USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 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 45 THR OG1 : rot 180:sc= -0.645 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0118 K(o=-0.66,f=-2.7!) USER MOD Set 2.1: A 5 GLN : amide:sc= 0 X(o=-1.1,f=-1.2) USER MOD Set 2.2: A 81 THR OG1 : rot -140:sc= -1.09 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.56) USER MOD Single : A 16 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.3!) USER MOD Single : A 21 THR OG1 : rot 171:sc= -0.195 USER MOD Single : A 31 ASN : amide:sc= -1.97 K(o=-2,f=-0.79) USER MOD Single : A 32 LYS NZ :NH3+ -144:sc= 0.0175 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -1.36 (180deg=-2.55!) USER MOD Single : A 42 MET CE :methyl 140:sc= -1.24 (180deg=-3.66!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 126:sc= 0.635 USER MOD Single : A 63 GLN : amide:sc= -0.862 K(o=-0.86,f=-3.8!) USER MOD Single : A 64 HIS : no HD1:sc= -19.8! C(o=-20!,f=-19!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 0.0592 (180deg=0.0126) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-3.8) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.7!) USER MOD Single : A 105 MET CE :methyl -162:sc= -0.295 (180deg=-1.03) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -143:sc= -2.23 (180deg=-5!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.928 -5.589 -1.514 1.00 0.00 N ATOM 21 CA LYS A 2 -20.810 -4.860 -2.102 1.00 0.00 C ATOM 22 C LYS A 2 -19.487 -5.558 -1.802 1.00 0.00 C ATOM 23 O LYS A 2 -19.262 -6.031 -0.688 1.00 0.00 O ATOM 24 CB LYS A 2 -20.774 -3.425 -1.576 1.00 0.00 C ATOM 25 CG LYS A 2 -20.212 -2.424 -2.573 1.00 0.00 C ATOM 26 CD LYS A 2 -21.137 -2.247 -3.766 1.00 0.00 C ATOM 27 CE LYS A 2 -22.503 -1.729 -3.342 1.00 0.00 C ATOM 28 NZ LYS A 2 -23.348 -1.368 -4.513 1.00 0.00 N ATOM 0 HA LYS A 2 -20.952 -4.839 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.784 -3.123 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.174 -3.395 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.063 -1.463 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.234 -2.761 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.688 -1.552 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.253 -3.200 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.011 -2.489 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.377 -0.856 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.270 -1.020 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.876 -0.625 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.490 -2.207 -5.111 1.00 0.00 H new ATOM 42 N LYS A 3 -18.618 -5.618 -2.804 1.00 0.00 N ATOM 43 CA LYS A 3 -17.315 -6.256 -2.654 1.00 0.00 C ATOM 44 C LYS A 3 -16.235 -5.458 -3.372 1.00 0.00 C ATOM 45 O LYS A 3 -16.392 -5.091 -4.538 1.00 0.00 O ATOM 46 CB LYS A 3 -17.359 -7.686 -3.197 1.00 0.00 C ATOM 47 CG LYS A 3 -18.537 -8.496 -2.679 1.00 0.00 C ATOM 48 CD LYS A 3 -18.141 -9.935 -2.390 1.00 0.00 C ATOM 49 CE LYS A 3 -19.290 -10.894 -2.661 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.333 -12.004 -1.669 1.00 0.00 N ATOM 0 H LYS A 3 -18.793 -5.232 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.072 -6.287 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.403 -7.652 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.433 -8.196 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.925 -8.035 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.342 -8.480 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.284 -10.209 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.828 -10.025 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.233 -10.347 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.189 -11.308 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.130 -12.635 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.444 -12.542 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.455 -11.611 -0.714 1.00 0.00 H new ATOM 64 N LEU A 4 -15.140 -5.187 -2.671 1.00 0.00 N ATOM 65 CA LEU A 4 -14.038 -4.426 -3.243 1.00 0.00 C ATOM 66 C LEU A 4 -12.694 -4.907 -2.698 1.00 0.00 C ATOM 67 O LEU A 4 -12.504 -5.016 -1.487 1.00 0.00 O ATOM 68 CB LEU A 4 -14.228 -2.938 -2.950 1.00 0.00 C ATOM 69 CG LEU A 4 -14.468 -2.593 -1.480 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.149 -2.336 -0.772 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.384 -1.383 -1.360 1.00 0.00 C ATOM 0 H LEU A 4 -14.993 -5.483 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.036 -4.582 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.345 -2.400 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.072 -2.573 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.955 -3.442 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.339 -2.092 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.526 -3.228 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.635 -1.503 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.544 -1.151 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.923 -0.527 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.341 -1.603 -1.833 1.00 0.00 H new ATOM 83 N GLN A 5 -11.769 -5.203 -3.606 1.00 0.00 N ATOM 84 CA GLN A 5 -10.443 -5.682 -3.231 1.00 0.00 C ATOM 85 C GLN A 5 -9.389 -4.591 -3.345 1.00 0.00 C ATOM 86 O GLN A 5 -9.488 -3.693 -4.180 1.00 0.00 O ATOM 87 CB GLN A 5 -10.035 -6.853 -4.118 1.00 0.00 C ATOM 88 CG GLN A 5 -11.104 -7.918 -4.219 1.00 0.00 C ATOM 89 CD GLN A 5 -10.595 -9.205 -4.839 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.020 -9.199 -5.926 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.809 -10.318 -4.146 1.00 0.00 N ATOM 0 H GLN A 5 -11.915 -5.119 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.502 -5.998 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.804 -6.482 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.122 -7.299 -3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.495 -8.129 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.935 -7.537 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.291 -10.275 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.492 -11.216 -4.512 1.00 0.00 H new ATOM 100 N ILE A 6 -8.369 -4.699 -2.509 1.00 0.00 N ATOM 101 CA ILE A 6 -7.267 -3.755 -2.506 1.00 0.00 C ATOM 102 C ILE A 6 -5.967 -4.464 -2.140 1.00 0.00 C ATOM 103 O ILE A 6 -5.854 -5.052 -1.065 1.00 0.00 O ATOM 104 CB ILE A 6 -7.511 -2.595 -1.523 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.731 -1.782 -1.957 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.277 -1.706 -1.434 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.999 -2.165 -1.227 1.00 0.00 C ATOM 0 H ILE A 6 -8.283 -5.442 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.192 -3.340 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.706 -3.009 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.531 -0.724 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.884 -1.913 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.465 -0.891 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.429 -2.295 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.053 -1.295 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.824 -1.549 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.223 -3.215 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.865 -2.007 -0.157 1.00 0.00 H new ATOM 119 N ALA A 7 -4.986 -4.391 -3.027 1.00 0.00 N ATOM 120 CA ALA A 7 -3.695 -5.011 -2.778 1.00 0.00 C ATOM 121 C ALA A 7 -2.606 -3.972 -2.923 1.00 0.00 C ATOM 122 O ALA A 7 -2.520 -3.307 -3.946 1.00 0.00 O ATOM 123 CB ALA A 7 -3.463 -6.174 -3.731 1.00 0.00 C ATOM 0 H ALA A 7 -5.060 -3.910 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.677 -5.408 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.491 -6.623 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.245 -6.921 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.487 -5.812 -4.759 1.00 0.00 H new ATOM 129 N VAL A 8 -1.783 -3.817 -1.905 1.00 0.00 N ATOM 130 CA VAL A 8 -0.726 -2.824 -1.962 1.00 0.00 C ATOM 131 C VAL A 8 0.569 -3.349 -1.356 1.00 0.00 C ATOM 132 O VAL A 8 0.572 -4.327 -0.610 1.00 0.00 O ATOM 133 CB VAL A 8 -1.147 -1.502 -1.263 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.654 -1.455 -1.042 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.412 -1.311 0.056 1.00 0.00 C ATOM 0 H VAL A 8 -1.823 -4.356 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.549 -2.613 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.870 -0.682 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.921 -0.519 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.165 -1.519 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.956 -2.293 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.731 -0.377 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.640 -2.142 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.662 -1.277 -0.127 1.00 0.00 H new ATOM 145 N GLY A 9 1.663 -2.678 -1.685 1.00 0.00 N ATOM 146 CA GLY A 9 2.957 -3.066 -1.171 1.00 0.00 C ATOM 147 C GLY A 9 3.769 -1.868 -0.718 1.00 0.00 C ATOM 148 O GLY A 9 3.781 -0.834 -1.387 1.00 0.00 O ATOM 0 H GLY A 9 1.675 -1.867 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.824 -3.752 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.507 -3.606 -1.942 1.00 0.00 H new ATOM 152 N ILE A 10 4.462 -2.005 0.406 1.00 0.00 N ATOM 153 CA ILE A 10 5.289 -0.916 0.920 1.00 0.00 C ATOM 154 C ILE A 10 6.643 -0.938 0.226 1.00 0.00 C ATOM 155 O ILE A 10 7.418 -1.873 0.411 1.00 0.00 O ATOM 156 CB ILE A 10 5.505 -0.984 2.458 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.848 -2.225 3.075 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.970 0.276 3.123 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.666 -3.488 2.911 1.00 0.00 C ATOM 0 H ILE A 10 4.470 -2.851 0.976 1.00 0.00 H new ATOM 0 HA ILE A 10 4.755 0.011 0.711 1.00 0.00 H new ATOM 0 HB ILE A 10 6.578 -1.057 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.679 -2.047 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.870 -2.374 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.128 0.214 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.494 1.146 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.904 0.371 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.140 -4.324 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.813 -3.691 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.635 -3.359 3.393 1.00 0.00 H new ATOM 171 N ILE A 11 6.919 0.083 -0.585 1.00 0.00 N ATOM 172 CA ILE A 11 8.178 0.144 -1.323 1.00 0.00 C ATOM 173 C ILE A 11 9.352 0.418 -0.399 1.00 0.00 C ATOM 174 O ILE A 11 9.365 1.403 0.333 1.00 0.00 O ATOM 175 CB ILE A 11 8.165 1.216 -2.432 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.750 1.430 -2.977 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.109 0.807 -3.553 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.721 2.184 -4.287 1.00 0.00 C ATOM 0 H ILE A 11 6.293 0.872 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 11 8.293 -0.836 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 11 8.503 2.160 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.270 0.461 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.163 1.976 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.097 1.567 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.120 0.708 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.787 -0.147 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.689 2.301 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.172 3.167 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.281 1.629 -5.039 1.00 0.00 H new ATOM 190 N ARG A 12 10.333 -0.474 -0.436 1.00 0.00 N ATOM 191 CA ARG A 12 11.521 -0.357 0.401 1.00 0.00 C ATOM 192 C ARG A 12 12.625 0.432 -0.289 1.00 0.00 C ATOM 193 O ARG A 12 13.053 0.087 -1.395 1.00 0.00 O ATOM 194 CB ARG A 12 12.048 -1.741 0.775 1.00 0.00 C ATOM 195 CG ARG A 12 11.740 -2.139 2.208 1.00 0.00 C ATOM 196 CD ARG A 12 13.010 -2.313 3.028 1.00 0.00 C ATOM 197 NE ARG A 12 12.814 -3.221 4.155 1.00 0.00 N ATOM 198 CZ ARG A 12 12.799 -4.548 4.043 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.968 -5.123 2.859 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.615 -5.302 5.118 1.00 0.00 N ATOM 0 H ARG A 12 10.329 -1.294 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 12 11.227 0.182 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.616 -2.480 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.127 -1.763 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.110 -1.379 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.173 -3.070 2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.805 -2.696 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.339 -1.342 3.398 1.00 0.00 H new ATOM 0 HE ARG A 12 12.681 -2.815 5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.110 -4.548 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.956 -6.140 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.485 -4.866 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.603 -6.318 5.032 1.00 0.00 H new ATOM 214 N ASN A 13 13.082 1.481 0.390 1.00 0.00 N ATOM 215 CA ASN A 13 14.150 2.338 -0.121 1.00 0.00 C ATOM 216 C ASN A 13 15.525 1.740 0.134 1.00 0.00 C ATOM 217 O ASN A 13 15.665 0.594 0.561 1.00 0.00 O ATOM 218 CB ASN A 13 14.101 3.730 0.492 1.00 0.00 C ATOM 219 CG ASN A 13 14.577 4.808 -0.464 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.691 4.579 -1.667 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.865 5.989 0.069 1.00 0.00 N ATOM 0 H ASN A 13 12.726 1.760 1.304 1.00 0.00 H new ATOM 0 HA ASN A 13 13.985 2.414 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.079 3.950 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.718 3.749 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.195 6.750 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.756 6.136 1.072 1.00 0.00 H new ATOM 228 N GLU A 14 16.531 2.545 -0.158 1.00 0.00 N ATOM 229 CA GLU A 14 17.929 2.161 -0.004 1.00 0.00 C ATOM 230 C GLU A 14 18.421 2.308 1.441 1.00 0.00 C ATOM 231 O GLU A 14 19.601 2.101 1.719 1.00 0.00 O ATOM 232 CB GLU A 14 18.784 3.029 -0.927 1.00 0.00 C ATOM 233 CG GLU A 14 20.279 2.771 -0.813 1.00 0.00 C ATOM 234 CD GLU A 14 21.043 3.212 -2.045 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.445 4.393 -2.103 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.240 2.377 -2.953 1.00 0.00 O ATOM 0 H GLU A 14 16.403 3.493 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 14 18.018 1.107 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.474 2.859 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.589 4.078 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.669 3.296 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.449 1.707 -0.647 1.00 0.00 H new ATOM 243 N ASN A 15 17.528 2.672 2.359 1.00 0.00 N ATOM 244 CA ASN A 15 17.917 2.845 3.756 1.00 0.00 C ATOM 245 C ASN A 15 16.855 2.291 4.701 1.00 0.00 C ATOM 246 O ASN A 15 16.402 2.982 5.615 1.00 0.00 O ATOM 247 CB ASN A 15 18.161 4.326 4.054 1.00 0.00 C ATOM 248 CG ASN A 15 18.646 4.559 5.471 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.024 5.293 6.240 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.762 3.933 5.826 1.00 0.00 N ATOM 0 H ASN A 15 16.543 2.851 2.164 1.00 0.00 H new ATOM 0 HA ASN A 15 18.839 2.287 3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.897 4.718 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.238 4.883 3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.136 4.051 6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.246 3.334 5.157 1.00 0.00 H new ATOM 257 N ASN A 16 16.461 1.041 4.474 1.00 0.00 N ATOM 258 CA ASN A 16 15.448 0.381 5.300 1.00 0.00 C ATOM 259 C ASN A 16 14.245 1.293 5.546 1.00 0.00 C ATOM 260 O ASN A 16 13.515 1.126 6.524 1.00 0.00 O ATOM 261 CB ASN A 16 16.053 -0.069 6.635 1.00 0.00 C ATOM 262 CG ASN A 16 16.447 1.095 7.523 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.536 1.652 7.390 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.558 1.469 8.436 1.00 0.00 N ATOM 0 H ASN A 16 16.829 0.460 3.721 1.00 0.00 H new ATOM 0 HA ASN A 16 15.099 -0.496 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.333 -0.695 7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.931 -0.686 6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.766 2.247 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.667 0.978 8.511 1.00 0.00 H new ATOM 271 N GLU A 17 14.038 2.243 4.641 1.00 0.00 N ATOM 272 CA GLU A 17 12.919 3.168 4.736 1.00 0.00 C ATOM 273 C GLU A 17 12.010 2.965 3.536 1.00 0.00 C ATOM 274 O GLU A 17 12.488 2.766 2.428 1.00 0.00 O ATOM 275 CB GLU A 17 13.415 4.615 4.787 1.00 0.00 C ATOM 276 CG GLU A 17 14.398 4.959 3.680 1.00 0.00 C ATOM 277 CD GLU A 17 15.013 6.334 3.853 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.477 7.130 4.652 1.00 0.00 O ATOM 279 OE2 GLU A 17 16.033 6.617 3.187 1.00 0.00 O ATOM 0 H GLU A 17 14.636 2.392 3.828 1.00 0.00 H new ATOM 0 HA GLU A 17 12.366 2.971 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.559 5.287 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.889 4.794 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.190 4.211 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.887 4.912 2.718 1.00 0.00 H new ATOM 286 N ILE A 18 10.707 2.985 3.754 1.00 0.00 N ATOM 287 CA ILE A 18 9.767 2.766 2.666 1.00 0.00 C ATOM 288 C ILE A 18 9.078 4.059 2.235 1.00 0.00 C ATOM 289 O ILE A 18 8.700 4.887 3.062 1.00 0.00 O ATOM 290 CB ILE A 18 8.717 1.704 3.066 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.324 0.305 2.960 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.452 1.803 2.218 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.782 -0.667 3.984 1.00 0.00 C ATOM 0 H ILE A 18 10.278 3.149 4.665 1.00 0.00 H new ATOM 0 HA ILE A 18 10.337 2.400 1.812 1.00 0.00 H new ATOM 0 HB ILE A 18 8.428 1.895 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.136 -0.089 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.405 0.377 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.742 1.038 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.005 2.789 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.705 1.653 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.257 -1.639 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.994 -0.295 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.704 -0.769 3.855 1.00 0.00 H new ATOM 305 N PHE A 19 8.917 4.206 0.921 1.00 0.00 N ATOM 306 CA PHE A 19 8.270 5.376 0.346 1.00 0.00 C ATOM 307 C PHE A 19 6.752 5.236 0.423 1.00 0.00 C ATOM 308 O PHE A 19 6.120 4.690 -0.481 1.00 0.00 O ATOM 309 CB PHE A 19 8.724 5.557 -1.112 1.00 0.00 C ATOM 310 CG PHE A 19 7.820 6.424 -1.950 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.958 7.802 -1.947 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.839 5.855 -2.748 1.00 0.00 C ATOM 313 CE1 PHE A 19 7.133 8.596 -2.724 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.012 6.643 -3.524 1.00 0.00 C ATOM 315 CZ PHE A 19 6.160 8.016 -3.513 1.00 0.00 C ATOM 0 H PHE A 19 9.230 3.521 0.233 1.00 0.00 H new ATOM 0 HA PHE A 19 8.559 6.259 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.725 5.989 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.799 4.575 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.717 8.262 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.720 4.782 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.250 9.670 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.251 6.186 -4.139 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.516 8.635 -4.120 1.00 0.00 H new ATOM 325 N ILE A 20 6.172 5.734 1.508 1.00 0.00 N ATOM 326 CA ILE A 20 4.735 5.670 1.701 1.00 0.00 C ATOM 327 C ILE A 20 4.131 7.063 1.570 1.00 0.00 C ATOM 328 O ILE A 20 4.820 8.065 1.758 1.00 0.00 O ATOM 329 CB ILE A 20 4.364 5.090 3.083 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.571 5.086 4.026 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.806 3.684 2.935 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.221 4.722 5.453 1.00 0.00 C ATOM 0 H ILE A 20 6.679 6.187 2.268 1.00 0.00 H new ATOM 0 HA ILE A 20 4.334 5.009 0.933 1.00 0.00 H new ATOM 0 HB ILE A 20 3.597 5.730 3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.313 4.381 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.035 6.072 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.549 3.289 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.913 3.711 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.555 3.042 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.123 4.739 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.502 5.441 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.785 3.723 5.477 1.00 0.00 H new ATOM 344 N THR A 21 2.846 7.127 1.249 1.00 0.00 N ATOM 345 CA THR A 21 2.169 8.407 1.098 1.00 0.00 C ATOM 346 C THR A 21 1.991 9.086 2.452 1.00 0.00 C ATOM 347 O THR A 21 1.502 8.478 3.403 1.00 0.00 O ATOM 348 CB THR A 21 0.811 8.215 0.426 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.103 7.591 1.310 1.00 0.00 O ATOM 350 CG2 THR A 21 0.879 7.375 -0.831 1.00 0.00 C ATOM 0 H THR A 21 2.254 6.312 1.089 1.00 0.00 H new ATOM 0 HA THR A 21 2.787 9.047 0.468 1.00 0.00 H new ATOM 0 HB THR A 21 0.478 9.217 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.001 7.609 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.119 7.278 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.538 7.855 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.267 6.386 -0.587 1.00 0.00 H new ATOM 358 N ARG A 22 2.393 10.350 2.531 1.00 0.00 N ATOM 359 CA ARG A 22 2.278 11.113 3.768 1.00 0.00 C ATOM 360 C ARG A 22 1.577 12.442 3.518 1.00 0.00 C ATOM 361 O ARG A 22 2.177 13.384 3.000 1.00 0.00 O ATOM 362 CB ARG A 22 3.661 11.356 4.374 1.00 0.00 C ATOM 363 CG ARG A 22 3.629 11.648 5.866 1.00 0.00 C ATOM 364 CD ARG A 22 4.713 10.883 6.610 1.00 0.00 C ATOM 365 NE ARG A 22 4.245 10.390 7.904 1.00 0.00 N ATOM 366 CZ ARG A 22 4.026 11.171 8.960 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.231 12.480 8.880 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.603 10.642 10.099 1.00 0.00 N ATOM 0 H ARG A 22 2.801 10.868 1.753 1.00 0.00 H new ATOM 0 HA ARG A 22 1.681 10.533 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.285 10.480 4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.132 12.193 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.759 12.718 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.652 11.380 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.047 10.043 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.576 11.531 6.760 1.00 0.00 H new ATOM 0 HE ARG A 22 4.076 9.389 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.558 12.893 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.062 13.073 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.445 9.637 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.435 11.240 10.908 1.00 0.00 H new ATOM 493 N ASN A 31 -5.621 10.943 5.264 1.00 0.00 N ATOM 494 CA ASN A 31 -5.934 9.616 5.780 1.00 0.00 C ATOM 495 C ASN A 31 -5.691 8.541 4.722 1.00 0.00 C ATOM 496 O ASN A 31 -6.289 7.466 4.769 1.00 0.00 O ATOM 497 CB ASN A 31 -7.390 9.564 6.251 1.00 0.00 C ATOM 498 CG ASN A 31 -7.505 9.424 7.756 1.00 0.00 C ATOM 499 OD1 ASN A 31 -8.298 10.113 8.398 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.711 8.526 8.330 1.00 0.00 N ATOM 0 HA ASN A 31 -5.274 9.419 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.905 10.471 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.895 8.726 5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.745 8.387 9.340 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.068 7.976 7.761 1.00 0.00 H new ATOM 507 N LYS A 32 -4.811 8.834 3.767 1.00 0.00 N ATOM 508 CA LYS A 32 -4.498 7.887 2.701 1.00 0.00 C ATOM 509 C LYS A 32 -3.055 7.410 2.784 1.00 0.00 C ATOM 510 O LYS A 32 -2.459 7.020 1.780 1.00 0.00 O ATOM 511 CB LYS A 32 -4.771 8.509 1.330 1.00 0.00 C ATOM 512 CG LYS A 32 -5.504 7.578 0.377 1.00 0.00 C ATOM 513 CD LYS A 32 -4.581 7.054 -0.712 1.00 0.00 C ATOM 514 CE LYS A 32 -5.005 5.674 -1.185 1.00 0.00 C ATOM 515 NZ LYS A 32 -4.311 5.279 -2.442 1.00 0.00 N ATOM 0 H LYS A 32 -4.304 9.717 3.710 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.146 7.021 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.359 9.417 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.824 8.805 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.922 6.740 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.341 8.107 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.582 7.745 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.559 7.013 -0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.790 4.942 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.083 5.661 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.962 4.732 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.006 6.132 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.480 4.697 -2.212 1.00 0.00 H new ATOM 529 N LEU A 33 -2.505 7.447 3.986 1.00 0.00 N ATOM 530 CA LEU A 33 -1.127 7.019 4.215 1.00 0.00 C ATOM 531 C LEU A 33 -0.978 5.516 3.994 1.00 0.00 C ATOM 532 O LEU A 33 -0.777 4.755 4.939 1.00 0.00 O ATOM 533 CB LEU A 33 -0.689 7.385 5.636 1.00 0.00 C ATOM 534 CG LEU A 33 0.820 7.318 5.889 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.386 8.710 6.135 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.127 6.401 7.065 1.00 0.00 C ATOM 0 H LEU A 33 -2.990 7.769 4.823 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.488 7.536 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.034 8.395 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.189 6.717 6.337 1.00 0.00 H new ATOM 0 HG LEU A 33 1.297 6.906 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.459 8.640 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.203 9.337 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.902 9.151 7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.204 6.367 7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.636 6.781 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.761 5.397 6.849 1.00 0.00 H new ATOM 548 N GLU A 34 -1.075 5.098 2.736 1.00 0.00 N ATOM 549 CA GLU A 34 -0.953 3.688 2.386 1.00 0.00 C ATOM 550 C GLU A 34 0.144 3.484 1.346 1.00 0.00 C ATOM 551 O GLU A 34 0.879 4.415 1.018 1.00 0.00 O ATOM 552 CB GLU A 34 -2.287 3.157 1.854 1.00 0.00 C ATOM 553 CG GLU A 34 -3.097 2.400 2.893 1.00 0.00 C ATOM 554 CD GLU A 34 -3.769 1.165 2.323 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.068 1.159 1.111 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.995 0.205 3.089 1.00 0.00 O ATOM 0 H GLU A 34 -1.238 5.717 1.942 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.684 3.134 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.879 3.993 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.095 2.500 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.444 2.107 3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.856 3.062 3.310 1.00 0.00 H new ATOM 563 N PHE A 35 0.255 2.262 0.830 1.00 0.00 N ATOM 564 CA PHE A 35 1.273 1.953 -0.171 1.00 0.00 C ATOM 565 C PHE A 35 0.635 1.693 -1.539 1.00 0.00 C ATOM 566 O PHE A 35 -0.579 1.520 -1.647 1.00 0.00 O ATOM 567 CB PHE A 35 2.137 0.750 0.254 1.00 0.00 C ATOM 568 CG PHE A 35 1.943 0.293 1.680 1.00 0.00 C ATOM 569 CD1 PHE A 35 1.845 1.210 2.716 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.870 -1.058 1.981 1.00 0.00 C ATOM 571 CE1 PHE A 35 1.675 0.788 4.022 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.700 -1.485 3.283 1.00 0.00 C ATOM 573 CZ PHE A 35 1.601 -0.561 4.305 1.00 0.00 C ATOM 0 H PHE A 35 -0.342 1.476 1.086 1.00 0.00 H new ATOM 0 HA PHE A 35 1.924 2.823 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.921 -0.086 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.186 1.008 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.902 2.267 2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.947 -1.786 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.600 1.513 4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.644 -2.541 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.466 -0.893 5.324 1.00 0.00 H new ATOM 583 N PRO A 36 1.457 1.683 -2.606 1.00 0.00 N ATOM 584 CA PRO A 36 0.991 1.470 -3.987 1.00 0.00 C ATOM 585 C PRO A 36 0.412 0.078 -4.245 1.00 0.00 C ATOM 586 O PRO A 36 0.582 -0.843 -3.449 1.00 0.00 O ATOM 587 CB PRO A 36 2.251 1.678 -4.831 1.00 0.00 C ATOM 588 CG PRO A 36 3.383 1.433 -3.898 1.00 0.00 C ATOM 589 CD PRO A 36 2.914 1.906 -2.553 1.00 0.00 C ATOM 0 HA PRO A 36 0.171 2.149 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.279 0.989 -5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.289 2.687 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.646 0.375 -3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.274 1.975 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.378 1.343 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.155 2.956 -2.389 1.00 0.00 H new ATOM 597 N GLY A 37 -0.261 -0.046 -5.388 1.00 0.00 N ATOM 598 CA GLY A 37 -0.870 -1.299 -5.807 1.00 0.00 C ATOM 599 C GLY A 37 -2.373 -1.362 -5.584 1.00 0.00 C ATOM 600 O GLY A 37 -3.022 -2.303 -6.023 1.00 0.00 O ATOM 0 H GLY A 37 -0.397 0.721 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.663 -1.455 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.398 -2.119 -5.266 1.00 0.00 H new ATOM 604 N GLY A 38 -2.933 -0.355 -4.940 1.00 0.00 N ATOM 605 CA GLY A 38 -4.366 -0.317 -4.705 1.00 0.00 C ATOM 606 C GLY A 38 -5.170 -0.400 -5.993 1.00 0.00 C ATOM 607 O GLY A 38 -4.668 -0.039 -7.059 1.00 0.00 O ATOM 0 H GLY A 38 -2.420 0.446 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.646 -1.144 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.621 0.604 -4.180 1.00 0.00 H new ATOM 611 N LYS A 39 -6.422 -0.869 -5.895 1.00 0.00 N ATOM 612 CA LYS A 39 -7.306 -0.993 -7.050 1.00 0.00 C ATOM 613 C LYS A 39 -7.089 -2.301 -7.799 1.00 0.00 C ATOM 614 O LYS A 39 -7.676 -2.516 -8.860 1.00 0.00 O ATOM 615 CB LYS A 39 -7.144 0.183 -8.008 1.00 0.00 C ATOM 616 CG LYS A 39 -8.188 0.194 -9.105 1.00 0.00 C ATOM 617 CD LYS A 39 -8.931 1.520 -9.157 1.00 0.00 C ATOM 618 CE LYS A 39 -9.940 1.640 -8.023 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.285 1.933 -6.715 1.00 0.00 N ATOM 0 H LYS A 39 -6.843 -1.170 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.323 -0.989 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.204 1.115 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.152 0.146 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.709 0.007 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.899 -0.616 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.216 2.341 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.445 1.613 -10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.653 2.431 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.507 0.713 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.976 2.366 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.930 1.049 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.492 2.589 -6.863 1.00 0.00 H new ATOM 633 N ILE A 40 -6.268 -3.187 -7.245 1.00 0.00 N ATOM 634 CA ILE A 40 -6.021 -4.477 -7.877 1.00 0.00 C ATOM 635 C ILE A 40 -7.338 -5.163 -8.199 1.00 0.00 C ATOM 636 O ILE A 40 -7.447 -5.943 -9.145 1.00 0.00 O ATOM 637 CB ILE A 40 -5.161 -5.399 -6.998 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.965 -5.954 -5.811 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.937 -4.643 -6.519 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.695 -7.417 -5.529 1.00 0.00 C ATOM 0 H ILE A 40 -5.767 -3.038 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.469 -4.284 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.842 -6.253 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.731 -5.371 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.029 -5.821 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.327 -5.296 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.354 -4.313 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.250 -3.775 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.296 -7.741 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.956 -8.011 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.638 -7.554 -5.299 1.00 0.00 H new ATOM 652 N GLU A 41 -8.334 -4.835 -7.389 1.00 0.00 N ATOM 653 CA GLU A 41 -9.681 -5.365 -7.528 1.00 0.00 C ATOM 654 C GLU A 41 -10.077 -5.452 -8.995 1.00 0.00 C ATOM 655 O GLU A 41 -10.349 -6.537 -9.508 1.00 0.00 O ATOM 656 CB GLU A 41 -10.655 -4.462 -6.771 1.00 0.00 C ATOM 657 CG GLU A 41 -10.328 -2.973 -6.881 1.00 0.00 C ATOM 658 CD GLU A 41 -11.377 -2.200 -7.656 1.00 0.00 C ATOM 659 OE1 GLU A 41 -11.897 -2.742 -8.653 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.679 -1.053 -7.263 1.00 0.00 O ATOM 0 H GLU A 41 -8.228 -4.187 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.713 -6.371 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.663 -4.632 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.658 -4.747 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.236 -2.550 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.360 -2.853 -7.368 1.00 0.00 H new ATOM 667 N MET A 42 -10.087 -4.292 -9.654 1.00 0.00 N ATOM 668 CA MET A 42 -10.428 -4.180 -11.080 1.00 0.00 C ATOM 669 C MET A 42 -10.902 -5.508 -11.676 1.00 0.00 C ATOM 670 O MET A 42 -12.102 -5.745 -11.812 1.00 0.00 O ATOM 671 CB MET A 42 -9.216 -3.668 -11.862 1.00 0.00 C ATOM 672 CG MET A 42 -8.875 -2.216 -11.574 1.00 0.00 C ATOM 673 SD MET A 42 -9.822 -1.065 -12.587 1.00 0.00 S ATOM 674 CE MET A 42 -11.371 -1.019 -11.689 1.00 0.00 C ATOM 0 H MET A 42 -9.859 -3.400 -9.216 1.00 0.00 H new ATOM 0 HA MET A 42 -11.255 -3.475 -11.160 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.352 -4.289 -11.625 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.408 -3.783 -12.929 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.062 -2.005 -10.521 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.811 -2.056 -11.747 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.751 0.003 -11.671 1.00 0.00 H new ATOM 0 HE2 MET A 42 -12.096 -1.667 -12.181 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.210 -1.365 -10.668 1.00 0.00 H new ATOM 684 N GLY A 43 -9.949 -6.368 -12.032 1.00 0.00 N ATOM 685 CA GLY A 43 -10.290 -7.656 -12.610 1.00 0.00 C ATOM 686 C GLY A 43 -9.081 -8.537 -12.843 1.00 0.00 C ATOM 687 O GLY A 43 -9.073 -9.370 -13.748 1.00 0.00 O ATOM 0 H GLY A 43 -8.949 -6.195 -11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.987 -8.172 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.806 -7.498 -13.557 1.00 0.00 H new ATOM 691 N GLU A 44 -8.061 -8.347 -12.026 1.00 0.00 N ATOM 692 CA GLU A 44 -6.830 -9.123 -12.137 1.00 0.00 C ATOM 693 C GLU A 44 -6.857 -10.331 -11.204 1.00 0.00 C ATOM 694 O GLU A 44 -7.866 -10.601 -10.552 1.00 0.00 O ATOM 695 CB GLU A 44 -5.620 -8.242 -11.817 1.00 0.00 C ATOM 696 CG GLU A 44 -5.007 -7.584 -13.043 1.00 0.00 C ATOM 697 CD GLU A 44 -5.990 -6.695 -13.781 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.376 -5.646 -13.223 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.373 -7.048 -14.916 1.00 0.00 O ATOM 0 H GLU A 44 -8.057 -7.659 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.749 -9.484 -13.162 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.921 -7.468 -11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.861 -8.847 -11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.144 -6.991 -12.739 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.641 -8.356 -13.720 1.00 0.00 H new ATOM 706 N THR A 45 -5.740 -11.051 -11.141 1.00 0.00 N ATOM 707 CA THR A 45 -5.632 -12.224 -10.284 1.00 0.00 C ATOM 708 C THR A 45 -4.699 -11.926 -9.117 1.00 0.00 C ATOM 709 O THR A 45 -3.849 -11.045 -9.212 1.00 0.00 O ATOM 710 CB THR A 45 -5.107 -13.421 -11.086 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.996 -13.097 -12.461 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.986 -14.648 -10.978 1.00 0.00 C ATOM 0 H THR A 45 -4.897 -10.841 -11.675 1.00 0.00 H new ATOM 0 HA THR A 45 -6.620 -12.471 -9.896 1.00 0.00 H new ATOM 0 HB THR A 45 -4.133 -13.650 -10.653 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.658 -13.874 -12.954 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.556 -15.457 -11.569 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.053 -14.957 -9.935 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.983 -14.415 -11.352 1.00 0.00 H new ATOM 720 N PRO A 46 -4.833 -12.656 -7.999 1.00 0.00 N ATOM 721 CA PRO A 46 -3.991 -12.460 -6.819 1.00 0.00 C ATOM 722 C PRO A 46 -2.514 -12.281 -7.171 1.00 0.00 C ATOM 723 O PRO A 46 -1.754 -11.683 -6.408 1.00 0.00 O ATOM 724 CB PRO A 46 -4.200 -13.750 -6.003 1.00 0.00 C ATOM 725 CG PRO A 46 -5.054 -14.638 -6.851 1.00 0.00 C ATOM 726 CD PRO A 46 -5.801 -13.731 -7.781 1.00 0.00 C ATOM 0 HA PRO A 46 -4.262 -11.552 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.247 -14.227 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.685 -13.535 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.444 -15.350 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.742 -15.219 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.071 -14.232 -8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.726 -13.363 -7.337 1.00 0.00 H new ATOM 734 N GLU A 47 -2.110 -12.806 -8.324 1.00 0.00 N ATOM 735 CA GLU A 47 -0.724 -12.706 -8.764 1.00 0.00 C ATOM 736 C GLU A 47 -0.477 -11.450 -9.602 1.00 0.00 C ATOM 737 O GLU A 47 0.380 -10.634 -9.264 1.00 0.00 O ATOM 738 CB GLU A 47 -0.335 -13.950 -9.567 1.00 0.00 C ATOM 739 CG GLU A 47 1.048 -14.481 -9.233 1.00 0.00 C ATOM 740 CD GLU A 47 1.004 -15.673 -8.296 1.00 0.00 C ATOM 741 OE1 GLU A 47 0.431 -16.712 -8.684 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.542 -15.566 -7.174 1.00 0.00 O ATOM 0 H GLU A 47 -2.723 -13.304 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.103 -12.636 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.070 -14.734 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.377 -13.714 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.556 -14.766 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.638 -13.686 -8.777 1.00 0.00 H new ATOM 749 N GLN A 48 -1.216 -11.302 -10.700 1.00 0.00 N ATOM 750 CA GLN A 48 -1.047 -10.147 -11.578 1.00 0.00 C ATOM 751 C GLN A 48 -1.770 -8.913 -11.042 1.00 0.00 C ATOM 752 O GLN A 48 -1.672 -7.831 -11.620 1.00 0.00 O ATOM 753 CB GLN A 48 -1.535 -10.472 -12.992 1.00 0.00 C ATOM 754 CG GLN A 48 -3.026 -10.748 -13.079 1.00 0.00 C ATOM 755 CD GLN A 48 -3.471 -11.109 -14.482 1.00 0.00 C ATOM 756 OE1 GLN A 48 -3.936 -10.255 -15.237 1.00 0.00 O ATOM 757 NE2 GLN A 48 -3.331 -12.380 -14.839 1.00 0.00 N ATOM 0 H GLN A 48 -1.933 -11.963 -11.001 1.00 0.00 H new ATOM 0 HA GLN A 48 0.018 -9.918 -11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.290 -9.639 -13.651 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.992 -11.341 -13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.281 -11.562 -12.400 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.575 -9.868 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.941 -13.055 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.614 -12.682 -15.771 1.00 0.00 H new ATOM 766 N ALA A 49 -2.499 -9.075 -9.943 1.00 0.00 N ATOM 767 CA ALA A 49 -3.234 -7.968 -9.348 1.00 0.00 C ATOM 768 C ALA A 49 -2.294 -6.835 -8.962 1.00 0.00 C ATOM 769 O ALA A 49 -2.447 -5.702 -9.416 1.00 0.00 O ATOM 770 CB ALA A 49 -4.005 -8.452 -8.128 1.00 0.00 C ATOM 0 H ALA A 49 -2.596 -9.961 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.938 -7.586 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.552 -7.618 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.708 -9.230 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.308 -8.856 -7.394 1.00 0.00 H new ATOM 776 N VAL A 50 -1.320 -7.152 -8.118 1.00 0.00 N ATOM 777 CA VAL A 50 -0.349 -6.159 -7.668 1.00 0.00 C ATOM 778 C VAL A 50 0.727 -5.912 -8.722 1.00 0.00 C ATOM 779 O VAL A 50 1.083 -4.770 -9.001 1.00 0.00 O ATOM 780 CB VAL A 50 0.317 -6.562 -6.330 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.675 -7.284 -5.430 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.556 -7.417 -6.563 1.00 0.00 C ATOM 0 H VAL A 50 -1.180 -8.086 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.906 -5.236 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 50 0.634 -5.648 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.186 -7.558 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.519 -6.628 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.032 -8.184 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.000 -7.683 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.276 -8.325 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.279 -6.856 -7.154 1.00 0.00 H new ATOM 792 N VAL A 51 1.253 -6.994 -9.290 1.00 0.00 N ATOM 793 CA VAL A 51 2.303 -6.895 -10.299 1.00 0.00 C ATOM 794 C VAL A 51 1.900 -5.947 -11.417 1.00 0.00 C ATOM 795 O VAL A 51 2.722 -5.184 -11.923 1.00 0.00 O ATOM 796 CB VAL A 51 2.642 -8.272 -10.904 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.826 -8.164 -11.854 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.924 -9.286 -9.807 1.00 0.00 C ATOM 0 H VAL A 51 0.969 -7.948 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 51 3.187 -6.505 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 51 1.778 -8.617 -11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.049 -9.146 -12.270 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.582 -7.474 -12.662 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.696 -7.794 -11.311 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.161 -10.251 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.769 -8.947 -9.207 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.045 -9.388 -9.171 1.00 0.00 H new ATOM 808 N ARG A 52 0.631 -5.995 -11.798 1.00 0.00 N ATOM 809 CA ARG A 52 0.136 -5.131 -12.855 1.00 0.00 C ATOM 810 C ARG A 52 -0.100 -3.723 -12.327 1.00 0.00 C ATOM 811 O ARG A 52 0.226 -2.737 -12.989 1.00 0.00 O ATOM 812 CB ARG A 52 -1.154 -5.692 -13.457 1.00 0.00 C ATOM 813 CG ARG A 52 -0.947 -6.969 -14.257 1.00 0.00 C ATOM 814 CD ARG A 52 -0.341 -6.680 -15.621 1.00 0.00 C ATOM 815 NE ARG A 52 -1.317 -6.835 -16.698 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.653 -8.006 -17.232 1.00 0.00 C ATOM 817 NH1 ARG A 52 -1.098 -9.129 -16.791 1.00 0.00 N ATOM 818 NH2 ARG A 52 -2.548 -8.057 -18.209 1.00 0.00 N ATOM 0 H ARG A 52 -0.068 -6.618 -11.394 1.00 0.00 H new ATOM 0 HA ARG A 52 0.892 -5.089 -13.639 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.865 -5.887 -12.654 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.602 -4.937 -14.103 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.295 -7.645 -13.704 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.902 -7.480 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.055 -5.665 -15.634 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.500 -7.352 -15.794 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.767 -5.995 -17.062 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.410 -9.097 -16.039 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.360 -10.024 -17.205 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.979 -7.198 -18.551 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.806 -8.955 -18.618 1.00 0.00 H new ATOM 832 N GLU A 53 -0.660 -3.637 -11.127 1.00 0.00 N ATOM 833 CA GLU A 53 -0.929 -2.350 -10.503 1.00 0.00 C ATOM 834 C GLU A 53 0.370 -1.680 -10.063 1.00 0.00 C ATOM 835 O GLU A 53 0.413 -0.468 -9.856 1.00 0.00 O ATOM 836 CB GLU A 53 -1.864 -2.525 -9.305 1.00 0.00 C ATOM 837 CG GLU A 53 -2.923 -1.439 -9.200 1.00 0.00 C ATOM 838 CD GLU A 53 -4.217 -1.815 -9.898 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.383 -3.004 -10.242 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.062 -0.919 -10.100 1.00 0.00 O ATOM 0 H GLU A 53 -0.936 -4.444 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.415 -1.709 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.355 -3.495 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.272 -2.534 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.127 -1.237 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.536 -0.516 -9.633 1.00 0.00 H new ATOM 847 N LEU A 54 1.429 -2.475 -9.922 1.00 0.00 N ATOM 848 CA LEU A 54 2.726 -1.953 -9.508 1.00 0.00 C ATOM 849 C LEU A 54 3.207 -0.890 -10.486 1.00 0.00 C ATOM 850 O LEU A 54 3.678 0.171 -10.083 1.00 0.00 O ATOM 851 CB LEU A 54 3.754 -3.088 -9.426 1.00 0.00 C ATOM 852 CG LEU A 54 4.563 -3.142 -8.127 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.942 -4.133 -7.153 1.00 0.00 C ATOM 854 CD2 LEU A 54 6.018 -3.500 -8.413 1.00 0.00 C ATOM 0 H LEU A 54 1.413 -3.481 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 54 2.617 -1.501 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.234 -4.038 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.446 -2.991 -10.263 1.00 0.00 H new ATOM 0 HG LEU A 54 4.543 -2.154 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.530 -4.158 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.922 -3.826 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.929 -5.126 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.575 -3.533 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.064 -4.475 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.456 -2.748 -9.069 1.00 0.00 H new ATOM 866 N GLN A 55 3.073 -1.174 -11.774 1.00 0.00 N ATOM 867 CA GLN A 55 3.485 -0.233 -12.806 1.00 0.00 C ATOM 868 C GLN A 55 2.549 0.971 -12.830 1.00 0.00 C ATOM 869 O GLN A 55 2.960 2.088 -13.140 1.00 0.00 O ATOM 870 CB GLN A 55 3.498 -0.919 -14.175 1.00 0.00 C ATOM 871 CG GLN A 55 4.848 -0.859 -14.872 1.00 0.00 C ATOM 872 CD GLN A 55 4.736 -0.461 -16.330 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.175 -1.195 -17.145 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.269 0.707 -16.668 1.00 0.00 N ATOM 0 H GLN A 55 2.683 -2.047 -12.129 1.00 0.00 H new ATOM 0 HA GLN A 55 4.493 0.113 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.208 -1.962 -14.052 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.748 -0.452 -14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.489 -0.146 -14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.332 -1.833 -14.802 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.724 1.284 -15.961 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.223 1.028 -17.635 1.00 0.00 H new ATOM 883 N GLU A 56 1.286 0.727 -12.500 1.00 0.00 N ATOM 884 CA GLU A 56 0.277 1.778 -12.476 1.00 0.00 C ATOM 885 C GLU A 56 0.404 2.644 -11.233 1.00 0.00 C ATOM 886 O GLU A 56 0.083 3.832 -11.258 1.00 0.00 O ATOM 887 CB GLU A 56 -1.120 1.162 -12.511 1.00 0.00 C ATOM 888 CG GLU A 56 -2.192 2.099 -13.043 1.00 0.00 C ATOM 889 CD GLU A 56 -3.518 1.935 -12.327 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.522 1.410 -11.192 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.555 2.331 -12.900 1.00 0.00 O ATOM 0 H GLU A 56 0.935 -0.196 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 56 0.434 2.404 -13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.096 0.265 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.393 0.847 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.852 3.130 -12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.333 1.916 -14.108 1.00 0.00 H new ATOM 898 N GLU A 57 0.846 2.039 -10.136 1.00 0.00 N ATOM 899 CA GLU A 57 0.975 2.763 -8.882 1.00 0.00 C ATOM 900 C GLU A 57 2.433 3.026 -8.505 1.00 0.00 C ATOM 901 O GLU A 57 2.713 3.587 -7.446 1.00 0.00 O ATOM 902 CB GLU A 57 0.278 1.995 -7.765 1.00 0.00 C ATOM 903 CG GLU A 57 -0.928 2.720 -7.195 1.00 0.00 C ATOM 904 CD GLU A 57 -2.217 1.943 -7.377 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.376 1.300 -8.434 1.00 0.00 O ATOM 906 OE2 GLU A 57 -3.066 1.980 -6.462 1.00 0.00 O ATOM 0 H GLU A 57 1.118 1.057 -10.092 1.00 0.00 H new ATOM 0 HA GLU A 57 0.498 3.734 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.038 1.023 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.992 1.807 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.767 2.905 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.024 3.693 -7.677 1.00 0.00 H new ATOM 913 N VAL A 58 3.356 2.647 -9.381 1.00 0.00 N ATOM 914 CA VAL A 58 4.774 2.876 -9.140 1.00 0.00 C ATOM 915 C VAL A 58 5.430 3.426 -10.394 1.00 0.00 C ATOM 916 O VAL A 58 6.211 4.376 -10.341 1.00 0.00 O ATOM 917 CB VAL A 58 5.503 1.591 -8.706 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.892 1.917 -8.183 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.695 0.842 -7.656 1.00 0.00 C ATOM 0 H VAL A 58 3.147 2.180 -10.264 1.00 0.00 H new ATOM 0 HA VAL A 58 4.852 3.598 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 58 5.608 0.945 -9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.392 0.997 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.471 2.404 -8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.810 2.584 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.228 -0.063 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.554 1.479 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.723 0.573 -8.069 1.00 0.00 H new ATOM 929 N GLY A 59 5.087 2.823 -11.528 1.00 0.00 N ATOM 930 CA GLY A 59 5.622 3.253 -12.803 1.00 0.00 C ATOM 931 C GLY A 59 7.104 2.987 -12.972 1.00 0.00 C ATOM 932 O GLY A 59 7.570 2.722 -14.080 1.00 0.00 O ATOM 0 H GLY A 59 4.441 2.036 -11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.079 2.748 -13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.440 4.321 -12.920 1.00 0.00 H new ATOM 936 N ILE A 60 7.843 3.059 -11.882 1.00 0.00 N ATOM 937 CA ILE A 60 9.280 2.828 -11.917 1.00 0.00 C ATOM 938 C ILE A 60 9.582 1.334 -11.991 1.00 0.00 C ATOM 939 O ILE A 60 8.669 0.510 -11.998 1.00 0.00 O ATOM 940 CB ILE A 60 9.986 3.452 -10.679 1.00 0.00 C ATOM 941 CG1 ILE A 60 11.457 3.788 -10.971 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.888 2.529 -9.471 1.00 0.00 C ATOM 943 CD1 ILE A 60 11.753 4.118 -12.419 1.00 0.00 C ATOM 0 H ILE A 60 7.473 3.276 -10.956 1.00 0.00 H new ATOM 0 HA ILE A 60 9.669 3.314 -12.812 1.00 0.00 H new ATOM 0 HB ILE A 60 9.467 4.383 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.752 4.635 -10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 60 12.076 2.942 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.390 2.989 -8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.839 2.360 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.365 1.576 -9.701 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.814 4.342 -12.532 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.493 3.266 -13.047 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.165 4.984 -12.722 1.00 0.00 H new ATOM 955 N THR A 61 10.864 0.994 -12.045 1.00 0.00 N ATOM 956 CA THR A 61 11.288 -0.385 -12.109 1.00 0.00 C ATOM 957 C THR A 61 11.993 -0.762 -10.815 1.00 0.00 C ATOM 958 O THR A 61 13.206 -0.595 -10.689 1.00 0.00 O ATOM 959 CB THR A 61 12.240 -0.553 -13.282 1.00 0.00 C ATOM 960 OG1 THR A 61 12.842 0.686 -13.618 1.00 0.00 O ATOM 961 CG2 THR A 61 11.569 -1.084 -14.527 1.00 0.00 C ATOM 0 H THR A 61 11.630 1.668 -12.045 1.00 0.00 H new ATOM 0 HA THR A 61 10.422 -1.034 -12.243 1.00 0.00 H new ATOM 0 HB THR A 61 12.982 -1.280 -12.950 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.817 0.587 -13.618 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.306 -1.180 -15.325 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.133 -2.061 -14.317 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.784 -0.395 -14.839 1.00 0.00 H new ATOM 969 N PRO A 62 11.237 -1.225 -9.812 1.00 0.00 N ATOM 970 CA PRO A 62 11.761 -1.568 -8.511 1.00 0.00 C ATOM 971 C PRO A 62 11.741 -3.055 -8.211 1.00 0.00 C ATOM 972 O PRO A 62 10.778 -3.744 -8.550 1.00 0.00 O ATOM 973 CB PRO A 62 10.714 -0.882 -7.647 1.00 0.00 C ATOM 974 CG PRO A 62 9.425 -1.184 -8.351 1.00 0.00 C ATOM 975 CD PRO A 62 9.776 -1.391 -9.810 1.00 0.00 C ATOM 0 HA PRO A 62 12.804 -1.282 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.716 -1.272 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.891 0.191 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.954 -2.074 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.717 -0.364 -8.234 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.479 -2.379 -10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.284 -0.662 -10.453 1.00 0.00 H new ATOM 983 N GLN A 63 12.755 -3.541 -7.500 1.00 0.00 N ATOM 984 CA GLN A 63 12.745 -4.932 -7.095 1.00 0.00 C ATOM 985 C GLN A 63 11.735 -5.009 -5.969 1.00 0.00 C ATOM 986 O GLN A 63 12.076 -4.960 -4.788 1.00 0.00 O ATOM 987 CB GLN A 63 14.127 -5.391 -6.630 1.00 0.00 C ATOM 988 CG GLN A 63 15.253 -4.924 -7.535 1.00 0.00 C ATOM 989 CD GLN A 63 16.625 -5.226 -6.965 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.387 -4.318 -6.636 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.945 -6.509 -6.846 1.00 0.00 N ATOM 0 H GLN A 63 13.570 -3.005 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 63 12.482 -5.589 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.304 -5.020 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.141 -6.480 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.155 -5.405 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.160 -3.850 -7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.281 -7.229 -7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.855 -6.775 -6.469 1.00 0.00 H new ATOM 1000 N HIS A 64 10.477 -5.046 -6.374 1.00 0.00 N ATOM 1001 CA HIS A 64 9.358 -5.032 -5.453 1.00 0.00 C ATOM 1002 C HIS A 64 8.486 -6.257 -5.640 1.00 0.00 C ATOM 1003 O HIS A 64 8.158 -6.633 -6.766 1.00 0.00 O ATOM 1004 CB HIS A 64 8.574 -3.739 -5.716 1.00 0.00 C ATOM 1005 CG HIS A 64 7.172 -3.674 -5.163 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.591 -2.488 -4.760 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.219 -4.627 -4.987 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.350 -2.714 -4.364 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.102 -4.001 -4.493 1.00 0.00 N ATOM 0 H HIS A 64 10.204 -5.087 -7.356 1.00 0.00 H new ATOM 0 HA HIS A 64 9.707 -5.059 -4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.142 -2.906 -5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.522 -3.585 -6.794 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.322 -5.681 -5.197 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.658 -1.970 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.220 -4.459 -4.263 1.00 0.00 H new ATOM 1018 N PHE A 65 8.119 -6.881 -4.529 1.00 0.00 N ATOM 1019 CA PHE A 65 7.295 -8.074 -4.567 1.00 0.00 C ATOM 1020 C PHE A 65 7.026 -8.583 -3.143 1.00 0.00 C ATOM 1021 O PHE A 65 6.816 -7.791 -2.227 1.00 0.00 O ATOM 1022 CB PHE A 65 8.015 -9.130 -5.405 1.00 0.00 C ATOM 1023 CG PHE A 65 7.098 -10.080 -6.121 1.00 0.00 C ATOM 1024 CD1 PHE A 65 5.958 -9.617 -6.758 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.380 -11.437 -6.163 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.117 -10.487 -7.422 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.541 -12.312 -6.825 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.408 -11.836 -7.457 1.00 0.00 C ATOM 0 H PHE A 65 8.381 -6.578 -3.591 1.00 0.00 H new ATOM 0 HA PHE A 65 6.329 -7.851 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.644 -8.627 -6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.678 -9.702 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.725 -8.563 -6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.265 -11.814 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.232 -10.112 -7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.770 -13.367 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.752 -12.518 -7.977 1.00 0.00 H new ATOM 1038 N SER A 66 7.041 -9.903 -2.968 1.00 0.00 N ATOM 1039 CA SER A 66 6.815 -10.532 -1.669 1.00 0.00 C ATOM 1040 C SER A 66 5.558 -10.003 -0.992 1.00 0.00 C ATOM 1041 O SER A 66 4.898 -9.096 -1.496 1.00 0.00 O ATOM 1042 CB SER A 66 8.026 -10.311 -0.760 1.00 0.00 C ATOM 1043 OG SER A 66 8.925 -11.405 -0.833 1.00 0.00 O ATOM 0 H SER A 66 7.210 -10.567 -3.724 1.00 0.00 H new ATOM 0 HA SER A 66 6.676 -11.599 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.540 -9.394 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.693 -10.178 0.269 1.00 0.00 H new ATOM 0 HG SER A 66 9.691 -11.239 -0.245 1.00 0.00 H new ATOM 1049 N LEU A 67 5.235 -10.575 0.164 1.00 0.00 N ATOM 1050 CA LEU A 67 4.062 -10.157 0.917 1.00 0.00 C ATOM 1051 C LEU A 67 4.325 -10.216 2.417 1.00 0.00 C ATOM 1052 O LEU A 67 4.680 -11.264 2.956 1.00 0.00 O ATOM 1053 CB LEU A 67 2.849 -11.021 0.549 1.00 0.00 C ATOM 1054 CG LEU A 67 2.700 -12.323 1.340 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.986 -12.071 2.659 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.949 -13.358 0.516 1.00 0.00 C ATOM 0 H LEU A 67 5.769 -11.328 0.597 1.00 0.00 H new ATOM 0 HA LEU A 67 3.843 -9.122 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.946 -10.426 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.908 -11.266 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 67 3.695 -12.709 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.890 -13.009 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.561 -11.361 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.995 -11.662 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.850 -14.279 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.958 -12.977 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.500 -13.561 -0.403 1.00 0.00 H new ATOM 1068 N PHE A 68 4.140 -9.084 3.089 1.00 0.00 N ATOM 1069 CA PHE A 68 4.349 -9.012 4.526 1.00 0.00 C ATOM 1070 C PHE A 68 3.167 -9.654 5.250 1.00 0.00 C ATOM 1071 O PHE A 68 3.340 -10.423 6.195 1.00 0.00 O ATOM 1072 CB PHE A 68 4.550 -7.549 4.962 1.00 0.00 C ATOM 1073 CG PHE A 68 3.516 -7.018 5.922 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.255 -6.657 5.475 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.812 -6.871 7.268 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.307 -6.162 6.351 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.869 -6.373 8.148 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.616 -6.019 7.688 1.00 0.00 C ATOM 0 H PHE A 68 3.846 -8.207 2.660 1.00 0.00 H new ATOM 0 HA PHE A 68 5.251 -9.563 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.533 -7.456 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.555 -6.919 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.010 -6.764 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.790 -7.148 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.327 -5.888 5.990 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.112 -6.261 9.194 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.878 -5.630 8.374 1.00 0.00 H new ATOM 1088 N GLU A 69 1.967 -9.336 4.778 1.00 0.00 N ATOM 1089 CA GLU A 69 0.741 -9.878 5.347 1.00 0.00 C ATOM 1090 C GLU A 69 -0.456 -9.498 4.480 1.00 0.00 C ATOM 1091 O GLU A 69 -0.617 -8.340 4.104 1.00 0.00 O ATOM 1092 CB GLU A 69 0.540 -9.369 6.776 1.00 0.00 C ATOM 1093 CG GLU A 69 0.778 -10.431 7.838 1.00 0.00 C ATOM 1094 CD GLU A 69 0.106 -10.098 9.156 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.122 -9.863 9.154 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.806 -10.071 10.190 1.00 0.00 O ATOM 0 H GLU A 69 1.818 -8.699 3.995 1.00 0.00 H new ATOM 0 HA GLU A 69 0.825 -10.964 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.215 -8.532 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.476 -8.986 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.407 -11.390 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.850 -10.545 7.999 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.294 -10.474 4.165 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.472 -10.222 3.343 1.00 0.00 C ATOM 1105 C LYS A 70 -3.745 -10.490 4.141 1.00 0.00 C ATOM 1106 O LYS A 70 -4.064 -11.637 4.451 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.445 -11.101 2.091 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.126 -12.559 2.378 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.846 -13.487 1.413 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.152 -13.998 2.001 1.00 0.00 C ATOM 1111 NZ LYS A 70 -5.326 -13.232 1.498 1.00 0.00 N ATOM 0 H LYS A 70 -1.183 -11.443 4.463 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.462 -9.175 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.413 -11.041 1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.704 -10.706 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.050 -12.719 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.414 -12.801 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.047 -12.959 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.201 -14.331 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.274 -15.052 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.112 -13.929 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.191 -13.793 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.407 -12.337 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.201 -13.030 0.486 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.464 -9.426 4.477 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.693 -9.547 5.246 1.00 0.00 C ATOM 1127 C LEU A 71 -6.916 -9.541 4.333 1.00 0.00 C ATOM 1128 O LEU A 71 -7.051 -8.679 3.464 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.788 -8.404 6.257 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.085 -8.363 7.062 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.915 -9.094 8.385 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.526 -6.926 7.296 1.00 0.00 C ATOM 0 H LEU A 71 -4.215 -8.469 4.228 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.672 -10.499 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.950 -8.481 6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.677 -7.459 5.726 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.861 -8.869 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.849 -9.054 8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.650 -10.134 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.124 -8.618 8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.452 -6.919 7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.752 -6.393 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.691 -6.435 6.337 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.806 -10.505 4.541 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.020 -10.613 3.748 1.00 0.00 C ATOM 1146 C GLU A 72 -10.228 -10.847 4.654 1.00 0.00 C ATOM 1147 O GLU A 72 -10.377 -11.918 5.241 1.00 0.00 O ATOM 1148 CB GLU A 72 -8.880 -11.752 2.729 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.205 -12.308 2.236 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.048 -13.202 1.021 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.295 -14.195 1.108 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -10.677 -12.908 -0.017 1.00 0.00 O ATOM 0 H GLU A 72 -7.706 -11.225 5.256 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.174 -9.679 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.308 -11.392 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.304 -12.560 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.679 -12.873 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.872 -11.482 1.991 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.084 -9.837 4.763 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.274 -9.930 5.599 1.00 0.00 C ATOM 1161 C TYR A 73 -13.463 -9.245 4.933 1.00 0.00 C ATOM 1162 O TYR A 73 -13.352 -8.113 4.462 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.013 -9.301 6.968 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.751 -7.813 6.912 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.661 -7.304 6.215 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.594 -6.915 7.556 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.420 -5.945 6.161 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.358 -5.554 7.507 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.270 -5.075 6.808 1.00 0.00 C ATOM 1170 OH TYR A 73 -11.033 -3.720 6.758 1.00 0.00 O ATOM 0 H TYR A 73 -10.975 -8.944 4.282 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.511 -10.986 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.872 -9.486 7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.157 -9.795 7.428 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.992 -7.983 5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.447 -7.287 8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.569 -5.566 5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.022 -4.869 8.013 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.726 -3.248 7.265 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.599 -9.933 4.898 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.802 -9.379 4.292 1.00 0.00 C ATOM 1182 C GLU A 74 -16.780 -8.890 5.354 1.00 0.00 C ATOM 1183 O GLU A 74 -16.978 -9.537 6.383 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.482 -10.415 3.396 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.395 -11.836 3.928 1.00 0.00 C ATOM 1186 CD GLU A 74 -15.424 -12.696 3.144 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -14.316 -12.209 2.833 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -15.769 -13.858 2.843 1.00 0.00 O ATOM 0 H GLU A 74 -14.711 -10.872 5.281 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.501 -8.527 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.531 -10.145 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.028 -10.379 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.088 -11.810 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.384 -12.292 3.897 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.384 -7.742 5.088 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.342 -7.136 5.992 1.00 0.00 C ATOM 1197 C PHE A 75 -19.758 -7.285 5.438 1.00 0.00 C ATOM 1198 O PHE A 75 -19.936 -7.572 4.256 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.998 -5.663 6.185 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.185 -5.382 7.420 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.475 -6.010 8.623 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.129 -4.488 7.375 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.726 -5.748 9.754 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.377 -4.222 8.503 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.676 -4.853 9.695 1.00 0.00 C ATOM 0 H PHE A 75 -17.221 -7.205 4.236 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.297 -7.642 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.448 -5.311 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.922 -5.088 6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.295 -6.711 8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.890 -3.992 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.962 -6.243 10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.556 -3.522 8.453 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.090 -4.647 10.579 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.785 -7.093 6.286 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.187 -7.208 5.876 1.00 0.00 C ATOM 1217 C PRO A 76 -22.497 -6.366 4.644 1.00 0.00 C ATOM 1218 O PRO A 76 -22.995 -5.246 4.751 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.977 -6.697 7.092 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.969 -6.064 7.991 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.661 -6.740 7.699 1.00 0.00 C ATOM 0 HA PRO A 76 -22.441 -8.231 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.739 -5.978 6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.492 -7.515 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.902 -4.992 7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.247 -6.191 9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.815 -6.077 7.877 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.513 -7.621 8.324 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.188 -6.929 3.478 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.412 -6.274 2.183 1.00 0.00 C ATOM 1231 C ASP A 77 -21.203 -5.440 1.760 1.00 0.00 C ATOM 1232 O ASP A 77 -21.279 -4.666 0.807 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.669 -5.394 2.208 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.851 -6.088 2.857 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.050 -7.293 2.594 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.578 -5.427 3.628 1.00 0.00 O ATOM 0 H ASP A 77 -21.773 -7.857 3.400 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.559 -7.068 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.452 -4.472 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.932 -5.113 1.188 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.086 -5.604 2.464 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.866 -4.868 2.145 1.00 0.00 C ATOM 1243 C ARG A 78 -17.647 -5.782 2.226 1.00 0.00 C ATOM 1244 O ARG A 78 -17.066 -5.958 3.294 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.700 -3.681 3.099 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.332 -2.382 2.400 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.816 -1.170 3.183 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.731 -0.509 3.908 1.00 0.00 N ATOM 1249 CZ ARG A 78 -17.312 -0.876 5.119 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -17.864 -1.916 5.734 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.335 -0.204 5.716 1.00 0.00 N ATOM 0 H ARG A 78 -20.000 -6.239 3.258 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.948 -4.493 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.629 -3.536 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.929 -3.920 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.250 -2.328 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.768 -2.369 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.279 -0.459 2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.586 -1.480 3.889 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.267 0.281 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.613 -2.439 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.539 -2.192 6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.905 0.594 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.015 -0.485 6.643 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.255 -6.359 1.093 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.102 -7.251 1.058 1.00 0.00 C ATOM 1267 C HIS A 79 -14.823 -6.473 0.781 1.00 0.00 C ATOM 1268 O HIS A 79 -14.517 -6.151 -0.366 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.293 -8.335 -0.004 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.291 -9.445 0.090 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.333 -10.567 -0.712 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.214 -9.600 0.895 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.325 -11.364 -0.402 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -13.631 -10.801 0.569 1.00 0.00 N ATOM 0 H HIS A 79 -17.716 -6.225 0.193 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.015 -7.726 2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.296 -8.752 0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.228 -7.880 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.876 -8.909 1.653 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.106 -12.315 -0.865 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.797 -11.193 1.006 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.076 -6.175 1.838 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.831 -5.436 1.704 1.00 0.00 C ATOM 1285 C ILE A 80 -11.633 -6.365 1.850 1.00 0.00 C ATOM 1286 O ILE A 80 -11.361 -6.882 2.933 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.740 -4.286 2.740 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.297 -3.800 2.920 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.312 -4.724 4.079 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.900 -2.702 1.960 1.00 0.00 C ATOM 0 H ILE A 80 -14.313 -6.435 2.796 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.818 -4.997 0.706 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.331 -3.455 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.169 -3.441 3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.620 -4.645 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.239 -3.903 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.358 -5.004 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.750 -5.580 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.867 -2.410 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.995 -3.062 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.552 -1.840 2.103 1.00 0.00 H new ATOM 1302 N THR A 81 -10.912 -6.556 0.754 1.00 0.00 N ATOM 1303 CA THR A 81 -9.729 -7.403 0.757 1.00 0.00 C ATOM 1304 C THR A 81 -8.476 -6.535 0.752 1.00 0.00 C ATOM 1305 O THR A 81 -8.260 -5.752 -0.172 1.00 0.00 O ATOM 1306 CB THR A 81 -9.741 -8.329 -0.461 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.024 -8.344 -1.066 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.374 -9.759 -0.129 1.00 0.00 C ATOM 0 H THR A 81 -11.127 -6.135 -0.150 1.00 0.00 H new ATOM 0 HA THR A 81 -9.730 -8.017 1.658 1.00 0.00 H new ATOM 0 HB THR A 81 -8.988 -7.926 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.242 -9.257 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.402 -10.362 -1.037 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.370 -9.788 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.085 -10.159 0.594 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.661 -6.659 1.793 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.447 -5.861 1.897 1.00 0.00 C ATOM 1318 C LEU A 82 -5.194 -6.733 1.875 1.00 0.00 C ATOM 1319 O LEU A 82 -4.947 -7.508 2.798 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.483 -5.030 3.184 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.259 -3.528 2.998 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.355 -2.925 2.140 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.195 -2.829 4.348 1.00 0.00 C ATOM 0 H LEU A 82 -7.817 -7.300 2.571 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.405 -5.199 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.449 -5.180 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.723 -5.412 3.865 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.307 -3.384 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.177 -1.856 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.356 -3.405 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.321 -3.080 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.035 -1.761 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.132 -2.984 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.372 -3.240 4.932 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.400 -6.587 0.817 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.162 -7.345 0.672 1.00 0.00 C ATOM 1337 C TRP A 83 -1.960 -6.429 0.821 1.00 0.00 C ATOM 1338 O TRP A 83 -1.812 -5.456 0.082 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.104 -8.040 -0.689 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.153 -9.086 -0.862 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.429 -9.035 -0.398 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.020 -10.340 -1.541 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.105 -10.175 -0.745 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.262 -10.994 -1.449 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -2.974 -10.972 -2.219 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.486 -12.251 -2.008 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.197 -12.218 -2.775 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.445 -12.845 -2.666 1.00 0.00 C ATOM 0 H TRP A 83 -4.594 -5.948 0.046 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.140 -8.102 1.456 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.212 -7.293 -1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.122 -8.496 -0.815 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.850 -8.214 0.164 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.078 -10.381 -0.516 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.009 -10.496 -2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.446 -12.738 -1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.396 -12.716 -3.302 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.588 -13.818 -3.111 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.099 -6.747 1.772 1.00 0.00 N ATOM 1360 CA PHE A 84 0.099 -5.949 2.004 1.00 0.00 C ATOM 1361 C PHE A 84 1.337 -6.711 1.536 1.00 0.00 C ATOM 1362 O PHE A 84 1.687 -7.751 2.095 1.00 0.00 O ATOM 1363 CB PHE A 84 0.224 -5.558 3.484 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.841 -4.601 3.952 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.176 -4.849 3.681 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.509 -3.450 4.659 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.157 -3.977 4.103 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.490 -2.572 5.080 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.817 -2.838 4.802 1.00 0.00 C ATOM 0 H PHE A 84 -1.203 -7.548 2.395 1.00 0.00 H new ATOM 0 HA PHE A 84 0.017 -5.029 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.181 -6.461 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.203 -5.107 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.452 -5.737 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.527 -3.240 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.194 -4.186 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.220 -1.680 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.586 -2.155 5.131 1.00 0.00 H new ATOM 1379 N TRP A 85 1.980 -6.199 0.488 1.00 0.00 N ATOM 1380 CA TRP A 85 3.162 -6.841 -0.082 1.00 0.00 C ATOM 1381 C TRP A 85 4.454 -6.260 0.489 1.00 0.00 C ATOM 1382 O TRP A 85 4.514 -5.083 0.841 1.00 0.00 O ATOM 1383 CB TRP A 85 3.147 -6.711 -1.606 1.00 0.00 C ATOM 1384 CG TRP A 85 2.093 -7.558 -2.252 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.746 -7.484 -2.047 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.298 -8.612 -3.201 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.099 -8.428 -2.808 1.00 0.00 N ATOM 1388 CE2 TRP A 85 1.030 -9.132 -3.526 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.428 -9.167 -3.808 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.863 -10.179 -4.429 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.260 -10.206 -4.704 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.987 -10.702 -5.008 1.00 0.00 C ATOM 0 H TRP A 85 1.701 -5.339 0.016 1.00 0.00 H new ATOM 0 HA TRP A 85 3.131 -7.896 0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.983 -5.668 -1.875 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.124 -6.992 -1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.259 -6.785 -1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.909 -8.580 -2.834 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.415 -8.791 -3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.118 -10.564 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.127 -10.643 -5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.890 -11.514 -5.714 1.00 0.00 H new ATOM 1403 N LEU A 86 5.486 -7.101 0.583 1.00 0.00 N ATOM 1404 CA LEU A 86 6.774 -6.673 1.120 1.00 0.00 C ATOM 1405 C LEU A 86 7.764 -6.350 0.001 1.00 0.00 C ATOM 1406 O LEU A 86 8.348 -7.241 -0.613 1.00 0.00 O ATOM 1407 CB LEU A 86 7.349 -7.760 2.028 1.00 0.00 C ATOM 1408 CG LEU A 86 8.537 -7.327 2.893 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.784 -7.151 2.039 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.215 -6.042 3.640 1.00 0.00 C ATOM 0 H LEU A 86 5.453 -8.079 0.295 1.00 0.00 H new ATOM 0 HA LEU A 86 6.612 -5.764 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.556 -8.121 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.659 -8.602 1.409 1.00 0.00 H new ATOM 0 HG LEU A 86 8.731 -8.110 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.617 -6.843 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.027 -8.095 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.602 -6.388 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.071 -5.751 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.993 -5.251 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.350 -6.202 4.283 1.00 0.00 H new ATOM 1422 N VAL A 87 7.950 -5.060 -0.237 1.00 0.00 N ATOM 1423 CA VAL A 87 8.865 -4.562 -1.263 1.00 0.00 C ATOM 1424 C VAL A 87 10.277 -4.488 -0.741 1.00 0.00 C ATOM 1425 O VAL A 87 10.486 -4.229 0.444 1.00 0.00 O ATOM 1426 CB VAL A 87 8.471 -3.171 -1.727 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.255 -2.767 -2.963 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.975 -3.111 -1.974 1.00 0.00 C ATOM 0 H VAL A 87 7.469 -4.322 0.277 1.00 0.00 H new ATOM 0 HA VAL A 87 8.807 -5.263 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 87 8.717 -2.456 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.953 -1.767 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.321 -2.770 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.054 -3.474 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.701 -2.110 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.704 -3.835 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.444 -3.345 -1.051 1.00 0.00 H new ATOM 1438 N GLU A 88 11.251 -4.738 -1.605 1.00 0.00 N ATOM 1439 CA GLU A 88 12.634 -4.705 -1.151 1.00 0.00 C ATOM 1440 C GLU A 88 13.469 -3.569 -1.763 1.00 0.00 C ATOM 1441 O GLU A 88 14.466 -3.161 -1.168 1.00 0.00 O ATOM 1442 CB GLU A 88 13.318 -6.048 -1.422 1.00 0.00 C ATOM 1443 CG GLU A 88 12.374 -7.240 -1.365 1.00 0.00 C ATOM 1444 CD GLU A 88 13.089 -8.560 -1.576 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.889 -8.949 -0.700 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.849 -9.205 -2.619 1.00 0.00 O ATOM 0 H GLU A 88 11.118 -4.959 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 88 12.586 -4.511 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.787 -6.014 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.116 -6.193 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.870 -7.254 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.602 -7.124 -2.125 1.00 0.00 H new ATOM 1453 N ARG A 89 13.100 -3.069 -2.941 1.00 0.00 N ATOM 1454 CA ARG A 89 13.884 -2.003 -3.568 1.00 0.00 C ATOM 1455 C ARG A 89 13.095 -1.288 -4.661 1.00 0.00 C ATOM 1456 O ARG A 89 12.100 -1.810 -5.161 1.00 0.00 O ATOM 1457 CB ARG A 89 15.184 -2.604 -4.133 1.00 0.00 C ATOM 1458 CG ARG A 89 15.870 -1.772 -5.211 1.00 0.00 C ATOM 1459 CD ARG A 89 16.645 -0.607 -4.615 1.00 0.00 C ATOM 1460 NE ARG A 89 18.084 -0.741 -4.831 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.007 -0.111 -4.106 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.646 0.699 -3.119 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.293 -0.293 -4.369 1.00 0.00 N ATOM 0 H ARG A 89 12.284 -3.374 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 89 14.124 -1.254 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.884 -2.752 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.961 -3.589 -4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.548 -2.405 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.123 -1.393 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.297 0.326 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.443 -0.546 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 89 18.401 -1.354 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.657 0.842 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.357 1.179 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.576 -0.915 -5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.000 0.189 -3.814 1.00 0.00 H new ATOM 1477 N TRP A 90 13.563 -0.098 -5.046 1.00 0.00 N ATOM 1478 CA TRP A 90 12.917 0.673 -6.102 1.00 0.00 C ATOM 1479 C TRP A 90 13.902 1.631 -6.772 1.00 0.00 C ATOM 1480 O TRP A 90 14.765 2.208 -6.111 1.00 0.00 O ATOM 1481 CB TRP A 90 11.685 1.409 -5.559 1.00 0.00 C ATOM 1482 CG TRP A 90 11.959 2.756 -4.962 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.368 3.878 -5.622 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.816 3.128 -3.588 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.489 4.925 -4.742 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.154 4.490 -3.487 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.434 2.441 -2.431 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.118 5.179 -2.280 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.399 3.127 -1.233 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.738 4.484 -1.165 1.00 0.00 C ATOM 0 H TRP A 90 14.386 0.349 -4.641 1.00 0.00 H new ATOM 0 HA TRP A 90 12.575 -0.021 -6.870 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.966 1.528 -6.370 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.212 0.783 -4.802 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.567 3.934 -6.682 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.781 5.872 -4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.171 1.394 -2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.381 6.225 -2.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.105 2.608 -0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.699 4.992 -0.213 1.00 0.00 H new ATOM 1501 N GLU A 91 13.779 1.784 -8.095 1.00 0.00 N ATOM 1502 CA GLU A 91 14.675 2.658 -8.847 1.00 0.00 C ATOM 1503 C GLU A 91 14.293 4.123 -8.678 1.00 0.00 C ATOM 1504 O GLU A 91 13.117 4.478 -8.738 1.00 0.00 O ATOM 1505 CB GLU A 91 14.658 2.282 -10.330 1.00 0.00 C ATOM 1506 CG GLU A 91 15.761 1.314 -10.725 1.00 0.00 C ATOM 1507 CD GLU A 91 15.703 0.930 -12.191 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.283 1.661 -13.020 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.076 -0.102 -12.508 1.00 0.00 O ATOM 0 H GLU A 91 13.071 1.316 -8.661 1.00 0.00 H new ATOM 0 HA GLU A 91 15.682 2.523 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.692 1.838 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.751 3.189 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.730 1.765 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.686 0.414 -10.114 1.00 0.00 H new ATOM 1516 N GLY A 92 15.298 4.971 -8.470 1.00 0.00 N ATOM 1517 CA GLY A 92 15.053 6.394 -8.300 1.00 0.00 C ATOM 1518 C GLY A 92 13.894 6.680 -7.369 1.00 0.00 C ATOM 1519 O GLY A 92 13.993 6.481 -6.158 1.00 0.00 O ATOM 0 H GLY A 92 16.279 4.697 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.953 6.869 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.852 6.843 -9.273 1.00 0.00 H new ATOM 1523 N GLU A 93 12.792 7.142 -7.940 1.00 0.00 N ATOM 1524 CA GLU A 93 11.600 7.454 -7.164 1.00 0.00 C ATOM 1525 C GLU A 93 10.359 6.826 -7.798 1.00 0.00 C ATOM 1526 O GLU A 93 10.176 6.895 -9.014 1.00 0.00 O ATOM 1527 CB GLU A 93 11.416 8.966 -7.054 1.00 0.00 C ATOM 1528 CG GLU A 93 10.247 9.366 -6.170 1.00 0.00 C ATOM 1529 CD GLU A 93 10.359 10.790 -5.663 1.00 0.00 C ATOM 1530 OE1 GLU A 93 10.572 11.700 -6.491 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.233 10.995 -4.438 1.00 0.00 O ATOM 0 H GLU A 93 12.698 7.310 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 93 11.730 7.038 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.330 9.408 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.267 9.380 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.319 9.256 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.189 8.685 -5.321 1.00 0.00 H new ATOM 1538 N PRO A 94 9.479 6.210 -6.986 1.00 0.00 N ATOM 1539 CA PRO A 94 8.253 5.583 -7.477 1.00 0.00 C ATOM 1540 C PRO A 94 7.198 6.626 -7.812 1.00 0.00 C ATOM 1541 O PRO A 94 6.904 7.501 -6.997 1.00 0.00 O ATOM 1542 CB PRO A 94 7.787 4.706 -6.299 1.00 0.00 C ATOM 1543 CG PRO A 94 8.872 4.791 -5.272 1.00 0.00 C ATOM 1544 CD PRO A 94 9.590 6.080 -5.531 1.00 0.00 C ATOM 0 HA PRO A 94 8.417 5.015 -8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.839 5.063 -5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.630 3.675 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.457 4.772 -4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.552 3.943 -5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.124 6.917 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.629 6.040 -5.204 1.00 0.00 H new ATOM 1552 N TRP A 95 6.635 6.546 -9.011 1.00 0.00 N ATOM 1553 CA TRP A 95 5.623 7.508 -9.424 1.00 0.00 C ATOM 1554 C TRP A 95 4.262 6.861 -9.613 1.00 0.00 C ATOM 1555 O TRP A 95 3.309 7.171 -8.898 1.00 0.00 O ATOM 1556 CB TRP A 95 6.031 8.208 -10.724 1.00 0.00 C ATOM 1557 CG TRP A 95 6.636 7.304 -11.766 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.936 6.912 -11.842 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.971 6.695 -12.885 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.136 6.121 -12.950 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.944 5.973 -13.606 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.653 6.692 -13.350 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.641 5.266 -14.768 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.352 5.984 -14.499 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.343 5.285 -15.200 1.00 0.00 C ATOM 0 H TRP A 95 6.859 5.834 -9.706 1.00 0.00 H new ATOM 0 HA TRP A 95 5.547 8.241 -8.621 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.153 8.693 -11.150 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.746 8.995 -10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.704 7.183 -11.132 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.026 5.712 -13.235 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.883 7.233 -12.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.403 4.723 -15.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.335 5.970 -14.862 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.077 4.750 -16.100 1.00 0.00 H new ATOM 1576 N GLY A 96 4.181 5.973 -10.591 1.00 0.00 N ATOM 1577 CA GLY A 96 2.931 5.293 -10.890 1.00 0.00 C ATOM 1578 C GLY A 96 1.717 6.204 -10.805 1.00 0.00 C ATOM 1579 O GLY A 96 1.470 7.007 -11.706 1.00 0.00 O ATOM 0 H GLY A 96 4.963 5.707 -11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.988 4.867 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.802 4.462 -10.197 1.00 0.00 H new ATOM 1583 N LYS A 97 0.956 6.078 -9.716 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.240 6.893 -9.509 1.00 0.00 C ATOM 1585 C LYS A 97 -1.005 6.449 -8.259 1.00 0.00 C ATOM 1586 O LYS A 97 -2.236 6.407 -8.257 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.160 6.819 -10.733 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.616 8.179 -11.235 1.00 0.00 C ATOM 1589 CD LYS A 97 -0.582 8.810 -12.153 1.00 0.00 C ATOM 1590 CE LYS A 97 -1.049 10.159 -12.675 1.00 0.00 C ATOM 1591 NZ LYS A 97 -0.882 11.235 -11.659 1.00 0.00 N ATOM 0 H LYS A 97 1.148 5.417 -8.963 1.00 0.00 H new ATOM 0 HA LYS A 97 0.084 7.924 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.639 6.300 -11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.036 6.221 -10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.561 8.073 -11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.801 8.838 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.358 8.933 -11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.384 8.143 -12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.486 10.416 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.098 10.093 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.212 12.139 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.440 11.003 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.122 11.316 -11.401 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.272 6.122 -7.197 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.888 5.688 -5.943 1.00 0.00 C ATOM 1607 C GLU A 98 -1.765 6.791 -5.358 1.00 0.00 C ATOM 1608 O GLU A 98 -2.903 6.542 -4.959 1.00 0.00 O ATOM 1609 CB GLU A 98 0.191 5.288 -4.934 1.00 0.00 C ATOM 1610 CG GLU A 98 1.150 6.416 -4.588 1.00 0.00 C ATOM 1611 CD GLU A 98 2.252 5.977 -3.643 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.164 4.851 -3.110 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.202 6.761 -3.436 1.00 0.00 O ATOM 0 H GLU A 98 0.747 6.149 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.517 4.823 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.290 4.938 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.760 4.450 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.595 6.803 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.592 7.235 -4.134 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.234 8.010 -5.313 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.994 9.123 -4.776 1.00 0.00 C ATOM 1622 C GLY A 99 -1.123 10.300 -4.373 1.00 0.00 C ATOM 1623 O GLY A 99 -0.419 10.875 -5.203 1.00 0.00 O ATOM 0 H GLY A 99 -0.296 8.245 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.719 9.453 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.560 8.784 -3.908 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.185 10.663 -3.095 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.410 11.786 -2.572 1.00 0.00 C ATOM 1629 C GLN A 100 1.057 11.425 -2.393 1.00 0.00 C ATOM 1630 O GLN A 100 1.398 10.473 -1.690 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.998 12.255 -1.239 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.134 11.143 -0.210 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.490 11.139 0.470 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.473 11.633 -0.080 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -2.546 10.578 1.672 1.00 0.00 N ATOM 0 H GLN A 100 -1.766 10.194 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.467 12.594 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.366 13.043 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.979 12.695 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.973 10.181 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.354 11.253 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.704 10.181 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.431 10.544 2.178 1.00 0.00 H new ATOM 1644 N PRO A 101 1.949 12.204 -3.027 1.00 0.00 N ATOM 1645 CA PRO A 101 3.398 11.997 -2.946 1.00 0.00 C ATOM 1646 C PRO A 101 3.872 11.699 -1.526 1.00 0.00 C ATOM 1647 O PRO A 101 3.313 12.208 -0.554 1.00 0.00 O ATOM 1648 CB PRO A 101 3.937 13.343 -3.415 1.00 0.00 C ATOM 1649 CG PRO A 101 2.946 13.797 -4.420 1.00 0.00 C ATOM 1650 CD PRO A 101 1.613 13.366 -3.882 1.00 0.00 C ATOM 0 HA PRO A 101 3.733 11.141 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.020 14.049 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.931 13.245 -3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.986 14.878 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.140 13.349 -5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.134 14.161 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.926 13.091 -4.682 1.00 0.00 H new ATOM 1658 N GLY A 102 4.903 10.866 -1.412 1.00 0.00 N ATOM 1659 CA GLY A 102 5.430 10.509 -0.108 1.00 0.00 C ATOM 1660 C GLY A 102 6.942 10.626 -0.027 1.00 0.00 C ATOM 1661 O GLY A 102 7.604 10.944 -1.014 1.00 0.00 O ATOM 0 H GLY A 102 5.383 10.432 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.980 11.152 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.137 9.486 0.129 1.00 0.00 H new ATOM 1665 N GLU A 103 7.487 10.365 1.159 1.00 0.00 N ATOM 1666 CA GLU A 103 8.928 10.433 1.379 1.00 0.00 C ATOM 1667 C GLU A 103 9.433 9.132 1.993 1.00 0.00 C ATOM 1668 O GLU A 103 8.663 8.390 2.605 1.00 0.00 O ATOM 1669 CB GLU A 103 9.274 11.612 2.292 1.00 0.00 C ATOM 1670 CG GLU A 103 9.573 12.898 1.538 1.00 0.00 C ATOM 1671 CD GLU A 103 10.765 13.643 2.107 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.684 14.095 3.268 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.779 13.774 1.391 1.00 0.00 O ATOM 0 H GLU A 103 6.949 10.103 1.985 1.00 0.00 H new ATOM 0 HA GLU A 103 9.416 10.580 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.444 11.787 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.139 11.348 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.761 12.665 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.696 13.545 1.568 1.00 0.00 H new ATOM 1680 N TRP A 104 10.723 8.849 1.828 1.00 0.00 N ATOM 1681 CA TRP A 104 11.298 7.621 2.375 1.00 0.00 C ATOM 1682 C TRP A 104 11.321 7.682 3.901 1.00 0.00 C ATOM 1683 O TRP A 104 12.137 8.389 4.493 1.00 0.00 O ATOM 1684 CB TRP A 104 12.723 7.392 1.837 1.00 0.00 C ATOM 1685 CG TRP A 104 12.990 8.064 0.523 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.183 8.065 -0.577 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.145 8.838 0.175 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.764 8.789 -1.590 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.970 9.274 -1.153 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.309 9.204 0.856 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.915 10.057 -1.811 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.247 9.981 0.201 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.044 10.400 -1.120 1.00 0.00 C ATOM 0 H TRP A 104 11.383 9.444 1.327 1.00 0.00 H new ATOM 0 HA TRP A 104 10.673 6.785 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.441 7.755 2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.892 6.321 1.727 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.226 7.569 -0.642 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.364 8.941 -2.516 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.473 8.886 1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.762 10.381 -2.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.151 10.269 0.717 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.795 11.007 -1.603 1.00 0.00 H new ATOM 1704 N MET A 105 10.421 6.929 4.529 1.00 0.00 N ATOM 1705 CA MET A 105 10.333 6.886 5.986 1.00 0.00 C ATOM 1706 C MET A 105 10.545 5.468 6.505 1.00 0.00 C ATOM 1707 O MET A 105 10.441 4.502 5.751 1.00 0.00 O ATOM 1708 CB MET A 105 8.979 7.421 6.458 1.00 0.00 C ATOM 1709 CG MET A 105 7.802 6.923 5.635 1.00 0.00 C ATOM 1710 SD MET A 105 6.238 7.653 6.156 1.00 0.00 S ATOM 1711 CE MET A 105 6.351 7.468 7.933 1.00 0.00 C ATOM 0 H MET A 105 9.741 6.339 4.050 1.00 0.00 H new ATOM 0 HA MET A 105 11.123 7.521 6.388 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.829 7.136 7.499 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.998 8.510 6.426 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.974 7.153 4.584 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.738 5.838 5.717 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.359 7.569 8.373 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.756 6.484 8.171 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.007 8.238 8.338 1.00 0.00 H new ATOM 1721 N SER A 106 10.829 5.346 7.797 1.00 0.00 N ATOM 1722 CA SER A 106 11.039 4.038 8.409 1.00 0.00 C ATOM 1723 C SER A 106 9.703 3.347 8.668 1.00 0.00 C ATOM 1724 O SER A 106 8.897 3.814 9.472 1.00 0.00 O ATOM 1725 CB SER A 106 11.819 4.183 9.718 1.00 0.00 C ATOM 1726 OG SER A 106 11.681 5.489 10.251 1.00 0.00 O ATOM 0 H SER A 106 10.919 6.133 8.439 1.00 0.00 H new ATOM 0 HA SER A 106 11.619 3.425 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.460 3.451 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.873 3.968 9.543 1.00 0.00 H new ATOM 0 HG SER A 106 12.187 5.556 11.088 1.00 0.00 H new ATOM 1732 N LEU A 107 9.473 2.232 7.980 1.00 0.00 N ATOM 1733 CA LEU A 107 8.230 1.479 8.134 1.00 0.00 C ATOM 1734 C LEU A 107 8.067 0.967 9.563 1.00 0.00 C ATOM 1735 O LEU A 107 6.961 0.627 9.987 1.00 0.00 O ATOM 1736 CB LEU A 107 8.189 0.307 7.151 1.00 0.00 C ATOM 1737 CG LEU A 107 6.787 -0.158 6.746 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.111 -0.885 7.898 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.940 1.023 6.291 1.00 0.00 C ATOM 0 H LEU A 107 10.130 1.830 7.311 1.00 0.00 H new ATOM 0 HA LEU A 107 7.403 2.155 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.734 0.590 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.720 -0.536 7.594 1.00 0.00 H new ATOM 0 HG LEU A 107 6.886 -0.852 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.116 -1.208 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.705 -1.755 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.027 -0.214 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.948 0.671 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.851 1.742 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.414 1.502 5.434 1.00 0.00 H new ATOM 1751 N VAL A 108 9.168 0.919 10.309 1.00 0.00 N ATOM 1752 CA VAL A 108 9.134 0.453 11.691 1.00 0.00 C ATOM 1753 C VAL A 108 8.247 1.345 12.564 1.00 0.00 C ATOM 1754 O VAL A 108 7.959 1.009 13.713 1.00 0.00 O ATOM 1755 CB VAL A 108 10.551 0.399 12.299 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.178 1.786 12.326 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.511 -0.206 13.695 1.00 0.00 C ATOM 0 H VAL A 108 10.093 1.197 9.980 1.00 0.00 H new ATOM 0 HA VAL A 108 8.714 -0.552 11.671 1.00 0.00 H new ATOM 0 HB VAL A 108 11.171 -0.239 11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.177 1.725 12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.245 2.175 11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.561 2.452 12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.519 -0.236 14.108 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.874 0.402 14.337 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.111 -1.218 13.641 1.00 0.00 H new ATOM 1767 N GLY A 109 7.813 2.478 12.014 1.00 0.00 N ATOM 1768 CA GLY A 109 6.965 3.387 12.758 1.00 0.00 C ATOM 1769 C GLY A 109 5.737 3.791 11.968 1.00 0.00 C ATOM 1770 O GLY A 109 5.415 4.974 11.864 1.00 0.00 O ATOM 0 H GLY A 109 8.036 2.780 11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.657 2.914 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.534 4.278 13.025 1.00 0.00 H new ATOM 1774 N LEU A 110 5.051 2.799 11.412 1.00 0.00 N ATOM 1775 CA LEU A 110 3.848 3.040 10.625 1.00 0.00 C ATOM 1776 C LEU A 110 2.771 3.685 11.491 1.00 0.00 C ATOM 1777 O LEU A 110 2.736 3.475 12.704 1.00 0.00 O ATOM 1778 CB LEU A 110 3.346 1.719 10.039 1.00 0.00 C ATOM 1779 CG LEU A 110 2.566 1.825 8.725 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.260 2.770 7.754 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.407 0.447 8.102 1.00 0.00 C ATOM 0 H LEU A 110 5.309 1.816 11.493 1.00 0.00 H new ATOM 0 HA LEU A 110 4.083 3.723 9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.204 1.066 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.710 1.234 10.779 1.00 0.00 H new ATOM 0 HG LEU A 110 1.579 2.232 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.686 2.827 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.330 3.762 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.261 2.398 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.851 0.532 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.391 0.023 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.865 -0.203 8.789 1.00 0.00 H new ATOM 1793 N ASN A 111 1.911 4.495 10.877 1.00 0.00 N ATOM 1794 CA ASN A 111 0.866 5.187 11.626 1.00 0.00 C ATOM 1795 C ASN A 111 -0.539 4.805 11.184 1.00 0.00 C ATOM 1796 O ASN A 111 -0.919 4.999 10.029 1.00 0.00 O ATOM 1797 CB ASN A 111 1.056 6.701 11.511 1.00 0.00 C ATOM 1798 CG ASN A 111 1.326 7.354 12.853 1.00 0.00 C ATOM 1799 OD1 ASN A 111 0.502 8.113 13.364 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.486 7.063 13.431 1.00 0.00 N ATOM 0 H ASN A 111 1.916 4.687 9.875 1.00 0.00 H new ATOM 0 HA ASN A 111 0.965 4.874 12.665 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.885 6.910 10.835 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.164 7.144 11.068 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.723 7.474 14.334 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.140 6.429 12.972 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.316 4.288 12.135 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.696 3.909 11.873 1.00 0.00 C ATOM 1809 C ALA A 112 -3.567 5.156 11.715 1.00 0.00 C ATOM 1810 O ALA A 112 -4.644 5.108 11.119 1.00 0.00 O ATOM 1811 CB ALA A 112 -3.234 3.024 12.990 1.00 0.00 C ATOM 0 H ALA A 112 -1.009 4.123 13.094 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.726 3.341 10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.267 2.753 12.773 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.629 2.120 13.062 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.191 3.565 13.935 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.091 6.276 12.260 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.815 7.542 12.186 1.00 0.00 C ATOM 1819 C ASP A 113 -3.641 8.202 10.820 1.00 0.00 C ATOM 1820 O ASP A 113 -4.601 8.707 10.239 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.334 8.490 13.285 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.461 9.321 13.865 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.889 10.289 13.201 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.918 9.005 14.984 1.00 0.00 O ATOM 0 H ASP A 113 -2.203 6.330 12.759 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.874 7.330 12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.866 7.911 14.081 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.569 9.152 12.880 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.410 8.200 10.313 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.114 8.806 9.017 1.00 0.00 C ATOM 1831 C ASP A 114 -2.793 8.035 7.892 1.00 0.00 C ATOM 1832 O ASP A 114 -3.281 8.622 6.928 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.606 8.862 8.784 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.085 10.283 8.692 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -0.703 11.096 7.974 1.00 0.00 O ATOM 1836 OD2 ASP A 114 0.941 10.581 9.338 1.00 0.00 O ATOM 0 H ASP A 114 -1.603 7.786 10.779 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.505 9.824 9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.097 8.344 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.364 8.329 7.864 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.831 6.715 8.030 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.465 5.859 7.037 1.00 0.00 C ATOM 1843 C PHE A 115 -4.953 5.705 7.371 1.00 0.00 C ATOM 1844 O PHE A 115 -5.399 6.164 8.423 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.746 4.499 6.993 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.504 3.376 7.623 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.845 3.441 8.953 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.864 2.258 6.890 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.533 2.415 9.557 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.552 1.223 7.486 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.886 1.305 8.822 1.00 0.00 C ATOM 0 H PHE A 115 -2.429 6.214 8.822 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.387 6.309 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.541 4.244 5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.782 4.596 7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.569 4.310 9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.604 2.196 5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.795 2.479 10.603 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.828 0.352 6.910 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.426 0.497 9.293 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.749 5.068 6.494 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.184 4.885 6.737 1.00 0.00 C ATOM 1863 C PRO A 116 -7.457 4.212 8.084 1.00 0.00 C ATOM 1864 O PRO A 116 -6.891 3.162 8.386 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.644 3.986 5.580 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.393 3.454 4.962 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.336 4.492 5.207 1.00 0.00 C ATOM 0 HA PRO A 116 -7.713 5.837 6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.278 3.176 5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.230 4.550 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.113 2.499 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.529 3.280 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.340 4.052 5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.312 5.241 4.416 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.327 4.816 8.920 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.662 4.273 10.244 1.00 0.00 C ATOM 1877 C PRO A 117 -9.473 2.984 10.168 1.00 0.00 C ATOM 1878 O PRO A 117 -9.262 2.061 10.954 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.493 5.386 10.886 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.073 6.137 9.739 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.043 6.077 8.646 1.00 0.00 C ATOM 0 HA PRO A 117 -7.766 4.007 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.274 4.977 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.875 6.032 11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.013 5.691 9.415 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.289 7.169 10.016 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.505 6.071 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.372 6.935 8.679 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.400 2.924 9.218 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.240 1.742 9.044 1.00 0.00 C ATOM 1891 C ALA A 118 -10.433 0.552 8.540 1.00 0.00 C ATOM 1892 O ALA A 118 -10.926 -0.575 8.499 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.393 2.046 8.100 1.00 0.00 C ATOM 0 H ALA A 118 -10.589 3.678 8.557 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.646 1.475 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.010 1.155 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.998 2.854 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.999 2.347 7.129 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.195 0.815 8.155 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.307 -0.215 7.647 1.00 0.00 C ATOM 1901 C ASN A 119 -7.258 -0.592 8.696 1.00 0.00 C ATOM 1902 O ASN A 119 -6.200 -1.128 8.368 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.638 0.321 6.386 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.423 -0.010 5.130 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.371 -0.796 5.165 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.042 0.599 4.013 1.00 0.00 N ATOM 0 H ASN A 119 -8.779 1.746 8.186 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.874 -1.117 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.528 1.402 6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.634 -0.097 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.540 0.423 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.251 1.243 4.028 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.561 -0.282 9.961 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.657 -0.546 11.085 1.00 0.00 C ATOM 1915 C GLU A 120 -6.343 -2.031 11.303 1.00 0.00 C ATOM 1916 O GLU A 120 -5.257 -2.358 11.772 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.235 0.053 12.370 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.353 1.125 12.990 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.424 1.136 14.504 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.253 0.059 15.114 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.651 2.221 15.080 1.00 0.00 O ATOM 0 H GLU A 120 -8.439 0.159 10.234 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.711 -0.070 10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.214 0.480 12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.388 -0.745 13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.320 0.965 12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.652 2.101 12.609 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.269 -2.961 11.004 1.00 0.00 N ATOM 1929 CA PRO A 121 -7.026 -4.392 11.223 1.00 0.00 C ATOM 1930 C PRO A 121 -5.640 -4.856 10.765 1.00 0.00 C ATOM 1931 O PRO A 121 -4.972 -5.610 11.473 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.123 -5.050 10.392 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.253 -4.082 10.452 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.625 -2.712 10.471 1.00 0.00 C ATOM 0 HA PRO A 121 -7.048 -4.649 12.282 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.798 -5.220 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.406 -6.020 10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.912 -4.197 9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.860 -4.245 11.342 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.590 -2.273 9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.185 -2.023 11.103 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.210 -4.411 9.590 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.901 -4.796 9.067 1.00 0.00 C ATOM 1944 C VAL A 122 -2.776 -4.012 9.738 1.00 0.00 C ATOM 1945 O VAL A 122 -1.802 -4.593 10.217 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.808 -4.585 7.541 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.411 -4.918 7.038 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.844 -5.426 6.817 1.00 0.00 C ATOM 0 H VAL A 122 -5.743 -3.788 8.984 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.786 -5.857 9.289 1.00 0.00 H new ATOM 0 HB VAL A 122 -4.011 -3.535 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.366 -4.763 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.684 -4.271 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.181 -5.959 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.760 -5.261 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.675 -6.480 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.842 -5.141 7.151 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.908 -2.689 9.755 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.892 -1.832 10.351 1.00 0.00 C ATOM 1960 C ILE A 123 -1.775 -2.066 11.851 1.00 0.00 C ATOM 1961 O ILE A 123 -0.705 -1.903 12.424 1.00 0.00 O ATOM 1962 CB ILE A 123 -2.175 -0.340 10.084 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.094 -0.050 8.589 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -1.181 0.534 10.836 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.710 -0.258 8.020 1.00 0.00 C ATOM 0 H ILE A 123 -3.707 -2.189 9.364 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.947 -2.097 9.878 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.180 -0.110 10.438 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.798 -0.694 8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.405 0.979 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.396 1.584 10.636 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.266 0.344 11.906 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.169 0.301 10.505 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.718 -0.036 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.006 0.405 8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.406 -1.294 8.172 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.872 -2.451 12.485 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.863 -2.706 13.918 1.00 0.00 C ATOM 1979 C ALA A 124 -1.831 -3.772 14.262 1.00 0.00 C ATOM 1980 O ALA A 124 -1.230 -3.749 15.336 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.246 -3.130 14.392 1.00 0.00 C ATOM 0 H ALA A 124 -3.775 -2.593 12.033 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.591 -1.784 14.431 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.221 -3.317 15.466 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.963 -2.337 14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.546 -4.040 13.872 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.630 -4.705 13.336 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.664 -5.783 13.535 1.00 0.00 C ATOM 1989 C LYS A 125 0.762 -5.311 13.251 1.00 0.00 C ATOM 1990 O LYS A 125 1.684 -5.594 14.016 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.007 -6.971 12.636 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.614 -8.315 13.227 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.628 -8.788 14.255 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.802 -10.298 14.213 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.245 -10.842 15.526 1.00 0.00 N ATOM 0 H LYS A 125 -2.121 -4.737 12.443 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.718 -6.092 14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.079 -6.970 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.507 -6.846 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.530 -9.054 12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.368 -8.236 13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.306 -8.486 15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.587 -8.305 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.533 -10.558 13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.859 -10.764 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.352 -11.874 15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.536 -10.616 16.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.157 -10.416 15.788 1.00 0.00 H new ATOM 2009 N LEU A 126 0.935 -4.596 12.143 1.00 0.00 N ATOM 2010 CA LEU A 126 2.246 -4.089 11.744 1.00 0.00 C ATOM 2011 C LEU A 126 2.635 -2.847 12.542 1.00 0.00 C ATOM 2012 O LEU A 126 3.808 -2.486 12.616 1.00 0.00 O ATOM 2013 CB LEU A 126 2.249 -3.767 10.246 1.00 0.00 C ATOM 2014 CG LEU A 126 3.588 -3.288 9.675 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.810 -1.815 9.988 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.736 -4.134 10.212 1.00 0.00 C ATOM 0 H LEU A 126 0.180 -4.353 11.502 1.00 0.00 H new ATOM 0 HA LEU A 126 2.981 -4.866 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.940 -4.658 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.498 -3.000 10.056 1.00 0.00 H new ATOM 0 HG LEU A 126 3.558 -3.404 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.766 -1.495 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.007 -1.224 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.816 -1.669 11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.677 -3.777 9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.768 -4.056 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.584 -5.175 9.928 1.00 0.00 H new ATOM 2028 N LYS A 127 1.644 -2.192 13.132 1.00 0.00 N ATOM 2029 CA LYS A 127 1.882 -0.989 13.917 1.00 0.00 C ATOM 2030 C LYS A 127 2.397 -1.344 15.298 1.00 0.00 C ATOM 2031 O LYS A 127 3.331 -0.726 15.807 1.00 0.00 O ATOM 2032 CB LYS A 127 0.599 -0.190 14.042 1.00 0.00 C ATOM 2033 CG LYS A 127 0.762 1.106 14.814 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.379 2.070 14.538 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.599 1.748 15.388 1.00 0.00 C ATOM 2036 NZ LYS A 127 -2.246 0.474 14.972 1.00 0.00 N ATOM 0 H LYS A 127 0.665 -2.475 13.081 1.00 0.00 H new ATOM 0 HA LYS A 127 2.635 -0.389 13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.223 0.036 13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.155 -0.804 14.535 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.807 0.891 15.882 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.708 1.575 14.543 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.052 3.090 14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.647 2.025 13.483 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.304 1.680 16.435 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.319 2.562 15.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.279 0.565 15.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.997 0.264 13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.916 -0.299 15.584 1.00 0.00 H new ATOM 2050 N ARG A 128 1.791 -2.362 15.893 1.00 0.00 N ATOM 2051 CA ARG A 128 2.201 -2.821 17.207 1.00 0.00 C ATOM 2052 C ARG A 128 3.591 -3.442 17.131 1.00 0.00 C ATOM 2053 O ARG A 128 4.194 -3.764 18.155 1.00 0.00 O ATOM 2054 CB ARG A 128 1.196 -3.837 17.753 1.00 0.00 C ATOM 2055 CG ARG A 128 1.391 -4.155 19.226 1.00 0.00 C ATOM 2056 CD ARG A 128 1.032 -5.600 19.536 1.00 0.00 C ATOM 2057 NE ARG A 128 1.155 -5.902 20.960 1.00 0.00 N ATOM 2058 CZ ARG A 128 1.110 -7.133 21.463 1.00 0.00 C ATOM 2059 NH1 ARG A 128 0.943 -8.179 20.663 1.00 0.00 N ATOM 2060 NH2 ARG A 128 1.230 -7.320 22.770 1.00 0.00 N ATOM 0 H ARG A 128 1.015 -2.883 15.485 1.00 0.00 H new ATOM 0 HA ARG A 128 2.232 -1.967 17.884 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.187 -3.453 17.603 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.275 -4.759 17.177 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.428 -3.969 19.505 1.00 0.00 H new ATOM 0 HG3 ARG A 128 0.774 -3.488 19.828 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.011 -5.797 19.211 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.682 -6.265 18.967 1.00 0.00 H new ATOM 0 HE ARG A 128 1.283 -5.124 21.607 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.848 -8.041 19.657 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.909 -9.120 21.055 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.357 -6.520 23.390 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.195 -8.264 23.155 1.00 0.00 H new ATOM 2074 N LEU A 129 4.099 -3.605 15.906 1.00 0.00 N ATOM 2075 CA LEU A 129 5.425 -4.185 15.707 1.00 0.00 C ATOM 2076 C LEU A 129 6.488 -3.370 16.442 1.00 0.00 C ATOM 2077 O LEU A 129 6.665 -3.511 17.652 1.00 0.00 O ATOM 2078 CB LEU A 129 5.744 -4.278 14.208 1.00 0.00 C ATOM 2079 CG LEU A 129 6.912 -3.415 13.718 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.285 -3.781 12.291 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.566 -1.934 13.821 1.00 0.00 C ATOM 0 H LEU A 129 3.616 -3.345 15.046 1.00 0.00 H new ATOM 0 HA LEU A 129 5.430 -5.193 16.123 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.960 -5.319 13.966 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.851 -3.999 13.648 1.00 0.00 H new ATOM 0 HG LEU A 129 7.773 -3.609 14.357 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.116 -3.158 11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.579 -4.830 12.249 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.428 -3.618 11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.408 -1.338 13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 129 5.690 -1.722 13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.353 -1.682 14.860 1.00 0.00 H new