 -2.549 -12.520 -1.022 1.00 0.00 C ATOM 698 C THR A 50 -2.749 -12.898 -2.498 1.00 0.00 C ATOM 699 O THR A 50 -3.865 -12.990 -2.969 1.00 0.00 O ATOM 700 CB THR A 50 -3.296 -11.198 -0.703 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.425 -11.079 -1.559 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.388 -9.968 -0.899 1.00 0.00 C ATOM 0 H THR A 50 -0.625 -11.605 -1.151 1.00 0.00 H new ATOM 0 HA THR A 50 -2.965 -13.307 -0.394 1.00 0.00 H new ATOM 0 HB THR A 50 -3.605 -11.231 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.638 -11.955 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.947 -9.062 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.526 -10.043 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.048 -9.928 -1.934 1.00 0.00 H new ATOM 710 N GLY A 51 -1.690 -13.136 -3.232 1.00 0.00 N ATOM 711 CA GLY A 51 -1.858 -13.526 -4.660 1.00 0.00 C ATOM 712 C GLY A 51 -2.129 -12.291 -5.531 1.00 0.00 C ATOM 713 O GLY A 51 -2.287 -12.400 -6.730 1.00 0.00 O ATOM 0 H GLY A 51 -0.726 -13.077 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.960 -14.035 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.683 -14.232 -4.755 1.00 0.00 H new ATOM 717 N ARG A 52 -2.220 -11.125 -4.944 1.00 0.00 N ATOM 718 CA ARG A 52 -2.519 -9.907 -5.754 1.00 0.00 C ATOM 719 C ARG A 52 -1.320 -9.473 -6.587 1.00 0.00 C ATOM 720 O ARG A 52 -0.575 -8.590 -6.211 1.00 0.00 O ATOM 721 CB ARG A 52 -2.917 -8.764 -4.830 1.00 0.00 C ATOM 722 CG ARG A 52 -4.437 -8.708 -4.773 1.00 0.00 C ATOM 723 CD ARG A 52 -4.901 -8.658 -3.333 1.00 0.00 C ATOM 724 NE ARG A 52 -5.836 -7.516 -3.147 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.047 -7.625 -3.627 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.266 -7.536 -4.914 1.00 0.00 N ATOM 727 NH2 ARG A 52 -8.046 -7.832 -2.823 1.00 0.00 N ATOM 0 H ARG A 52 -2.101 -10.964 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.336 -10.154 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.504 -8.919 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.515 -7.820 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.797 -7.830 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.860 -9.581 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.396 -9.592 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.044 -8.551 -2.668 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.540 -6.671 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.487 -7.380 -5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.215 -7.623 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.885 -7.909 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.992 -7.917 -3.196 1.00 0.00 H new ATOM 741 N ASP A 53 -1.155 -10.052 -7.735 1.00 0.00 N ATOM 742 CA ASP A 53 -0.033 -9.640 -8.612 1.00 0.00 C ATOM 743 C ASP A 53 -0.268 -8.177 -9.017 1.00 0.00 C ATOM 744 O ASP A 53 -1.285 -7.611 -8.667 1.00 0.00 O ATOM 745 CB ASP A 53 -0.005 -10.533 -9.856 1.00 0.00 C ATOM 746 CG ASP A 53 1.266 -11.385 -9.842 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.395 -12.206 -8.948 1.00 0.00 O ATOM 748 OD2 ASP A 53 2.087 -11.205 -10.726 1.00 0.00 O ATOM 0 H ASP A 53 -1.749 -10.794 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 53 0.921 -9.738 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.886 -11.175 -9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.036 -9.921 -10.757 1.00 0.00 H new ATOM 753 N PRO A 54 0.664 -7.595 -9.734 1.00 0.00 N ATOM 754 CA PRO A 54 0.539 -6.195 -10.169 1.00 0.00 C ATOM 755 C PRO A 54 -0.429 -6.080 -11.351 1.00 0.00 C ATOM 756 O PRO A 54 -1.265 -5.199 -11.397 1.00 0.00 O ATOM 757 CB PRO A 54 1.964 -5.815 -10.582 1.00 0.00 C ATOM 758 CG PRO A 54 2.693 -7.143 -10.899 1.00 0.00 C ATOM 759 CD PRO A 54 1.913 -8.257 -10.177 1.00 0.00 C ATOM 0 HA PRO A 54 0.140 -5.541 -9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.955 -5.159 -11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.470 -5.275 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.720 -7.323 -11.974 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.727 -7.109 -10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.706 -9.094 -10.843 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.475 -8.654 -9.332 1.00 0.00 H new ATOM 767 N LYS A 55 -0.321 -6.957 -12.310 1.00 0.00 N ATOM 768 CA LYS A 55 -1.229 -6.890 -13.487 1.00 0.00 C ATOM 769 C LYS A 55 -2.673 -7.180 -13.061 1.00 0.00 C ATOM 770 O LYS A 55 -3.607 -6.901 -13.786 1.00 0.00 O ATOM 771 CB LYS A 55 -0.792 -7.923 -14.528 1.00 0.00 C ATOM 772 CG LYS A 55 -0.762 -9.312 -13.889 1.00 0.00 C ATOM 773 CD LYS A 55 0.644 -9.905 -14.019 1.00 0.00 C ATOM 774 CE LYS A 55 0.635 -11.354 -13.530 1.00 0.00 C ATOM 775 NZ LYS A 55 0.886 -12.268 -14.680 1.00 0.00 N ATOM 0 H LYS A 55 0.358 -7.718 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.178 -5.889 -13.915 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.479 -7.915 -15.374 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.194 -7.669 -14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.045 -9.247 -12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.489 -9.963 -14.375 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.973 -9.863 -15.057 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.353 -9.318 -13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.399 -11.496 -12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.325 -11.587 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.880 -13.254 -14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.142 -12.139 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.812 -12.050 -15.101 1.00 0.00 H new ATOM 789 N GLN A 56 -2.869 -7.744 -11.899 1.00 0.00 N ATOM 790 CA GLN A 56 -4.258 -8.051 -11.454 1.00 0.00 C ATOM 791 C GLN A 56 -4.824 -6.876 -10.657 1.00 0.00 C ATOM 792 O GLN A 56 -5.923 -6.421 -10.903 1.00 0.00 O ATOM 793 CB GLN A 56 -4.251 -9.306 -10.578 1.00 0.00 C ATOM 794 CG GLN A 56 -5.320 -10.284 -11.071 1.00 0.00 C ATOM 795 CD GLN A 56 -4.882 -11.716 -10.760 1.00 0.00 C ATOM 796 OE1 GLN A 56 -4.706 -12.074 -9.612 1.00 0.00 O ATOM 797 NE2 GLN A 56 -4.695 -12.557 -11.741 1.00 0.00 N ATOM 0 H GLN A 56 -2.132 -8.004 -11.243 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.882 -8.222 -12.331 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.269 -9.778 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.441 -9.037 -9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.274 -10.071 -10.588 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.472 -10.163 -12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.843 -12.257 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.401 -13.514 -11.544 1.00 0.00 H new ATOM 806 N VAL A 57 -4.084 -6.376 -9.707 1.00 0.00 N ATOM 807 CA VAL A 57 -4.585 -5.226 -8.905 1.00 0.00 C ATOM 808 C VAL A 57 -4.604 -3.966 -9.766 1.00 0.00 C ATOM 809 O VAL A 57 -5.118 -2.943 -9.364 1.00 0.00 O ATOM 810 CB VAL A 57 -3.674 -5.005 -7.704 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.663 -6.266 -6.848 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.255 -4.702 -8.189 1.00 0.00 C ATOM 0 H VAL A 57 -3.156 -6.713 -9.452 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.596 -5.443 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.040 -4.165 -7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.013 -6.115 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.675 -6.482 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.293 -7.104 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.603 -4.544 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.884 -5.542 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.266 -3.804 -8.807 1.00 0.00 H new ATOM 822 N ILE A 58 -4.053 -4.025 -10.949 1.00 0.00 N ATOM 823 CA ILE A 58 -4.056 -2.828 -11.824 1.00 0.00 C ATOM 824 C ILE A 58 -5.492 -2.577 -12.283 1.00 0.00 C ATOM 825 O ILE A 58 -6.149 -3.443 -12.825 1.00 0.00 O ATOM 826 CB ILE A 58 -3.090 -3.075 -13.003 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.790 -2.336 -12.707 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.657 -2.567 -14.342 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.636 -3.011 -13.450 1.00 0.00 C ATOM 0 H ILE A 58 -3.603 -4.851 -11.343 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.710 -1.938 -11.299 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.935 -4.149 -13.100 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.874 -1.294 -13.015 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.595 -2.337 -11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.940 -2.764 -15.139 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.593 -3.082 -14.560 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.840 -1.495 -14.276 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.293 -2.482 -13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.547 -4.046 -13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.830 -2.987 -14.522 1.00 0.00 H new ATOM 841 N GLY A 59 -5.983 -1.401 -12.041 1.00 0.00 N ATOM 842 CA GLY A 59 -7.385 -1.087 -12.430 1.00 0.00 C ATOM 843 C GLY A 59 -8.301 -1.379 -11.236 1.00 0.00 C ATOM 844 O GLY A 59 -9.408 -0.886 -11.154 1.00 0.00 O ATOM 0 H GLY A 59 -5.476 -0.639 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.470 -0.041 -12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.682 -1.687 -13.290 1.00 0.00 H new ATOM 848 N LYS A 60 -7.839 -2.175 -10.303 1.00 0.00 N ATOM 849 CA LYS A 60 -8.669 -2.494 -9.110 1.00 0.00 C ATOM 850 C LYS A 60 -8.599 -1.326 -8.130 1.00 0.00 C ATOM 851 O LYS A 60 -7.534 -0.824 -7.822 1.00 0.00 O ATOM 852 CB LYS A 60 -8.120 -3.748 -8.418 1.00 0.00 C ATOM 853 CG LYS A 60 -7.950 -4.879 -9.435 1.00 0.00 C ATOM 854 CD LYS A 60 -9.316 -5.255 -10.013 1.00 0.00 C ATOM 855 CE LYS A 60 -9.498 -6.774 -9.953 1.00 0.00 C ATOM 856 NZ LYS A 60 -9.292 -7.355 -11.310 1.00 0.00 N ATOM 0 H LYS A 60 -6.920 -2.617 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.699 -2.668 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.162 -3.524 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.798 -4.061 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.279 -4.566 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.494 -5.746 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.109 -4.761 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.394 -4.910 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.788 -7.208 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.497 -7.017 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.416 -8.387 -11.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.986 -6.949 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.331 -7.135 -11.640 1.00 0.00 H new ATOM 870 N ASN A 61 -9.719 -0.898 -7.625 1.00 0.00 N ATOM 871 CA ASN A 61 -9.703 0.223 -6.649 1.00 0.00 C ATOM 872 C ASN A 61 -9.146 -0.306 -5.330 1.00 0.00 C ATOM 873 O ASN A 61 -9.637 -1.277 -4.789 1.00 0.00 O ATOM 874 CB ASN A 61 -11.128 0.735 -6.432 1.00 0.00 C ATOM 875 CG ASN A 61 -11.225 2.194 -6.882 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.676 3.042 -6.138 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.821 2.524 -8.078 1.00 0.00 N ATOM 0 H ASN A 61 -10.641 -1.274 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.086 1.041 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.834 0.123 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.399 0.650 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.884 3.494 -8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.442 1.812 -8.703 1.00 0.00 H new ATOM 884 N PHE A 62 -8.124 0.312 -4.804 1.00 0.00 N ATOM 885 CA PHE A 62 -7.554 -0.182 -3.519 1.00 0.00 C ATOM 886 C PHE A 62 -8.581 -0.048 -2.392 1.00 0.00 C ATOM 887 O PHE A 62 -8.387 -0.559 -1.307 1.00 0.00 O ATOM 888 CB PHE A 62 -6.308 0.613 -3.140 1.00 0.00 C ATOM 889 CG PHE A 62 -5.733 -0.013 -1.898 1.00 0.00 C ATOM 890 CD1 PHE A 62 -4.923 -1.147 -2.005 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.042 0.513 -0.639 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.420 -1.758 -0.852 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.531 -0.094 0.514 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.724 -1.229 0.407 1.00 0.00 C ATOM 0 H PHE A 62 -7.663 1.129 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.290 -1.231 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.580 0.595 -3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.560 1.658 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.686 -1.551 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.673 1.385 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.798 -2.637 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.761 0.315 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.334 -1.699 1.298 1.00 0.00 H new ATOM 904 N PHE A 63 -9.660 0.641 -2.624 1.00 0.00 N ATOM 905 CA PHE A 63 -10.667 0.805 -1.543 1.00 0.00 C ATOM 906 C PHE A 63 -11.955 0.064 -1.902 1.00 0.00 C ATOM 907 O PHE A 63 -13.024 0.418 -1.447 1.00 0.00 O ATOM 908 CB PHE A 63 -10.977 2.291 -1.361 1.00 0.00 C ATOM 909 CG PHE A 63 -9.754 3.000 -0.833 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.382 2.848 0.507 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.993 3.810 -1.684 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.248 3.507 0.997 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.859 4.469 -1.195 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.486 4.317 0.146 1.00 0.00 C ATOM 0 H PHE A 63 -9.888 1.095 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.264 0.392 -0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.282 2.729 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.810 2.417 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.969 2.223 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.281 3.927 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.961 3.391 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.272 5.094 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.611 4.824 0.524 1.00 0.00 H new ATOM 924 N LYS A 64 -11.874 -0.959 -2.712 1.00 0.00 N ATOM 925 CA LYS A 64 -13.118 -1.694 -3.078 1.00 0.00 C ATOM 926 C LYS A 64 -12.786 -3.027 -3.751 1.00 0.00 C ATOM 927 O LYS A 64 -13.202 -4.078 -3.304 1.00 0.00 O ATOM 928 CB LYS A 64 -13.947 -0.838 -4.038 1.00 0.00 C ATOM 929 CG LYS A 64 -15.401 -1.312 -4.017 1.00 0.00 C ATOM 930 CD LYS A 64 -16.057 -0.875 -2.706 1.00 0.00 C ATOM 931 CE LYS A 64 -17.539 -1.250 -2.723 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.062 -1.269 -1.328 1.00 0.00 N ATOM 0 H LYS A 64 -11.013 -1.313 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.683 -1.895 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.891 0.211 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.544 -0.911 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.944 -0.895 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.443 -2.397 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.560 -1.354 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.945 0.201 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.100 -0.533 -3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.673 -2.228 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.070 -1.524 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.534 -1.969 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.948 -0.327 -0.902 1.00 0.00 H new ATOM 946 N ASP A 65 -12.065 -2.999 -4.839 1.00 0.00 N ATOM 947 CA ASP A 65 -11.743 -4.269 -5.549 1.00 0.00 C ATOM 948 C ASP A 65 -10.441 -4.879 -5.019 1.00 0.00 C ATOM 949 O ASP A 65 -10.081 -5.982 -5.382 1.00 0.00 O ATOM 950 CB ASP A 65 -11.597 -3.991 -7.046 1.00 0.00 C ATOM 951 CG ASP A 65 -12.902 -4.349 -7.761 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.943 -4.266 -7.131 1.00 0.00 O ATOM 953 OD2 ASP A 65 -12.837 -4.701 -8.927 1.00 0.00 O ATOM 0 H ASP A 65 -11.686 -2.154 -5.266 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.554 -4.976 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.356 -2.941 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.773 -4.575 -7.456 1.00 0.00 H new ATOM 958 N VAL A 66 -9.725 -4.191 -4.168 1.00 0.00 N ATOM 959 CA VAL A 66 -8.461 -4.771 -3.645 1.00 0.00 C ATOM 960 C VAL A 66 -8.570 -4.953 -2.144 1.00 0.00 C ATOM 961 O VAL A 66 -7.893 -5.761 -1.545 1.00 0.00 O ATOM 962 CB VAL A 66 -7.316 -3.821 -3.907 1.00 0.00 C ATOM 963 CG1 VAL A 66 -5.989 -4.511 -3.590 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.323 -3.392 -5.365 1.00 0.00 C ATOM 0 H VAL A 66 -9.961 -3.262 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.286 -5.727 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.432 -2.944 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.166 -3.822 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.976 -4.811 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.877 -5.393 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.495 -2.707 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.215 -4.269 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.264 -2.892 -5.592 1.00 0.00 H new ATOM 974 N ALA A 67 -9.381 -4.168 -1.523 1.00 0.00 N ATOM 975 CA ALA A 67 -9.504 -4.266 -0.060 1.00 0.00 C ATOM 976 C ALA A 67 -10.785 -3.546 0.382 1.00 0.00 C ATOM 977 O ALA A 67 -10.782 -2.341 0.542 1.00 0.00 O ATOM 978 CB ALA A 67 -8.277 -3.590 0.551 1.00 0.00 C ATOM 0 H ALA A 67 -9.966 -3.460 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.559 -5.305 0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.335 -3.644 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.375 -4.097 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.245 -2.545 0.241 1.00 0.00 H new ATOM 984 N PRO A 68 -11.852 -4.297 0.569 1.00 0.00 N ATOM 985 CA PRO A 68 -13.144 -3.724 0.991 1.00 0.00 C ATOM 986 C PRO A 68 -13.103 -3.337 2.477 1.00 0.00 C ATOM 987 O PRO A 68 -14.053 -2.805 3.014 1.00 0.00 O ATOM 988 CB PRO A 68 -14.147 -4.854 0.736 1.00 0.00 C ATOM 989 CG PRO A 68 -13.330 -6.166 0.713 1.00 0.00 C ATOM 990 CD PRO A 68 -11.877 -5.770 0.391 1.00 0.00 C ATOM 0 HA PRO A 68 -13.403 -2.812 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.906 -4.883 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.668 -4.705 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.389 -6.677 1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.720 -6.853 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.172 -6.264 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.603 -6.053 -0.625 1.00 0.00 H new ATOM 998 N CYS A 69 -12.007 -3.595 3.139 1.00 0.00 N ATOM 999 CA CYS A 69 -11.896 -3.239 4.578 1.00 0.00 C ATOM 1000 C CYS A 69 -11.332 -1.821 4.704 1.00 0.00 C ATOM 1001 O CYS A 69 -11.545 -1.140 5.688 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.942 -4.226 5.255 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.306 -4.105 4.482 1.00 0.00 S ATOM 0 H CYS A 69 -11.180 -4.040 2.740 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.876 -3.284 5.052 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.870 -4.008 6.320 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.326 -5.242 5.163 1.00 0.00 H new ATOM 1008 N THR A 70 -10.603 -1.379 3.713 1.00 0.00 N ATOM 1009 CA THR A 70 -10.009 -0.015 3.767 1.00 0.00 C ATOM 1010 C THR A 70 -11.099 1.043 3.571 1.00 0.00 C ATOM 1011 O THR A 70 -10.845 2.224 3.678 1.00 0.00 O ATOM 1012 CB THR A 70 -8.959 0.125 2.660 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.548 -0.184 1.402 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.801 -0.837 2.930 1.00 0.00 C ATOM 0 H THR A 70 -10.394 -1.908 2.866 1.00 0.00 H new ATOM 0 HA THR A 70 -9.542 0.132 4.741 1.00 0.00 H new ATOM 0 HB THR A 70 -8.585 1.149 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.677 -1.153 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.054 -0.737 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.348 -0.600 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.175 -1.861 2.948 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.310 0.638 3.287 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.399 1.638 3.093 1.00 0.00 C ATOM 1024 C ASP A 71 -14.051 1.944 4.442 1.00 0.00 C ATOM 1025 O ASP A 71 -15.233 1.741 4.635 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.448 1.073 2.132 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.013 -0.237 2.687 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.686 -0.576 3.813 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.767 -0.880 1.975 1.00 0.00 O ATOM 0 H ASP A 71 -12.590 -0.337 3.182 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.983 2.554 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.252 1.795 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.001 0.900 1.153 1.00 0.00 H new ATOM 1034 N SER A 72 -13.285 2.430 5.380 1.00 0.00 N ATOM 1035 CA SER A 72 -13.850 2.749 6.719 1.00 0.00 C ATOM 1036 C SER A 72 -13.119 3.969 7.297 1.00 0.00 C ATOM 1037 O SER A 72 -12.136 4.414 6.730 1.00 0.00 O ATOM 1038 CB SER A 72 -13.655 1.549 7.646 1.00 0.00 C ATOM 1039 OG SER A 72 -14.911 0.922 7.873 1.00 0.00 O ATOM 0 H SER A 72 -12.288 2.620 5.275 1.00 0.00 H new ATOM 0 HA SER A 72 -14.914 2.970 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.957 0.840 7.200 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.221 1.872 8.592 1.00 0.00 H new ATOM 0 HG SER A 72 -14.789 0.151 8.466 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.616 4.479 8.412 1.00 0.00 N ATOM 1046 CA PRO A 73 -13.019 5.652 9.079 1.00 0.00 C ATOM 1047 C PRO A 73 -11.739 5.249 9.817 1.00 0.00 C ATOM 1048 O PRO A 73 -11.728 5.058 11.016 1.00 0.00 O ATOM 1049 CB PRO A 73 -14.104 6.107 10.059 1.00 0.00 C ATOM 1050 CG PRO A 73 -15.012 4.880 10.307 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.807 3.935 9.109 1.00 0.00 C ATOM 0 HA PRO A 73 -12.731 6.441 8.384 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.662 6.458 10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.677 6.937 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.748 4.385 11.241 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.056 5.181 10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.642 2.908 9.436 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.680 3.925 8.456 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.664 5.119 9.092 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.363 4.724 9.705 1.00 0.00 C ATOM 1061 C GLU A 74 -8.394 4.401 8.571 1.00 0.00 C ATOM 1062 O GLU A 74 -7.211 4.665 8.644 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.552 3.487 10.582 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.009 3.768 11.984 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.668 2.822 12.989 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.744 2.331 12.691 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.086 2.607 14.039 1.00 0.00 O ATOM 0 H GLU A 74 -10.630 5.272 8.084 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.977 5.533 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.608 3.224 10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.033 2.635 10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.927 3.635 11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.207 4.804 12.261 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.909 3.847 7.511 1.00 0.00 N ATOM 1075 CA PHE A 75 -8.061 3.522 6.338 1.00 0.00 C ATOM 1076 C PHE A 75 -8.384 4.541 5.242 1.00 0.00 C ATOM 1077 O PHE A 75 -7.579 5.394 4.910 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.382 2.108 5.851 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.120 1.462 5.336 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.554 1.905 4.138 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.514 0.426 6.058 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.381 1.313 3.657 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.339 -0.166 5.577 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.773 0.277 4.377 1.00 0.00 C ATOM 0 H PHE A 75 -9.894 3.603 7.408 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.003 3.564 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.801 1.517 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.134 2.144 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.022 2.705 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.952 0.084 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.944 1.655 2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.870 -0.965 6.133 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.867 -0.180 4.006 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.578 4.495 4.709 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.947 5.495 3.672 1.00 0.00 C ATOM 1096 C TYR A 76 -10.288 6.806 4.375 1.00 0.00 C ATOM 1097 O TYR A 76 -10.224 7.860 3.791 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.150 5.022 2.856 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.352 5.962 1.689 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.300 6.207 0.796 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.588 6.594 1.504 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.484 7.081 -0.285 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.773 7.468 0.426 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.722 7.712 -0.468 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.906 8.573 -1.531 1.00 0.00 O ATOM 0 H TYR A 76 -10.302 3.817 4.945 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.110 5.630 2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.986 4.006 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.043 4.999 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.346 5.722 0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.398 6.407 2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.674 7.267 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.727 7.955 0.283 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.821 8.924 -1.513 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.636 6.748 5.635 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.950 7.997 6.382 1.00 0.00 C ATOM 1117 C GLY A 77 -9.707 8.873 6.401 1.00 0.00 C ATOM 1118 O GLY A 77 -9.721 10.006 5.966 1.00 0.00 O ATOM 0 H GLY A 77 -10.716 5.888 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.778 8.524 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.263 7.762 7.399 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.626 8.348 6.899 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.368 9.141 6.946 1.00 0.00 C ATOM 1124 C LYS A 78 -6.894 9.419 5.526 1.00 0.00 C ATOM 1125 O LYS A 78 -6.088 10.288 5.297 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.314 8.366 7.741 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.966 7.731 8.985 1.00 0.00 C ATOM 1128 CD LYS A 78 -8.028 8.673 9.580 1.00 0.00 C ATOM 1129 CE LYS A 78 -8.069 8.518 11.100 1.00 0.00 C ATOM 1130 NZ LYS A 78 -9.484 8.562 11.562 1.00 0.00 N ATOM 0 H LYS A 78 -8.558 7.403 7.276 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.540 10.096 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.870 7.592 7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.507 9.034 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.425 6.780 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.203 7.516 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.799 9.706 9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.006 8.446 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.608 7.575 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.495 9.314 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.515 8.457 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.909 9.473 11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.018 7.787 11.119 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.405 8.698 4.571 1.00 0.00 N ATOM 1145 CA PHE A 79 -7.020 8.940 3.164 1.00 0.00 C ATOM 1146 C PHE A 79 -7.750 10.184 2.677 1.00 0.00 C ATOM 1147 O PHE A 79 -7.205 10.984 1.959 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.433 7.730 2.334 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.245 7.984 0.850 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.150 8.802 0.154 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.182 7.379 0.159 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.992 9.008 -1.223 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -6.032 7.591 -1.210 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.933 8.400 -1.900 1.00 0.00 C ATOM 0 H PHE A 79 -8.079 7.945 4.711 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.944 9.089 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.843 6.864 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.477 7.490 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.968 9.272 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.482 6.750 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.688 9.636 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.213 7.126 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.812 8.557 -2.962 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.972 10.365 3.086 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.718 11.567 2.676 1.00 0.00 C ATOM 1166 C LYS A 80 -9.253 12.744 3.535 1.00 0.00 C ATOM 1167 O LYS A 80 -9.627 13.879 3.310 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.213 11.335 2.883 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.783 10.590 1.672 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.252 10.969 1.478 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.146 9.907 2.123 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.838 10.495 3.303 1.00 0.00 N ATOM 0 H LYS A 80 -9.484 9.723 3.691 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.536 11.781 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.380 10.757 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.726 12.288 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.212 10.839 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.691 9.514 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.448 11.944 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.479 11.053 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.878 9.545 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.548 9.049 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.446 9.775 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.131 10.820 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.420 11.301 2.998 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.427 12.478 4.515 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.919 13.576 5.386 1.00 0.00 C ATOM 1188 C GLU A 81 -6.565 14.012 4.844 1.00 0.00 C ATOM 1189 O GLU A 81 -6.237 15.181 4.797 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.759 13.063 6.821 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.058 12.391 7.273 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.847 13.351 8.164 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.162 14.434 7.701 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.125 12.985 9.295 1.00 0.00 O ATOM 0 H GLU A 81 -8.083 11.546 4.748 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.616 14.414 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.933 12.354 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.514 13.889 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.655 12.110 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.835 11.473 7.817 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.790 13.061 4.411 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.454 13.375 3.836 1.00 0.00 C ATOM 1203 C GLY A 82 -4.673 14.057 2.492 1.00 0.00 C ATOM 1204 O GLY A 82 -4.025 15.026 2.157 1.00 0.00 O ATOM 0 H GLY A 82 -6.027 12.069 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.893 14.025 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.868 12.464 3.711 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.595 13.550 1.727 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.888 14.158 0.399 1.00 0.00 C ATOM 1210 C VAL A 83 -6.319 15.619 0.582 1.00 0.00 C ATOM 1211 O VAL A 83 -5.959 16.481 -0.193 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.031 13.390 -0.269 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.324 14.005 -1.638 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.634 11.923 -0.441 1.00 0.00 C ATOM 0 H VAL A 83 -6.162 12.736 1.964 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.992 14.112 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.922 13.450 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.138 13.459 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.611 15.049 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.432 13.946 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.450 11.379 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.742 11.858 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.427 11.485 0.535 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.105 15.898 1.588 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.578 17.298 1.802 1.00 0.00 C ATOM 1226 C ALA A 84 -6.527 18.116 2.557 1.00 0.00 C ATOM 1227 O ALA A 84 -6.570 19.330 2.569 1.00 0.00 O ATOM 1228 CB ALA A 84 -8.877 17.273 2.610 1.00 0.00 C ATOM 0 H ALA A 84 -7.440 15.218 2.270 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.749 17.762 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.226 18.293 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.635 16.711 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.697 16.797 3.574 1.00 0.00 H new ATOM 1234 N SER A 85 -5.589 17.473 3.191 1.00 0.00 N ATOM 1235 CA SER A 85 -4.550 18.236 3.943 1.00 0.00 C ATOM 1236 C SER A 85 -3.383 18.578 3.013 1.00 0.00 C ATOM 1237 O SER A 85 -2.620 19.487 3.272 1.00 0.00 O ATOM 1238 CB SER A 85 -4.042 17.392 5.110 1.00 0.00 C ATOM 1239 OG SER A 85 -5.057 17.309 6.103 1.00 0.00 O ATOM 0 H SER A 85 -5.494 16.458 3.223 1.00 0.00 H new ATOM 0 HA SER A 85 -4.988 19.159 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.773 16.394 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.140 17.837 5.531 1.00 0.00 H new ATOM 0 HG SER A 85 -5.673 16.580 5.881 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.237 17.862 1.933 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.116 18.153 0.995 1.00 0.00 C ATOM 1247 C GLY A 86 -0.826 17.525 1.528 1.00 0.00 C ATOM 1248 O GLY A 86 0.265 17.924 1.169 1.00 0.00 O ATOM 0 H GLY A 86 -3.844 17.089 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.344 17.757 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.990 19.230 0.886 1.00 0.00 H new ATOM 1252 N ASN A 87 -0.941 16.543 2.381 1.00 0.00 N ATOM 1253 CA ASN A 87 0.278 15.891 2.937 1.00 0.00 C ATOM 1254 C ASN A 87 -0.114 14.576 3.613 1.00 0.00 C ATOM 1255 O ASN A 87 0.143 14.363 4.781 1.00 0.00 O ATOM 1256 CB ASN A 87 0.937 16.819 3.957 1.00 0.00 C ATOM 1257 CG ASN A 87 2.110 17.546 3.299 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.920 16.934 2.631 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.237 18.835 3.457 1.00 0.00 N ATOM 0 H ASN A 87 -1.827 16.165 2.716 1.00 0.00 H new ATOM 0 HA ASN A 87 0.983 15.688 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.211 17.541 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.286 16.245 4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.016 19.328 3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.558 19.349 4.017 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.739 13.694 2.879 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.161 12.380 3.454 1.00 0.00 C ATOM 1268 C LEU A 88 -0.012 11.755 4.241 1.00 0.00 C ATOM 1269 O LEU A 88 1.065 11.566 3.728 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.564 11.438 2.320 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.369 10.271 2.891 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.387 9.801 1.852 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.425 9.119 3.236 1.00 0.00 C ATOM 0 H LEU A 88 -0.978 13.828 1.896 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.006 12.541 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.157 11.975 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.676 11.066 1.809 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.890 10.595 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.962 8.969 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.061 10.622 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.865 9.477 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.000 8.287 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.904 8.794 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.698 9.454 3.975 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.245 11.435 5.486 1.00 0.00 N ATOM 1286 CA ASN A 89 0.823 10.815 6.319 1.00 0.00 C ATOM 1287 C ASN A 89 0.176 10.136 7.528 1.00 0.00 C ATOM 1288 O ASN A 89 -0.002 10.749 8.562 1.00 0.00 O ATOM 1289 CB ASN A 89 1.793 11.898 6.799 1.00 0.00 C ATOM 1290 CG ASN A 89 1.020 12.990 7.540 1.00 0.00 C ATOM 1291 OD1 ASN A 89 0.017 13.476 7.057 1.00 0.00 O ATOM 1292 ND2 ASN A 89 1.447 13.399 8.703 1.00 0.00 N ATOM 0 H ASN A 89 -1.135 11.578 5.963 1.00 0.00 H new ATOM 0 HA ASN A 89 1.371 10.079 5.730 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.545 11.461 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.324 12.327 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.939 14.126 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.289 12.991 9.109 1.00 0.00 H new ATOM 1299 N THR A 90 -0.194 8.884 7.418 1.00 0.00 N ATOM 1300 CA THR A 90 -0.839 8.218 8.584 1.00 0.00 C ATOM 1301 C THR A 90 -0.579 6.712 8.553 1.00 0.00 C ATOM 1302 O THR A 90 -0.394 6.119 7.510 1.00 0.00 O ATOM 1303 CB THR A 90 -2.347 8.475 8.541 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.981 7.729 9.571 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.904 8.049 7.182 1.00 0.00 C ATOM 0 H THR A 90 -0.079 8.305 6.586 1.00 0.00 H new ATOM 0 HA THR A 90 -0.417 8.627 9.502 1.00 0.00 H new ATOM 0 HB THR A 90 -2.538 9.538 8.690 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.947 7.893 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.978 8.233 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.417 8.623 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.714 6.987 7.028 1.00 0.00 H new ATOM 1313 N MET A 91 -0.578 6.095 9.702 1.00 0.00 N ATOM 1314 CA MET A 91 -0.348 4.627 9.776 1.00 0.00 C ATOM 1315 C MET A 91 -1.288 4.040 10.829 1.00 0.00 C ATOM 1316 O MET A 91 -2.051 4.748 11.455 1.00 0.00 O ATOM 1317 CB MET A 91 1.105 4.348 10.177 1.00 0.00 C ATOM 1318 CG MET A 91 1.481 5.213 11.383 1.00 0.00 C ATOM 1319 SD MET A 91 2.598 4.289 12.467 1.00 0.00 S ATOM 1320 CE MET A 91 3.879 5.559 12.616 1.00 0.00 C ATOM 0 H MET A 91 -0.728 6.551 10.602 1.00 0.00 H new ATOM 0 HA MET A 91 -0.541 4.173 8.804 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.229 3.293 10.421 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.771 4.563 9.341 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.961 6.133 11.048 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.584 5.502 11.930 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.682 5.193 13.255 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.278 5.791 11.629 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.449 6.460 13.054 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.232 2.757 11.035 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.115 2.120 12.052 1.00 0.00 C ATOM 1332 C PHE A 92 -1.980 0.602 11.956 1.00 0.00 C ATOM 1333 O PHE A 92 -1.368 0.082 11.048 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.581 2.518 11.812 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.927 2.384 10.346 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.315 1.144 9.825 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.864 3.500 9.510 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.633 1.022 8.466 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.185 3.378 8.153 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.569 2.139 7.631 1.00 0.00 C ATOM 0 H PHE A 92 -0.610 2.117 10.541 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.816 2.459 13.044 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.239 1.885 12.407 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.745 3.545 12.139 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.369 0.280 10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.567 4.458 9.910 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.928 0.064 8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.136 4.243 7.508 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.816 2.046 6.584 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.549 -0.115 12.881 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.456 -1.597 12.822 1.00 0.00 C ATOM 1352 C GLU A 93 -3.695 -2.121 12.106 1.00 0.00 C ATOM 1353 O GLU A 93 -4.790 -2.074 12.628 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.397 -2.170 14.241 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.181 -3.090 14.377 1.00 0.00 C ATOM 1356 CD GLU A 93 -0.642 -3.019 15.808 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -0.729 -1.956 16.402 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -0.151 -4.028 16.286 1.00 0.00 O ATOM 0 H GLU A 93 -3.072 0.259 13.672 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.555 -1.898 12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.335 -1.360 14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.310 -2.724 14.458 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.459 -4.115 14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.406 -2.792 13.670 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.537 -2.609 10.907 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.720 -3.116 10.167 1.00 0.00 C ATOM 1367 C TYR A 94 -4.627 -4.630 10.024 1.00 0.00 C ATOM 1368 O TYR A 94 -3.613 -5.235 10.315 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.773 -2.468 8.782 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.178 -1.986 8.514 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.778 -1.065 9.382 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -6.881 -2.464 7.404 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.084 -0.620 9.135 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.184 -2.019 7.157 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.787 -1.098 8.022 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.073 -0.660 7.778 1.00 0.00 O ATOM 0 H TYR A 94 -2.647 -2.677 10.413 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.626 -2.864 10.718 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.073 -1.634 8.730 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.470 -3.186 8.020 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.235 -0.698 10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.418 -3.177 6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.548 0.091 9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.726 -2.386 6.298 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.399 -1.051 6.941 1.00 0.00 H new ATOM 1386 N THR A 95 -5.680 -5.247 9.578 1.00 0.00 N ATOM 1387 CA THR A 95 -5.664 -6.721 9.414 1.00 0.00 C ATOM 1388 C THR A 95 -6.305 -7.086 8.078 1.00 0.00 C ATOM 1389 O THR A 95 -7.504 -6.989 7.907 1.00 0.00 O ATOM 1390 CB THR A 95 -6.452 -7.376 10.551 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.874 -7.014 11.797 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.412 -8.898 10.390 1.00 0.00 C ATOM 0 H THR A 95 -6.555 -4.791 9.319 1.00 0.00 H new ATOM 0 HA THR A 95 -4.634 -7.077 9.438 1.00 0.00 H new ATOM 0 HB THR A 95 -7.487 -7.036 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.379 -7.432 12.526 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.973 -9.364 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.857 -9.175 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.378 -9.240 10.421 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.520 -7.517 7.134 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.096 -7.899 5.816 1.00 0.00 C ATOM 1402 C PHE A 96 -6.681 -9.305 5.939 1.00 0.00 C ATOM 1403 O PHE A 96 -6.037 -10.292 5.638 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.003 -7.877 4.737 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.565 -6.451 4.413 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.126 -5.343 5.079 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.582 -6.243 3.435 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.701 -4.045 4.766 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.161 -4.943 3.123 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.719 -3.845 3.789 1.00 0.00 C ATOM 0 H PHE A 96 -4.509 -7.621 7.216 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.875 -7.192 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.143 -8.454 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.374 -8.359 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.885 -5.495 5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.148 -7.087 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.132 -3.198 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.405 -4.788 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.392 -2.844 3.549 1.00 0.00 H new ATOM 1420 N ASP A 97 -7.901 -9.400 6.386 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.548 -10.729 6.544 1.00 0.00 C ATOM 1422 C ASP A 97 -9.610 -10.875 5.468 1.00 0.00 C ATOM 1423 O ASP A 97 -10.644 -11.483 5.667 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.197 -10.822 7.927 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.613 -12.268 8.201 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -8.974 -13.160 7.668 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.566 -12.460 8.939 1.00 0.00 O ATOM 0 H ASP A 97 -8.482 -8.605 6.651 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.807 -11.523 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.498 -10.483 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.067 -10.167 7.977 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.352 -10.323 4.324 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.325 -10.418 3.208 1.00 0.00 C ATOM 1434 C TYR A 98 -10.178 -11.810 2.585 1.00 0.00 C ATOM 1435 O TYR A 98 -9.142 -12.414 2.737 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.019 -9.289 2.186 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.136 -9.786 1.052 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -7.971 -10.515 1.331 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.512 -9.551 -0.269 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.181 -11.005 0.286 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -8.727 -10.047 -1.319 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.560 -10.775 -1.041 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.789 -11.263 -2.075 1.00 0.00 O ATOM 0 H TYR A 98 -8.500 -9.804 4.110 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.353 -10.290 3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.953 -8.903 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.527 -8.460 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.683 -10.699 2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.408 -8.987 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.280 -11.560 0.503 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.021 -9.869 -2.343 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.869 -10.941 -1.977 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.197 -12.289 1.887 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.181 -13.648 1.205 1.00 0.00 C ATOM 1455 C GLN A 99 -9.859 -14.397 1.418 1.00 0.00 C ATOM 1456 O GLN A 99 -9.104 -14.624 0.492 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.401 -13.453 -0.294 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.786 -12.850 -0.534 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.584 -13.755 -1.474 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.073 -14.211 -2.477 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.826 -14.037 -1.189 1.00 0.00 N ATOM 0 H GLN A 99 -12.070 -11.778 1.756 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.976 -14.248 1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.632 -12.798 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.314 -14.408 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.314 -12.737 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.690 -11.854 -0.966 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -15.256 -13.654 -0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.367 -14.640 -1.809 1.00 0.00 H new ATOM 1470 N MET A 100 -9.568 -14.750 2.637 1.00 0.00 N ATOM 1471 CA MET A 100 -8.287 -15.449 2.926 1.00 0.00 C ATOM 1472 C MET A 100 -8.174 -15.681 4.436 1.00 0.00 C ATOM 1473 O MET A 100 -9.165 -15.761 5.135 1.00 0.00 O ATOM 1474 CB MET A 100 -7.117 -14.572 2.454 1.00 0.00 C ATOM 1475 CG MET A 100 -6.099 -15.442 1.711 1.00 0.00 C ATOM 1476 SD MET A 100 -4.452 -15.196 2.423 1.00 0.00 S ATOM 1477 CE MET A 100 -4.387 -13.399 2.223 1.00 0.00 C ATOM 0 H MET A 100 -10.164 -14.584 3.448 1.00 0.00 H new ATOM 0 HA MET A 100 -8.259 -16.406 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.482 -13.780 1.800 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.644 -14.087 3.308 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.383 -16.492 1.781 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.090 -15.184 0.652 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.366 -13.095 1.994 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.046 -13.100 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.710 -12.918 3.146 1.00 0.00 H new ATOM 1487 N THR A 101 -6.976 -15.779 4.948 1.00 0.00 N ATOM 1488 CA THR A 101 -6.805 -15.993 6.413 1.00 0.00 C ATOM 1489 C THR A 101 -6.626 -14.628 7.093 1.00 0.00 C ATOM 1490 O THR A 101 -6.593 -13.617 6.420 1.00 0.00 O ATOM 1491 CB THR A 101 -5.566 -16.864 6.660 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.933 -17.154 5.420 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.983 -18.171 7.338 1.00 0.00 C ATOM 0 H THR A 101 -6.109 -15.720 4.414 1.00 0.00 H new ATOM 0 HA THR A 101 -7.681 -16.496 6.823 1.00 0.00 H new ATOM 0 HB THR A 101 -4.871 -16.327 7.306 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.141 -17.709 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.101 -18.788 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.465 -17.949 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.680 -18.708 6.695 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.513 -14.623 8.405 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.338 -13.371 9.162 1.00 0.00 C ATOM 1503 C PRO A 102 -4.894 -12.881 9.037 1.00 0.00 C ATOM 1504 O PRO A 102 -3.972 -13.503 9.528 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.669 -13.767 10.603 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.468 -15.297 10.692 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.546 -15.838 9.253 1.00 0.00 C ATOM 0 HA PRO A 102 -6.967 -12.556 8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.019 -13.248 11.307 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.694 -13.495 10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.505 -15.535 11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.235 -15.752 11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.710 -16.501 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.459 -16.411 9.092 1.00 0.00 H new ATOM 1515 N THR A 103 -4.690 -11.772 8.378 1.00 0.00 N ATOM 1516 CA THR A 103 -3.305 -11.248 8.213 1.00 0.00 C ATOM 1517 C THR A 103 -3.155 -9.934 8.982 1.00 0.00 C ATOM 1518 O THR A 103 -3.937 -9.020 8.829 1.00 0.00 O ATOM 1519 CB THR A 103 -3.026 -11.013 6.713 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.743 -12.259 6.091 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.829 -10.065 6.515 1.00 0.00 C ATOM 0 H THR A 103 -5.422 -11.207 7.947 1.00 0.00 H new ATOM 0 HA THR A 103 -2.591 -11.972 8.606 1.00 0.00 H new ATOM 0 HB THR A 103 -3.907 -10.555 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.567 -12.116 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.655 -9.917 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.044 -9.105 6.984 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.940 -10.501 6.971 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.128 -9.824 9.773 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.892 -8.555 10.511 1.00 0.00 C ATOM 1531 C LYS A 104 -0.746 -7.845 9.804 1.00 0.00 C ATOM 1532 O LYS A 104 0.149 -8.485 9.298 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.490 -8.831 11.968 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.204 -10.078 12.494 1.00 0.00 C ATOM 1535 CD LYS A 104 -3.694 -9.787 12.661 1.00 0.00 C ATOM 1536 CE LYS A 104 -4.497 -11.056 12.369 1.00 0.00 C ATOM 1537 NZ LYS A 104 -5.698 -11.097 13.252 1.00 0.00 N ATOM 0 H LYS A 104 -1.441 -10.559 9.941 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.801 -7.953 10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.411 -8.968 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.741 -7.972 12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.061 -10.909 11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.773 -10.380 13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.897 -9.441 13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.998 -8.988 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.801 -11.074 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.878 -11.938 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.245 -11.959 13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.397 -11.098 14.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.291 -10.262 13.071 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.758 -6.544 9.743 1.00 0.00 N ATOM 1552 CA VAL A 105 0.353 -5.847 9.037 1.00 0.00 C ATOM 1553 C VAL A 105 0.526 -4.430 9.575 1.00 0.00 C ATOM 1554 O VAL A 105 -0.439 -3.736 9.842 1.00 0.00 O ATOM 1555 CB VAL A 105 0.017 -5.721 7.542 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.218 -7.108 6.940 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.249 -4.864 7.360 1.00 0.00 C ATOM 0 H VAL A 105 -1.476 -5.940 10.144 1.00 0.00 H new ATOM 0 HA VAL A 105 1.263 -6.427 9.193 1.00 0.00 H new ATOM 0 HB VAL A 105 0.854 -5.244 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.455 -7.009 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.682 -7.712 7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.048 -7.592 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.481 -4.779 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.085 -5.335 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.079 -3.871 7.775 1.00 0.00 H new ATOM 1567 N LYS A 106 1.735 -3.960 9.637 1.00 0.00 N ATOM 1568 CA LYS A 106 1.941 -2.554 10.040 1.00 0.00 C ATOM 1569 C LYS A 106 1.608 -1.776 8.792 1.00 0.00 C ATOM 1570 O LYS A 106 2.246 -1.962 7.795 1.00 0.00 O ATOM 1571 CB LYS A 106 3.408 -2.273 10.369 1.00 0.00 C ATOM 1572 CG LYS A 106 3.814 -2.942 11.669 1.00 0.00 C ATOM 1573 CD LYS A 106 4.468 -4.292 11.371 1.00 0.00 C ATOM 1574 CE LYS A 106 5.990 -4.142 11.437 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.556 -5.148 12.382 1.00 0.00 N ATOM 0 H LYS A 106 2.583 -4.487 9.427 1.00 0.00 H new ATOM 0 HA LYS A 106 1.347 -2.304 10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.041 -2.633 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.567 -1.197 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.508 -2.304 12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.940 -3.083 12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.133 -5.038 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.168 -4.644 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.421 -4.278 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.252 -3.135 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.590 -5.042 12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.154 -4.999 13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.319 -6.106 12.053 1.00 0.00 H new ATOM 1589 N VAL A 107 0.622 -0.945 8.791 1.00 0.00 N ATOM 1590 CA VAL A 107 0.322 -0.228 7.529 1.00 0.00 C ATOM 1591 C VAL A 107 0.937 1.166 7.614 1.00 0.00 C ATOM 1592 O VAL A 107 1.094 1.725 8.683 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.196 -0.129 7.348 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.812 -1.516 7.353 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.762 0.679 8.502 1.00 0.00 C ATOM 0 H VAL A 107 0.020 -0.730 9.586 1.00 0.00 H new ATOM 0 HA VAL A 107 0.739 -0.763 6.676 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.425 0.352 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.891 -1.435 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.392 -2.104 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.596 -2.007 8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.843 0.762 8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.530 0.181 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.320 1.675 8.500 1.00 0.00 H new ATOM 1605 N HIS A 108 1.280 1.724 6.503 1.00 0.00 N ATOM 1606 CA HIS A 108 1.889 3.085 6.505 1.00 0.00 C ATOM 1607 C HIS A 108 1.642 3.703 5.141 1.00 0.00 C ATOM 1608 O HIS A 108 2.282 3.355 4.185 1.00 0.00 O ATOM 1609 CB HIS A 108 3.394 2.967 6.757 1.00 0.00 C ATOM 1610 CG HIS A 108 3.971 4.330 7.020 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.269 4.507 7.474 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.445 5.591 6.893 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.477 5.830 7.602 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.396 6.537 7.261 1.00 0.00 N ATOM 0 H HIS A 108 1.168 1.301 5.582 1.00 0.00 H new ATOM 0 HA HIS A 108 1.451 3.705 7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.580 2.312 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.883 2.515 5.894 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.443 5.815 6.558 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.405 6.267 7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.291 7.552 7.269 1.00 0.00 H new ATOM 1622 N MET A 109 0.700 4.591 5.033 1.00 0.00 N ATOM 1623 CA MET A 109 0.396 5.187 3.694 1.00 0.00 C ATOM 1624 C MET A 109 0.767 6.675 3.699 1.00 0.00 C ATOM 1625 O MET A 109 0.634 7.343 4.704 1.00 0.00 O ATOM 1626 CB MET A 109 -1.110 5.020 3.371 1.00 0.00 C ATOM 1627 CG MET A 109 -1.787 4.018 4.338 1.00 0.00 C ATOM 1628 SD MET A 109 -2.391 4.920 5.785 1.00 0.00 S ATOM 1629 CE MET A 109 -3.976 5.447 5.093 1.00 0.00 C ATOM 0 H MET A 109 0.127 4.933 5.804 1.00 0.00 H new ATOM 0 HA MET A 109 0.980 4.673 2.931 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.608 5.987 3.440 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.227 4.673 2.344 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.612 3.510 3.838 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.077 3.249 4.642 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.521 6.030 5.835 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.801 6.059 4.208 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.562 4.570 4.818 1.00 0.00 H new ATOM 1639 N LYS A 110 1.248 7.210 2.596 1.00 0.00 N ATOM 1640 CA LYS A 110 1.627 8.663 2.605 1.00 0.00 C ATOM 1641 C LYS A 110 1.231 9.310 1.278 1.00 0.00 C ATOM 1642 O LYS A 110 0.667 8.677 0.415 1.00 0.00 O ATOM 1643 CB LYS A 110 3.143 8.772 2.804 1.00 0.00 C ATOM 1644 CG LYS A 110 3.488 9.878 3.802 1.00 0.00 C ATOM 1645 CD LYS A 110 4.233 11.001 3.078 1.00 0.00 C ATOM 1646 CE LYS A 110 3.947 12.337 3.763 1.00 0.00 C ATOM 1647 NZ LYS A 110 5.054 13.292 3.470 1.00 0.00 N ATOM 0 H LYS A 110 1.391 6.719 1.714 1.00 0.00 H new ATOM 0 HA LYS A 110 1.108 9.177 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.536 7.820 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.625 8.977 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.578 10.266 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.104 9.478 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.305 10.801 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.921 11.043 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.999 12.743 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.852 12.193 4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.860 14.201 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.951 12.904 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.124 13.437 2.443 1.00 0.00 H new ATOM 1661 N LYS A 111 1.518 10.571 1.108 1.00 0.00 N ATOM 1662 CA LYS A 111 1.151 11.247 -0.166 1.00 0.00 C ATOM 1663 C LYS A 111 2.319 11.124 -1.145 1.00 0.00 C ATOM 1664 O LYS A 111 3.317 11.808 -1.032 1.00 0.00 O ATOM 1665 CB LYS A 111 0.834 12.721 0.111 1.00 0.00 C ATOM 1666 CG LYS A 111 0.678 13.491 -1.207 1.00 0.00 C ATOM 1667 CD LYS A 111 1.825 14.494 -1.352 1.00 0.00 C ATOM 1668 CE LYS A 111 1.266 15.919 -1.338 1.00 0.00 C ATOM 1669 NZ LYS A 111 2.375 16.882 -1.088 1.00 0.00 N ATOM 0 H LYS A 111 1.989 11.160 1.794 1.00 0.00 H new ATOM 0 HA LYS A 111 0.268 10.778 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.083 12.799 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.631 13.165 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.679 12.797 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.279 14.012 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.539 14.365 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.364 14.313 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.784 16.142 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.504 16.015 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.998 17.851 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.816 16.673 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.087 16.795 -1.842 1.00 0.00 H new ATOM 1683 N ALA A 112 2.196 10.249 -2.101 1.00 0.00 N ATOM 1684 CA ALA A 112 3.285 10.056 -3.096 1.00 0.00 C ATOM 1685 C ALA A 112 3.688 11.408 -3.697 1.00 0.00 C ATOM 1686 O ALA A 112 2.871 12.292 -3.865 1.00 0.00 O ATOM 1687 CB ALA A 112 2.782 9.125 -4.197 1.00 0.00 C ATOM 0 H ALA A 112 1.379 9.653 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 112 4.157 9.617 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.570 8.974 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.503 8.165 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.913 9.570 -4.681 1.00 0.00 H new ATOM 1693 N LEU A 113 4.945 11.577 -4.015 1.00 0.00 N ATOM 1694 CA LEU A 113 5.402 12.873 -4.595 1.00 0.00 C ATOM 1695 C LEU A 113 5.351 12.817 -6.126 1.00 0.00 C ATOM 1696 O LEU A 113 5.886 13.672 -6.802 1.00 0.00 O ATOM 1697 CB LEU A 113 6.838 13.152 -4.149 1.00 0.00 C ATOM 1698 CG LEU A 113 7.008 14.648 -3.880 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.825 14.923 -2.387 1.00 0.00 C ATOM 1700 CD2 LEU A 113 8.410 15.085 -4.309 1.00 0.00 C ATOM 0 H LEU A 113 5.674 10.873 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 113 4.743 13.668 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.068 12.582 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.538 12.828 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 113 6.262 15.206 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.946 15.989 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.827 14.610 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.571 14.366 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.533 16.151 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.155 14.526 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.542 14.889 -5.373 1.00 0.00 H new ATOM 1712 N SER A 114 4.708 11.823 -6.681 1.00 0.00 N ATOM 1713 CA SER A 114 4.627 11.728 -8.161 1.00 0.00 C ATOM 1714 C SER A 114 3.477 12.603 -8.683 1.00 0.00 C ATOM 1715 O SER A 114 3.124 12.544 -9.844 1.00 0.00 O ATOM 1716 CB SER A 114 4.380 10.274 -8.565 1.00 0.00 C ATOM 1717 OG SER A 114 5.616 9.674 -8.930 1.00 0.00 O ATOM 0 H SER A 114 4.237 11.076 -6.171 1.00 0.00 H new ATOM 0 HA SER A 114 5.566 12.076 -8.592 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.926 9.727 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.680 10.230 -9.399 1.00 0.00 H new ATOM 0 HG SER A 114 5.463 8.741 -9.188 1.00 0.00 H new ATOM 1723 N GLY A 115 2.885 13.412 -7.839 1.00 0.00 N ATOM 1724 CA GLY A 115 1.765 14.277 -8.300 1.00 0.00 C ATOM 1725 C GLY A 115 0.644 14.252 -7.260 1.00 0.00 C ATOM 1726 O GLY A 115 -0.516 14.109 -7.588 1.00 0.00 O ATOM 0 H GLY A 115 3.131 13.508 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.116 15.298 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.392 13.926 -9.262 1.00 0.00 H new ATOM 1730 N ASP A 116 0.983 14.386 -6.006 1.00 0.00 N ATOM 1731 CA ASP A 116 -0.062 14.366 -4.944 1.00 0.00 C ATOM 1732 C ASP A 116 -0.832 13.045 -5.016 1.00 0.00 C ATOM 1733 O ASP A 116 -2.045 13.025 -5.088 1.00 0.00 O ATOM 1734 CB ASP A 116 -1.028 15.534 -5.151 1.00 0.00 C ATOM 1735 CG ASP A 116 -0.326 16.847 -4.799 1.00 0.00 C ATOM 1736 OD1 ASP A 116 0.690 17.135 -5.409 1.00 0.00 O ATOM 1737 OD2 ASP A 116 -0.817 17.543 -3.924 1.00 0.00 O ATOM 0 H ASP A 116 1.939 14.508 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 116 0.411 14.460 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.369 15.558 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.912 15.403 -4.527 1.00 0.00 H new ATOM 1742 N SER A 117 -0.135 11.940 -4.998 1.00 0.00 N ATOM 1743 CA SER A 117 -0.828 10.621 -5.066 1.00 0.00 C ATOM 1744 C SER A 117 -1.069 10.090 -3.649 1.00 0.00 C ATOM 1745 O SER A 117 -1.022 10.826 -2.683 1.00 0.00 O ATOM 1746 CB SER A 117 0.037 9.626 -5.840 1.00 0.00 C ATOM 1747 OG SER A 117 0.986 10.336 -6.624 1.00 0.00 O ATOM 0 H SER A 117 0.882 11.894 -4.939 1.00 0.00 H new ATOM 0 HA SER A 117 -1.784 10.745 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.548 8.957 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.589 9.005 -6.481 1.00 0.00 H new ATOM 0 HG SER A 117 1.543 9.700 -7.120 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.334 8.816 -3.524 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.596 8.219 -2.176 1.00 0.00 C ATOM 1755 C TYR A 118 -1.137 6.757 -2.190 1.00 0.00 C ATOM 1756 O TYR A 118 -1.723 5.931 -2.863 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.106 8.257 -1.892 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.686 9.559 -2.359 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.458 10.736 -1.643 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.454 9.580 -3.521 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.003 11.939 -2.095 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.999 10.776 -3.976 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.775 11.961 -3.264 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.313 13.150 -3.714 1.00 0.00 O ATOM 0 H TYR A 118 -1.381 8.157 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.059 8.780 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.600 7.428 -2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.286 8.132 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.862 10.716 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.627 8.666 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.830 12.852 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.594 10.791 -4.877 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.214 12.990 -4.064 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.097 6.417 -1.470 1.00 0.00 N ATOM 1775 CA TRP A 119 0.358 5.001 -1.485 1.00 0.00 C ATOM 1776 C TRP A 119 0.250 4.360 -0.106 1.00 0.00 C ATOM 1777 O TRP A 119 0.439 4.991 0.904 1.00 0.00 O ATOM 1778 CB TRP A 119 1.780 4.902 -2.048 1.00 0.00 C ATOM 1779 CG TRP A 119 2.721 5.848 -1.384 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.260 6.941 -1.946 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.288 5.747 -0.074 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.116 7.538 -1.036 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.169 6.823 0.141 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.104 4.825 0.930 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.861 6.966 1.341 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.797 4.946 2.145 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.680 6.014 2.348 1.00 0.00 C ATOM 0 H TRP A 119 0.446 7.050 -0.883 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.305 4.439 -2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.146 3.883 -1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.759 5.106 -3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.059 7.297 -2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.639 8.395 -1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.421 4.001 0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.529 7.801 1.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.649 4.214 2.925 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.219 6.102 3.280 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.081 3.090 -0.073 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.227 2.375 1.227 1.00 0.00 C ATOM 1800 C VAL A 120 0.745 1.190 1.284 1.00 0.00 C ATOM 1801 O VAL A 120 0.627 0.235 0.543 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.667 1.858 1.375 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.884 1.372 2.809 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.648 2.991 1.065 1.00 0.00 C ATOM 0 H VAL A 120 -0.257 2.518 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.002 3.067 2.039 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.834 1.034 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.904 1.004 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.183 0.567 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.720 2.197 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.670 2.626 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.484 3.815 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.490 3.340 0.045 1.00 0.00 H new ATOM 1814 N PHE A 121 1.696 1.248 2.175 1.00 0.00 N ATOM 1815 CA PHE A 121 2.677 0.135 2.317 1.00 0.00 C ATOM 1816 C PHE A 121 2.206 -0.795 3.414 1.00 0.00 C ATOM 1817 O PHE A 121 2.025 -0.390 4.544 1.00 0.00 O ATOM 1818 CB PHE A 121 4.067 0.683 2.705 1.00 0.00 C ATOM 1819 CG PHE A 121 4.532 1.711 1.686 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.967 1.752 0.401 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.535 2.623 2.030 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.401 2.700 -0.530 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.967 3.576 1.094 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.399 3.613 -0.182 1.00 0.00 C ATOM 0 H PHE A 121 1.837 2.027 2.818 1.00 0.00 H new ATOM 0 HA PHE A 121 2.752 -0.391 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.023 1.136 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.785 -0.135 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.194 1.048 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 121 5.977 2.594 3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.965 2.726 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.740 4.282 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.732 4.348 -0.900 1.00 0.00 H new ATOM 1834 N VAL A 122 2.008 -2.038 3.105 1.00 0.00 N ATOM 1835 CA VAL A 122 1.569 -2.971 4.156 1.00 0.00 C ATOM 1836 C VAL A 122 2.739 -3.876 4.517 1.00 0.00 C ATOM 1837 O VAL A 122 3.177 -4.707 3.748 1.00 0.00 O ATOM 1838 CB VAL A 122 0.345 -3.771 3.671 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.374 -5.223 4.176 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.909 -3.095 4.206 1.00 0.00 C ATOM 0 H VAL A 122 2.131 -2.443 2.177 1.00 0.00 H new ATOM 0 HA VAL A 122 1.262 -2.429 5.050 1.00 0.00 H new ATOM 0 HB VAL A 122 0.357 -3.792 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.506 -5.753 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.273 -5.718 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.376 -5.229 5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.789 -3.646 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.879 -3.082 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.959 -2.072 3.832 1.00 0.00 H new ATOM 1850 N LYS A 123 3.215 -3.717 5.698 1.00 0.00 N ATOM 1851 CA LYS A 123 4.336 -4.552 6.183 1.00 0.00 C ATOM 1852 C LYS A 123 3.735 -5.797 6.830 1.00 0.00 C ATOM 1853 O LYS A 123 2.892 -5.704 7.693 1.00 0.00 O ATOM 1854 CB LYS A 123 5.143 -3.748 7.208 1.00 0.00 C ATOM 1855 CG LYS A 123 6.574 -4.282 7.278 1.00 0.00 C ATOM 1856 CD LYS A 123 7.292 -4.019 5.953 1.00 0.00 C ATOM 1857 CE LYS A 123 8.782 -3.790 6.216 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.388 -5.027 6.785 1.00 0.00 N ATOM 0 H LYS A 123 2.872 -3.030 6.369 1.00 0.00 H new ATOM 0 HA LYS A 123 5.001 -4.843 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.152 -2.694 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.672 -3.816 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.112 -3.801 8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.563 -5.351 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.157 -4.865 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.861 -3.148 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.287 -3.519 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.915 -2.957 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.292 -5.221 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.554 -4.896 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.742 -5.829 6.640 1.00 0.00 H new ATOM 1872 N ARG A 124 4.125 -6.963 6.406 1.00 0.00 N ATOM 1873 CA ARG A 124 3.526 -8.186 7.006 1.00 0.00 C ATOM 1874 C ARG A 124 4.099 -8.399 8.406 1.00 0.00 C ATOM 1875 O ARG A 124 5.294 -8.479 8.606 1.00 0.00 O ATOM 1876 CB ARG A 124 3.815 -9.400 6.108 1.00 0.00 C ATOM 1877 CG ARG A 124 3.342 -10.686 6.791 1.00 0.00 C ATOM 1878 CD ARG A 124 2.909 -11.698 5.728 1.00 0.00 C ATOM 1879 NE ARG A 124 2.315 -12.891 6.389 1.00 0.00 N ATOM 1880 CZ ARG A 124 1.594 -13.727 5.696 1.00 0.00 C ATOM 1881 NH1 ARG A 124 0.337 -13.467 5.463 1.00 0.00 N ATOM 1882 NH2 ARG A 124 2.131 -14.822 5.232 1.00 0.00 N ATOM 0 H ARG A 124 4.823 -7.123 5.680 1.00 0.00 H new ATOM 0 HA ARG A 124 2.446 -8.066 7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.310 -9.281 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.883 -9.462 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.144 -11.103 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.511 -10.470 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.183 -11.244 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.766 -11.994 5.122 1.00 0.00 H new ATOM 0 HE ARG A 124 2.472 -13.055 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.082 -12.609 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -0.227 -14.121 4.921 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.115 -15.023 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.567 -15.476 4.690 1.00 0.00 H new ATOM 1896 N VAL A 125 3.234 -8.475 9.375 1.00 0.00 N ATOM 1897 CA VAL A 125 3.676 -8.668 10.779 1.00 0.00 C ATOM 1898 C VAL A 125 4.008 -10.142 11.017 1.00 0.00 C ATOM 1899 O VAL A 125 3.082 -10.917 11.190 1.00 0.00 O ATOM 1900 CB VAL A 125 2.540 -8.244 11.710 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.022 -8.274 13.148 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.091 -6.825 11.368 1.00 0.00 C ATOM 1903 OXT VAL A 125 5.184 -10.470 11.024 1.00 0.00 O ATOM 0 H VAL A 125 2.224 -8.410 9.250 1.00 0.00 H new ATOM 0 HA VAL A 125 4.565 -8.068 10.974 1.00 0.00 H new ATOM 0 HB VAL A 125 1.704 -8.933 11.585 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.211 -7.971 13.810 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.341 -9.284 13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 125 3.861 -7.588 13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.281 -6.529 12.035 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.930 -6.139 11.488 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.741 -6.793 10.336 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -9.061 -5.522 3.388 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.895 -6.405 3.334 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.759 -5.533 2.623 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.514 -6.555 1.855 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -6.239 -6.657 1.076 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -6.015 -7.805 0.297 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -4.818 -7.930 -0.419 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.848 -6.906 -0.357 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -4.077 -5.752 0.418 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -5.276 -5.629 1.138 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.802 -7.022 -0.975 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.462 -4.742 1.743 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.329 -4.960 0.458 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -4.635 -8.818 -1.024 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -8.252 -7.353 1.777 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -6.767 -8.592 0.250 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -7.048 -4.712 2.711 1.00 0.00 H new