USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 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 Set 1.1: A 30 ASN : amide:sc= -0.358 K(o=0.28,f=-3.7!) USER MOD Set 1.2: A 32 SER OG : rot 11:sc= 0.641 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 8 THR OG1 : rot -169:sc= -0.513 USER MOD Single : A 19 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.6!) USER MOD Single : A 21 THR OG1 : rot -84:sc= 1.21 USER MOD Single : A 22 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.069) USER MOD Single : A 23 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.8!) USER MOD Single : A 24 GLN : amide:sc= -2.55! C(o=-2.6!,f=-7!) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0954) USER MOD Single : A 33 MET CE :methyl -120:sc= -0.0901 (180deg=-1.27) USER MOD Single : A 36 SER OG : rot 180:sc= -0.428 USER MOD Single : A 38 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.3! USER MOD Single : A 43 MET CE :methyl -152:sc= -0.396 (180deg=-2.15) USER MOD Single : A 44 TYR OH : rot 70:sc= -0.274 USER MOD Single : A 50 SER OG : rot -44:sc= 0.844 USER MOD Single : A 53 ASN : amide:sc= -1.35! C(o=-1.4!,f=-0.64!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.062 (180deg=-0.504) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.41! C(o=-1.4!,f=-1.7!) USER MOD Single : A 66 MET CE :methyl -169:sc= -0.673 (180deg=-1.08) USER MOD Single : A 68 SER OG : rot 71:sc= 0.477 USER MOD Single : A 73 HIS : no HE2:sc= -4.55! C(o=-4.6!,f=-5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.132 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -35:sc= 0.472 USER MOD Single : A 84 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-5.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -134:sc= -1.46! (180deg=-3.16!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 97 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0549) USER MOD Single : A 102 HIS : no HD1:sc= -2.93 X(o=-2.9,f=-2.9) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= -0.0333 (180deg=-0.395) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.815 6.067 4.426 1.00 0.00 N ATOM 58 CA PRO A 5 17.522 6.887 3.217 1.00 0.00 C ATOM 59 C PRO A 5 16.229 6.428 2.512 1.00 0.00 C ATOM 60 O PRO A 5 15.708 5.369 2.798 1.00 0.00 O ATOM 61 CB PRO A 5 18.772 6.656 2.339 1.00 0.00 C ATOM 62 CG PRO A 5 19.668 5.610 3.033 1.00 0.00 C ATOM 63 CD PRO A 5 19.145 5.397 4.463 1.00 0.00 C ATOM 0 HA PRO A 5 17.345 7.939 3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.480 6.308 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.317 7.590 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.653 4.671 2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.703 5.951 3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.059 4.339 4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.804 5.845 5.207 1.00 0.00 H new ATOM 71 N PRO A 6 15.710 7.225 1.605 1.00 0.00 N ATOM 72 CA PRO A 6 14.453 6.866 0.882 1.00 0.00 C ATOM 73 C PRO A 6 14.567 5.547 0.100 1.00 0.00 C ATOM 74 O PRO A 6 13.722 4.680 0.197 1.00 0.00 O ATOM 75 CB PRO A 6 14.266 8.065 -0.073 1.00 0.00 C ATOM 76 CG PRO A 6 15.534 8.938 -0.010 1.00 0.00 C ATOM 77 CD PRO A 6 16.332 8.530 1.237 1.00 0.00 C ATOM 0 HA PRO A 6 13.616 6.699 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.096 7.716 -1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.390 8.647 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.136 8.801 -0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.267 9.994 0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.396 8.426 1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.238 9.264 2.037 1.00 0.00 H new ATOM 85 N SER A 7 15.595 5.405 -0.685 1.00 0.00 N ATOM 86 CA SER A 7 15.758 4.162 -1.491 1.00 0.00 C ATOM 87 C SER A 7 15.889 2.942 -0.575 1.00 0.00 C ATOM 88 O SER A 7 15.364 1.884 -0.862 1.00 0.00 O ATOM 89 CB SER A 7 17.009 4.283 -2.359 1.00 0.00 C ATOM 90 OG SER A 7 18.163 4.231 -1.531 1.00 0.00 O ATOM 0 H SER A 7 16.334 6.098 -0.805 1.00 0.00 H new ATOM 0 HA SER A 7 14.879 4.033 -2.122 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.037 3.476 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.989 5.219 -2.917 1.00 0.00 H new ATOM 0 HG SER A 7 18.967 4.307 -2.086 1.00 0.00 H new ATOM 96 N THR A 8 16.589 3.070 0.517 1.00 0.00 N ATOM 97 CA THR A 8 16.751 1.901 1.432 1.00 0.00 C ATOM 98 C THR A 8 15.410 1.550 2.082 1.00 0.00 C ATOM 99 O THR A 8 15.070 0.394 2.232 1.00 0.00 O ATOM 100 CB THR A 8 17.777 2.237 2.515 1.00 0.00 C ATOM 101 OG1 THR A 8 19.032 2.500 1.905 1.00 0.00 O ATOM 102 CG2 THR A 8 17.911 1.060 3.482 1.00 0.00 C ATOM 0 H THR A 8 17.054 3.927 0.816 1.00 0.00 H new ATOM 0 HA THR A 8 17.098 1.044 0.855 1.00 0.00 H new ATOM 0 HB THR A 8 17.448 3.117 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.728 2.544 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.643 1.303 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.946 0.861 3.948 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.239 0.176 2.936 1.00 0.00 H new ATOM 110 N ALA A 9 14.643 2.532 2.464 1.00 0.00 N ATOM 111 CA ALA A 9 13.326 2.241 3.096 1.00 0.00 C ATOM 112 C ALA A 9 12.442 1.491 2.100 1.00 0.00 C ATOM 113 O ALA A 9 11.766 0.541 2.442 1.00 0.00 O ATOM 114 CB ALA A 9 12.644 3.558 3.479 1.00 0.00 C ATOM 0 H ALA A 9 14.870 3.522 2.366 1.00 0.00 H new ATOM 0 HA ALA A 9 13.476 1.632 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.680 3.347 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.273 4.102 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.493 4.163 2.585 1.00 0.00 H new ATOM 120 N LEU A 10 12.435 1.923 0.871 1.00 0.00 N ATOM 121 CA LEU A 10 11.589 1.257 -0.157 1.00 0.00 C ATOM 122 C LEU A 10 12.003 -0.211 -0.306 1.00 0.00 C ATOM 123 O LEU A 10 11.176 -1.101 -0.295 1.00 0.00 O ATOM 124 CB LEU A 10 11.770 1.978 -1.496 1.00 0.00 C ATOM 125 CG LEU A 10 10.878 1.340 -2.575 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.395 1.611 -2.270 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.245 1.943 -3.929 1.00 0.00 C ATOM 0 H LEU A 10 12.983 2.714 0.532 1.00 0.00 H new ATOM 0 HA LEU A 10 10.544 1.300 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.519 3.033 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.815 1.930 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 10 11.036 0.262 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.775 1.154 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.139 1.185 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.218 2.686 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.621 1.501 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.083 3.021 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.293 1.739 -4.146 1.00 0.00 H new ATOM 139 N ARG A 11 13.273 -0.471 -0.462 1.00 0.00 N ATOM 140 CA ARG A 11 13.723 -1.881 -0.632 1.00 0.00 C ATOM 141 C ARG A 11 13.318 -2.680 0.605 1.00 0.00 C ATOM 142 O ARG A 11 12.862 -3.803 0.511 1.00 0.00 O ATOM 143 CB ARG A 11 15.250 -1.907 -0.780 1.00 0.00 C ATOM 144 CG ARG A 11 15.675 -1.223 -2.096 1.00 0.00 C ATOM 145 CD ARG A 11 15.630 -2.224 -3.258 1.00 0.00 C ATOM 146 NE ARG A 11 16.651 -3.305 -3.039 1.00 0.00 N ATOM 147 CZ ARG A 11 17.926 -3.038 -2.922 1.00 0.00 C ATOM 148 NH1 ARG A 11 18.380 -1.839 -3.167 1.00 0.00 N ATOM 149 NH2 ARG A 11 18.760 -3.991 -2.606 1.00 0.00 N ATOM 0 H ARG A 11 14.015 0.229 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 11 13.264 -2.317 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.712 -1.400 0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.605 -2.937 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.014 -0.382 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.682 -0.819 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.635 -2.661 -3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.826 -1.711 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 11 16.341 -4.275 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.738 -1.099 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.376 -1.642 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.416 -4.939 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.755 -3.788 -2.514 1.00 0.00 H new ATOM 163 N GLU A 12 13.463 -2.100 1.761 1.00 0.00 N ATOM 164 CA GLU A 12 13.069 -2.811 3.006 1.00 0.00 C ATOM 165 C GLU A 12 11.560 -3.063 2.990 1.00 0.00 C ATOM 166 O GLU A 12 11.087 -4.108 3.392 1.00 0.00 O ATOM 167 CB GLU A 12 13.433 -1.945 4.214 1.00 0.00 C ATOM 168 CG GLU A 12 14.954 -1.897 4.369 1.00 0.00 C ATOM 169 CD GLU A 12 15.463 -3.267 4.823 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.838 -3.849 5.695 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.468 -3.710 4.293 1.00 0.00 O ATOM 0 H GLU A 12 13.838 -1.162 1.898 1.00 0.00 H new ATOM 0 HA GLU A 12 13.593 -3.765 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.038 -0.937 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.978 -2.352 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.418 -1.620 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.232 -1.134 5.096 1.00 0.00 H new ATOM 178 N LEU A 13 10.799 -2.107 2.530 1.00 0.00 N ATOM 179 CA LEU A 13 9.320 -2.282 2.492 1.00 0.00 C ATOM 180 C LEU A 13 8.940 -3.319 1.427 1.00 0.00 C ATOM 181 O LEU A 13 8.085 -4.152 1.643 1.00 0.00 O ATOM 182 CB LEU A 13 8.670 -0.928 2.169 1.00 0.00 C ATOM 183 CG LEU A 13 7.142 -1.063 2.083 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.578 -1.580 3.414 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.540 0.314 1.777 1.00 0.00 C ATOM 0 H LEU A 13 11.139 -1.212 2.179 1.00 0.00 H new ATOM 0 HA LEU A 13 8.966 -2.637 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.933 -0.201 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.060 -0.548 1.224 1.00 0.00 H new ATOM 0 HG LEU A 13 6.886 -1.771 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.494 -1.671 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.009 -2.556 3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.829 -0.881 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.455 0.231 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.805 1.012 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.932 0.680 0.828 1.00 0.00 H new ATOM 197 N ILE A 14 9.567 -3.279 0.283 1.00 0.00 N ATOM 198 CA ILE A 14 9.231 -4.269 -0.784 1.00 0.00 C ATOM 199 C ILE A 14 9.544 -5.690 -0.300 1.00 0.00 C ATOM 200 O ILE A 14 8.765 -6.604 -0.485 1.00 0.00 O ATOM 201 CB ILE A 14 10.053 -3.966 -2.045 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.553 -2.664 -2.677 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.895 -5.110 -3.055 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.531 -2.217 -3.765 1.00 0.00 C ATOM 0 H ILE A 14 10.295 -2.607 0.040 1.00 0.00 H new ATOM 0 HA ILE A 14 8.168 -4.196 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 14 11.104 -3.865 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.561 -2.812 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.461 -1.890 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.480 -4.890 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.248 -6.040 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.844 -5.214 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.176 -1.290 -4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.515 -2.053 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.601 -2.989 -4.531 1.00 0.00 H new ATOM 216 N GLU A 15 10.690 -5.886 0.290 1.00 0.00 N ATOM 217 CA GLU A 15 11.068 -7.252 0.754 1.00 0.00 C ATOM 218 C GLU A 15 10.055 -7.773 1.777 1.00 0.00 C ATOM 219 O GLU A 15 9.698 -8.934 1.765 1.00 0.00 O ATOM 220 CB GLU A 15 12.455 -7.199 1.398 1.00 0.00 C ATOM 221 CG GLU A 15 13.508 -6.908 0.326 1.00 0.00 C ATOM 222 CD GLU A 15 13.642 -8.113 -0.606 1.00 0.00 C ATOM 223 OE1 GLU A 15 13.246 -9.195 -0.205 1.00 0.00 O ATOM 224 OE2 GLU A 15 14.139 -7.933 -1.706 1.00 0.00 O ATOM 0 H GLU A 15 11.382 -5.159 0.472 1.00 0.00 H new ATOM 0 HA GLU A 15 11.078 -7.925 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.481 -6.427 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.675 -8.146 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.225 -6.024 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.468 -6.690 0.795 1.00 0.00 H new ATOM 231 N GLU A 16 9.594 -6.939 2.668 1.00 0.00 N ATOM 232 CA GLU A 16 8.616 -7.422 3.684 1.00 0.00 C ATOM 233 C GLU A 16 7.273 -7.719 3.010 1.00 0.00 C ATOM 234 O GLU A 16 6.618 -8.692 3.322 1.00 0.00 O ATOM 235 CB GLU A 16 8.428 -6.352 4.764 1.00 0.00 C ATOM 236 CG GLU A 16 7.549 -6.898 5.896 1.00 0.00 C ATOM 237 CD GLU A 16 8.280 -8.031 6.621 1.00 0.00 C ATOM 238 OE1 GLU A 16 9.479 -8.154 6.431 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.629 -8.754 7.357 1.00 0.00 O ATOM 0 H GLU A 16 9.849 -5.954 2.737 1.00 0.00 H new ATOM 0 HA GLU A 16 8.995 -8.335 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.397 -6.048 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.968 -5.464 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.308 -6.100 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.605 -7.262 5.492 1.00 0.00 H new ATOM 246 N LEU A 17 6.857 -6.894 2.085 1.00 0.00 N ATOM 247 CA LEU A 17 5.557 -7.145 1.396 1.00 0.00 C ATOM 248 C LEU A 17 5.607 -8.500 0.690 1.00 0.00 C ATOM 249 O LEU A 17 4.687 -9.288 0.765 1.00 0.00 O ATOM 250 CB LEU A 17 5.304 -6.048 0.355 1.00 0.00 C ATOM 251 CG LEU A 17 5.004 -4.713 1.051 1.00 0.00 C ATOM 252 CD1 LEU A 17 5.004 -3.595 0.003 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.630 -4.766 1.755 1.00 0.00 C ATOM 0 H LEU A 17 7.359 -6.061 1.778 1.00 0.00 H new ATOM 0 HA LEU A 17 4.755 -7.142 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.176 -5.942 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.467 -6.329 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 17 5.770 -4.521 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.792 -2.642 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.981 -3.548 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.240 -3.799 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.434 -3.811 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.851 -4.964 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.634 -5.561 2.501 1.00 0.00 H new ATOM 265 N VAL A 18 6.677 -8.769 0.000 1.00 0.00 N ATOM 266 CA VAL A 18 6.802 -10.064 -0.725 1.00 0.00 C ATOM 267 C VAL A 18 6.835 -11.222 0.279 1.00 0.00 C ATOM 268 O VAL A 18 6.261 -12.268 0.055 1.00 0.00 O ATOM 269 CB VAL A 18 8.096 -10.050 -1.543 1.00 0.00 C ATOM 270 CG1 VAL A 18 8.334 -11.426 -2.164 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.981 -9.001 -2.652 1.00 0.00 C ATOM 0 H VAL A 18 7.477 -8.144 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 18 5.947 -10.199 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 18 8.933 -9.804 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.256 -11.409 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.417 -12.172 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.499 -11.680 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.901 -8.988 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.141 -9.249 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.819 -8.019 -2.208 1.00 0.00 H new ATOM 281 N ASN A 19 7.518 -11.044 1.376 1.00 0.00 N ATOM 282 CA ASN A 19 7.612 -12.133 2.394 1.00 0.00 C ATOM 283 C ASN A 19 6.224 -12.522 2.924 1.00 0.00 C ATOM 284 O ASN A 19 5.922 -13.687 3.090 1.00 0.00 O ATOM 285 CB ASN A 19 8.463 -11.641 3.570 1.00 0.00 C ATOM 286 CG ASN A 19 9.932 -11.554 3.152 1.00 0.00 C ATOM 287 OD1 ASN A 19 10.384 -12.310 2.316 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.699 -10.654 3.703 1.00 0.00 N ATOM 0 H ASN A 19 8.018 -10.187 1.614 1.00 0.00 H new ATOM 0 HA ASN A 19 8.063 -13.006 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.112 -10.663 3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.357 -12.320 4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.680 -10.585 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.318 -10.020 4.405 1.00 0.00 H new ATOM 295 N ILE A 20 5.394 -11.562 3.228 1.00 0.00 N ATOM 296 CA ILE A 20 4.047 -11.889 3.792 1.00 0.00 C ATOM 297 C ILE A 20 3.052 -12.317 2.702 1.00 0.00 C ATOM 298 O ILE A 20 2.058 -12.952 2.993 1.00 0.00 O ATOM 299 CB ILE A 20 3.506 -10.668 4.546 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.346 -9.478 3.593 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.487 -10.288 5.657 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.582 -8.360 4.305 1.00 0.00 C ATOM 0 H ILE A 20 5.587 -10.567 3.112 1.00 0.00 H new ATOM 0 HA ILE A 20 4.162 -12.732 4.473 1.00 0.00 H new ATOM 0 HB ILE A 20 2.533 -10.918 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.324 -9.119 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.810 -9.786 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.107 -9.420 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.597 -11.125 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.456 -10.048 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.466 -7.512 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.599 -8.724 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.136 -8.047 5.190 1.00 0.00 H new ATOM 314 N THR A 21 3.282 -11.966 1.459 1.00 0.00 N ATOM 315 CA THR A 21 2.306 -12.350 0.382 1.00 0.00 C ATOM 316 C THR A 21 2.758 -13.629 -0.328 1.00 0.00 C ATOM 317 O THR A 21 1.986 -14.266 -1.017 1.00 0.00 O ATOM 318 CB THR A 21 2.204 -11.214 -0.647 1.00 0.00 C ATOM 319 OG1 THR A 21 3.503 -10.907 -1.135 1.00 0.00 O ATOM 320 CG2 THR A 21 1.589 -9.962 -0.006 1.00 0.00 C ATOM 0 H THR A 21 4.094 -11.436 1.143 1.00 0.00 H new ATOM 0 HA THR A 21 1.334 -12.527 0.844 1.00 0.00 H new ATOM 0 HB THR A 21 1.564 -11.536 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.948 -10.291 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.524 -9.167 -0.749 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.590 -10.196 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.215 -9.633 0.823 1.00 0.00 H new ATOM 328 N GLN A 22 3.989 -14.021 -0.168 1.00 0.00 N ATOM 329 CA GLN A 22 4.460 -15.268 -0.840 1.00 0.00 C ATOM 330 C GLN A 22 3.899 -16.496 -0.116 1.00 0.00 C ATOM 331 O GLN A 22 3.540 -17.480 -0.731 1.00 0.00 O ATOM 332 CB GLN A 22 5.995 -15.315 -0.823 1.00 0.00 C ATOM 333 CG GLN A 22 6.554 -14.407 -1.925 1.00 0.00 C ATOM 334 CD GLN A 22 6.436 -15.112 -3.279 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.769 -14.630 -4.173 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.064 -16.241 -3.468 1.00 0.00 N ATOM 0 H GLN A 22 4.688 -13.537 0.395 1.00 0.00 H new ATOM 0 HA GLN A 22 4.109 -15.271 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.367 -14.993 0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.338 -16.339 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.008 -13.464 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.597 -14.167 -1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.624 -16.645 -2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.995 -16.719 -4.366 1.00 0.00 H new ATOM 345 N ASN A 23 3.845 -16.455 1.188 1.00 0.00 N ATOM 346 CA ASN A 23 3.335 -17.629 1.964 1.00 0.00 C ATOM 347 C ASN A 23 1.863 -17.432 2.341 1.00 0.00 C ATOM 348 O ASN A 23 1.325 -18.173 3.140 1.00 0.00 O ATOM 349 CB ASN A 23 4.152 -17.769 3.248 1.00 0.00 C ATOM 350 CG ASN A 23 5.575 -18.210 2.908 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.823 -18.738 1.843 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.528 -18.010 3.777 1.00 0.00 N ATOM 0 H ASN A 23 4.133 -15.657 1.754 1.00 0.00 H new ATOM 0 HA ASN A 23 3.428 -18.522 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.173 -16.819 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.684 -18.497 3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.483 -18.297 3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.318 -17.566 4.671 1.00 0.00 H new ATOM 359 N GLN A 24 1.202 -16.442 1.801 1.00 0.00 N ATOM 360 CA GLN A 24 -0.228 -16.232 2.179 1.00 0.00 C ATOM 361 C GLN A 24 -1.128 -17.200 1.402 1.00 0.00 C ATOM 362 O GLN A 24 -1.110 -17.248 0.187 1.00 0.00 O ATOM 363 CB GLN A 24 -0.638 -14.770 1.894 1.00 0.00 C ATOM 364 CG GLN A 24 -0.949 -14.559 0.403 1.00 0.00 C ATOM 365 CD GLN A 24 -1.105 -13.063 0.122 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.120 -12.260 1.034 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.221 -12.652 -1.111 1.00 0.00 N ATOM 0 H GLN A 24 1.582 -15.779 1.125 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.346 -16.429 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.513 -14.512 2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.165 -14.099 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.148 -14.973 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.863 -15.088 0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.208 -13.326 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.324 -11.657 -1.309 1.00 0.00 H new ATOM 376 N LYS A 25 -1.928 -17.961 2.100 1.00 0.00 N ATOM 377 CA LYS A 25 -2.854 -18.910 1.418 1.00 0.00 C ATOM 378 C LYS A 25 -4.151 -18.163 1.118 1.00 0.00 C ATOM 379 O LYS A 25 -4.393 -17.730 0.009 1.00 0.00 O ATOM 380 CB LYS A 25 -3.145 -20.100 2.338 1.00 0.00 C ATOM 381 CG LYS A 25 -4.084 -21.083 1.631 1.00 0.00 C ATOM 382 CD LYS A 25 -4.373 -22.269 2.552 1.00 0.00 C ATOM 383 CE LYS A 25 -5.310 -23.249 1.843 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.691 -22.689 1.823 1.00 0.00 N ATOM 0 H LYS A 25 -1.980 -17.966 3.119 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.406 -19.283 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.215 -20.600 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.599 -19.752 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.015 -20.583 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.630 -21.432 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.443 -22.769 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.828 -21.921 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.964 -23.428 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.303 -24.211 2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.359 -23.424 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.949 -22.367 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.730 -21.885 1.164 1.00 0.00 H new ATOM 398 N ALA A 26 -4.976 -17.990 2.113 1.00 0.00 N ATOM 399 CA ALA A 26 -6.249 -17.250 1.911 1.00 0.00 C ATOM 400 C ALA A 26 -5.921 -15.747 1.901 1.00 0.00 C ATOM 401 O ALA A 26 -4.887 -15.341 2.391 1.00 0.00 O ATOM 402 CB ALA A 26 -7.214 -17.590 3.067 1.00 0.00 C ATOM 0 H ALA A 26 -4.821 -18.332 3.061 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.725 -17.527 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.152 -17.052 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.409 -18.662 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.764 -17.296 4.015 1.00 0.00 H new ATOM 408 N PRO A 27 -6.780 -14.920 1.355 1.00 0.00 N ATOM 409 CA PRO A 27 -6.507 -13.458 1.323 1.00 0.00 C ATOM 410 C PRO A 27 -6.012 -12.932 2.681 1.00 0.00 C ATOM 411 O PRO A 27 -6.152 -13.582 3.698 1.00 0.00 O ATOM 412 CB PRO A 27 -7.885 -12.878 0.950 1.00 0.00 C ATOM 413 CG PRO A 27 -8.776 -14.033 0.443 1.00 0.00 C ATOM 414 CD PRO A 27 -8.061 -15.367 0.739 1.00 0.00 C ATOM 0 HA PRO A 27 -5.714 -13.181 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.342 -12.398 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.780 -12.114 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.748 -14.006 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.958 -13.930 -0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.639 -15.995 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.894 -15.947 -0.168 1.00 0.00 H new ATOM 422 N LEU A 28 -5.431 -11.763 2.699 1.00 0.00 N ATOM 423 CA LEU A 28 -4.925 -11.199 3.985 1.00 0.00 C ATOM 424 C LEU A 28 -6.109 -10.834 4.881 1.00 0.00 C ATOM 425 O LEU A 28 -5.940 -10.419 6.011 1.00 0.00 O ATOM 426 CB LEU A 28 -4.101 -9.938 3.706 1.00 0.00 C ATOM 427 CG LEU A 28 -2.900 -10.272 2.810 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.246 -8.968 2.347 1.00 0.00 C ATOM 429 CD2 LEU A 28 -1.871 -11.112 3.588 1.00 0.00 C ATOM 0 H LEU A 28 -5.284 -11.174 1.879 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.300 -11.941 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.726 -9.187 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.754 -9.507 4.645 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.243 -10.846 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.392 -9.196 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.970 -8.377 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.910 -8.401 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.025 -11.342 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.523 -10.550 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.336 -12.040 3.921 1.00 0.00 H new ATOM 441 N CYS A 29 -7.307 -10.980 4.384 1.00 0.00 N ATOM 442 CA CYS A 29 -8.510 -10.638 5.199 1.00 0.00 C ATOM 443 C CYS A 29 -9.644 -11.599 4.845 1.00 0.00 C ATOM 444 O CYS A 29 -9.509 -12.433 3.972 1.00 0.00 O ATOM 445 CB CYS A 29 -8.946 -9.205 4.882 1.00 0.00 C ATOM 446 SG CYS A 29 -7.637 -8.053 5.365 1.00 0.00 S ATOM 0 H CYS A 29 -7.506 -11.323 3.444 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.272 -10.722 6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.158 -9.105 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.868 -8.968 5.414 1.00 0.00 H new ATOM 451 N ASN A 30 -10.761 -11.491 5.511 1.00 0.00 N ATOM 452 CA ASN A 30 -11.899 -12.397 5.203 1.00 0.00 C ATOM 453 C ASN A 30 -12.438 -12.079 3.806 1.00 0.00 C ATOM 454 O ASN A 30 -13.631 -12.030 3.586 1.00 0.00 O ATOM 455 CB ASN A 30 -13.003 -12.196 6.242 1.00 0.00 C ATOM 456 CG ASN A 30 -13.326 -10.707 6.368 1.00 0.00 C ATOM 457 OD1 ASN A 30 -13.444 -10.012 5.378 1.00 0.00 O ATOM 458 ND2 ASN A 30 -13.470 -10.183 7.555 1.00 0.00 N ATOM 0 H ASN A 30 -10.933 -10.814 6.255 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.562 -13.433 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.896 -12.748 5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.685 -12.592 7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.682 -9.190 7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.371 -10.767 8.386 1.00 0.00 H new ATOM 465 N GLY A 31 -11.565 -11.859 2.860 1.00 0.00 N ATOM 466 CA GLY A 31 -12.024 -11.540 1.480 1.00 0.00 C ATOM 467 C GLY A 31 -12.419 -10.065 1.399 1.00 0.00 C ATOM 468 O GLY A 31 -13.150 -9.657 0.519 1.00 0.00 O ATOM 0 H GLY A 31 -10.553 -11.887 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.231 -11.754 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.873 -12.169 1.214 1.00 0.00 H new ATOM 472 N SER A 32 -11.941 -9.260 2.310 1.00 0.00 N ATOM 473 CA SER A 32 -12.294 -7.814 2.276 1.00 0.00 C ATOM 474 C SER A 32 -11.767 -7.195 0.983 1.00 0.00 C ATOM 475 O SER A 32 -10.750 -7.607 0.453 1.00 0.00 O ATOM 476 CB SER A 32 -11.671 -7.099 3.476 1.00 0.00 C ATOM 477 OG SER A 32 -12.167 -7.678 4.676 1.00 0.00 O ATOM 0 H SER A 32 -11.324 -9.541 3.072 1.00 0.00 H new ATOM 0 HA SER A 32 -13.378 -7.706 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.585 -7.182 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.910 -6.036 3.445 1.00 0.00 H new ATOM 0 HG SER A 32 -12.650 -8.504 4.465 1.00 0.00 H new ATOM 483 N MET A 33 -12.460 -6.210 0.469 1.00 0.00 N ATOM 484 CA MET A 33 -12.027 -5.542 -0.797 1.00 0.00 C ATOM 485 C MET A 33 -11.754 -4.065 -0.513 1.00 0.00 C ATOM 486 O MET A 33 -12.202 -3.525 0.479 1.00 0.00 O ATOM 487 CB MET A 33 -13.138 -5.669 -1.845 1.00 0.00 C ATOM 488 CG MET A 33 -13.513 -7.152 -2.039 1.00 0.00 C ATOM 489 SD MET A 33 -14.038 -7.433 -3.753 1.00 0.00 S ATOM 490 CE MET A 33 -15.591 -6.500 -3.715 1.00 0.00 C ATOM 0 H MET A 33 -13.317 -5.836 0.877 1.00 0.00 H new ATOM 0 HA MET A 33 -11.121 -6.015 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.014 -5.102 -1.529 1.00 0.00 H new ATOM 0 HB3 MET A 33 -12.807 -5.242 -2.792 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.659 -7.787 -1.802 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.315 -7.427 -1.354 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.422 -7.167 -3.946 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.734 -6.072 -2.723 1.00 0.00 H new ATOM 0 HE3 MET A 33 -15.552 -5.699 -4.453 1.00 0.00 H new ATOM 500 N VAL A 34 -11.013 -3.410 -1.373 1.00 0.00 N ATOM 501 CA VAL A 34 -10.690 -1.962 -1.161 1.00 0.00 C ATOM 502 C VAL A 34 -10.992 -1.171 -2.434 1.00 0.00 C ATOM 503 O VAL A 34 -11.096 -1.721 -3.512 1.00 0.00 O ATOM 504 CB VAL A 34 -9.208 -1.819 -0.815 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.968 -2.336 0.602 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.372 -2.637 -1.802 1.00 0.00 C ATOM 0 H VAL A 34 -10.615 -3.818 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.298 -1.574 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.919 -0.770 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.912 -2.235 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.564 -1.756 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.256 -3.386 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.315 -2.535 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.660 -3.687 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.545 -2.273 -2.815 1.00 0.00 H new ATOM 516 N TRP A 35 -11.144 0.119 -2.308 1.00 0.00 N ATOM 517 CA TRP A 35 -11.451 0.958 -3.500 1.00 0.00 C ATOM 518 C TRP A 35 -10.221 1.033 -4.406 1.00 0.00 C ATOM 519 O TRP A 35 -9.114 1.234 -3.949 1.00 0.00 O ATOM 520 CB TRP A 35 -11.810 2.371 -3.038 1.00 0.00 C ATOM 521 CG TRP A 35 -13.076 2.340 -2.244 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.144 2.223 -0.898 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.451 2.431 -2.718 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.472 2.245 -0.515 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.316 2.368 -1.600 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.026 2.562 -3.996 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.702 2.433 -1.743 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.423 2.627 -4.142 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.258 2.563 -3.017 1.00 0.00 C ATOM 0 H TRP A 35 -11.068 0.629 -1.428 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.284 0.518 -4.048 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.001 2.782 -2.434 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.928 3.026 -3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.299 2.128 -0.232 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.790 2.178 0.452 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.391 2.613 -4.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.341 2.383 -0.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.856 2.727 -5.127 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.330 2.614 -3.136 1.00 0.00 H new ATOM 540 N SER A 36 -10.408 0.883 -5.689 1.00 0.00 N ATOM 541 CA SER A 36 -9.250 0.956 -6.622 1.00 0.00 C ATOM 542 C SER A 36 -8.746 2.399 -6.683 1.00 0.00 C ATOM 543 O SER A 36 -9.498 3.334 -6.492 1.00 0.00 O ATOM 544 CB SER A 36 -9.685 0.504 -8.017 1.00 0.00 C ATOM 545 OG SER A 36 -10.552 1.481 -8.578 1.00 0.00 O ATOM 0 H SER A 36 -11.312 0.713 -6.130 1.00 0.00 H new ATOM 0 HA SER A 36 -8.452 0.304 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.813 0.366 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.193 -0.459 -7.958 1.00 0.00 H new ATOM 0 HG SER A 36 -10.831 1.195 -9.473 1.00 0.00 H new ATOM 551 N ILE A 37 -7.477 2.585 -6.945 1.00 0.00 N ATOM 552 CA ILE A 37 -6.905 3.968 -7.018 1.00 0.00 C ATOM 553 C ILE A 37 -6.024 4.097 -8.261 1.00 0.00 C ATOM 554 O ILE A 37 -5.577 3.116 -8.821 1.00 0.00 O ATOM 555 CB ILE A 37 -6.055 4.235 -5.770 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.058 3.083 -5.565 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.965 4.346 -4.544 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.932 3.533 -4.629 1.00 0.00 C ATOM 0 H ILE A 37 -6.807 1.835 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.719 4.691 -7.072 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.507 5.168 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.570 2.218 -5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.644 2.773 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.360 4.536 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.668 5.167 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.516 3.415 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.228 2.713 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.413 4.385 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.353 3.821 -3.666 1.00 0.00 H new ATOM 570 N ASN A 38 -5.752 5.302 -8.685 1.00 0.00 N ATOM 571 CA ASN A 38 -4.878 5.495 -9.876 1.00 0.00 C ATOM 572 C ASN A 38 -3.431 5.508 -9.392 1.00 0.00 C ATOM 573 O ASN A 38 -3.040 6.344 -8.602 1.00 0.00 O ATOM 574 CB ASN A 38 -5.210 6.831 -10.549 1.00 0.00 C ATOM 575 CG ASN A 38 -4.398 6.971 -11.838 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.781 7.991 -12.074 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.370 5.982 -12.688 1.00 0.00 N ATOM 0 H ASN A 38 -6.098 6.161 -8.257 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.033 4.694 -10.599 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.276 6.883 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.984 7.656 -9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.831 6.065 -13.550 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.887 5.125 -12.491 1.00 0.00 H new ATOM 584 N LEU A 39 -2.634 4.574 -9.832 1.00 0.00 N ATOM 585 CA LEU A 39 -1.223 4.529 -9.360 1.00 0.00 C ATOM 586 C LEU A 39 -0.399 5.574 -10.115 1.00 0.00 C ATOM 587 O LEU A 39 -0.225 5.497 -11.315 1.00 0.00 O ATOM 588 CB LEU A 39 -0.633 3.133 -9.608 1.00 0.00 C ATOM 589 CG LEU A 39 -1.291 2.080 -8.691 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.009 2.392 -7.210 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.806 2.040 -8.934 1.00 0.00 C ATOM 0 H LEU A 39 -2.897 3.844 -10.494 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.195 4.744 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.779 2.853 -10.651 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.442 3.153 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.863 1.106 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.482 1.637 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.067 2.386 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.412 3.374 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.260 1.294 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.235 3.019 -8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.001 1.779 -9.974 1.00 0.00 H new ATOM 603 N THR A 40 0.109 6.554 -9.412 1.00 0.00 N ATOM 604 CA THR A 40 0.927 7.620 -10.064 1.00 0.00 C ATOM 605 C THR A 40 2.078 8.015 -9.133 1.00 0.00 C ATOM 606 O THR A 40 3.103 7.362 -9.095 1.00 0.00 O ATOM 607 CB THR A 40 0.046 8.844 -10.340 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.441 9.357 -9.108 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.137 8.448 -11.233 1.00 0.00 C ATOM 0 H THR A 40 -0.009 6.662 -8.405 1.00 0.00 H new ATOM 0 HA THR A 40 1.331 7.247 -11.005 1.00 0.00 H new ATOM 0 HB THR A 40 0.637 9.605 -10.849 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.004 10.141 -9.280 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.758 9.323 -11.424 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.764 8.055 -12.178 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.732 7.684 -10.732 1.00 0.00 H new ATOM 617 N ALA A 41 1.919 9.083 -8.383 1.00 0.00 N ATOM 618 CA ALA A 41 3.003 9.535 -7.447 1.00 0.00 C ATOM 619 C ALA A 41 2.527 9.407 -5.996 1.00 0.00 C ATOM 620 O ALA A 41 3.097 8.677 -5.209 1.00 0.00 O ATOM 621 CB ALA A 41 3.340 10.998 -7.738 1.00 0.00 C ATOM 0 H ALA A 41 1.081 9.664 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 41 3.886 8.913 -7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.127 11.332 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.683 11.094 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.451 11.612 -7.592 1.00 0.00 H new ATOM 627 N GLY A 42 1.490 10.114 -5.633 1.00 0.00 N ATOM 628 CA GLY A 42 0.980 10.035 -4.230 1.00 0.00 C ATOM 629 C GLY A 42 0.345 8.664 -3.990 1.00 0.00 C ATOM 630 O GLY A 42 -0.674 8.544 -3.340 1.00 0.00 O ATOM 0 H GLY A 42 0.973 10.744 -6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.796 10.197 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.247 10.822 -4.054 1.00 0.00 H new ATOM 634 N MET A 43 0.938 7.633 -4.519 1.00 0.00 N ATOM 635 CA MET A 43 0.380 6.265 -4.338 1.00 0.00 C ATOM 636 C MET A 43 0.350 5.910 -2.851 1.00 0.00 C ATOM 637 O MET A 43 -0.575 5.290 -2.367 1.00 0.00 O ATOM 638 CB MET A 43 1.266 5.262 -5.077 1.00 0.00 C ATOM 639 CG MET A 43 1.329 5.647 -6.553 1.00 0.00 C ATOM 640 SD MET A 43 2.153 4.338 -7.491 1.00 0.00 S ATOM 641 CE MET A 43 3.754 4.436 -6.657 1.00 0.00 C ATOM 0 H MET A 43 1.793 7.679 -5.074 1.00 0.00 H new ATOM 0 HA MET A 43 -0.634 6.232 -4.737 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.267 5.256 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.866 4.254 -4.968 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.323 5.807 -6.940 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.869 6.587 -6.671 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.540 4.113 -7.340 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.941 5.464 -6.348 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.747 3.789 -5.780 1.00 0.00 H new ATOM 651 N TYR A 44 1.370 6.283 -2.130 1.00 0.00 N ATOM 652 CA TYR A 44 1.427 5.951 -0.679 1.00 0.00 C ATOM 653 C TYR A 44 0.233 6.570 0.054 1.00 0.00 C ATOM 654 O TYR A 44 -0.455 5.905 0.802 1.00 0.00 O ATOM 655 CB TYR A 44 2.721 6.516 -0.095 1.00 0.00 C ATOM 656 CG TYR A 44 3.905 5.824 -0.728 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.466 6.334 -1.905 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.435 4.666 -0.146 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.558 5.689 -2.499 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.527 4.020 -0.740 1.00 0.00 C ATOM 661 CZ TYR A 44 6.088 4.532 -1.916 1.00 0.00 C ATOM 662 OH TYR A 44 7.163 3.894 -2.502 1.00 0.00 O ATOM 0 H TYR A 44 2.171 6.806 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 44 1.395 4.868 -0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.775 7.590 -0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.738 6.373 0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.056 7.226 -2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.002 4.271 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.991 6.084 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.936 3.127 -0.291 1.00 0.00 H new ATOM 0 HH TYR A 44 7.966 4.447 -2.401 1.00 0.00 H new ATOM 672 N CYS A 45 -0.018 7.833 -0.147 1.00 0.00 N ATOM 673 CA CYS A 45 -1.168 8.478 0.549 1.00 0.00 C ATOM 674 C CYS A 45 -2.482 7.897 0.023 1.00 0.00 C ATOM 675 O CYS A 45 -3.350 7.514 0.782 1.00 0.00 O ATOM 676 CB CYS A 45 -1.134 9.986 0.300 1.00 0.00 C ATOM 677 SG CYS A 45 0.288 10.702 1.163 1.00 0.00 S ATOM 0 H CYS A 45 0.520 8.445 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.096 8.287 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.065 10.188 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.057 10.446 0.653 1.00 0.00 H new ATOM 682 N ALA A 46 -2.636 7.828 -1.271 1.00 0.00 N ATOM 683 CA ALA A 46 -3.895 7.271 -1.842 1.00 0.00 C ATOM 684 C ALA A 46 -4.069 5.821 -1.374 1.00 0.00 C ATOM 685 O ALA A 46 -5.154 5.385 -1.038 1.00 0.00 O ATOM 686 CB ALA A 46 -3.819 7.307 -3.369 1.00 0.00 C ATOM 0 H ALA A 46 -1.945 8.133 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.743 7.867 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.739 6.900 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.692 8.337 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.971 6.710 -3.705 1.00 0.00 H new ATOM 692 N ALA A 47 -3.008 5.067 -1.356 1.00 0.00 N ATOM 693 CA ALA A 47 -3.112 3.650 -0.914 1.00 0.00 C ATOM 694 C ALA A 47 -3.497 3.590 0.569 1.00 0.00 C ATOM 695 O ALA A 47 -4.288 2.766 0.983 1.00 0.00 O ATOM 696 CB ALA A 47 -1.761 2.958 -1.120 1.00 0.00 C ATOM 0 H ALA A 47 -2.073 5.370 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.879 3.145 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.831 1.919 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.492 2.993 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.997 3.469 -0.533 1.00 0.00 H new ATOM 702 N LEU A 48 -2.925 4.445 1.373 1.00 0.00 N ATOM 703 CA LEU A 48 -3.232 4.429 2.833 1.00 0.00 C ATOM 704 C LEU A 48 -4.727 4.674 3.077 1.00 0.00 C ATOM 705 O LEU A 48 -5.364 3.946 3.812 1.00 0.00 O ATOM 706 CB LEU A 48 -2.395 5.505 3.534 1.00 0.00 C ATOM 707 CG LEU A 48 -2.686 5.518 5.043 1.00 0.00 C ATOM 708 CD1 LEU A 48 -2.350 4.151 5.664 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.819 6.598 5.697 1.00 0.00 C ATOM 0 H LEU A 48 -2.256 5.157 1.081 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.982 3.449 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.335 5.317 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.618 6.483 3.107 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.743 5.726 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.561 4.175 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.956 3.378 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.294 3.930 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.013 6.621 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.766 6.374 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.059 7.569 5.264 1.00 0.00 H new ATOM 721 N GLU A 49 -5.300 5.689 2.481 1.00 0.00 N ATOM 722 CA GLU A 49 -6.752 5.946 2.716 1.00 0.00 C ATOM 723 C GLU A 49 -7.557 4.712 2.316 1.00 0.00 C ATOM 724 O GLU A 49 -8.498 4.336 2.986 1.00 0.00 O ATOM 725 CB GLU A 49 -7.220 7.166 1.912 1.00 0.00 C ATOM 726 CG GLU A 49 -6.736 7.056 0.471 1.00 0.00 C ATOM 727 CD GLU A 49 -7.263 8.243 -0.338 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.266 9.342 0.191 1.00 0.00 O ATOM 729 OE2 GLU A 49 -7.653 8.033 -1.475 1.00 0.00 O ATOM 0 H GLU A 49 -4.833 6.342 1.851 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.909 6.154 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.308 7.232 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.836 8.080 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.647 7.038 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.081 6.121 0.031 1.00 0.00 H new ATOM 736 N SER A 50 -7.200 4.065 1.241 1.00 0.00 N ATOM 737 CA SER A 50 -7.961 2.850 0.839 1.00 0.00 C ATOM 738 C SER A 50 -7.754 1.763 1.900 1.00 0.00 C ATOM 739 O SER A 50 -8.677 1.071 2.282 1.00 0.00 O ATOM 740 CB SER A 50 -7.454 2.351 -0.515 1.00 0.00 C ATOM 741 OG SER A 50 -6.121 1.878 -0.373 1.00 0.00 O ATOM 0 H SER A 50 -6.424 4.321 0.630 1.00 0.00 H new ATOM 0 HA SER A 50 -9.021 3.088 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.098 1.553 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.490 3.156 -1.249 1.00 0.00 H new ATOM 0 HG SER A 50 -5.605 2.511 0.170 1.00 0.00 H new ATOM 747 N LEU A 51 -6.549 1.617 2.384 1.00 0.00 N ATOM 748 CA LEU A 51 -6.276 0.586 3.429 1.00 0.00 C ATOM 749 C LEU A 51 -6.936 1.001 4.750 1.00 0.00 C ATOM 750 O LEU A 51 -7.429 0.179 5.496 1.00 0.00 O ATOM 751 CB LEU A 51 -4.764 0.451 3.642 1.00 0.00 C ATOM 752 CG LEU A 51 -4.104 -0.189 2.411 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.581 -0.107 2.565 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.531 -1.666 2.272 1.00 0.00 C ATOM 0 H LEU A 51 -5.739 2.169 2.100 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.685 -0.370 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.328 1.432 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.568 -0.157 4.525 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.421 0.347 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.103 -0.559 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.279 0.937 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.277 -0.641 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.053 -2.102 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.228 -2.218 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.614 -1.723 2.161 1.00 0.00 H new ATOM 766 N ILE A 52 -6.931 2.273 5.050 1.00 0.00 N ATOM 767 CA ILE A 52 -7.537 2.749 6.328 1.00 0.00 C ATOM 768 C ILE A 52 -8.988 2.257 6.428 1.00 0.00 C ATOM 769 O ILE A 52 -9.587 2.287 7.484 1.00 0.00 O ATOM 770 CB ILE A 52 -7.488 4.292 6.368 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.060 4.760 6.724 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.486 4.847 7.394 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.757 4.594 8.230 1.00 0.00 C ATOM 0 H ILE A 52 -6.532 3.005 4.463 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.976 2.351 7.174 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.762 4.670 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.336 4.189 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.940 5.806 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.432 5.936 7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.495 4.536 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.241 4.464 8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.743 4.935 8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.464 5.186 8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.850 3.544 8.506 1.00 0.00 H new ATOM 785 N ASN A 53 -9.560 1.807 5.345 1.00 0.00 N ATOM 786 CA ASN A 53 -10.970 1.320 5.399 1.00 0.00 C ATOM 787 C ASN A 53 -10.989 -0.145 5.847 1.00 0.00 C ATOM 788 O ASN A 53 -12.000 -0.654 6.289 1.00 0.00 O ATOM 789 CB ASN A 53 -11.601 1.437 4.009 1.00 0.00 C ATOM 790 CG ASN A 53 -11.814 2.914 3.660 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.150 3.241 2.539 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.628 3.826 4.575 1.00 0.00 N ATOM 0 H ASN A 53 -9.116 1.755 4.428 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.536 1.923 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.957 0.967 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.553 0.907 3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.765 4.811 4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.346 3.554 5.517 1.00 0.00 H new ATOM 799 N VAL A 54 -9.877 -0.825 5.744 1.00 0.00 N ATOM 800 CA VAL A 54 -9.824 -2.256 6.172 1.00 0.00 C ATOM 801 C VAL A 54 -9.392 -2.327 7.639 1.00 0.00 C ATOM 802 O VAL A 54 -8.325 -1.870 7.999 1.00 0.00 O ATOM 803 CB VAL A 54 -8.813 -3.011 5.306 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.867 -4.504 5.636 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.156 -2.804 3.828 1.00 0.00 C ATOM 0 H VAL A 54 -9.000 -0.451 5.381 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.809 -2.709 6.057 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.811 -2.633 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.146 -5.040 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.624 -4.653 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.869 -4.885 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.437 -3.341 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.159 -3.183 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.116 -1.741 3.591 1.00 0.00 H new ATOM 815 N SER A 55 -10.217 -2.890 8.489 1.00 0.00 N ATOM 816 CA SER A 55 -9.873 -2.993 9.946 1.00 0.00 C ATOM 817 C SER A 55 -9.963 -4.452 10.396 1.00 0.00 C ATOM 818 O SER A 55 -10.731 -5.231 9.866 1.00 0.00 O ATOM 819 CB SER A 55 -10.857 -2.153 10.760 1.00 0.00 C ATOM 820 OG SER A 55 -10.767 -0.795 10.349 1.00 0.00 O ATOM 0 H SER A 55 -11.122 -3.286 8.235 1.00 0.00 H new ATOM 0 HA SER A 55 -8.858 -2.627 10.103 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.873 -2.522 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.633 -2.239 11.823 1.00 0.00 H new ATOM 0 HG SER A 55 -11.398 -0.254 10.868 1.00 0.00 H new ATOM 826 N GLY A 56 -9.181 -4.828 11.375 1.00 0.00 N ATOM 827 CA GLY A 56 -9.212 -6.237 11.872 1.00 0.00 C ATOM 828 C GLY A 56 -8.129 -7.056 11.167 1.00 0.00 C ATOM 829 O GLY A 56 -7.857 -8.183 11.533 1.00 0.00 O ATOM 0 H GLY A 56 -8.519 -4.217 11.854 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.052 -6.256 12.950 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.192 -6.677 11.687 1.00 0.00 H new ATOM 833 N CYS A 57 -7.502 -6.500 10.161 1.00 0.00 N ATOM 834 CA CYS A 57 -6.428 -7.247 9.435 1.00 0.00 C ATOM 835 C CYS A 57 -5.060 -6.810 9.967 1.00 0.00 C ATOM 836 O CYS A 57 -4.449 -5.889 9.464 1.00 0.00 O ATOM 837 CB CYS A 57 -6.514 -6.941 7.939 1.00 0.00 C ATOM 838 SG CYS A 57 -8.074 -7.576 7.279 1.00 0.00 S ATOM 0 H CYS A 57 -7.687 -5.560 9.810 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.558 -8.318 9.593 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.448 -5.866 7.773 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.674 -7.397 7.415 1.00 0.00 H new ATOM 843 N SER A 58 -4.580 -7.470 10.984 1.00 0.00 N ATOM 844 CA SER A 58 -3.255 -7.112 11.569 1.00 0.00 C ATOM 845 C SER A 58 -2.152 -7.278 10.519 1.00 0.00 C ATOM 846 O SER A 58 -1.203 -6.520 10.473 1.00 0.00 O ATOM 847 CB SER A 58 -2.967 -8.036 12.753 1.00 0.00 C ATOM 848 OG SER A 58 -1.661 -7.773 13.248 1.00 0.00 O ATOM 0 H SER A 58 -5.053 -8.250 11.440 1.00 0.00 H new ATOM 0 HA SER A 58 -3.277 -6.074 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.705 -7.879 13.540 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.048 -9.078 12.444 1.00 0.00 H new ATOM 0 HG SER A 58 -1.474 -8.363 14.008 1.00 0.00 H new ATOM 854 N ALA A 59 -2.261 -8.279 9.696 1.00 0.00 N ATOM 855 CA ALA A 59 -1.218 -8.529 8.661 1.00 0.00 C ATOM 856 C ALA A 59 -0.848 -7.240 7.914 1.00 0.00 C ATOM 857 O ALA A 59 0.292 -7.050 7.539 1.00 0.00 O ATOM 858 CB ALA A 59 -1.747 -9.555 7.657 1.00 0.00 C ATOM 0 H ALA A 59 -3.035 -8.943 9.694 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.324 -8.903 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.990 -9.743 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.980 -10.485 8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.649 -9.168 7.183 1.00 0.00 H new ATOM 864 N ILE A 60 -1.796 -6.367 7.662 1.00 0.00 N ATOM 865 CA ILE A 60 -1.483 -5.110 6.899 1.00 0.00 C ATOM 866 C ILE A 60 -1.374 -3.892 7.827 1.00 0.00 C ATOM 867 O ILE A 60 -1.021 -2.814 7.390 1.00 0.00 O ATOM 868 CB ILE A 60 -2.589 -4.876 5.862 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.947 -4.727 6.562 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.637 -6.072 4.909 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.004 -4.281 5.547 1.00 0.00 C ATOM 0 H ILE A 60 -2.769 -6.468 7.949 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.518 -5.234 6.408 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.376 -3.963 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.240 -5.675 7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.873 -3.998 7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.421 -5.915 4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.676 -6.175 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.849 -6.979 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.967 -4.176 6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.713 -3.323 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.085 -5.026 4.755 1.00 0.00 H new ATOM 883 N GLU A 61 -1.664 -4.031 9.092 1.00 0.00 N ATOM 884 CA GLU A 61 -1.555 -2.845 9.994 1.00 0.00 C ATOM 885 C GLU A 61 -0.114 -2.330 9.981 1.00 0.00 C ATOM 886 O GLU A 61 0.127 -1.147 9.839 1.00 0.00 O ATOM 887 CB GLU A 61 -1.961 -3.228 11.422 1.00 0.00 C ATOM 888 CG GLU A 61 -3.486 -3.324 11.512 1.00 0.00 C ATOM 889 CD GLU A 61 -3.893 -3.706 12.935 1.00 0.00 C ATOM 890 OE1 GLU A 61 -3.015 -4.055 13.708 1.00 0.00 O ATOM 891 OE2 GLU A 61 -5.075 -3.645 13.229 1.00 0.00 O ATOM 0 H GLU A 61 -1.967 -4.898 9.536 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.225 -2.061 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.509 -4.181 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.591 -2.485 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.937 -2.371 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.856 -4.067 10.805 1.00 0.00 H new ATOM 898 N LYS A 62 0.847 -3.203 10.105 1.00 0.00 N ATOM 899 CA LYS A 62 2.266 -2.749 10.071 1.00 0.00 C ATOM 900 C LYS A 62 2.534 -2.079 8.730 1.00 0.00 C ATOM 901 O LYS A 62 3.221 -1.080 8.644 1.00 0.00 O ATOM 902 CB LYS A 62 3.204 -3.944 10.231 1.00 0.00 C ATOM 903 CG LYS A 62 3.109 -4.481 11.655 1.00 0.00 C ATOM 904 CD LYS A 62 4.049 -5.677 11.809 1.00 0.00 C ATOM 905 CE LYS A 62 3.955 -6.215 13.236 1.00 0.00 C ATOM 906 NZ LYS A 62 4.459 -5.183 14.185 1.00 0.00 N ATOM 0 H LYS A 62 0.713 -4.207 10.228 1.00 0.00 H new ATOM 0 HA LYS A 62 2.442 -2.048 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.939 -4.725 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.229 -3.646 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.375 -3.701 12.368 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.084 -4.779 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.783 -6.457 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.074 -5.379 11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.922 -6.471 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.540 -7.130 13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.717 -5.636 15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.296 -4.717 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.717 -4.475 14.354 1.00 0.00 H new ATOM 920 N THR A 63 2.000 -2.631 7.679 1.00 0.00 N ATOM 921 CA THR A 63 2.223 -2.041 6.338 1.00 0.00 C ATOM 922 C THR A 63 1.684 -0.609 6.328 1.00 0.00 C ATOM 923 O THR A 63 2.295 0.287 5.787 1.00 0.00 O ATOM 924 CB THR A 63 1.487 -2.886 5.293 1.00 0.00 C ATOM 925 OG1 THR A 63 1.989 -4.214 5.327 1.00 0.00 O ATOM 926 CG2 THR A 63 1.713 -2.299 3.899 1.00 0.00 C ATOM 0 H THR A 63 1.417 -3.468 7.694 1.00 0.00 H new ATOM 0 HA THR A 63 3.287 -2.026 6.104 1.00 0.00 H new ATOM 0 HB THR A 63 0.420 -2.886 5.516 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.519 -4.758 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.187 -2.904 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.333 -1.278 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.779 -2.297 3.674 1.00 0.00 H new ATOM 934 N GLN A 64 0.552 -0.379 6.938 1.00 0.00 N ATOM 935 CA GLN A 64 -0.003 1.004 6.963 1.00 0.00 C ATOM 936 C GLN A 64 0.992 1.938 7.652 1.00 0.00 C ATOM 937 O GLN A 64 1.209 3.055 7.225 1.00 0.00 O ATOM 938 CB GLN A 64 -1.322 1.018 7.738 1.00 0.00 C ATOM 939 CG GLN A 64 -2.402 0.289 6.937 1.00 0.00 C ATOM 940 CD GLN A 64 -3.659 0.146 7.797 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.574 0.063 9.006 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.830 0.116 7.222 1.00 0.00 N ATOM 0 H GLN A 64 -0.009 -1.084 7.417 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.178 1.339 5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.190 0.538 8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.630 2.046 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.631 0.842 6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.043 -0.694 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.902 0.186 6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.674 0.023 7.788 1.00 0.00 H new ATOM 951 N ARG A 65 1.600 1.490 8.716 1.00 0.00 N ATOM 952 CA ARG A 65 2.579 2.356 9.429 1.00 0.00 C ATOM 953 C ARG A 65 3.748 2.679 8.495 1.00 0.00 C ATOM 954 O ARG A 65 4.146 3.818 8.355 1.00 0.00 O ATOM 955 CB ARG A 65 3.102 1.619 10.668 1.00 0.00 C ATOM 956 CG ARG A 65 1.977 1.445 11.704 1.00 0.00 C ATOM 957 CD ARG A 65 1.731 2.751 12.476 1.00 0.00 C ATOM 958 NE ARG A 65 3.018 3.291 12.996 1.00 0.00 N ATOM 959 CZ ARG A 65 3.096 4.536 13.375 1.00 0.00 C ATOM 960 NH1 ARG A 65 2.052 5.314 13.277 1.00 0.00 N ATOM 961 NH2 ARG A 65 4.218 5.006 13.847 1.00 0.00 N ATOM 0 H ARG A 65 1.461 0.564 9.121 1.00 0.00 H new ATOM 0 HA ARG A 65 2.092 3.282 9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.494 0.643 10.380 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.928 2.177 11.109 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.060 1.137 11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.240 0.650 12.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.258 3.484 11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.044 2.570 13.302 1.00 0.00 H new ATOM 0 HE ARG A 65 3.838 2.687 13.056 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.176 4.948 12.904 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.112 6.288 13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.035 4.399 13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.278 5.980 14.143 1.00 0.00 H new ATOM 975 N MET A 66 4.300 1.686 7.850 1.00 0.00 N ATOM 976 CA MET A 66 5.439 1.945 6.924 1.00 0.00 C ATOM 977 C MET A 66 4.970 2.833 5.765 1.00 0.00 C ATOM 978 O MET A 66 5.668 3.733 5.344 1.00 0.00 O ATOM 979 CB MET A 66 5.984 0.614 6.394 1.00 0.00 C ATOM 980 CG MET A 66 6.688 -0.126 7.537 1.00 0.00 C ATOM 981 SD MET A 66 7.481 -1.631 6.909 1.00 0.00 S ATOM 982 CE MET A 66 5.984 -2.606 6.619 1.00 0.00 C ATOM 0 H MET A 66 4.012 0.710 7.924 1.00 0.00 H new ATOM 0 HA MET A 66 6.236 2.461 7.460 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.172 0.006 5.996 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.681 0.792 5.575 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.434 0.523 7.996 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.967 -0.382 8.313 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.258 -3.641 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.348 -2.568 7.503 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.443 -2.197 5.765 1.00 0.00 H new ATOM 992 N LEU A 67 3.787 2.600 5.258 1.00 0.00 N ATOM 993 CA LEU A 67 3.275 3.449 4.140 1.00 0.00 C ATOM 994 C LEU A 67 3.170 4.896 4.622 1.00 0.00 C ATOM 995 O LEU A 67 3.463 5.825 3.896 1.00 0.00 O ATOM 996 CB LEU A 67 1.892 2.959 3.693 1.00 0.00 C ATOM 997 CG LEU A 67 2.003 1.602 2.978 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.599 1.026 2.774 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.683 1.766 1.605 1.00 0.00 C ATOM 0 H LEU A 67 3.155 1.862 5.568 1.00 0.00 H new ATOM 0 HA LEU A 67 3.961 3.385 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.236 2.867 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.439 3.692 3.025 1.00 0.00 H new ATOM 0 HG LEU A 67 2.604 0.930 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.671 0.064 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.117 0.891 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.009 1.712 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.752 0.795 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.095 2.444 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.684 2.176 1.741 1.00 0.00 H new ATOM 1011 N SER A 68 2.748 5.095 5.840 1.00 0.00 N ATOM 1012 CA SER A 68 2.619 6.482 6.364 1.00 0.00 C ATOM 1013 C SER A 68 3.965 7.197 6.239 1.00 0.00 C ATOM 1014 O SER A 68 4.027 8.378 5.960 1.00 0.00 O ATOM 1015 CB SER A 68 2.198 6.440 7.834 1.00 0.00 C ATOM 1016 OG SER A 68 0.870 5.943 7.928 1.00 0.00 O ATOM 0 H SER A 68 2.487 4.357 6.494 1.00 0.00 H new ATOM 0 HA SER A 68 1.864 7.019 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.878 5.804 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.257 7.437 8.270 1.00 0.00 H new ATOM 0 HG SER A 68 0.862 4.987 7.712 1.00 0.00 H new ATOM 1022 N GLY A 69 5.043 6.492 6.441 1.00 0.00 N ATOM 1023 CA GLY A 69 6.384 7.134 6.331 1.00 0.00 C ATOM 1024 C GLY A 69 6.485 7.890 5.004 1.00 0.00 C ATOM 1025 O GLY A 69 7.203 8.863 4.885 1.00 0.00 O ATOM 0 H GLY A 69 5.054 5.500 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.539 7.819 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.166 6.377 6.390 1.00 0.00 H new ATOM 1029 N PHE A 70 5.771 7.447 4.002 1.00 0.00 N ATOM 1030 CA PHE A 70 5.818 8.129 2.672 1.00 0.00 C ATOM 1031 C PHE A 70 4.615 9.073 2.541 1.00 0.00 C ATOM 1032 O PHE A 70 4.381 9.658 1.502 1.00 0.00 O ATOM 1033 CB PHE A 70 5.766 7.068 1.570 1.00 0.00 C ATOM 1034 CG PHE A 70 7.027 6.236 1.612 1.00 0.00 C ATOM 1035 CD1 PHE A 70 7.073 5.081 2.401 1.00 0.00 C ATOM 1036 CD2 PHE A 70 8.148 6.618 0.864 1.00 0.00 C ATOM 1037 CE1 PHE A 70 8.240 4.308 2.444 1.00 0.00 C ATOM 1038 CE2 PHE A 70 9.314 5.845 0.907 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.360 4.690 1.696 1.00 0.00 C ATOM 0 H PHE A 70 5.153 6.637 4.047 1.00 0.00 H new ATOM 0 HA PHE A 70 6.737 8.707 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.892 6.430 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.665 7.545 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.208 4.786 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.113 7.509 0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.276 3.417 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.179 6.140 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.260 4.093 1.728 1.00 0.00 H new ATOM 1049 N CYS A 71 3.853 9.221 3.598 1.00 0.00 N ATOM 1050 CA CYS A 71 2.654 10.123 3.573 1.00 0.00 C ATOM 1051 C CYS A 71 2.691 11.025 4.824 1.00 0.00 C ATOM 1052 O CYS A 71 2.055 10.729 5.815 1.00 0.00 O ATOM 1053 CB CYS A 71 1.384 9.265 3.601 1.00 0.00 C ATOM 1054 SG CYS A 71 -0.041 10.267 3.109 1.00 0.00 S ATOM 0 H CYS A 71 4.012 8.750 4.489 1.00 0.00 H new ATOM 0 HA CYS A 71 2.660 10.737 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.493 8.415 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.229 8.861 4.601 1.00 0.00 H new ATOM 1059 N PRO A 72 3.453 12.101 4.796 1.00 0.00 N ATOM 1060 CA PRO A 72 3.571 13.013 5.981 1.00 0.00 C ATOM 1061 C PRO A 72 2.226 13.475 6.576 1.00 0.00 C ATOM 1062 O PRO A 72 2.200 14.320 7.450 1.00 0.00 O ATOM 1063 CB PRO A 72 4.364 14.193 5.396 1.00 0.00 C ATOM 1064 CG PRO A 72 5.058 13.693 4.122 1.00 0.00 C ATOM 1065 CD PRO A 72 4.253 12.496 3.597 1.00 0.00 C ATOM 0 HA PRO A 72 4.042 12.516 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.700 15.027 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.098 14.557 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.101 14.484 3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.086 13.400 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.617 12.771 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.901 11.688 3.256 1.00 0.00 H new ATOM 1073 N HIS A 73 1.116 12.933 6.129 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.212 13.350 6.697 1.00 0.00 C ATOM 1075 C HIS A 73 -1.060 12.103 6.989 1.00 0.00 C ATOM 1076 O HIS A 73 -1.268 11.271 6.129 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.931 14.280 5.695 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.681 13.481 4.654 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.030 13.190 4.779 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.285 12.912 3.470 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.393 12.475 3.699 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.367 12.278 2.869 1.00 0.00 N ATOM 0 H HIS A 73 1.070 12.223 5.398 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.062 13.893 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.625 14.929 6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.202 14.926 5.206 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.637 13.468 5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.284 12.951 3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.393 12.106 3.525 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.556 11.970 8.192 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.391 10.779 8.518 1.00 0.00 C ATOM 1092 C LYS A 74 -3.793 10.976 7.941 1.00 0.00 C ATOM 1093 O LYS A 74 -4.254 12.089 7.779 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.493 10.596 10.035 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.115 10.265 10.612 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.234 10.062 12.126 1.00 0.00 C ATOM 1097 CE LYS A 74 0.142 9.730 12.709 1.00 0.00 C ATOM 1098 NZ LYS A 74 -0.023 9.153 14.074 1.00 0.00 N ATOM 0 H LYS A 74 -1.419 12.631 8.957 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.927 9.893 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.881 11.505 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.196 9.796 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.719 9.364 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.414 11.072 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.631 10.963 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.935 9.256 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.661 9.022 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.756 10.629 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.911 8.927 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.502 9.843 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.594 8.286 14.018 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.477 9.903 7.628 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.856 10.021 7.058 1.00 0.00 C ATOM 1114 C VAL A 75 -6.767 8.981 7.718 1.00 0.00 C ATOM 1115 O VAL A 75 -6.430 7.818 7.815 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.797 9.794 5.542 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -5.569 8.310 5.239 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -7.111 10.255 4.906 1.00 0.00 C ATOM 0 H VAL A 75 -4.139 8.948 7.743 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.257 11.016 7.252 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.969 10.369 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.529 8.161 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.628 7.988 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.388 7.724 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.070 10.094 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.939 9.684 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.261 11.315 5.109 1.00 0.00 H new ATOM 1128 N SER A 76 -7.918 9.397 8.183 1.00 0.00 N ATOM 1129 CA SER A 76 -8.857 8.444 8.851 1.00 0.00 C ATOM 1130 C SER A 76 -9.914 7.967 7.853 1.00 0.00 C ATOM 1131 O SER A 76 -10.027 8.477 6.756 1.00 0.00 O ATOM 1132 CB SER A 76 -9.549 9.145 10.019 1.00 0.00 C ATOM 1133 OG SER A 76 -10.302 8.192 10.759 1.00 0.00 O ATOM 0 H SER A 76 -8.249 10.360 8.129 1.00 0.00 H new ATOM 0 HA SER A 76 -8.293 7.586 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.809 9.620 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.203 9.934 9.649 1.00 0.00 H new ATOM 0 HG SER A 76 -10.746 8.638 11.510 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.690 6.988 8.232 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.745 6.468 7.318 1.00 0.00 C ATOM 1141 C ALA A 77 -12.749 7.578 7.009 1.00 0.00 C ATOM 1142 O ALA A 77 -13.663 7.399 6.230 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.470 5.301 7.993 1.00 0.00 C ATOM 0 H ALA A 77 -10.638 6.525 9.139 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.285 6.127 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.243 4.918 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.756 4.508 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.928 5.645 8.920 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.593 8.725 7.617 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.545 9.848 7.360 1.00 0.00 C ATOM 1151 C GLY A 78 -12.989 10.753 6.259 1.00 0.00 C ATOM 1152 O GLY A 78 -13.725 11.297 5.460 1.00 0.00 O ATOM 0 H GLY A 78 -11.847 8.933 8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.517 9.453 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.700 10.423 8.273 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.695 10.923 6.213 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.087 11.799 5.167 1.00 0.00 C ATOM 1158 C GLN A 79 -10.717 10.960 3.941 1.00 0.00 C ATOM 1159 O GLN A 79 -10.017 9.972 4.045 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.824 12.448 5.731 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.210 13.474 6.799 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.947 14.124 7.364 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -8.021 14.418 6.633 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.864 14.354 8.646 1.00 0.00 N ATOM 0 H GLN A 79 -11.030 10.492 6.856 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.803 12.568 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.173 11.687 6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.264 12.933 4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.862 14.235 6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.771 12.989 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.641 14.108 9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.023 14.780 9.034 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.178 11.354 2.780 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.859 10.598 1.525 1.00 0.00 C ATOM 1175 C PHE A 80 -10.302 11.570 0.487 1.00 0.00 C ATOM 1176 O PHE A 80 -10.696 12.718 0.438 1.00 0.00 O ATOM 1177 CB PHE A 80 -12.131 9.949 0.988 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.554 8.840 1.922 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.876 7.615 1.904 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.622 9.037 2.804 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.268 6.587 2.770 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -14.014 8.009 3.669 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.337 6.784 3.652 1.00 0.00 C ATOM 0 H PHE A 80 -11.768 12.175 2.645 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.121 9.824 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.924 10.691 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.957 9.552 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.052 7.463 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.144 9.982 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.746 5.642 2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.839 8.161 4.350 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.639 5.991 4.319 1.00 0.00 H new ATOM 1193 N SER A 81 -9.369 11.127 -0.327 1.00 0.00 N ATOM 1194 CA SER A 81 -8.761 12.032 -1.359 1.00 0.00 C ATOM 1195 C SER A 81 -8.922 11.455 -2.774 1.00 0.00 C ATOM 1196 O SER A 81 -9.315 12.151 -3.690 1.00 0.00 O ATOM 1197 CB SER A 81 -7.272 12.193 -1.058 1.00 0.00 C ATOM 1198 OG SER A 81 -7.109 12.629 0.286 1.00 0.00 O ATOM 0 H SER A 81 -9.002 10.175 -0.321 1.00 0.00 H new ATOM 0 HA SER A 81 -9.273 12.993 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.754 11.246 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.827 12.914 -1.743 1.00 0.00 H new ATOM 0 HG SER A 81 -6.155 12.732 0.483 1.00 0.00 H new ATOM 1204 N SER A 82 -8.577 10.205 -2.974 1.00 0.00 N ATOM 1205 CA SER A 82 -8.661 9.605 -4.349 1.00 0.00 C ATOM 1206 C SER A 82 -9.950 8.796 -4.555 1.00 0.00 C ATOM 1207 O SER A 82 -10.224 8.342 -5.648 1.00 0.00 O ATOM 1208 CB SER A 82 -7.455 8.688 -4.559 1.00 0.00 C ATOM 1209 OG SER A 82 -7.449 8.219 -5.901 1.00 0.00 O ATOM 0 H SER A 82 -8.241 9.573 -2.247 1.00 0.00 H new ATOM 0 HA SER A 82 -8.667 10.421 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.532 9.227 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.499 7.846 -3.868 1.00 0.00 H new ATOM 0 HG SER A 82 -8.371 8.088 -6.206 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.743 8.601 -3.540 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.001 7.810 -3.731 1.00 0.00 C ATOM 1217 C LEU A 83 -13.102 8.729 -4.274 1.00 0.00 C ATOM 1218 O LEU A 83 -14.276 8.493 -4.069 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.442 7.206 -2.389 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.626 5.945 -2.086 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.169 6.323 -1.814 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.213 5.258 -0.852 1.00 0.00 C ATOM 0 H LEU A 83 -10.582 8.948 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.819 7.004 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.308 7.936 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.504 6.962 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.665 5.270 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.594 5.423 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.752 6.820 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.122 6.997 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.639 4.359 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.169 5.938 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.251 4.987 -1.046 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.732 9.770 -4.975 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.761 10.695 -5.536 1.00 0.00 C ATOM 1236 C HIS A 84 -14.420 10.029 -6.743 1.00 0.00 C ATOM 1237 O HIS A 84 -15.578 10.251 -7.036 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.096 11.999 -5.983 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.371 12.613 -4.822 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.505 12.129 -3.534 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.493 13.666 -4.739 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.726 12.879 -2.737 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.087 13.832 -3.419 1.00 0.00 N ATOM 0 H HIS A 84 -11.765 10.019 -5.182 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.508 10.915 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.400 11.804 -6.799 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.847 12.691 -6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.168 14.272 -5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.628 12.729 -1.672 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.441 14.531 -3.052 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.687 9.210 -7.445 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.260 8.520 -8.633 1.00 0.00 C ATOM 1253 C VAL A 85 -15.164 7.379 -8.161 1.00 0.00 C ATOM 1254 O VAL A 85 -14.980 6.834 -7.091 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.125 7.959 -9.494 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.242 9.109 -9.983 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.278 6.991 -8.663 1.00 0.00 C ATOM 0 H VAL A 85 -12.712 8.988 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.843 9.226 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.548 7.431 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.433 8.711 -10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.841 9.801 -10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.822 9.635 -9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.471 6.593 -9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.856 7.519 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.903 6.171 -8.310 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.146 7.016 -8.944 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.065 5.914 -8.528 1.00 0.00 C ATOM 1269 C ARG A 86 -16.514 4.578 -9.024 1.00 0.00 C ATOM 1270 O ARG A 86 -17.163 3.862 -9.760 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.445 6.136 -9.149 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.119 7.348 -8.506 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.495 7.547 -9.143 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.116 8.819 -8.641 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.342 9.020 -7.370 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -21.178 8.056 -6.506 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.783 10.180 -6.969 1.00 0.00 N ATOM 0 H ARG A 86 -16.352 7.434 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.144 5.905 -7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.349 6.291 -10.224 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.063 5.249 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.220 7.197 -7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.506 8.238 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.400 7.583 -10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.140 6.700 -8.907 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.368 9.546 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.871 7.136 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.357 8.223 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.950 10.924 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.961 10.343 -5.978 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.323 4.232 -8.621 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.736 2.938 -9.064 1.00 0.00 C ATOM 1293 C ASP A 87 -15.277 1.823 -8.170 1.00 0.00 C ATOM 1294 O ASP A 87 -15.802 2.073 -7.105 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.213 2.997 -8.942 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.656 3.970 -9.983 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.396 4.329 -10.884 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.503 4.345 -9.857 1.00 0.00 O ATOM 0 H ASP A 87 -14.732 4.789 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.003 2.745 -10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.930 3.318 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.787 2.005 -9.091 1.00 0.00 H new ATOM 1303 N THR A 88 -15.154 0.593 -8.586 1.00 0.00 N ATOM 1304 CA THR A 88 -15.664 -0.531 -7.749 1.00 0.00 C ATOM 1305 C THR A 88 -14.552 -0.999 -6.812 1.00 0.00 C ATOM 1306 O THR A 88 -13.410 -0.605 -6.943 1.00 0.00 O ATOM 1307 CB THR A 88 -16.093 -1.692 -8.653 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.977 -2.137 -9.412 1.00 0.00 O ATOM 1309 CG2 THR A 88 -17.205 -1.228 -9.595 1.00 0.00 C ATOM 0 H THR A 88 -14.723 0.317 -9.468 1.00 0.00 H new ATOM 0 HA THR A 88 -16.521 -0.195 -7.166 1.00 0.00 H new ATOM 0 HB THR A 88 -16.464 -2.512 -8.038 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.250 -2.881 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.508 -2.056 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.061 -0.891 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.840 -0.406 -10.211 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.875 -1.833 -5.864 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.838 -2.322 -4.911 1.00 0.00 C ATOM 1319 C LYS A 89 -13.135 -3.541 -5.506 1.00 0.00 C ATOM 1320 O LYS A 89 -13.684 -4.238 -6.337 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.507 -2.735 -3.598 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.222 -1.538 -2.969 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.881 -1.984 -1.659 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.606 -0.804 -1.005 1.00 0.00 C ATOM 1325 NZ LYS A 89 -15.622 0.032 -0.262 1.00 0.00 N ATOM 0 H LYS A 89 -15.814 -2.198 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.115 -1.527 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.220 -3.538 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.759 -3.125 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.512 -0.733 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.973 -1.145 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.587 -2.791 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.126 -2.379 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.108 -0.205 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.377 -1.168 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.001 0.261 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.730 -0.492 -0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.447 0.912 -0.788 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.925 -3.809 -5.078 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.172 -4.993 -5.600 1.00 0.00 C ATOM 1341 C ILE A 90 -10.629 -5.794 -4.417 1.00 0.00 C ATOM 1342 O ILE A 90 -10.514 -5.294 -3.317 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.020 -4.519 -6.495 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.076 -3.605 -5.701 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.596 -3.751 -7.687 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.899 -3.190 -6.586 1.00 0.00 C ATOM 0 H ILE A 90 -11.423 -3.254 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.834 -5.625 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.458 -5.384 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.614 -2.722 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.712 -4.124 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.783 -3.411 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.257 -4.405 -8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.159 -2.890 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.230 -2.541 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.356 -4.078 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.271 -2.655 -7.459 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.309 -7.037 -4.632 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.795 -7.883 -3.520 1.00 0.00 C ATOM 1360 C GLU A 91 -8.462 -7.337 -3.009 1.00 0.00 C ATOM 1361 O GLU A 91 -7.639 -6.863 -3.767 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.605 -9.312 -4.026 1.00 0.00 C ATOM 1363 CG GLU A 91 -10.970 -9.929 -4.333 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.729 -10.168 -3.027 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.082 -10.242 -1.995 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.943 -10.274 -3.081 1.00 0.00 O ATOM 0 H GLU A 91 -10.381 -7.507 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.513 -7.872 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.984 -9.313 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.084 -9.908 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.542 -9.266 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.843 -10.869 -4.869 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.246 -7.399 -1.722 1.00 0.00 N ATOM 1374 CA VAL A 92 -6.969 -6.882 -1.156 1.00 0.00 C ATOM 1375 C VAL A 92 -5.792 -7.614 -1.814 1.00 0.00 C ATOM 1376 O VAL A 92 -4.776 -7.023 -2.121 1.00 0.00 O ATOM 1377 CB VAL A 92 -6.950 -7.121 0.360 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.553 -6.826 0.917 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.971 -6.197 1.033 1.00 0.00 C ATOM 0 H VAL A 92 -8.899 -7.785 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.884 -5.813 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.205 -8.161 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.547 -6.998 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.825 -7.483 0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.292 -5.787 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.959 -6.365 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.714 -5.158 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.967 -6.410 0.643 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.921 -8.895 -2.030 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.810 -9.662 -2.665 1.00 0.00 C ATOM 1391 C ALA A 93 -4.403 -8.990 -3.979 1.00 0.00 C ATOM 1392 O ALA A 93 -3.234 -8.896 -4.302 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.272 -11.093 -2.945 1.00 0.00 C ATOM 0 H ALA A 93 -6.748 -9.444 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.954 -9.681 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.460 -11.653 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.556 -11.574 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.130 -11.073 -3.617 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.353 -8.516 -4.739 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.010 -7.849 -6.027 1.00 0.00 C ATOM 1401 C GLN A 94 -4.444 -6.463 -5.730 1.00 0.00 C ATOM 1402 O GLN A 94 -3.534 -5.994 -6.386 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.268 -7.704 -6.889 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.715 -9.078 -7.387 1.00 0.00 C ATOM 1405 CD GLN A 94 -7.972 -8.927 -8.247 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.818 -8.101 -7.969 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.130 -9.697 -9.291 1.00 0.00 N ATOM 0 H GLN A 94 -6.349 -8.562 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.275 -8.449 -6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.066 -7.240 -6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.066 -7.048 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.918 -9.543 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.917 -9.735 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.420 -10.391 -9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.963 -9.604 -9.872 1.00 0.00 H new ATOM 1416 N PHE A 95 -4.984 -5.804 -4.745 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.496 -4.445 -4.392 1.00 0.00 C ATOM 1418 C PHE A 95 -3.015 -4.496 -4.009 1.00 0.00 C ATOM 1419 O PHE A 95 -2.214 -3.722 -4.494 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.296 -3.928 -3.198 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.771 -2.578 -2.786 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.740 -2.494 -1.843 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.307 -1.414 -3.344 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.245 -1.245 -1.458 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.811 -0.164 -2.959 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.780 -0.080 -2.016 1.00 0.00 C ATOM 0 H PHE A 95 -5.748 -6.152 -4.166 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.621 -3.786 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.352 -3.855 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.221 -4.628 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.327 -3.394 -1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.103 -1.480 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.450 -1.180 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.224 0.736 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.397 0.885 -1.719 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.643 -5.389 -3.132 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.214 -5.463 -2.716 1.00 0.00 C ATOM 1438 C VAL A 96 -0.341 -5.790 -3.926 1.00 0.00 C ATOM 1439 O VAL A 96 0.657 -5.145 -4.177 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.027 -6.560 -1.666 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.451 -6.635 -1.267 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.875 -6.247 -0.432 1.00 0.00 C ATOM 0 H VAL A 96 -3.263 -6.067 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.924 -4.500 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.342 -7.516 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.587 -7.416 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.054 -6.865 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.765 -5.677 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.738 -7.031 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.566 -5.290 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.926 -6.196 -0.716 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.699 -6.800 -4.669 1.00 0.00 N ATOM 1453 CA LYS A 97 0.123 -7.177 -5.850 1.00 0.00 C ATOM 1454 C LYS A 97 0.195 -6.009 -6.837 1.00 0.00 C ATOM 1455 O LYS A 97 1.250 -5.678 -7.337 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.496 -8.402 -6.522 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.300 -9.618 -5.612 1.00 0.00 C ATOM 1458 CD LYS A 97 -0.912 -10.860 -6.262 1.00 0.00 C ATOM 1459 CE LYS A 97 -0.711 -12.069 -5.346 1.00 0.00 C ATOM 1460 NZ LYS A 97 0.702 -12.533 -5.440 1.00 0.00 N ATOM 0 H LYS A 97 -1.523 -7.379 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 97 1.136 -7.416 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.557 -8.235 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.029 -8.577 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.763 -9.779 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.766 -9.437 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.975 -10.701 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.447 -11.043 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.950 -11.803 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.389 -12.873 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.741 -13.561 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.080 -12.307 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.273 -12.055 -4.714 1.00 0.00 H new ATOM 1474 N ASP A 98 -0.905 -5.367 -7.120 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.853 -4.221 -8.073 1.00 0.00 C ATOM 1476 C ASP A 98 0.089 -3.156 -7.513 1.00 0.00 C ATOM 1477 O ASP A 98 0.893 -2.583 -8.220 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.252 -3.622 -8.237 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.142 -4.599 -9.006 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.599 -5.460 -9.679 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.352 -4.469 -8.911 1.00 0.00 O ATOM 0 H ASP A 98 -1.826 -5.582 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.494 -4.566 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.685 -3.412 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.192 -2.673 -8.770 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.006 -2.897 -6.241 1.00 0.00 N ATOM 1487 CA LEU A 99 0.876 -1.879 -5.608 1.00 0.00 C ATOM 1488 C LEU A 99 2.337 -2.349 -5.693 1.00 0.00 C ATOM 1489 O LEU A 99 3.246 -1.559 -5.850 1.00 0.00 O ATOM 1490 CB LEU A 99 0.459 -1.699 -4.143 1.00 0.00 C ATOM 1491 CG LEU A 99 1.326 -0.629 -3.465 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.133 0.732 -4.162 1.00 0.00 C ATOM 1493 CD2 LEU A 99 0.916 -0.517 -1.992 1.00 0.00 C ATOM 0 H LEU A 99 -0.663 -3.351 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 99 0.782 -0.925 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.591 -1.412 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.557 -2.646 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 99 2.376 -0.913 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.753 1.483 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.423 0.649 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.086 1.028 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.526 0.241 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.135 -0.235 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.065 -1.478 -1.499 1.00 0.00 H new ATOM 1505 N LEU A 100 2.564 -3.632 -5.572 1.00 0.00 N ATOM 1506 CA LEU A 100 3.961 -4.166 -5.622 1.00 0.00 C ATOM 1507 C LEU A 100 4.645 -3.778 -6.939 1.00 0.00 C ATOM 1508 O LEU A 100 5.798 -3.388 -6.949 1.00 0.00 O ATOM 1509 CB LEU A 100 3.919 -5.696 -5.490 1.00 0.00 C ATOM 1510 CG LEU A 100 5.330 -6.294 -5.616 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.246 -5.730 -4.521 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.236 -7.815 -5.465 1.00 0.00 C ATOM 0 H LEU A 100 1.839 -4.337 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 100 4.534 -3.737 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.487 -5.971 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.272 -6.114 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 100 5.746 -6.036 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.242 -6.162 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.308 -4.646 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.839 -5.981 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.231 -8.252 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.818 -8.059 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.593 -8.219 -6.246 1.00 0.00 H new ATOM 1524 N LEU A 101 3.965 -3.881 -8.047 1.00 0.00 N ATOM 1525 CA LEU A 101 4.622 -3.516 -9.339 1.00 0.00 C ATOM 1526 C LEU A 101 5.055 -2.048 -9.287 1.00 0.00 C ATOM 1527 O LEU A 101 6.135 -1.696 -9.718 1.00 0.00 O ATOM 1528 CB LEU A 101 3.633 -3.716 -10.507 1.00 0.00 C ATOM 1529 CG LEU A 101 3.570 -5.194 -10.950 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.800 -5.561 -11.795 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.500 -6.118 -9.731 1.00 0.00 C ATOM 0 H LEU A 101 2.998 -4.197 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 101 5.492 -4.154 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.640 -3.383 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.934 -3.095 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 101 2.671 -5.324 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.735 -6.606 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.834 -4.929 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.705 -5.408 -11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.456 -7.155 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.386 -5.972 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.608 -5.885 -9.149 1.00 0.00 H new ATOM 1543 N HIS A 102 4.224 -1.193 -8.771 1.00 0.00 N ATOM 1544 CA HIS A 102 4.589 0.249 -8.700 1.00 0.00 C ATOM 1545 C HIS A 102 5.709 0.486 -7.682 1.00 0.00 C ATOM 1546 O HIS A 102 6.586 1.287 -7.906 1.00 0.00 O ATOM 1547 CB HIS A 102 3.356 1.074 -8.320 1.00 0.00 C ATOM 1548 CG HIS A 102 2.450 1.185 -9.515 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.592 2.196 -10.452 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.403 0.414 -9.951 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.655 2.008 -11.397 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.902 0.935 -11.141 1.00 0.00 N ATOM 0 H HIS A 102 3.306 -1.428 -8.394 1.00 0.00 H new ATOM 0 HA HIS A 102 4.951 0.560 -9.680 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.829 0.602 -7.491 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.657 2.066 -7.983 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.025 -0.464 -9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.527 2.647 -12.258 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.127 0.575 -11.697 1.00 0.00 H new ATOM 1560 N LEU A 103 5.688 -0.169 -6.558 1.00 0.00 N ATOM 1561 CA LEU A 103 6.761 0.096 -5.556 1.00 0.00 C ATOM 1562 C LEU A 103 8.141 -0.148 -6.176 1.00 0.00 C ATOM 1563 O LEU A 103 8.989 0.719 -6.155 1.00 0.00 O ATOM 1564 CB LEU A 103 6.578 -0.820 -4.339 1.00 0.00 C ATOM 1565 CG LEU A 103 5.333 -0.397 -3.542 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.029 -1.461 -2.480 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.565 0.966 -2.854 1.00 0.00 C ATOM 0 H LEU A 103 4.991 -0.864 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 103 6.692 1.137 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.476 -1.855 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.461 -0.772 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 103 4.491 -0.302 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.147 -1.166 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.844 -2.418 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.880 -1.556 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.673 1.248 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.412 0.890 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.775 1.724 -3.609 1.00 0.00 H new ATOM 1579 N LYS A 104 8.387 -1.301 -6.731 1.00 0.00 N ATOM 1580 CA LYS A 104 9.730 -1.544 -7.338 1.00 0.00 C ATOM 1581 C LYS A 104 9.914 -0.707 -8.612 1.00 0.00 C ATOM 1582 O LYS A 104 11.020 -0.493 -9.062 1.00 0.00 O ATOM 1583 CB LYS A 104 9.912 -3.030 -7.661 1.00 0.00 C ATOM 1584 CG LYS A 104 8.829 -3.496 -8.630 1.00 0.00 C ATOM 1585 CD LYS A 104 9.039 -4.984 -8.932 1.00 0.00 C ATOM 1586 CE LYS A 104 7.961 -5.488 -9.901 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.498 -6.636 -10.684 1.00 0.00 N ATOM 0 H LYS A 104 7.728 -2.078 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 104 10.486 -1.244 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.897 -3.197 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.866 -3.617 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.842 -3.335 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.872 -2.915 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.027 -5.138 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.003 -5.559 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.073 -5.794 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.657 -4.686 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.769 -6.979 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.333 -6.329 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.768 -7.403 -10.035 1.00 0.00 H new ATOM 1601 N LYS A 105 8.850 -0.249 -9.215 1.00 0.00 N ATOM 1602 CA LYS A 105 9.002 0.550 -10.470 1.00 0.00 C ATOM 1603 C LYS A 105 9.692 1.890 -10.177 1.00 0.00 C ATOM 1604 O LYS A 105 10.614 2.279 -10.866 1.00 0.00 O ATOM 1605 CB LYS A 105 7.625 0.801 -11.084 1.00 0.00 C ATOM 1606 CG LYS A 105 7.789 1.488 -12.442 1.00 0.00 C ATOM 1607 CD LYS A 105 6.412 1.720 -13.065 1.00 0.00 C ATOM 1608 CE LYS A 105 6.565 2.496 -14.375 1.00 0.00 C ATOM 1609 NZ LYS A 105 7.351 1.685 -15.349 1.00 0.00 N ATOM 0 H LYS A 105 7.891 -0.390 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 105 9.620 -0.011 -11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.091 -0.142 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.027 1.424 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.310 2.438 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.400 0.872 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.921 0.765 -13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.778 2.275 -12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.584 2.728 -14.788 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.066 3.446 -14.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.242 2.086 -16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.356 1.698 -15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.004 0.705 -15.344 1.00 0.00 H new ATOM 1623 N LEU A 106 9.268 2.598 -9.164 1.00 0.00 N ATOM 1624 CA LEU A 106 9.925 3.903 -8.846 1.00 0.00 C ATOM 1625 C LEU A 106 11.400 3.655 -8.524 1.00 0.00 C ATOM 1626 O LEU A 106 12.242 4.506 -8.733 1.00 0.00 O ATOM 1627 CB LEU A 106 9.231 4.573 -7.648 1.00 0.00 C ATOM 1628 CG LEU A 106 7.950 5.308 -8.097 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.296 6.602 -8.859 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.112 4.395 -8.999 1.00 0.00 C ATOM 0 H LEU A 106 8.501 2.333 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 106 9.844 4.567 -9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.981 3.821 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.914 5.279 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 106 7.379 5.569 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.376 7.101 -9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.870 7.264 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.887 6.357 -9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.210 4.921 -9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.694 4.119 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.835 3.495 -8.450 1.00 0.00 H new ATOM 1642 N PHE A 107 11.721 2.496 -8.019 1.00 0.00 N ATOM 1643 CA PHE A 107 13.142 2.201 -7.689 1.00 0.00 C ATOM 1644 C PHE A 107 13.972 2.308 -8.967 1.00 0.00 C ATOM 1645 O PHE A 107 15.077 2.813 -8.966 1.00 0.00 O ATOM 1646 CB PHE A 107 13.261 0.783 -7.127 1.00 0.00 C ATOM 1647 CG PHE A 107 14.702 0.518 -6.763 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.267 1.171 -5.664 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.475 -0.369 -7.522 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.601 0.942 -5.320 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.813 -0.602 -7.178 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.376 0.055 -6.076 1.00 0.00 C ATOM 0 H PHE A 107 11.062 1.743 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 107 13.502 2.911 -6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.624 0.671 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.919 0.056 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.670 1.855 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.040 -0.873 -8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.035 1.449 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.410 -1.287 -7.762 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.408 -0.123 -5.810 1.00 0.00 H new ATOM 1662 N ARG A 108 13.442 1.832 -10.058 1.00 0.00 N ATOM 1663 CA ARG A 108 14.183 1.897 -11.347 1.00 0.00 C ATOM 1664 C ARG A 108 14.445 3.361 -11.712 1.00 0.00 C ATOM 1665 O ARG A 108 15.456 3.691 -12.300 1.00 0.00 O ATOM 1666 CB ARG A 108 13.336 1.244 -12.447 1.00 0.00 C ATOM 1667 CG ARG A 108 13.073 -0.233 -12.114 1.00 0.00 C ATOM 1668 CD ARG A 108 14.292 -1.090 -12.478 1.00 0.00 C ATOM 1669 NE ARG A 108 13.964 -2.528 -12.265 1.00 0.00 N ATOM 1670 CZ ARG A 108 14.720 -3.455 -12.787 1.00 0.00 C ATOM 1671 NH1 ARG A 108 15.756 -3.123 -13.508 1.00 0.00 N ATOM 1672 NH2 ARG A 108 14.438 -4.714 -12.591 1.00 0.00 N ATOM 0 H ARG A 108 12.521 1.398 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 108 15.133 1.371 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.389 1.775 -12.549 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.850 1.322 -13.405 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.851 -0.339 -11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.197 -0.585 -12.660 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.574 -0.919 -13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 108 15.147 -0.805 -11.865 1.00 0.00 H new ATOM 0 HE ARG A 108 13.148 -2.788 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.975 -2.139 -13.664 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.347 -3.848 -13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.627 -4.974 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.029 -5.438 -12.999 1.00 0.00 H new ATOM 1686 N GLU A 109 13.537 4.242 -11.381 1.00 0.00 N ATOM 1687 CA GLU A 109 13.733 5.682 -11.726 1.00 0.00 C ATOM 1688 C GLU A 109 14.569 6.374 -10.645 1.00 0.00 C ATOM 1689 O GLU A 109 15.104 7.445 -10.856 1.00 0.00 O ATOM 1690 CB GLU A 109 12.367 6.366 -11.813 1.00 0.00 C ATOM 1691 CG GLU A 109 11.620 5.863 -13.049 1.00 0.00 C ATOM 1692 CD GLU A 109 10.196 6.423 -13.045 1.00 0.00 C ATOM 1693 OE1 GLU A 109 9.851 7.103 -12.093 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.474 6.157 -13.991 1.00 0.00 O ATOM 0 H GLU A 109 12.670 4.028 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 109 14.252 5.753 -12.682 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.786 6.157 -10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.493 7.447 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.142 6.173 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.594 4.773 -13.053 1.00 0.00 H new ATOM 1701 N GLY A 110 14.691 5.778 -9.491 1.00 0.00 N ATOM 1702 CA GLY A 110 15.498 6.412 -8.411 1.00 0.00 C ATOM 1703 C GLY A 110 14.771 7.657 -7.893 1.00 0.00 C ATOM 1704 O GLY A 110 15.267 8.362 -7.037 1.00 0.00 O ATOM 0 H GLY A 110 14.268 4.882 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.655 5.704 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.483 6.685 -8.791 1.00 0.00 H new ATOM 1708 N ARG A 111 13.595 7.932 -8.401 1.00 0.00 N ATOM 1709 CA ARG A 111 12.835 9.131 -7.929 1.00 0.00 C ATOM 1710 C ARG A 111 11.875 8.694 -6.825 1.00 0.00 C ATOM 1711 O ARG A 111 10.803 8.184 -7.084 1.00 0.00 O ATOM 1712 CB ARG A 111 12.032 9.727 -9.087 1.00 0.00 C ATOM 1713 CG ARG A 111 12.987 10.302 -10.135 1.00 0.00 C ATOM 1714 CD ARG A 111 12.173 10.900 -11.285 1.00 0.00 C ATOM 1715 NE ARG A 111 13.085 11.262 -12.406 1.00 0.00 N ATOM 1716 CZ ARG A 111 12.593 11.530 -13.584 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.303 11.482 -13.778 1.00 0.00 N ATOM 1718 NH2 ARG A 111 13.388 11.847 -14.569 1.00 0.00 N ATOM 0 H ARG A 111 13.129 7.379 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 111 13.530 9.882 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.401 8.960 -9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.369 10.509 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.620 11.067 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.648 9.520 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.426 10.183 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.634 11.783 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 111 14.093 11.300 -12.253 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.680 11.235 -13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.918 11.691 -14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.396 11.886 -14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.001 12.056 -15.489 1.00 0.00 H new ATOM 1732 N PHE A 112 12.261 8.876 -5.594 1.00 0.00 N ATOM 1733 CA PHE A 112 11.390 8.458 -4.458 1.00 0.00 C ATOM 1734 C PHE A 112 10.497 9.622 -4.028 1.00 0.00 C ATOM 1735 O PHE A 112 10.925 10.758 -3.965 1.00 0.00 O ATOM 1736 CB PHE A 112 12.290 8.024 -3.304 1.00 0.00 C ATOM 1737 CG PHE A 112 13.232 6.970 -3.825 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.806 5.644 -3.921 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.525 7.322 -4.236 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.670 4.668 -4.425 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.390 6.343 -4.739 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.961 5.015 -4.834 1.00 0.00 C ATOM 0 H PHE A 112 13.149 9.299 -5.323 1.00 0.00 H new ATOM 0 HA PHE A 112 10.746 7.631 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.848 8.875 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.693 7.630 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.809 5.373 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.854 8.348 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.339 3.643 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.387 6.613 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.626 4.258 -5.223 1.00 0.00 H new ATOM 1752 N ASN A 113 9.255 9.347 -3.736 1.00 0.00 N ATOM 1753 CA ASN A 113 8.327 10.434 -3.316 1.00 0.00 C ATOM 1754 C ASN A 113 8.365 11.563 -4.348 1.00 0.00 C ATOM 1755 CB ASN A 113 8.755 10.977 -1.951 1.00 0.00 C ATOM 1756 CG ASN A 113 7.682 11.933 -1.426 1.00 0.00 C ATOM 1757 OD1 ASN A 113 7.868 13.134 -1.428 1.00 0.00 O ATOM 1758 ND2 ASN A 113 6.559 11.448 -0.972 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.096 11.429 -5.316 1.00 0.00 O ATOM 0 H ASN A 113 8.843 8.415 -3.770 1.00 0.00 H new ATOM 0 HA ASN A 113 7.314 10.038 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.900 10.155 -1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.710 11.496 -2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.838 12.077 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.402 10.440 -0.970 1.00 0.00 H new