USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 54 ASN : amide:sc= -0.909 K(o=-1.3,f=-5.9!) USER MOD Set 1.2: A 56 THR OG1 : rot 59:sc= -0.38 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc=-0.00545 (180deg=-0.107) USER MOD Single : A 16 HIS : no HD1:sc= -8.7! K(o=-8.7!,f=-7) USER MOD Single : A 17 TYR OH : rot -30:sc= -3.02! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -46:sc= -3.01! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.948 USER MOD Single : A 24 GLN : amide:sc= -0.285 K(o=-0.29,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 49 GLN : amide:sc= -1.91 K(o=-1.9,f=-3.4!) USER MOD Single : A 51 SER OG : rot -55:sc= 0.737 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.77) USER MOD Single : A 63 THR OG1 : rot 118:sc= 0.248 USER MOD Single : A 66 LYS NZ :NH3+ -117:sc= 0.253 (180deg=-0.00293) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.5!) USER MOD Single : A 71 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-6.7!) USER MOD Single : A 72 THR OG1 : rot -170:sc= -1.17 USER MOD Single : A 73 THR OG1 : rot 35:sc= 0.0905 USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.555 15.427 -4.693 1.00 0.00 N ATOM 133 CA ALA A 12 12.775 14.831 -3.622 1.00 0.00 C ATOM 134 C ALA A 12 12.144 13.529 -4.119 1.00 0.00 C ATOM 135 O ALA A 12 11.922 13.361 -5.317 1.00 0.00 O ATOM 136 CB ALA A 12 11.730 15.835 -3.132 1.00 0.00 C ATOM 0 HA ALA A 12 13.414 14.585 -2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.145 15.388 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.231 16.730 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.069 16.104 -3.956 1.00 0.00 H new ATOM 142 N PRO A 13 11.866 12.618 -3.149 1.00 0.00 N ATOM 143 CA PRO A 13 11.265 11.336 -3.476 1.00 0.00 C ATOM 144 C PRO A 13 9.779 11.494 -3.802 1.00 0.00 C ATOM 145 O PRO A 13 9.005 11.967 -2.971 1.00 0.00 O ATOM 146 CB PRO A 13 11.517 10.461 -2.259 1.00 0.00 C ATOM 147 CG PRO A 13 11.835 11.415 -1.119 1.00 0.00 C ATOM 148 CD PRO A 13 12.115 12.783 -1.720 1.00 0.00 C ATOM 0 HA PRO A 13 11.696 10.885 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.643 9.853 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.345 9.774 -2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.999 11.468 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.698 11.062 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.465 13.545 -1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.142 13.096 -1.530 1.00 0.00 H new ATOM 156 N LYS A 14 9.425 11.088 -5.012 1.00 0.00 N ATOM 157 CA LYS A 14 8.045 11.179 -5.458 1.00 0.00 C ATOM 158 C LYS A 14 7.451 9.772 -5.554 1.00 0.00 C ATOM 159 O LYS A 14 8.122 8.840 -5.995 1.00 0.00 O ATOM 160 CB LYS A 14 7.954 11.976 -6.761 1.00 0.00 C ATOM 161 CG LYS A 14 7.509 13.415 -6.494 1.00 0.00 C ATOM 162 CD LYS A 14 6.728 13.978 -7.684 1.00 0.00 C ATOM 163 CE LYS A 14 7.621 14.863 -8.555 1.00 0.00 C ATOM 164 NZ LYS A 14 7.885 16.155 -7.882 1.00 0.00 N ATOM 0 H LYS A 14 10.070 10.695 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 14 7.446 11.730 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.924 11.978 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.249 11.493 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.888 13.447 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.381 14.039 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.328 13.159 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.877 14.556 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.563 14.352 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.141 15.039 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.236 16.844 -8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.005 16.511 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.599 16.019 -7.138 1.00 0.00 H new ATOM 178 N LEU A 15 6.199 9.663 -5.135 1.00 0.00 N ATOM 179 CA LEU A 15 5.507 8.386 -5.168 1.00 0.00 C ATOM 180 C LEU A 15 4.078 8.598 -5.673 1.00 0.00 C ATOM 181 O LEU A 15 3.258 9.207 -4.988 1.00 0.00 O ATOM 182 CB LEU A 15 5.582 7.700 -3.803 1.00 0.00 C ATOM 183 CG LEU A 15 4.471 6.693 -3.496 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.335 5.668 -4.624 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.697 6.025 -2.138 1.00 0.00 C ATOM 0 H LEU A 15 5.646 10.439 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 15 5.995 7.706 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.541 7.187 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.571 8.469 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 15 3.526 7.233 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.539 4.964 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.094 6.181 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.275 5.128 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.894 5.314 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.652 5.500 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.706 6.784 -1.356 1.00 0.00 H new ATOM 197 N HIS A 16 3.824 8.083 -6.867 1.00 0.00 N ATOM 198 CA HIS A 16 2.508 8.208 -7.471 1.00 0.00 C ATOM 199 C HIS A 16 1.567 7.160 -6.873 1.00 0.00 C ATOM 200 O HIS A 16 1.966 6.019 -6.647 1.00 0.00 O ATOM 201 CB HIS A 16 2.600 8.121 -8.996 1.00 0.00 C ATOM 202 CG HIS A 16 1.515 8.880 -9.721 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.808 8.345 -10.783 1.00 0.00 N ATOM 204 CD2 HIS A 16 1.023 10.137 -9.524 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.067 9.248 -11.200 1.00 0.00 C ATOM 206 NE2 HIS A 16 0.068 10.358 -10.419 1.00 0.00 N ATOM 0 H HIS A 16 4.507 7.578 -7.432 1.00 0.00 H new ATOM 0 HA HIS A 16 2.092 9.190 -7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.570 8.503 -9.314 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.557 7.073 -9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.354 10.834 -8.768 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.765 9.127 -12.015 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.475 11.217 -10.508 1.00 0.00 H new ATOM 214 N TYR A 17 0.336 7.586 -6.633 1.00 0.00 N ATOM 215 CA TYR A 17 -0.666 6.699 -6.065 1.00 0.00 C ATOM 216 C TYR A 17 -2.078 7.209 -6.357 1.00 0.00 C ATOM 217 O TYR A 17 -2.348 8.404 -6.238 1.00 0.00 O ATOM 218 CB TYR A 17 -0.433 6.714 -4.553 1.00 0.00 C ATOM 219 CG TYR A 17 -0.354 8.117 -3.949 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.510 8.833 -3.713 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.873 8.667 -3.640 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.436 10.154 -3.145 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.948 9.988 -3.071 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.210 10.666 -2.852 1.00 0.00 C ATOM 225 OH TYR A 17 -0.140 11.914 -2.314 1.00 0.00 O ATOM 0 H TYR A 17 0.009 8.534 -6.821 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.580 5.699 -6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.239 6.165 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.493 6.182 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.471 8.402 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.778 8.107 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.333 10.725 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.902 10.430 -2.824 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.895 12.451 -2.634 1.00 0.00 H new ATOM 235 N CYS A 18 -2.943 6.279 -6.732 1.00 0.00 N ATOM 236 CA CYS A 18 -4.321 6.619 -7.042 1.00 0.00 C ATOM 237 C CYS A 18 -5.220 6.011 -5.963 1.00 0.00 C ATOM 238 O CYS A 18 -5.393 4.794 -5.907 1.00 0.00 O ATOM 239 CB CYS A 18 -4.718 6.153 -8.444 1.00 0.00 C ATOM 240 SG CYS A 18 -6.536 6.226 -8.637 1.00 0.00 S ATOM 0 H CYS A 18 -2.716 5.289 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.439 7.703 -7.044 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.239 6.782 -9.194 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.367 5.135 -8.611 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.862 5.830 -9.832 1.00 0.00 H new ATOM 246 N LEU A 19 -5.769 6.886 -5.133 1.00 0.00 N ATOM 247 CA LEU A 19 -6.645 6.451 -4.059 1.00 0.00 C ATOM 248 C LEU A 19 -8.073 6.318 -4.593 1.00 0.00 C ATOM 249 O LEU A 19 -8.650 7.289 -5.079 1.00 0.00 O ATOM 250 CB LEU A 19 -6.524 7.387 -2.855 1.00 0.00 C ATOM 251 CG LEU A 19 -5.108 7.849 -2.505 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.082 6.759 -2.819 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.773 9.169 -3.203 1.00 0.00 C ATOM 0 H LEU A 19 -5.624 7.894 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.345 5.467 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.137 8.269 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.946 6.884 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.065 8.032 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.084 7.113 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.311 5.865 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.119 6.520 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.761 9.475 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.840 9.037 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.479 9.937 -2.887 1.00 0.00 H new ATOM 265 N ASP A 20 -8.601 5.108 -4.486 1.00 0.00 N ATOM 266 CA ASP A 20 -9.950 4.835 -4.952 1.00 0.00 C ATOM 267 C ASP A 20 -10.591 3.776 -4.054 1.00 0.00 C ATOM 268 O ASP A 20 -10.181 2.617 -4.064 1.00 0.00 O ATOM 269 CB ASP A 20 -9.939 4.297 -6.384 1.00 0.00 C ATOM 270 CG ASP A 20 -11.269 3.714 -6.866 1.00 0.00 C ATOM 271 OD1 ASP A 20 -12.237 4.501 -6.946 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.287 2.496 -7.144 1.00 0.00 O ATOM 0 H ASP A 20 -8.119 4.305 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.513 5.768 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.648 5.104 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.172 3.526 -6.461 1.00 0.00 H new ATOM 277 N TYR A 21 -11.588 4.213 -3.298 1.00 0.00 N ATOM 278 CA TYR A 21 -12.291 3.317 -2.395 1.00 0.00 C ATOM 279 C TYR A 21 -13.587 2.806 -3.028 1.00 0.00 C ATOM 280 O TYR A 21 -14.514 3.580 -3.263 1.00 0.00 O ATOM 281 CB TYR A 21 -12.635 4.149 -1.158 1.00 0.00 C ATOM 282 CG TYR A 21 -13.257 3.341 -0.018 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.461 2.539 0.774 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.615 3.414 0.218 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.047 1.778 1.847 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.201 2.653 1.291 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.388 1.873 2.053 1.00 0.00 C ATOM 288 OH TYR A 21 -14.942 1.155 3.067 1.00 0.00 O ATOM 0 H TYR A 21 -11.926 5.176 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.674 2.450 -2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.728 4.632 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.325 4.942 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.398 2.482 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.238 4.042 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.435 1.146 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.262 2.701 1.486 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.601 0.237 3.042 1.00 0.00 H new ATOM 298 N ASP A 22 -13.609 1.507 -3.286 1.00 0.00 N ATOM 299 CA ASP A 22 -14.776 0.884 -3.888 1.00 0.00 C ATOM 300 C ASP A 22 -15.741 0.445 -2.784 1.00 0.00 C ATOM 301 O ASP A 22 -15.696 -0.699 -2.334 1.00 0.00 O ATOM 302 CB ASP A 22 -14.385 -0.356 -4.694 1.00 0.00 C ATOM 303 CG ASP A 22 -15.225 -0.605 -5.948 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.443 -0.331 -5.878 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.631 -1.063 -6.947 1.00 0.00 O ATOM 0 H ASP A 22 -12.838 0.869 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.242 1.613 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.339 -0.265 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.459 -1.230 -4.046 1.00 0.00 H new ATOM 310 N CYS A 23 -16.590 1.378 -2.379 1.00 0.00 N ATOM 311 CA CYS A 23 -17.563 1.102 -1.336 1.00 0.00 C ATOM 312 C CYS A 23 -18.163 -0.281 -1.593 1.00 0.00 C ATOM 313 O CYS A 23 -18.462 -1.017 -0.653 1.00 0.00 O ATOM 314 CB CYS A 23 -18.639 2.187 -1.266 1.00 0.00 C ATOM 315 SG CYS A 23 -19.861 1.945 -2.606 1.00 0.00 S ATOM 0 H CYS A 23 -16.624 2.326 -2.754 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.070 1.108 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.138 2.154 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.180 3.172 -1.355 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.771 2.870 -2.536 1.00 0.00 H new ATOM 321 N GLN A 24 -18.323 -0.594 -2.871 1.00 0.00 N ATOM 322 CA GLN A 24 -18.882 -1.876 -3.263 1.00 0.00 C ATOM 323 C GLN A 24 -18.038 -3.019 -2.695 1.00 0.00 C ATOM 324 O GLN A 24 -18.576 -3.971 -2.132 1.00 0.00 O ATOM 325 CB GLN A 24 -18.995 -1.982 -4.785 1.00 0.00 C ATOM 326 CG GLN A 24 -19.608 -0.713 -5.379 1.00 0.00 C ATOM 327 CD GLN A 24 -20.875 -1.036 -6.175 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.203 -2.183 -6.430 1.00 0.00 O ATOM 329 NE2 GLN A 24 -21.565 0.037 -6.551 1.00 0.00 N ATOM 0 H GLN A 24 -18.075 0.019 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.888 -1.953 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.008 -2.149 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.608 -2.844 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.846 -0.011 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.882 -0.223 -6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -21.233 0.969 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -22.426 -0.072 -7.087 1.00 0.00 H new ATOM 338 N LYS A 25 -16.731 -2.888 -2.863 1.00 0.00 N ATOM 339 CA LYS A 25 -15.808 -3.898 -2.374 1.00 0.00 C ATOM 340 C LYS A 25 -15.280 -3.478 -1.001 1.00 0.00 C ATOM 341 O LYS A 25 -14.478 -4.188 -0.397 1.00 0.00 O ATOM 342 CB LYS A 25 -14.706 -4.160 -3.403 1.00 0.00 C ATOM 343 CG LYS A 25 -15.198 -3.865 -4.821 1.00 0.00 C ATOM 344 CD LYS A 25 -14.258 -4.469 -5.865 1.00 0.00 C ATOM 345 CE LYS A 25 -15.032 -5.321 -6.873 1.00 0.00 C ATOM 346 NZ LYS A 25 -14.120 -6.255 -7.571 1.00 0.00 N ATOM 0 H LYS A 25 -16.289 -2.097 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.321 -4.851 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.839 -3.539 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.380 -5.198 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.202 -4.270 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.267 -2.787 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.729 -3.672 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.504 -5.081 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.813 -5.882 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.527 -4.676 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.662 -6.826 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.390 -5.714 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.667 -6.882 -6.876 1.00 0.00 H new ATOM 360 N ALA A 26 -15.751 -2.326 -0.548 1.00 0.00 N ATOM 361 CA ALA A 26 -15.337 -1.803 0.743 1.00 0.00 C ATOM 362 C ALA A 26 -13.836 -2.039 0.926 1.00 0.00 C ATOM 363 O ALA A 26 -13.384 -2.359 2.024 1.00 0.00 O ATOM 364 CB ALA A 26 -16.169 -2.455 1.849 1.00 0.00 C ATOM 0 H ALA A 26 -16.416 -1.739 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.511 -0.728 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.858 -2.063 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.224 -2.233 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.018 -3.534 1.830 1.00 0.00 H new ATOM 370 N GLU A 27 -13.106 -1.873 -0.167 1.00 0.00 N ATOM 371 CA GLU A 27 -11.666 -2.064 -0.141 1.00 0.00 C ATOM 372 C GLU A 27 -10.963 -0.897 -0.836 1.00 0.00 C ATOM 373 O GLU A 27 -11.306 -0.544 -1.964 1.00 0.00 O ATOM 374 CB GLU A 27 -11.278 -3.398 -0.782 1.00 0.00 C ATOM 375 CG GLU A 27 -11.318 -4.532 0.245 1.00 0.00 C ATOM 376 CD GLU A 27 -9.915 -4.852 0.764 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.061 -3.943 0.687 1.00 0.00 O ATOM 378 OE2 GLU A 27 -9.729 -5.999 1.226 1.00 0.00 O ATOM 0 H GLU A 27 -13.485 -1.608 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.342 -2.090 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.958 -3.622 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.277 -3.323 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.962 -4.250 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.754 -5.422 -0.208 1.00 0.00 H new ATOM 385 N LEU A 28 -9.992 -0.330 -0.135 1.00 0.00 N ATOM 386 CA LEU A 28 -9.237 0.790 -0.671 1.00 0.00 C ATOM 387 C LEU A 28 -8.318 0.292 -1.789 1.00 0.00 C ATOM 388 O LEU A 28 -8.061 -0.906 -1.898 1.00 0.00 O ATOM 389 CB LEU A 28 -8.500 1.525 0.450 1.00 0.00 C ATOM 390 CG LEU A 28 -8.001 2.932 0.114 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.700 2.875 -0.690 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.083 3.742 -0.603 1.00 0.00 C ATOM 0 H LEU A 28 -9.711 -0.625 0.800 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.909 1.525 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.164 1.593 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.645 0.921 0.753 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.780 3.448 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.367 3.888 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.934 2.363 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.871 2.334 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.702 4.738 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.360 3.239 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.960 3.827 0.039 1.00 0.00 H new ATOM 404 N PHE A 29 -7.848 1.237 -2.589 1.00 0.00 N ATOM 405 CA PHE A 29 -6.963 0.910 -3.694 1.00 0.00 C ATOM 406 C PHE A 29 -5.943 2.026 -3.929 1.00 0.00 C ATOM 407 O PHE A 29 -6.281 3.206 -3.857 1.00 0.00 O ATOM 408 CB PHE A 29 -7.838 0.765 -4.941 1.00 0.00 C ATOM 409 CG PHE A 29 -8.707 -0.494 -4.947 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.938 -0.474 -4.368 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.250 -1.634 -5.532 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.745 -1.642 -4.375 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.057 -2.802 -5.539 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.288 -2.781 -4.960 1.00 0.00 C ATOM 0 H PHE A 29 -8.063 2.230 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.415 -0.006 -3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.483 1.640 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.198 0.757 -5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.301 0.431 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.273 -1.651 -5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.722 -1.626 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.694 -3.707 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.902 -3.669 -4.965 1.00 0.00 H new ATOM 424 N VAL A 30 -4.714 1.613 -4.205 1.00 0.00 N ATOM 425 CA VAL A 30 -3.643 2.563 -4.451 1.00 0.00 C ATOM 426 C VAL A 30 -2.950 2.214 -5.770 1.00 0.00 C ATOM 427 O VAL A 30 -1.857 1.649 -5.770 1.00 0.00 O ATOM 428 CB VAL A 30 -2.683 2.588 -3.260 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.616 3.671 -3.438 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.444 2.779 -1.946 1.00 0.00 C ATOM 0 H VAL A 30 -4.437 0.633 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.043 3.572 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.177 1.623 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.947 3.667 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.043 3.472 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.097 4.646 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.738 2.793 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.989 3.722 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.148 1.958 -1.810 1.00 0.00 H new ATOM 440 N THR A 31 -3.614 2.564 -6.861 1.00 0.00 N ATOM 441 CA THR A 31 -3.076 2.295 -8.183 1.00 0.00 C ATOM 442 C THR A 31 -2.172 3.443 -8.635 1.00 0.00 C ATOM 443 O THR A 31 -1.851 4.332 -7.847 1.00 0.00 O ATOM 444 CB THR A 31 -4.252 2.039 -9.129 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.156 3.106 -8.855 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.038 0.780 -8.759 1.00 0.00 C ATOM 0 H THR A 31 -4.520 3.032 -6.857 1.00 0.00 H new ATOM 0 HA THR A 31 -2.443 1.407 -8.179 1.00 0.00 H new ATOM 0 HB THR A 31 -3.883 1.949 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.947 3.019 -9.426 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.861 0.645 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.378 -0.087 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.436 0.883 -7.750 1.00 0.00 H new ATOM 454 N ARG A 32 -1.786 3.387 -9.901 1.00 0.00 N ATOM 455 CA ARG A 32 -0.925 4.412 -10.467 1.00 0.00 C ATOM 456 C ARG A 32 0.404 4.465 -9.710 1.00 0.00 C ATOM 457 O ARG A 32 1.005 5.531 -9.578 1.00 0.00 O ATOM 458 CB ARG A 32 -1.593 5.787 -10.409 1.00 0.00 C ATOM 459 CG ARG A 32 -2.905 5.793 -11.195 1.00 0.00 C ATOM 460 CD ARG A 32 -2.648 5.606 -12.692 1.00 0.00 C ATOM 461 NE ARG A 32 -3.435 6.591 -13.467 1.00 0.00 N ATOM 462 CZ ARG A 32 -3.401 6.696 -14.803 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.617 5.878 -15.519 1.00 0.00 N ATOM 464 NH2 ARG A 32 -4.149 7.619 -15.422 1.00 0.00 N ATOM 0 H ARG A 32 -2.053 2.648 -10.551 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.743 4.154 -11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.786 6.058 -9.371 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.918 6.540 -10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.554 4.997 -10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.429 6.734 -11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.586 5.728 -12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.919 4.594 -12.992 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.041 7.230 -12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.047 5.176 -15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.591 5.957 -16.536 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.745 8.242 -14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.123 7.699 -16.439 1.00 0.00 H new ATOM 478 N LEU A 33 0.824 3.303 -9.233 1.00 0.00 N ATOM 479 CA LEU A 33 2.071 3.204 -8.494 1.00 0.00 C ATOM 480 C LEU A 33 3.239 3.529 -9.426 1.00 0.00 C ATOM 481 O LEU A 33 3.659 2.687 -10.218 1.00 0.00 O ATOM 482 CB LEU A 33 2.186 1.836 -7.818 1.00 0.00 C ATOM 483 CG LEU A 33 2.335 1.851 -6.295 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.393 2.876 -5.661 1.00 0.00 C ATOM 485 CD2 LEU A 33 2.136 0.451 -5.711 1.00 0.00 C ATOM 0 H LEU A 33 0.323 2.422 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 33 2.094 3.936 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.301 1.252 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.044 1.314 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 33 3.353 2.159 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.520 2.866 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.626 3.870 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.362 2.624 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.247 0.490 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.138 0.091 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.881 -0.227 -6.128 1.00 0.00 H new ATOM 497 N GLU A 34 3.732 4.752 -9.301 1.00 0.00 N ATOM 498 CA GLU A 34 4.844 5.199 -10.122 1.00 0.00 C ATOM 499 C GLU A 34 5.830 6.016 -9.283 1.00 0.00 C ATOM 500 O GLU A 34 5.737 7.241 -9.228 1.00 0.00 O ATOM 501 CB GLU A 34 4.349 6.005 -11.324 1.00 0.00 C ATOM 502 CG GLU A 34 3.461 5.149 -12.230 1.00 0.00 C ATOM 503 CD GLU A 34 2.174 5.891 -12.597 1.00 0.00 C ATOM 504 OE1 GLU A 34 2.289 7.082 -12.959 1.00 0.00 O ATOM 505 OE2 GLU A 34 1.104 5.251 -12.506 1.00 0.00 O ATOM 0 H GLU A 34 3.381 5.448 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 34 5.363 4.320 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.791 6.875 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.201 6.379 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.006 4.888 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.215 4.214 -11.726 1.00 0.00 H new ATOM 512 N ALA A 35 6.751 5.304 -8.651 1.00 0.00 N ATOM 513 CA ALA A 35 7.752 5.947 -7.818 1.00 0.00 C ATOM 514 C ALA A 35 8.643 6.833 -8.690 1.00 0.00 C ATOM 515 O ALA A 35 8.865 6.534 -9.863 1.00 0.00 O ATOM 516 CB ALA A 35 8.550 4.881 -7.063 1.00 0.00 C ATOM 0 H ALA A 35 6.825 4.288 -8.699 1.00 0.00 H new ATOM 0 HA ALA A 35 7.278 6.587 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.301 5.364 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.876 4.298 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.042 4.221 -7.777 1.00 0.00 H new ATOM 522 N VAL A 36 9.129 7.907 -8.085 1.00 0.00 N ATOM 523 CA VAL A 36 9.990 8.839 -8.793 1.00 0.00 C ATOM 524 C VAL A 36 11.185 9.196 -7.906 1.00 0.00 C ATOM 525 O VAL A 36 11.266 10.307 -7.385 1.00 0.00 O ATOM 526 CB VAL A 36 9.186 10.064 -9.233 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.113 11.216 -9.627 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.233 9.712 -10.378 1.00 0.00 C ATOM 0 H VAL A 36 8.943 8.152 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 36 10.383 8.382 -9.701 1.00 0.00 H new ATOM 0 HB VAL A 36 8.585 10.392 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.516 12.074 -9.936 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.732 11.493 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.752 10.903 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.674 10.600 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.807 9.346 -11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.539 8.938 -10.049 1.00 0.00 H new ATOM 631 N ASP A 45 16.477 -3.498 -4.539 1.00 0.00 N ATOM 632 CA ASP A 45 15.087 -3.764 -4.866 1.00 0.00 C ATOM 633 C ASP A 45 14.185 -2.893 -3.990 1.00 0.00 C ATOM 634 O ASP A 45 14.323 -2.884 -2.767 1.00 0.00 O ATOM 635 CB ASP A 45 14.729 -5.228 -4.603 1.00 0.00 C ATOM 636 CG ASP A 45 15.747 -6.246 -5.122 1.00 0.00 C ATOM 637 OD1 ASP A 45 16.725 -5.797 -5.757 1.00 0.00 O ATOM 638 OD2 ASP A 45 15.524 -7.450 -4.871 1.00 0.00 O ATOM 0 HA ASP A 45 14.942 -3.541 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.611 -5.370 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.762 -5.438 -5.061 1.00 0.00 H new ATOM 643 N CYS A 46 13.283 -2.181 -4.648 1.00 0.00 N ATOM 644 CA CYS A 46 12.359 -1.308 -3.944 1.00 0.00 C ATOM 645 C CYS A 46 10.932 -1.738 -4.291 1.00 0.00 C ATOM 646 O CYS A 46 10.709 -2.403 -5.301 1.00 0.00 O ATOM 647 CB CYS A 46 12.608 0.165 -4.276 1.00 0.00 C ATOM 648 SG CYS A 46 11.949 0.551 -5.939 1.00 0.00 S ATOM 0 H CYS A 46 13.172 -2.191 -5.662 1.00 0.00 H new ATOM 0 HA CYS A 46 12.514 -1.402 -2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.131 0.800 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.676 0.379 -4.240 1.00 0.00 H new ATOM 0 HG CYS A 46 12.163 1.804 -6.211 1.00 0.00 H new ATOM 654 N TYR A 47 10.003 -1.341 -3.433 1.00 0.00 N ATOM 655 CA TYR A 47 8.605 -1.677 -3.636 1.00 0.00 C ATOM 656 C TYR A 47 7.694 -0.734 -2.847 1.00 0.00 C ATOM 657 O TYR A 47 8.110 -0.161 -1.841 1.00 0.00 O ATOM 658 CB TYR A 47 8.431 -3.100 -3.103 1.00 0.00 C ATOM 659 CG TYR A 47 9.016 -3.317 -1.706 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.384 -3.365 -1.530 1.00 0.00 C ATOM 661 CD2 TYR A 47 8.175 -3.463 -0.621 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.934 -3.569 -0.215 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.725 -3.667 0.694 1.00 0.00 C ATOM 664 CZ TYR A 47 10.077 -3.710 0.832 1.00 0.00 C ATOM 665 OH TYR A 47 10.597 -3.902 2.074 1.00 0.00 O ATOM 0 H TYR A 47 10.192 -0.790 -2.596 1.00 0.00 H new ATOM 0 HA TYR A 47 8.339 -1.590 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.368 -3.342 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.903 -3.797 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.042 -3.250 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.104 -3.424 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.003 -3.609 -0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.078 -3.783 1.551 1.00 0.00 H new ATOM 0 HH TYR A 47 9.869 -3.985 2.724 1.00 0.00 H new ATOM 675 N VAL A 48 6.468 -0.603 -3.332 1.00 0.00 N ATOM 676 CA VAL A 48 5.495 0.259 -2.684 1.00 0.00 C ATOM 677 C VAL A 48 4.695 -0.556 -1.666 1.00 0.00 C ATOM 678 O VAL A 48 4.378 -1.719 -1.909 1.00 0.00 O ATOM 679 CB VAL A 48 4.613 0.935 -3.735 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.889 2.148 -3.147 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.431 1.329 -4.967 1.00 0.00 C ATOM 0 H VAL A 48 6.126 -1.080 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 48 5.997 1.058 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 48 3.858 0.215 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.269 2.610 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.259 1.829 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.622 2.871 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.780 1.807 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.219 2.023 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.878 0.438 -5.407 1.00 0.00 H new ATOM 691 N GLN A 49 4.391 0.087 -0.548 1.00 0.00 N ATOM 692 CA GLN A 49 3.634 -0.564 0.507 1.00 0.00 C ATOM 693 C GLN A 49 2.592 0.398 1.083 1.00 0.00 C ATOM 694 O GLN A 49 2.937 1.470 1.578 1.00 0.00 O ATOM 695 CB GLN A 49 4.562 -1.088 1.605 1.00 0.00 C ATOM 696 CG GLN A 49 3.767 -1.797 2.703 1.00 0.00 C ATOM 697 CD GLN A 49 4.504 -1.734 4.042 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.713 -1.878 4.122 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.711 -1.510 5.086 1.00 0.00 N ATOM 0 H GLN A 49 4.655 1.052 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 49 3.113 -1.420 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.288 -1.777 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.125 -0.260 2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.785 -1.334 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.602 -2.838 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.706 -1.399 4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.107 -1.449 6.024 1.00 0.00 H new ATOM 708 N GLY A 50 1.337 -0.021 1.000 1.00 0.00 N ATOM 709 CA GLY A 50 0.243 0.790 1.506 1.00 0.00 C ATOM 710 C GLY A 50 -0.267 0.248 2.844 1.00 0.00 C ATOM 711 O GLY A 50 -0.486 -0.953 2.988 1.00 0.00 O ATOM 0 H GLY A 50 1.054 -0.911 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.576 1.820 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.571 0.803 0.781 1.00 0.00 H new ATOM 715 N SER A 51 -0.441 1.162 3.788 1.00 0.00 N ATOM 716 CA SER A 51 -0.920 0.791 5.108 1.00 0.00 C ATOM 717 C SER A 51 -2.127 1.652 5.487 1.00 0.00 C ATOM 718 O SER A 51 -2.098 2.872 5.329 1.00 0.00 O ATOM 719 CB SER A 51 0.185 0.935 6.156 1.00 0.00 C ATOM 720 OG SER A 51 0.819 2.210 6.091 1.00 0.00 O ATOM 0 H SER A 51 -0.259 2.158 3.664 1.00 0.00 H new ATOM 0 HA SER A 51 -1.222 -0.256 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.237 0.790 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.929 0.152 6.009 1.00 0.00 H new ATOM 0 HG SER A 51 1.155 2.363 5.183 1.00 0.00 H new ATOM 726 N VAL A 52 -3.159 0.984 5.980 1.00 0.00 N ATOM 727 CA VAL A 52 -4.373 1.673 6.383 1.00 0.00 C ATOM 728 C VAL A 52 -4.708 1.303 7.830 1.00 0.00 C ATOM 729 O VAL A 52 -4.560 0.149 8.230 1.00 0.00 O ATOM 730 CB VAL A 52 -5.506 1.351 5.407 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.805 1.045 6.155 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.705 2.490 4.404 1.00 0.00 C ATOM 0 H VAL A 52 -3.180 -0.028 6.110 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.229 2.753 6.348 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.224 0.458 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.594 0.820 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.654 0.187 6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.094 1.910 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.516 2.236 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.954 3.406 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.787 2.640 3.836 1.00 0.00 H new ATOM 742 N ALA A 53 -5.153 2.304 8.575 1.00 0.00 N ATOM 743 CA ALA A 53 -5.510 2.099 9.968 1.00 0.00 C ATOM 744 C ALA A 53 -7.000 2.393 10.157 1.00 0.00 C ATOM 745 O ALA A 53 -7.442 3.524 9.961 1.00 0.00 O ATOM 746 CB ALA A 53 -4.625 2.975 10.857 1.00 0.00 C ATOM 0 H ALA A 53 -5.274 3.260 8.240 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.339 1.063 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.893 2.821 11.902 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.579 2.706 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.771 4.023 10.596 1.00 0.00 H new ATOM 752 N ASN A 54 -7.732 1.356 10.536 1.00 0.00 N ATOM 753 CA ASN A 54 -9.162 1.489 10.754 1.00 0.00 C ATOM 754 C ASN A 54 -9.465 1.317 12.243 1.00 0.00 C ATOM 755 O ASN A 54 -8.643 0.791 12.991 1.00 0.00 O ATOM 756 CB ASN A 54 -9.939 0.417 9.987 1.00 0.00 C ATOM 757 CG ASN A 54 -9.055 -0.798 9.697 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.916 -1.704 10.502 1.00 0.00 O ATOM 759 ND2 ASN A 54 -8.466 -0.766 8.504 1.00 0.00 N ATOM 0 H ASN A 54 -7.361 0.420 10.698 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.466 2.475 10.403 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.809 0.108 10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.311 0.832 9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.855 -1.531 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.625 0.023 7.878 1.00 0.00 H new ATOM 766 N ARG A 55 -10.648 1.772 12.630 1.00 0.00 N ATOM 767 CA ARG A 55 -11.070 1.676 14.017 1.00 0.00 C ATOM 768 C ARG A 55 -11.078 0.214 14.469 1.00 0.00 C ATOM 769 O ARG A 55 -11.139 -0.070 15.664 1.00 0.00 O ATOM 770 CB ARG A 55 -12.467 2.270 14.211 1.00 0.00 C ATOM 771 CG ARG A 55 -12.424 3.474 15.155 1.00 0.00 C ATOM 772 CD ARG A 55 -13.745 4.245 15.119 1.00 0.00 C ATOM 773 NE ARG A 55 -14.223 4.492 16.498 1.00 0.00 N ATOM 774 CZ ARG A 55 -15.275 5.267 16.800 1.00 0.00 C ATOM 775 NH1 ARG A 55 -15.963 5.873 15.824 1.00 0.00 N ATOM 776 NH2 ARG A 55 -15.637 5.434 18.079 1.00 0.00 N ATOM 0 H ARG A 55 -11.328 2.208 12.007 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.360 2.243 14.619 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.874 2.574 13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.136 1.510 14.615 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.223 3.137 16.172 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.605 4.135 14.871 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.609 5.192 14.597 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.491 3.679 14.562 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.721 4.045 17.266 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.687 5.745 14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.763 6.462 16.054 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.113 4.972 18.822 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.437 6.023 18.310 1.00 0.00 H new ATOM 790 N THR A 56 -11.016 -0.676 13.489 1.00 0.00 N ATOM 791 CA THR A 56 -11.016 -2.101 13.771 1.00 0.00 C ATOM 792 C THR A 56 -9.587 -2.599 13.999 1.00 0.00 C ATOM 793 O THR A 56 -9.365 -3.521 14.783 1.00 0.00 O ATOM 794 CB THR A 56 -11.730 -2.811 12.618 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.999 -2.415 11.461 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.138 -2.263 12.376 1.00 0.00 C ATOM 0 H THR A 56 -10.965 -0.437 12.499 1.00 0.00 H new ATOM 0 HA THR A 56 -11.555 -2.322 14.692 1.00 0.00 H new ATOM 0 HB THR A 56 -11.788 -3.879 12.829 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.062 -2.687 11.557 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.600 -2.801 11.548 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.739 -2.395 13.275 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.079 -1.202 12.132 1.00 0.00 H new ATOM 804 N GLY A 57 -8.656 -1.967 13.301 1.00 0.00 N ATOM 805 CA GLY A 57 -7.255 -2.334 13.418 1.00 0.00 C ATOM 806 C GLY A 57 -6.403 -1.580 12.395 1.00 0.00 C ATOM 807 O GLY A 57 -6.425 -0.351 12.350 1.00 0.00 O ATOM 0 H GLY A 57 -8.844 -1.203 12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.901 -2.113 14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.143 -3.408 13.269 1.00 0.00 H new ATOM 811 N SER A 58 -5.672 -2.347 11.600 1.00 0.00 N ATOM 812 CA SER A 58 -4.814 -1.766 10.581 1.00 0.00 C ATOM 813 C SER A 58 -4.462 -2.821 9.530 1.00 0.00 C ATOM 814 O SER A 58 -4.290 -3.995 9.857 1.00 0.00 O ATOM 815 CB SER A 58 -3.540 -1.186 11.198 1.00 0.00 C ATOM 816 OG SER A 58 -2.879 -2.126 12.041 1.00 0.00 O ATOM 0 H SER A 58 -5.656 -3.366 11.641 1.00 0.00 H new ATOM 0 HA SER A 58 -5.356 -0.951 10.102 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.863 -0.873 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.789 -0.295 11.774 1.00 0.00 H new ATOM 0 HG SER A 58 -2.070 -1.718 12.414 1.00 0.00 H new ATOM 822 N VAL A 59 -4.365 -2.366 8.290 1.00 0.00 N ATOM 823 CA VAL A 59 -4.037 -3.256 7.189 1.00 0.00 C ATOM 824 C VAL A 59 -2.737 -2.788 6.531 1.00 0.00 C ATOM 825 O VAL A 59 -2.281 -1.672 6.775 1.00 0.00 O ATOM 826 CB VAL A 59 -5.209 -3.332 6.210 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.190 -4.435 6.612 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.920 -1.981 6.099 1.00 0.00 C ATOM 0 H VAL A 59 -4.508 -1.392 8.023 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.870 -4.270 7.554 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.808 -3.582 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.014 -4.467 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.676 -5.396 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.581 -4.229 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.749 -2.063 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.301 -1.689 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.217 -1.228 5.744 1.00 0.00 H new ATOM 838 N GLU A 60 -2.178 -3.664 5.710 1.00 0.00 N ATOM 839 CA GLU A 60 -0.940 -3.354 5.015 1.00 0.00 C ATOM 840 C GLU A 60 -0.804 -4.222 3.762 1.00 0.00 C ATOM 841 O GLU A 60 -1.221 -5.379 3.755 1.00 0.00 O ATOM 842 CB GLU A 60 0.266 -3.531 5.939 1.00 0.00 C ATOM 843 CG GLU A 60 0.291 -2.451 7.022 1.00 0.00 C ATOM 844 CD GLU A 60 1.692 -2.305 7.619 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.109 -3.248 8.325 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.314 -1.253 7.355 1.00 0.00 O ATOM 0 H GLU A 60 -2.559 -4.589 5.510 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.970 -2.309 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.231 -4.516 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.185 -3.487 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.029 -1.499 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.419 -2.704 7.809 1.00 0.00 H new ATOM 853 N ALA A 61 -0.218 -3.630 2.732 1.00 0.00 N ATOM 854 CA ALA A 61 -0.021 -4.334 1.476 1.00 0.00 C ATOM 855 C ALA A 61 1.196 -3.751 0.755 1.00 0.00 C ATOM 856 O ALA A 61 1.712 -2.705 1.147 1.00 0.00 O ATOM 857 CB ALA A 61 -1.296 -4.245 0.635 1.00 0.00 C ATOM 0 H ALA A 61 0.127 -2.670 2.741 1.00 0.00 H new ATOM 0 HA ALA A 61 0.177 -5.391 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.148 -4.773 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.124 -4.699 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.526 -3.199 0.432 1.00 0.00 H new ATOM 863 N GLN A 62 1.618 -4.452 -0.288 1.00 0.00 N ATOM 864 CA GLN A 62 2.764 -4.016 -1.068 1.00 0.00 C ATOM 865 C GLN A 62 2.775 -4.715 -2.429 1.00 0.00 C ATOM 866 O GLN A 62 2.082 -5.711 -2.625 1.00 0.00 O ATOM 867 CB GLN A 62 4.069 -4.267 -0.311 1.00 0.00 C ATOM 868 CG GLN A 62 4.101 -5.680 0.274 1.00 0.00 C ATOM 869 CD GLN A 62 5.120 -6.555 -0.460 1.00 0.00 C ATOM 870 OE1 GLN A 62 6.165 -6.101 -0.898 1.00 0.00 O ATOM 871 NE2 GLN A 62 4.760 -7.830 -0.569 1.00 0.00 N ATOM 0 H GLN A 62 1.187 -5.318 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 62 2.680 -2.942 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.916 -4.129 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.175 -3.536 0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.353 -5.633 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.111 -6.130 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.871 -8.144 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.373 -8.494 -1.042 1.00 0.00 H new ATOM 880 N THR A 63 3.571 -4.164 -3.334 1.00 0.00 N ATOM 881 CA THR A 63 3.683 -4.723 -4.671 1.00 0.00 C ATOM 882 C THR A 63 4.997 -5.492 -4.820 1.00 0.00 C ATOM 883 O THR A 63 5.808 -5.528 -3.896 1.00 0.00 O ATOM 884 CB THR A 63 3.532 -3.578 -5.675 1.00 0.00 C ATOM 885 OG1 THR A 63 4.536 -2.644 -5.290 1.00 0.00 O ATOM 886 CG2 THR A 63 2.220 -2.811 -5.495 1.00 0.00 C ATOM 0 H THR A 63 4.144 -3.337 -3.168 1.00 0.00 H new ATOM 0 HA THR A 63 2.894 -5.450 -4.863 1.00 0.00 H new ATOM 0 HB THR A 63 3.584 -3.975 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.181 -2.538 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.163 -2.010 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.379 -3.491 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.182 -2.385 -4.492 1.00 0.00 H new ATOM 894 N ALA A 64 5.166 -6.090 -5.990 1.00 0.00 N ATOM 895 CA ALA A 64 6.368 -6.856 -6.272 1.00 0.00 C ATOM 896 C ALA A 64 7.586 -5.935 -6.191 1.00 0.00 C ATOM 897 O ALA A 64 7.451 -4.714 -6.253 1.00 0.00 O ATOM 898 CB ALA A 64 6.235 -7.529 -7.640 1.00 0.00 C ATOM 0 H ALA A 64 4.491 -6.060 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 64 6.503 -7.645 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.137 -8.104 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.373 -8.195 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.101 -6.768 -8.409 1.00 0.00 H new ATOM 904 N LEU A 65 8.749 -6.555 -6.055 1.00 0.00 N ATOM 905 CA LEU A 65 9.991 -5.805 -5.966 1.00 0.00 C ATOM 906 C LEU A 65 10.486 -5.476 -7.375 1.00 0.00 C ATOM 907 O LEU A 65 10.455 -6.328 -8.262 1.00 0.00 O ATOM 908 CB LEU A 65 11.013 -6.563 -5.116 1.00 0.00 C ATOM 909 CG LEU A 65 10.953 -6.307 -3.608 1.00 0.00 C ATOM 910 CD1 LEU A 65 10.344 -7.503 -2.874 1.00 0.00 C ATOM 911 CD2 LEU A 65 12.333 -5.939 -3.059 1.00 0.00 C ATOM 0 H LEU A 65 8.858 -7.568 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 65 9.827 -4.855 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.879 -7.631 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.012 -6.306 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 65 10.299 -5.453 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.313 -7.296 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.332 -7.678 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.953 -8.389 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.262 -5.762 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.029 -6.756 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.692 -5.036 -3.553 1.00 0.00 H new ATOM 923 N LYS A 66 10.931 -4.239 -7.538 1.00 0.00 N ATOM 924 CA LYS A 66 11.431 -3.787 -8.825 1.00 0.00 C ATOM 925 C LYS A 66 12.792 -3.114 -8.630 1.00 0.00 C ATOM 926 O LYS A 66 13.163 -2.771 -7.509 1.00 0.00 O ATOM 927 CB LYS A 66 10.399 -2.897 -9.519 1.00 0.00 C ATOM 928 CG LYS A 66 9.143 -3.693 -9.881 1.00 0.00 C ATOM 929 CD LYS A 66 8.798 -3.528 -11.362 1.00 0.00 C ATOM 930 CE LYS A 66 7.286 -3.399 -11.561 1.00 0.00 C ATOM 931 NZ LYS A 66 6.907 -3.811 -12.932 1.00 0.00 N ATOM 0 H LYS A 66 10.956 -3.535 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 66 11.586 -4.635 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.132 -2.066 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.833 -2.466 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.299 -4.748 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.306 -3.357 -9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.298 -2.644 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.171 -4.385 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.763 -4.017 -10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.977 -2.369 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.498 -3.000 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.751 -4.146 -13.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.206 -4.577 -12.883 1.00 0.00 H new ATOM 945 N LYS A 67 13.497 -2.945 -9.739 1.00 0.00 N ATOM 946 CA LYS A 67 14.808 -2.320 -9.704 1.00 0.00 C ATOM 947 C LYS A 67 14.641 -0.799 -9.655 1.00 0.00 C ATOM 948 O LYS A 67 14.022 -0.210 -10.540 1.00 0.00 O ATOM 949 CB LYS A 67 15.666 -2.807 -10.874 1.00 0.00 C ATOM 950 CG LYS A 67 16.802 -1.825 -11.167 1.00 0.00 C ATOM 951 CD LYS A 67 18.128 -2.564 -11.361 1.00 0.00 C ATOM 952 CE LYS A 67 18.072 -3.475 -12.589 1.00 0.00 C ATOM 953 NZ LYS A 67 19.091 -4.544 -12.488 1.00 0.00 N ATOM 0 H LYS A 67 13.185 -3.230 -10.667 1.00 0.00 H new ATOM 0 HA LYS A 67 15.346 -2.612 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.080 -3.788 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.044 -2.925 -11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.568 -1.249 -12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.894 -1.114 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.937 -1.843 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.352 -3.156 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.080 -3.917 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.240 -2.888 -13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.040 -5.153 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 20.037 -4.117 -12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.913 -5.114 -11.636 1.00 0.00 H new ATOM 967 N ARG A 68 15.205 -0.208 -8.612 1.00 0.00 N ATOM 968 CA ARG A 68 15.127 1.232 -8.436 1.00 0.00 C ATOM 969 C ARG A 68 15.367 1.944 -9.770 1.00 0.00 C ATOM 970 O ARG A 68 16.441 1.824 -10.357 1.00 0.00 O ATOM 971 CB ARG A 68 16.156 1.719 -7.414 1.00 0.00 C ATOM 972 CG ARG A 68 15.914 3.185 -7.048 1.00 0.00 C ATOM 973 CD ARG A 68 15.187 3.302 -5.707 1.00 0.00 C ATOM 974 NE ARG A 68 15.669 4.494 -4.973 1.00 0.00 N ATOM 975 CZ ARG A 68 15.170 4.906 -3.799 1.00 0.00 C ATOM 976 NH1 ARG A 68 14.172 4.225 -3.219 1.00 0.00 N ATOM 977 NH2 ARG A 68 15.669 5.999 -3.206 1.00 0.00 N ATOM 0 H ARG A 68 15.718 -0.700 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 68 14.128 1.467 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.102 1.103 -6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.161 1.603 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.866 3.713 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.325 3.666 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.112 3.376 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.357 2.405 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 68 16.428 5.036 -5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.792 3.393 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.792 4.539 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.428 6.517 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.290 6.313 -2.313 1.00 0.00 H new ATOM 991 N GLN A 69 14.348 2.669 -10.209 1.00 0.00 N ATOM 992 CA GLN A 69 14.435 3.399 -11.462 1.00 0.00 C ATOM 993 C GLN A 69 13.947 4.837 -11.273 1.00 0.00 C ATOM 994 O GLN A 69 13.358 5.166 -10.244 1.00 0.00 O ATOM 995 CB GLN A 69 13.644 2.692 -12.564 1.00 0.00 C ATOM 996 CG GLN A 69 14.412 1.483 -13.102 1.00 0.00 C ATOM 997 CD GLN A 69 15.575 1.925 -13.994 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.594 3.017 -14.538 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.540 1.017 -14.113 1.00 0.00 N ATOM 0 H GLN A 69 13.459 2.766 -9.719 1.00 0.00 H new ATOM 0 HA GLN A 69 15.480 3.428 -11.772 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.679 2.370 -12.174 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.442 3.390 -13.377 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.792 0.889 -12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.737 0.842 -13.669 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.461 0.122 -13.630 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.359 1.216 -14.687 1.00 0.00 H new ATOM 1008 N LEU A 70 14.211 5.655 -12.281 1.00 0.00 N ATOM 1009 CA LEU A 70 13.806 7.050 -12.239 1.00 0.00 C ATOM 1010 C LEU A 70 12.280 7.135 -12.298 1.00 0.00 C ATOM 1011 O LEU A 70 11.700 8.175 -11.987 1.00 0.00 O ATOM 1012 CB LEU A 70 14.509 7.845 -13.340 1.00 0.00 C ATOM 1013 CG LEU A 70 15.484 8.926 -12.869 1.00 0.00 C ATOM 1014 CD1 LEU A 70 14.882 9.748 -11.728 1.00 0.00 C ATOM 1015 CD2 LEU A 70 16.835 8.317 -12.485 1.00 0.00 C ATOM 0 H LEU A 70 14.701 5.379 -13.132 1.00 0.00 H new ATOM 0 HA LEU A 70 14.115 7.509 -11.300 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.052 7.145 -13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.748 8.316 -13.963 1.00 0.00 H new ATOM 0 HG LEU A 70 15.663 9.609 -13.699 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.595 10.509 -11.412 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.966 10.229 -12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.655 9.092 -10.887 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.509 9.107 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.694 7.598 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.265 7.812 -13.350 1.00 0.00 H new ATOM 1027 N HIS A 71 11.672 6.028 -12.698 1.00 0.00 N ATOM 1028 CA HIS A 71 10.224 5.965 -12.801 1.00 0.00 C ATOM 1029 C HIS A 71 9.772 4.503 -12.798 1.00 0.00 C ATOM 1030 O HIS A 71 9.439 3.950 -13.845 1.00 0.00 O ATOM 1031 CB HIS A 71 9.733 6.734 -14.029 1.00 0.00 C ATOM 1032 CG HIS A 71 8.345 7.310 -13.879 1.00 0.00 C ATOM 1033 ND1 HIS A 71 7.681 7.947 -14.913 1.00 0.00 N ATOM 1034 CD2 HIS A 71 7.502 7.337 -12.807 1.00 0.00 C ATOM 1035 CE1 HIS A 71 6.495 8.337 -14.472 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.386 7.958 -13.166 1.00 0.00 N ATOM 0 H HIS A 71 12.156 5.167 -12.955 1.00 0.00 H new ATOM 0 HA HIS A 71 9.773 6.450 -11.935 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.431 7.544 -14.240 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.748 6.068 -14.892 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.708 6.923 -11.831 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.746 8.863 -15.045 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.579 8.125 -12.565 1.00 0.00 H new ATOM 1044 N THR A 72 9.775 3.919 -11.608 1.00 0.00 N ATOM 1045 CA THR A 72 9.370 2.532 -11.454 1.00 0.00 C ATOM 1046 C THR A 72 7.845 2.417 -11.480 1.00 0.00 C ATOM 1047 O THR A 72 7.157 3.048 -10.680 1.00 0.00 O ATOM 1048 CB THR A 72 9.999 1.996 -10.167 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.399 2.022 -10.427 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.689 0.516 -9.936 1.00 0.00 C ATOM 0 H THR A 72 10.051 4.381 -10.742 1.00 0.00 H new ATOM 0 HA THR A 72 9.725 1.921 -12.284 1.00 0.00 H new ATOM 0 HB THR A 72 9.640 2.578 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.873 1.547 -9.713 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.159 0.186 -9.009 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.610 0.377 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.077 -0.071 -10.768 1.00 0.00 H new ATOM 1058 N THR A 73 7.361 1.604 -12.408 1.00 0.00 N ATOM 1059 CA THR A 73 5.929 1.397 -12.549 1.00 0.00 C ATOM 1060 C THR A 73 5.586 -0.084 -12.384 1.00 0.00 C ATOM 1061 O THR A 73 6.278 -0.949 -12.919 1.00 0.00 O ATOM 1062 CB THR A 73 5.499 1.974 -13.899 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.400 1.383 -14.832 1.00 0.00 O ATOM 1064 CG2 THR A 73 5.777 3.474 -14.011 1.00 0.00 C ATOM 0 H THR A 73 7.935 1.081 -13.070 1.00 0.00 H new ATOM 0 HA THR A 73 5.375 1.916 -11.766 1.00 0.00 H new ATOM 0 HB THR A 73 4.435 1.791 -14.049 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.616 0.471 -14.545 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.453 3.832 -14.988 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.231 4.004 -13.231 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.845 3.656 -13.894 1.00 0.00 H new ATOM 1072 N TRP A 74 4.517 -0.332 -11.641 1.00 0.00 N ATOM 1073 CA TRP A 74 4.074 -1.694 -11.398 1.00 0.00 C ATOM 1074 C TRP A 74 2.870 -1.967 -12.302 1.00 0.00 C ATOM 1075 O TRP A 74 2.353 -1.056 -12.946 1.00 0.00 O ATOM 1076 CB TRP A 74 3.770 -1.916 -9.915 1.00 0.00 C ATOM 1077 CG TRP A 74 5.012 -1.940 -9.022 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.655 -3.009 -8.531 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.740 -0.795 -8.530 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.739 -2.638 -7.762 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.792 -1.249 -7.762 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.516 0.579 -8.729 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.705 -0.395 -7.130 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.437 1.419 -8.090 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.501 0.978 -7.314 1.00 0.00 C ATOM 0 H TRP A 74 3.945 0.388 -11.199 1.00 0.00 H new ATOM 0 HA TRP A 74 4.863 -2.406 -11.643 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.102 -1.127 -9.570 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.235 -2.859 -9.801 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.361 -4.032 -8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.383 -3.267 -7.282 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.699 0.956 -9.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.521 -0.775 -6.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.311 2.485 -8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.169 1.692 -6.854 1.00 0.00 H new ATOM 1096 N GLU A 75 2.459 -3.227 -12.322 1.00 0.00 N ATOM 1097 CA GLU A 75 1.326 -3.632 -13.137 1.00 0.00 C ATOM 1098 C GLU A 75 0.027 -3.509 -12.338 1.00 0.00 C ATOM 1099 O GLU A 75 -1.031 -3.238 -12.904 1.00 0.00 O ATOM 1100 CB GLU A 75 1.512 -5.055 -13.666 1.00 0.00 C ATOM 1101 CG GLU A 75 2.423 -5.069 -14.894 1.00 0.00 C ATOM 1102 CD GLU A 75 3.328 -6.302 -14.892 1.00 0.00 C ATOM 1103 OE1 GLU A 75 2.773 -7.414 -15.030 1.00 0.00 O ATOM 1104 OE2 GLU A 75 4.555 -6.106 -14.752 1.00 0.00 O ATOM 0 H GLU A 75 2.890 -3.981 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 75 1.265 -2.965 -13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.939 -5.684 -12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.542 -5.481 -13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.818 -5.060 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.033 -4.166 -14.909 1.00 0.00 H new ATOM 1111 N GLU A 76 0.150 -3.714 -11.034 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.002 -3.629 -10.152 1.00 0.00 C ATOM 1113 C GLU A 76 -0.710 -2.680 -8.988 1.00 0.00 C ATOM 1114 O GLU A 76 0.450 -2.417 -8.672 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.404 -5.014 -9.642 1.00 0.00 C ATOM 1116 CG GLU A 76 -0.380 -5.548 -8.637 1.00 0.00 C ATOM 1117 CD GLU A 76 -0.579 -7.045 -8.395 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -0.019 -7.828 -9.192 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -1.285 -7.373 -7.418 1.00 0.00 O ATOM 0 H GLU A 76 1.029 -3.938 -10.568 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.842 -3.229 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.386 -4.961 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.489 -5.704 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.628 -5.367 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.474 -5.008 -7.695 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.782 -2.191 -8.382 1.00 0.00 N ATOM 1127 CA GLY A 77 -1.656 -1.276 -7.260 1.00 0.00 C ATOM 1128 C GLY A 77 -1.959 -1.985 -5.938 1.00 0.00 C ATOM 1129 O GLY A 77 -2.110 -3.205 -5.904 1.00 0.00 O ATOM 0 H GLY A 77 -2.742 -2.411 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.647 -0.864 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.339 -0.437 -7.392 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.040 -1.189 -4.882 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.323 -1.724 -3.561 1.00 0.00 C ATOM 1135 C LEU A 78 -3.818 -1.586 -3.269 1.00 0.00 C ATOM 1136 O LEU A 78 -4.543 -0.933 -4.019 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.428 -1.062 -2.512 1.00 0.00 C ATOM 1138 CG LEU A 78 0.048 -0.911 -2.888 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.701 0.226 -2.100 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.797 -2.233 -2.713 1.00 0.00 C ATOM 0 H LEU A 78 -1.915 -0.177 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.087 -2.787 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.830 -0.073 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.490 -1.642 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 78 0.106 -0.646 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.749 0.312 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.187 1.162 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.632 0.015 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.843 -2.097 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.733 -2.553 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.349 -2.992 -3.354 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.236 -2.211 -2.178 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.632 -2.166 -1.778 1.00 0.00 C ATOM 1154 C VAL A 79 -5.764 -2.684 -0.344 1.00 0.00 C ATOM 1155 O VAL A 79 -5.417 -3.829 -0.060 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.488 -2.947 -2.777 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.673 -4.053 -3.451 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.735 -3.521 -2.100 1.00 0.00 C ATOM 0 H VAL A 79 -3.632 -2.751 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.999 -1.140 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.816 -2.253 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.305 -4.593 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.831 -3.611 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.302 -4.744 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.326 -4.071 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.436 -4.193 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.333 -2.708 -1.689 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.266 -1.815 0.521 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.448 -2.170 1.918 1.00 0.00 C ATOM 1170 C LEU A 80 -7.944 -2.218 2.237 1.00 0.00 C ATOM 1171 O LEU A 80 -8.714 -1.395 1.744 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.658 -1.220 2.819 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.139 -1.410 2.826 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.771 -2.890 2.695 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.475 -0.556 1.745 1.00 0.00 C ATOM 0 H LEU A 80 -6.552 -0.866 0.281 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.048 -3.165 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.875 -0.197 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.023 -1.332 3.840 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.756 -1.067 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.686 -2.997 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.197 -3.446 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.168 -3.282 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.396 -0.710 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.859 -0.845 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.696 0.496 1.925 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.320 -3.215 3.081 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.710 -3.381 3.472 1.00 0.00 C ATOM 1189 C PRO A 81 -10.124 -2.317 4.489 1.00 0.00 C ATOM 1190 O PRO A 81 -9.469 -2.146 5.516 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.797 -4.795 4.022 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.371 -5.204 4.350 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.435 -4.208 3.684 1.00 0.00 C ATOM 0 HA PRO A 81 -10.400 -3.249 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.427 -4.830 4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.239 -5.472 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.215 -5.212 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.172 -6.214 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.762 -3.751 4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.812 -4.692 2.932 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.209 -1.628 4.168 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.719 -0.584 5.042 1.00 0.00 C ATOM 1203 C LEU A 82 -13.227 -0.436 4.827 1.00 0.00 C ATOM 1204 O LEU A 82 -13.747 -0.812 3.777 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.938 0.715 4.836 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.490 1.950 5.551 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.227 1.875 7.057 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.934 3.235 4.936 1.00 0.00 C ATOM 0 H LEU A 82 -11.749 -1.772 3.315 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.571 -0.856 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.912 0.556 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.898 0.926 3.767 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.571 1.969 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.629 2.765 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.711 0.989 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.153 1.818 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.343 4.097 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.847 3.239 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.215 3.286 3.884 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.885 0.111 5.837 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.323 0.313 5.772 1.00 0.00 C ATOM 1222 C ALA A 83 -15.616 1.801 5.567 1.00 0.00 C ATOM 1223 O ALA A 83 -14.966 2.654 6.169 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.974 -0.239 7.041 1.00 0.00 C ATOM 0 H ALA A 83 -13.450 0.421 6.706 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.748 -0.227 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.052 -0.087 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.761 -1.305 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.574 0.281 7.911 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.594 2.067 4.714 1.00 0.00 N ATOM 1231 CA GLU A 84 -16.981 3.436 4.422 1.00 0.00 C ATOM 1232 C GLU A 84 -17.329 4.177 5.715 1.00 0.00 C ATOM 1233 O GLU A 84 -17.304 5.406 5.757 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.149 3.478 3.435 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.294 4.869 2.815 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.749 5.150 2.434 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.440 4.173 2.073 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.137 6.336 2.511 1.00 0.00 O ATOM 0 H GLU A 84 -17.130 1.357 4.215 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.135 3.939 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.992 2.740 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.072 3.206 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.947 5.624 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.661 4.945 1.931 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.647 3.398 6.738 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.000 3.964 8.029 1.00 0.00 C ATOM 1247 C GLU A 85 -16.737 4.302 8.824 1.00 0.00 C ATOM 1248 O GLU A 85 -16.814 4.926 9.881 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.905 3.014 8.816 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.080 1.972 9.574 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.900 0.707 9.835 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.935 0.551 9.152 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.473 -0.075 10.712 1.00 0.00 O ATOM 0 H GLU A 85 -17.668 2.379 6.699 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.557 4.886 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.512 3.584 9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.592 2.513 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.189 1.720 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.740 2.391 10.521 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.605 3.875 8.284 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.328 4.125 8.930 1.00 0.00 C ATOM 1262 C GLU A 86 -13.446 5.003 8.039 1.00 0.00 C ATOM 1263 O GLU A 86 -12.282 5.244 8.357 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.622 2.812 9.276 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.589 1.829 9.940 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.926 1.125 11.126 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.947 0.389 10.874 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.413 1.339 12.257 1.00 0.00 O ATOM 0 H GLU A 86 -15.546 3.358 7.407 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.513 4.657 9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.210 2.367 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.784 3.010 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.478 2.361 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.919 1.089 9.211 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.034 5.457 6.942 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.316 6.303 6.004 1.00 0.00 C ATOM 1277 C LEU A 87 -12.806 7.548 6.733 1.00 0.00 C ATOM 1278 O LEU A 87 -11.632 7.896 6.628 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.190 6.617 4.788 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.135 5.603 3.643 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.286 5.825 2.659 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.773 5.633 2.949 1.00 0.00 C ATOM 0 H LEU A 87 -14.999 5.255 6.682 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.442 5.782 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.224 6.703 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.898 7.592 4.398 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.259 4.605 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.224 5.092 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.237 5.713 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.218 6.829 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.761 4.903 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.593 6.628 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.992 5.389 3.669 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.740 8.202 7.475 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.398 9.400 8.222 1.00 0.00 C ATOM 1296 C PRO A 88 -12.593 9.054 9.476 1.00 0.00 C ATOM 1297 O PRO A 88 -12.055 9.941 10.137 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.730 10.063 8.535 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.784 8.982 8.360 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.141 7.818 7.623 1.00 0.00 C ATOM 0 HA PRO A 88 -12.754 10.076 7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.741 10.458 9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.916 10.902 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.163 8.658 9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.635 9.366 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.240 6.890 8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.611 7.655 6.653 1.00 0.00 H new ATOM 1308 N THR A 89 -12.535 7.763 9.765 1.00 0.00 N ATOM 1309 CA THR A 89 -11.805 7.289 10.929 1.00 0.00 C ATOM 1310 C THR A 89 -10.678 6.346 10.503 1.00 0.00 C ATOM 1311 O THR A 89 -10.258 5.485 11.275 1.00 0.00 O ATOM 1312 CB THR A 89 -12.808 6.643 11.886 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.118 5.394 11.273 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.146 7.384 11.919 1.00 0.00 C ATOM 0 H THR A 89 -12.981 7.030 9.214 1.00 0.00 H new ATOM 0 HA THR A 89 -11.318 8.112 11.453 1.00 0.00 H new ATOM 0 HB THR A 89 -12.384 6.613 12.890 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.762 4.908 11.829 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.822 6.885 12.613 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.985 8.412 12.245 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.586 7.385 10.922 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.219 6.539 9.275 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.149 5.717 8.737 1.00 0.00 C ATOM 1324 C ALA A 90 -8.256 6.574 7.837 1.00 0.00 C ATOM 1325 O ALA A 90 -8.709 7.570 7.275 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.748 4.521 7.994 1.00 0.00 C ATOM 0 H ALA A 90 -10.569 7.254 8.637 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.527 5.324 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.945 3.904 7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.349 3.928 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.377 4.877 7.178 1.00 0.00 H new ATOM 1332 N THR A 91 -7.004 6.155 7.729 1.00 0.00 N ATOM 1333 CA THR A 91 -6.044 6.872 6.907 1.00 0.00 C ATOM 1334 C THR A 91 -5.160 5.888 6.138 1.00 0.00 C ATOM 1335 O THR A 91 -4.990 4.744 6.556 1.00 0.00 O ATOM 1336 CB THR A 91 -5.254 7.815 7.817 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.255 8.612 8.444 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.415 8.824 7.028 1.00 0.00 C ATOM 0 H THR A 91 -6.632 5.328 8.197 1.00 0.00 H new ATOM 0 HA THR A 91 -6.544 7.473 6.147 1.00 0.00 H new ATOM 0 HB THR A 91 -4.603 7.231 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.830 9.251 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.875 9.469 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.703 8.291 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.069 9.431 6.403 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.620 6.369 5.028 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.758 5.546 4.197 1.00 0.00 C ATOM 1348 C LEU A 92 -2.329 6.090 4.257 1.00 0.00 C ATOM 1349 O LEU A 92 -2.054 7.179 3.757 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.319 5.447 2.777 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.450 4.701 1.763 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.750 5.679 0.817 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.456 3.776 2.468 1.00 0.00 C ATOM 0 H LEU A 92 -4.763 7.319 4.685 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.727 4.524 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.290 4.955 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.491 6.457 2.405 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.099 4.072 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.139 5.123 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.497 6.260 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.115 6.351 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.851 3.258 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.808 4.365 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.000 3.045 3.066 1.00 0.00 H new ATOM 1365 N THR A 93 -1.457 5.305 4.873 1.00 0.00 N ATOM 1366 CA THR A 93 -0.064 5.694 5.004 1.00 0.00 C ATOM 1367 C THR A 93 0.808 4.890 4.037 1.00 0.00 C ATOM 1368 O THR A 93 1.052 3.705 4.254 1.00 0.00 O ATOM 1369 CB THR A 93 0.339 5.522 6.470 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.200 6.673 7.115 1.00 0.00 O ATOM 1371 CG2 THR A 93 1.849 5.650 6.682 1.00 0.00 C ATOM 0 H THR A 93 -1.689 4.402 5.287 1.00 0.00 H new ATOM 0 HA THR A 93 0.081 6.739 4.732 1.00 0.00 H new ATOM 0 HB THR A 93 0.004 4.548 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.013 6.642 8.071 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.080 5.520 7.739 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.364 4.885 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.180 6.637 6.357 1.00 0.00 H new ATOM 1379 N LEU A 94 1.253 5.568 2.990 1.00 0.00 N ATOM 1380 CA LEU A 94 2.093 4.933 1.988 1.00 0.00 C ATOM 1381 C LEU A 94 3.525 4.836 2.516 1.00 0.00 C ATOM 1382 O LEU A 94 3.996 5.734 3.213 1.00 0.00 O ATOM 1383 CB LEU A 94 1.979 5.665 0.650 1.00 0.00 C ATOM 1384 CG LEU A 94 1.346 4.874 -0.496 1.00 0.00 C ATOM 1385 CD1 LEU A 94 -0.042 4.362 -0.108 1.00 0.00 C ATOM 1386 CD2 LEU A 94 1.313 5.702 -1.782 1.00 0.00 C ATOM 0 H LEU A 94 1.048 6.551 2.813 1.00 0.00 H new ATOM 0 HA LEU A 94 1.754 3.915 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.396 6.573 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.977 5.976 0.342 1.00 0.00 H new ATOM 0 HG LEU A 94 1.968 4.001 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.469 3.803 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.041 3.711 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.688 5.207 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.858 5.116 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.728 6.607 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.330 5.974 -2.066 1.00 0.00 H new ATOM 1398 N THR A 95 4.179 3.738 2.165 1.00 0.00 N ATOM 1399 CA THR A 95 5.548 3.513 2.595 1.00 0.00 C ATOM 1400 C THR A 95 6.354 2.844 1.479 1.00 0.00 C ATOM 1401 O THR A 95 5.814 2.055 0.706 1.00 0.00 O ATOM 1402 CB THR A 95 5.509 2.697 3.889 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.139 2.331 4.028 1.00 0.00 O ATOM 1404 CG2 THR A 95 5.795 3.549 5.127 1.00 0.00 C ATOM 0 H THR A 95 3.786 2.995 1.588 1.00 0.00 H new ATOM 0 HA THR A 95 6.057 4.454 2.802 1.00 0.00 H new ATOM 0 HB THR A 95 6.237 1.888 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.024 1.797 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.755 2.922 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.786 3.995 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.048 4.339 5.206 1.00 0.00 H new ATOM 1412 N LEU A 96 7.634 3.185 1.432 1.00 0.00 N ATOM 1413 CA LEU A 96 8.520 2.628 0.424 1.00 0.00 C ATOM 1414 C LEU A 96 9.749 2.026 1.108 1.00 0.00 C ATOM 1415 O LEU A 96 10.641 2.753 1.540 1.00 0.00 O ATOM 1416 CB LEU A 96 8.858 3.681 -0.633 1.00 0.00 C ATOM 1417 CG LEU A 96 8.470 3.337 -2.072 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.152 4.601 -2.872 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.552 2.490 -2.745 1.00 0.00 C ATOM 0 H LEU A 96 8.078 3.840 2.076 1.00 0.00 H new ATOM 0 HA LEU A 96 8.025 1.819 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.365 4.614 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.932 3.866 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 96 7.561 2.736 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.879 4.327 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.321 5.129 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.028 5.249 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.251 2.260 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.491 3.044 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.686 1.562 -2.189 1.00 0.00 H new ATOM 1431 N ARG A 97 9.755 0.703 1.184 1.00 0.00 N ATOM 1432 CA ARG A 97 10.860 -0.005 1.808 1.00 0.00 C ATOM 1433 C ARG A 97 11.820 -0.537 0.741 1.00 0.00 C ATOM 1434 O ARG A 97 11.386 -1.064 -0.282 1.00 0.00 O ATOM 1435 CB ARG A 97 10.356 -1.172 2.658 1.00 0.00 C ATOM 1436 CG ARG A 97 9.857 -0.684 4.020 1.00 0.00 C ATOM 1437 CD ARG A 97 8.327 -0.674 4.072 1.00 0.00 C ATOM 1438 NE ARG A 97 7.868 -0.121 5.365 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.987 -0.757 6.539 1.00 0.00 C ATOM 1440 NH1 ARG A 97 8.550 -1.971 6.589 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.542 -0.178 7.663 1.00 0.00 N ATOM 0 H ARG A 97 9.013 0.103 0.824 1.00 0.00 H new ATOM 0 HA ARG A 97 11.384 0.700 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.550 -1.686 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.158 -1.897 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.247 -1.330 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.238 0.319 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.931 -0.077 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.944 -1.686 3.944 1.00 0.00 H new ATOM 0 HE ARG A 97 7.434 0.802 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.888 -2.412 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.640 -2.455 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.113 0.747 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.633 -0.662 8.556 1.00 0.00 H new ATOM 1455 N THR A 98 13.106 -0.380 1.017 1.00 0.00 N ATOM 1456 CA THR A 98 14.130 -0.838 0.094 1.00 0.00 C ATOM 1457 C THR A 98 14.757 -2.140 0.596 1.00 0.00 C ATOM 1458 O THR A 98 15.184 -2.225 1.747 1.00 0.00 O ATOM 1459 CB THR A 98 15.144 0.294 -0.086 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.274 0.855 1.217 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.594 1.443 -0.933 1.00 0.00 C ATOM 0 H THR A 98 13.462 0.058 1.867 1.00 0.00 H new ATOM 0 HA THR A 98 13.706 -1.073 -0.882 1.00 0.00 H new ATOM 0 HB THR A 98 16.048 -0.100 -0.551 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.915 1.596 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.353 2.219 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.328 1.071 -1.922 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.709 1.859 -0.451 1.00 0.00 H new ATOM 1469 N CYS A 99 14.792 -3.123 -0.292 1.00 0.00 N ATOM 1470 CA CYS A 99 15.359 -4.417 0.047 1.00 0.00 C ATOM 1471 C CYS A 99 16.702 -4.186 0.743 1.00 0.00 C ATOM 1472 O CYS A 99 17.382 -3.197 0.475 1.00 0.00 O ATOM 1473 CB CYS A 99 15.502 -5.312 -1.186 1.00 0.00 C ATOM 1474 SG CYS A 99 16.476 -6.804 -0.767 1.00 0.00 S ATOM 0 H CYS A 99 14.437 -3.049 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 99 14.687 -4.946 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 99 14.517 -5.602 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.991 -4.762 -1.990 1.00 0.00 H new ATOM 0 HG CYS A 99 16.589 -7.558 -1.820 1.00 0.00 H new ATOM 1599 N VAL A 107 12.147 2.898 6.556 1.00 0.00 N ATOM 1600 CA VAL A 107 11.304 3.326 5.453 1.00 0.00 C ATOM 1601 C VAL A 107 12.086 4.298 4.566 1.00 0.00 C ATOM 1602 O VAL A 107 12.690 5.247 5.062 1.00 0.00 O ATOM 1603 CB VAL A 107 10.002 3.924 5.991 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.354 4.847 4.957 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.033 2.823 6.427 1.00 0.00 C ATOM 0 HA VAL A 107 11.024 2.474 4.834 1.00 0.00 H new ATOM 0 HB VAL A 107 10.246 4.523 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.431 5.259 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.038 5.660 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.131 4.281 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.116 3.274 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.799 2.186 5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.493 2.223 7.212 1.00 0.00 H new ATOM 1615 N ALA A 108 12.048 4.026 3.270 1.00 0.00 N ATOM 1616 CA ALA A 108 12.746 4.864 2.309 1.00 0.00 C ATOM 1617 C ALA A 108 12.024 6.208 2.193 1.00 0.00 C ATOM 1618 O ALA A 108 12.643 7.223 1.875 1.00 0.00 O ATOM 1619 CB ALA A 108 12.839 4.134 0.968 1.00 0.00 C ATOM 0 H ALA A 108 11.545 3.238 2.863 1.00 0.00 H new ATOM 0 HA ALA A 108 13.764 5.064 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.362 4.762 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.385 3.200 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.836 3.919 0.601 1.00 0.00 H new ATOM 1625 N GLY A 109 10.727 6.172 2.457 1.00 0.00 N ATOM 1626 CA GLY A 109 9.914 7.374 2.385 1.00 0.00 C ATOM 1627 C GLY A 109 8.470 7.086 2.799 1.00 0.00 C ATOM 1628 O GLY A 109 7.907 6.057 2.427 1.00 0.00 O ATOM 0 H GLY A 109 10.218 5.329 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.336 8.142 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.933 7.769 1.369 1.00 0.00 H new ATOM 1632 N GLU A 110 7.911 8.012 3.564 1.00 0.00 N ATOM 1633 CA GLU A 110 6.543 7.870 4.032 1.00 0.00 C ATOM 1634 C GLU A 110 5.624 8.844 3.291 1.00 0.00 C ATOM 1635 O GLU A 110 5.909 10.039 3.219 1.00 0.00 O ATOM 1636 CB GLU A 110 6.457 8.079 5.545 1.00 0.00 C ATOM 1637 CG GLU A 110 6.632 6.756 6.292 1.00 0.00 C ATOM 1638 CD GLU A 110 7.965 6.722 7.043 1.00 0.00 C ATOM 1639 OE1 GLU A 110 8.940 7.280 6.494 1.00 0.00 O ATOM 1640 OE2 GLU A 110 7.979 6.139 8.148 1.00 0.00 O ATOM 0 H GLU A 110 8.381 8.864 3.871 1.00 0.00 H new ATOM 0 HA GLU A 110 6.211 6.854 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.225 8.784 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.494 8.520 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.811 6.620 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.587 5.927 5.586 1.00 0.00 H new ATOM 1647 N LEU A 111 4.541 8.298 2.759 1.00 0.00 N ATOM 1648 CA LEU A 111 3.579 9.103 2.027 1.00 0.00 C ATOM 1649 C LEU A 111 2.215 9.011 2.713 1.00 0.00 C ATOM 1650 O LEU A 111 1.514 8.009 2.577 1.00 0.00 O ATOM 1651 CB LEU A 111 3.553 8.698 0.552 1.00 0.00 C ATOM 1652 CG LEU A 111 3.367 9.836 -0.454 1.00 0.00 C ATOM 1653 CD1 LEU A 111 2.302 10.823 0.027 1.00 0.00 C ATOM 1654 CD2 LEU A 111 4.699 10.529 -0.750 1.00 0.00 C ATOM 0 H LEU A 111 4.308 7.307 2.820 1.00 0.00 H new ATOM 0 HA LEU A 111 3.873 10.152 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.486 8.184 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.748 7.977 0.408 1.00 0.00 H new ATOM 0 HG LEU A 111 3.011 9.409 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.189 11.622 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.351 10.303 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.606 11.248 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.539 11.334 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.107 10.941 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.401 9.806 -1.166 1.00 0.00 H new ATOM 1666 N ARG A 112 1.879 10.069 3.436 1.00 0.00 N ATOM 1667 CA ARG A 112 0.611 10.120 4.144 1.00 0.00 C ATOM 1668 C ARG A 112 -0.506 10.573 3.202 1.00 0.00 C ATOM 1669 O ARG A 112 -0.262 11.329 2.262 1.00 0.00 O ATOM 1670 CB ARG A 112 0.683 11.078 5.335 1.00 0.00 C ATOM 1671 CG ARG A 112 0.154 10.412 6.607 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.376 10.408 6.627 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.867 10.986 7.898 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.967 12.301 8.136 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -1.610 13.182 7.192 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.423 12.735 9.319 1.00 0.00 N ATOM 0 H ARG A 112 2.463 10.898 3.547 1.00 0.00 H new ATOM 0 HA ARG A 112 0.397 9.116 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.714 11.396 5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.101 11.975 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.525 9.389 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.532 10.940 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.760 10.982 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.747 9.389 6.514 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.147 10.343 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.262 12.852 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.686 14.183 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.694 12.064 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.499 13.736 9.500 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.707 10.092 3.485 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.862 10.438 2.674 1.00 0.00 C ATOM 1692 C LEU A 113 -4.131 10.310 3.520 1.00 0.00 C ATOM 1693 O LEU A 113 -4.081 9.828 4.650 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.889 9.599 1.395 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.650 9.696 0.503 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.707 8.668 -0.629 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.465 11.120 -0.026 1.00 0.00 C ATOM 0 H LEU A 113 -1.906 9.465 4.265 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.800 11.476 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.032 8.555 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.759 9.895 0.808 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.775 9.461 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.814 8.759 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.756 7.664 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.592 8.848 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.577 11.161 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.339 11.408 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.347 11.807 0.812 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.237 10.751 2.940 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.516 10.693 3.627 1.00 0.00 C ATOM 1711 C GLY A 114 -7.573 10.006 2.759 1.00 0.00 C ATOM 1712 O GLY A 114 -7.559 10.137 1.536 1.00 0.00 O ATOM 0 H GLY A 114 -5.274 11.150 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.404 10.152 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.845 11.702 3.877 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.465 9.288 3.426 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.527 8.580 2.732 1.00 0.00 C ATOM 1718 C LEU A 115 -10.828 9.376 2.853 1.00 0.00 C ATOM 1719 O LEU A 115 -11.632 9.404 1.922 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.636 7.142 3.242 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.320 6.370 3.357 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -8.536 5.016 4.036 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -7.649 6.224 1.989 1.00 0.00 C ATOM 0 H LEU A 115 -8.474 9.181 4.440 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.299 8.499 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.110 7.160 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.301 6.591 2.577 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.642 6.943 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.585 4.488 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.939 5.171 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.239 4.423 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.716 5.672 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.313 5.684 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.440 7.212 1.579 1.00 0.00 H new ATOM 1735 N ASP A 116 -10.995 10.004 4.007 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.185 10.798 4.262 1.00 0.00 C ATOM 1737 C ASP A 116 -12.548 11.584 3.001 1.00 0.00 C ATOM 1738 O ASP A 116 -13.723 11.833 2.737 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.946 11.801 5.392 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.570 12.468 5.384 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -10.231 13.059 4.336 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -9.887 12.372 6.427 1.00 0.00 O ATOM 0 H ASP A 116 -10.326 9.979 4.776 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.989 10.119 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.710 12.577 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.080 11.290 6.345 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.517 11.953 2.255 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.713 12.705 1.027 1.00 0.00 C ATOM 1749 C GLY A 117 -11.299 14.167 1.209 1.00 0.00 C ATOM 1750 O GLY A 117 -11.859 15.058 0.572 1.00 0.00 O ATOM 0 H GLY A 117 -10.543 11.745 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.130 12.255 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.760 12.654 0.728 1.00 0.00 H new ATOM 1754 N THR A 118 -10.322 14.369 2.081 1.00 0.00 N ATOM 1755 CA THR A 118 -9.827 15.707 2.355 1.00 0.00 C ATOM 1756 C THR A 118 -8.458 15.912 1.704 1.00 0.00 C ATOM 1757 O THR A 118 -8.360 16.497 0.626 1.00 0.00 O ATOM 1758 CB THR A 118 -9.816 15.906 3.872 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.188 16.089 4.208 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.152 17.221 4.285 1.00 0.00 C ATOM 0 H THR A 118 -9.860 13.628 2.607 1.00 0.00 H new ATOM 0 HA THR A 118 -10.476 16.466 1.919 1.00 0.00 H new ATOM 0 HB THR A 118 -9.295 15.073 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.273 16.223 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.171 17.313 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.119 17.232 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.693 18.057 3.841 1.00 0.00 H new ATOM 1768 N SER A 119 -7.434 15.420 2.387 1.00 0.00 N ATOM 1769 CA SER A 119 -6.075 15.542 1.889 1.00 0.00 C ATOM 1770 C SER A 119 -6.047 15.304 0.378 1.00 0.00 C ATOM 1771 O SER A 119 -5.826 16.233 -0.397 1.00 0.00 O ATOM 1772 CB SER A 119 -5.138 14.562 2.598 1.00 0.00 C ATOM 1773 OG SER A 119 -4.661 15.081 3.836 1.00 0.00 O ATOM 0 H SER A 119 -7.519 14.936 3.281 1.00 0.00 H new ATOM 0 HA SER A 119 -5.725 16.553 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.663 13.623 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.292 14.336 1.949 1.00 0.00 H new ATOM 0 HG SER A 119 -4.068 14.425 4.259 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.276 14.053 0.004 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.280 13.681 -1.400 1.00 0.00 C ATOM 1781 C VAL A 120 -7.647 13.099 -1.765 1.00 0.00 C ATOM 1782 O VAL A 120 -8.235 12.351 -0.985 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.125 12.721 -1.691 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -3.863 13.487 -2.094 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -4.853 11.811 -0.491 1.00 0.00 C ATOM 0 H VAL A 120 -6.460 13.285 0.649 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.122 14.558 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.417 12.091 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.057 12.781 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.064 14.073 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.567 14.153 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.028 11.138 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.592 12.419 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.745 11.226 -0.268 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.126 13.474 -2.981 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.412 12.997 -3.459 1.00 0.00 C ATOM 1797 C PRO A 121 -9.325 11.536 -3.905 1.00 0.00 C ATOM 1798 O PRO A 121 -8.235 10.969 -3.975 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.787 13.941 -4.589 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.495 14.622 -5.010 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.457 14.358 -3.931 1.00 0.00 C ATOM 0 HA PRO A 121 -10.177 13.003 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.231 13.396 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.524 14.673 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.155 14.235 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.651 15.693 -5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.564 13.890 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.138 15.284 -3.453 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.486 10.969 -4.196 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.554 9.585 -4.633 1.00 0.00 C ATOM 1811 C LEU A 122 -10.604 9.539 -6.162 1.00 0.00 C ATOM 1812 O LEU A 122 -11.027 10.501 -6.802 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.725 8.867 -3.959 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.542 8.530 -2.477 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.867 8.104 -1.844 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.449 7.477 -2.285 1.00 0.00 C ATOM 0 H LEU A 122 -11.387 11.443 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.659 9.045 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.615 9.488 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.918 7.941 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.214 9.432 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.709 7.870 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.589 8.916 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.249 7.222 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.339 7.256 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.723 6.567 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.505 7.857 -2.676 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.165 8.413 -6.703 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.154 8.229 -8.145 1.00 0.00 C ATOM 1830 C GLY A 123 -9.374 9.351 -8.834 1.00 0.00 C ATOM 1831 O GLY A 123 -9.548 9.590 -10.028 1.00 0.00 O ATOM 0 H GLY A 123 -9.814 7.618 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.705 7.266 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.177 8.208 -8.521 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.530 10.008 -8.052 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.722 11.098 -8.572 1.00 0.00 C ATOM 1837 C ALA A 124 -6.253 10.848 -8.226 1.00 0.00 C ATOM 1838 O ALA A 124 -5.829 11.081 -7.095 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.235 12.426 -8.012 1.00 0.00 C ATOM 0 H ALA A 124 -8.388 9.806 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.801 11.150 -9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.629 13.244 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.273 12.570 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.169 12.412 -6.924 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.516 10.378 -9.222 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.103 10.094 -9.038 1.00 0.00 C ATOM 1847 C ALA A 125 -3.353 11.403 -8.781 1.00 0.00 C ATOM 1848 O ALA A 125 -3.533 12.379 -9.508 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.568 9.347 -10.261 1.00 0.00 C ATOM 0 H ALA A 125 -5.871 10.187 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.951 9.451 -8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.508 9.134 -10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.113 8.411 -10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.701 9.963 -11.150 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.528 11.382 -7.744 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.751 12.555 -7.382 1.00 0.00 C ATOM 1857 C GLN A 126 -0.274 12.185 -7.225 1.00 0.00 C ATOM 1858 O GLN A 126 0.057 11.025 -6.984 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.293 13.199 -6.105 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.816 13.331 -6.162 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.237 14.801 -6.226 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.424 15.709 -6.184 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.551 14.983 -6.329 1.00 0.00 N ATOM 0 H GLN A 126 -2.381 10.571 -7.143 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.839 13.287 -8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.008 12.598 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.844 14.183 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.198 12.801 -7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.259 12.860 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.177 14.178 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -5.933 15.928 -6.378 1.00 0.00 H new ATOM 1872 N TRP A 127 0.573 13.193 -7.369 1.00 0.00 N ATOM 1873 CA TRP A 127 2.007 12.989 -7.246 1.00 0.00 C ATOM 1874 C TRP A 127 2.455 13.575 -5.906 1.00 0.00 C ATOM 1875 O TRP A 127 2.817 14.748 -5.826 1.00 0.00 O ATOM 1876 CB TRP A 127 2.750 13.591 -8.440 1.00 0.00 C ATOM 1877 CG TRP A 127 2.854 12.655 -9.646 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.113 12.662 -10.762 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.787 11.566 -9.811 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.499 11.662 -11.632 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.549 10.974 -11.035 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.799 11.097 -8.955 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.281 9.881 -11.513 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.522 10.004 -9.447 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.294 9.397 -10.677 1.00 0.00 C ATOM 0 H TRP A 127 0.294 14.153 -7.570 1.00 0.00 H new ATOM 0 HA TRP A 127 2.248 11.926 -7.259 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.243 14.506 -8.746 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.754 13.873 -8.125 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.314 13.362 -10.957 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.089 11.464 -12.545 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.003 11.545 -7.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.075 9.435 -12.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.312 9.604 -8.828 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.896 8.555 -10.986 1.00 0.00 H new ATOM 1896 N GLY A 128 2.416 12.730 -4.885 1.00 0.00 N ATOM 1897 CA GLY A 128 2.814 13.150 -3.552 1.00 0.00 C ATOM 1898 C GLY A 128 4.318 12.959 -3.343 1.00 0.00 C ATOM 1899 O GLY A 128 4.954 12.184 -4.056 1.00 0.00 O ATOM 0 H GLY A 128 2.115 11.758 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.553 14.198 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.264 12.576 -2.806 1.00 0.00 H new ATOM 1903 N GLU A 129 4.842 13.678 -2.362 1.00 0.00 N ATOM 1904 CA GLU A 129 6.259 13.598 -2.050 1.00 0.00 C ATOM 1905 C GLU A 129 6.472 12.833 -0.742 1.00 0.00 C ATOM 1906 O GLU A 129 5.872 13.165 0.280 1.00 0.00 O ATOM 1907 CB GLU A 129 6.885 14.992 -1.978 1.00 0.00 C ATOM 1908 CG GLU A 129 7.760 15.264 -3.203 1.00 0.00 C ATOM 1909 CD GLU A 129 7.416 16.615 -3.834 1.00 0.00 C ATOM 1910 OE1 GLU A 129 6.439 16.646 -4.613 1.00 0.00 O ATOM 1911 OE2 GLU A 129 8.137 17.587 -3.522 1.00 0.00 O ATOM 0 H GLU A 129 4.311 14.319 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 129 6.757 13.054 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.099 15.745 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.485 15.079 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.811 15.251 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.621 14.470 -3.937 1.00 0.00 H new ATOM 1918 N LEU A 130 7.328 11.824 -0.816 1.00 0.00 N ATOM 1919 CA LEU A 130 7.627 11.010 0.349 1.00 0.00 C ATOM 1920 C LEU A 130 8.200 11.900 1.454 1.00 0.00 C ATOM 1921 O LEU A 130 9.095 12.706 1.205 1.00 0.00 O ATOM 1922 CB LEU A 130 8.538 9.841 -0.033 1.00 0.00 C ATOM 1923 CG LEU A 130 7.929 8.795 -0.970 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.019 7.943 -1.621 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.893 7.940 -0.237 1.00 0.00 C ATOM 0 H LEU A 130 7.824 11.552 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 130 6.716 10.559 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.435 10.244 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.856 9.340 0.881 1.00 0.00 H new ATOM 0 HG LEU A 130 7.406 9.316 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.560 7.208 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.685 8.584 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.590 7.429 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.476 7.205 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.370 7.426 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.094 8.579 0.139 1.00 0.00 H new ATOM 1937 N LYS A 131 7.661 11.723 2.652 1.00 0.00 N ATOM 1938 CA LYS A 131 8.108 12.499 3.796 1.00 0.00 C ATOM 1939 C LYS A 131 9.083 11.662 4.626 1.00 0.00 C ATOM 1940 O LYS A 131 8.812 11.356 5.786 1.00 0.00 O ATOM 1941 CB LYS A 131 6.909 13.017 4.593 1.00 0.00 C ATOM 1942 CG LYS A 131 6.092 14.015 3.770 1.00 0.00 C ATOM 1943 CD LYS A 131 6.839 15.342 3.620 1.00 0.00 C ATOM 1944 CE LYS A 131 6.929 15.758 2.150 1.00 0.00 C ATOM 1945 NZ LYS A 131 7.660 17.038 2.017 1.00 0.00 N ATOM 0 H LYS A 131 6.919 11.053 2.855 1.00 0.00 H new ATOM 0 HA LYS A 131 8.650 13.386 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.276 12.180 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.256 13.494 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.885 13.597 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.130 14.188 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.328 16.118 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.842 15.248 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.436 14.982 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.927 15.860 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.712 17.306 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.160 17.780 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.622 16.929 2.396 1.00 0.00 H new