USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 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 63 ASN : amide:sc= -0.0442 K(o=-0.044,f=-3.4!) USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0 X(o=-0.044,f=-0.051) USER MOD Set 2.1: A 74 GLN : amide:sc= 0.509 K(o=2.3,f=0.99) USER MOD Set 2.2: A 78 THR OG1 : rot 58:sc= 1.8 USER MOD Set 3.1: A 33 HIS :FLIP no HD1:sc= 0.645 F(o=-0.87,f=1.7) USER MOD Set 3.2: A 37 TYR OH : rot -69:sc= 1.03 USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= -1 (180deg=-2.72!) USER MOD Single : A 22 CYS SG : rot -12:sc= -0.0635 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.259 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 SER OG : rot 82:sc= 1.3 USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.0957 F(o=-1.6,f=-0.096) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 72 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.29) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 79:sc= 0.0116 USER MOD Single : A 81 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 82 THR OG1 : rot 4:sc= 0.574 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -4.443 -5.607 -11.049 1.00 53.25 N ATOM 80 CA ILE A 7 -3.280 -4.809 -10.735 1.00 75.03 C ATOM 81 C ILE A 7 -3.571 -3.463 -11.327 1.00 12.24 C ATOM 82 O ILE A 7 -4.002 -3.364 -12.485 1.00 72.44 O ATOM 83 CB ILE A 7 -1.958 -5.374 -11.327 1.00 71.14 C ATOM 84 CG1 ILE A 7 -1.492 -6.657 -10.577 1.00 33.20 C ATOM 85 CG2 ILE A 7 -0.863 -4.282 -11.297 1.00 71.13 C ATOM 86 CD1 ILE A 7 -2.373 -7.879 -10.786 1.00 0.01 C ATOM 0 HA ILE A 7 -3.119 -4.790 -9.657 1.00 75.03 H new ATOM 0 HB ILE A 7 -2.142 -5.662 -12.362 1.00 71.14 H new ATOM 0 HG12 ILE A 7 -0.479 -6.899 -10.897 1.00 33.20 H new ATOM 0 HG13 ILE A 7 -1.446 -6.439 -9.510 1.00 33.20 H new ATOM 0 HG21 ILE A 7 0.062 -4.682 -11.713 1.00 71.13 H new ATOM 0 HG22 ILE A 7 -1.186 -3.426 -11.889 1.00 71.13 H new ATOM 0 HG23 ILE A 7 -0.691 -3.967 -10.268 1.00 71.13 H new ATOM 0 HD11 ILE A 7 -1.967 -8.720 -10.224 1.00 0.01 H new ATOM 0 HD12 ILE A 7 -3.383 -7.663 -10.437 1.00 0.01 H new ATOM 0 HD13 ILE A 7 -2.401 -8.130 -11.846 1.00 0.01 H new ATOM 98 N PHE A 8 -3.384 -2.406 -10.523 1.00 63.24 N ATOM 99 CA PHE A 8 -3.666 -1.068 -10.961 1.00 51.33 C ATOM 100 C PHE A 8 -2.547 -0.203 -10.448 1.00 63.01 C ATOM 101 O PHE A 8 -1.935 -0.509 -9.421 1.00 41.13 O ATOM 102 CB PHE A 8 -5.065 -0.498 -10.491 1.00 62.13 C ATOM 103 CG PHE A 8 -5.187 -0.488 -8.969 1.00 71.30 C ATOM 104 CD1 PHE A 8 -5.160 -1.696 -8.201 1.00 25.25 C ATOM 105 CD2 PHE A 8 -5.368 0.737 -8.285 1.00 74.22 C ATOM 106 CE1 PHE A 8 -5.257 -1.647 -6.798 1.00 55.23 C ATOM 107 CE2 PHE A 8 -5.477 0.768 -6.881 1.00 62.02 C ATOM 108 CZ PHE A 8 -5.398 -0.415 -6.142 1.00 2.52 C ATOM 0 H PHE A 8 -3.037 -2.472 -9.566 1.00 63.24 H new ATOM 0 HA PHE A 8 -3.730 -1.072 -12.049 1.00 51.33 H new ATOM 0 HB2 PHE A 8 -5.192 0.515 -10.873 1.00 62.13 H new ATOM 0 HB3 PHE A 8 -5.866 -1.102 -10.917 1.00 62.13 H new ATOM 0 HD1 PHE A 8 -5.065 -2.649 -8.701 1.00 25.25 H new ATOM 0 HD2 PHE A 8 -5.423 1.659 -8.845 1.00 74.22 H new ATOM 0 HE1 PHE A 8 -5.223 -2.561 -6.224 1.00 55.23 H new ATOM 0 HE2 PHE A 8 -5.622 1.710 -6.374 1.00 62.02 H new ATOM 0 HZ PHE A 8 -5.446 -0.381 -5.064 1.00 2.52 H new ATOM 118 N GLU A 9 -2.215 0.870 -11.193 1.00 21.44 N ATOM 119 CA GLU A 9 -1.117 1.728 -10.819 1.00 65.44 C ATOM 120 C GLU A 9 -1.725 2.966 -10.219 1.00 1.20 C ATOM 121 O GLU A 9 -2.768 3.444 -10.695 1.00 21.32 O ATOM 122 CB GLU A 9 -0.263 2.160 -12.029 1.00 12.34 C ATOM 123 CG GLU A 9 0.301 0.962 -12.808 1.00 50.51 C ATOM 124 CD GLU A 9 1.189 1.450 -13.934 1.00 24.12 C ATOM 125 OE1 GLU A 9 1.253 2.681 -14.180 1.00 44.44 O ATOM 126 OE2 GLU A 9 1.820 0.593 -14.595 1.00 51.05 O ATOM 0 H GLU A 9 -2.699 1.146 -12.048 1.00 21.44 H new ATOM 0 HA GLU A 9 -0.466 1.187 -10.133 1.00 65.44 H new ATOM 0 HB2 GLU A 9 -0.869 2.771 -12.698 1.00 12.34 H new ATOM 0 HB3 GLU A 9 0.560 2.785 -11.684 1.00 12.34 H new ATOM 0 HG2 GLU A 9 0.870 0.317 -12.138 1.00 50.51 H new ATOM 0 HG3 GLU A 9 -0.515 0.362 -13.211 1.00 50.51 H new ATOM 133 N VAL A 10 -1.121 3.485 -9.137 1.00 10.42 N ATOM 134 CA VAL A 10 -1.637 4.670 -8.504 1.00 31.22 C ATOM 135 C VAL A 10 -0.483 5.536 -8.209 1.00 12.04 C ATOM 136 O VAL A 10 0.526 5.096 -7.682 1.00 71.41 O ATOM 137 CB VAL A 10 -2.352 4.362 -7.174 1.00 1.11 C ATOM 138 CG1 VAL A 10 -2.904 5.657 -6.543 1.00 22.25 C ATOM 139 CG2 VAL A 10 -3.453 3.329 -7.436 1.00 32.41 C ATOM 0 H VAL A 10 -0.286 3.095 -8.700 1.00 10.42 H new ATOM 0 HA VAL A 10 -2.363 5.136 -9.171 1.00 31.22 H new ATOM 0 HB VAL A 10 -1.648 3.942 -6.456 1.00 1.11 H new ATOM 0 HG11 VAL A 10 -3.405 5.420 -5.605 1.00 22.25 H new ATOM 0 HG12 VAL A 10 -2.082 6.347 -6.351 1.00 22.25 H new ATOM 0 HG13 VAL A 10 -3.615 6.121 -7.227 1.00 22.25 H new ATOM 0 HG21 VAL A 10 -3.968 3.101 -6.503 1.00 32.41 H new ATOM 0 HG22 VAL A 10 -4.166 3.732 -8.155 1.00 32.41 H new ATOM 0 HG23 VAL A 10 -3.009 2.418 -7.837 1.00 32.41 H new ATOM 149 N GLU A 11 -0.633 6.821 -8.507 1.00 34.34 N ATOM 150 CA GLU A 11 0.286 7.784 -8.047 1.00 63.21 C ATOM 151 C GLU A 11 -0.440 8.504 -6.954 1.00 4.14 C ATOM 152 O GLU A 11 -1.474 9.132 -7.174 1.00 65.14 O ATOM 153 CB GLU A 11 0.769 8.784 -9.116 1.00 65.24 C ATOM 154 CG GLU A 11 -0.336 9.391 -9.990 1.00 42.12 C ATOM 155 CD GLU A 11 -0.715 8.409 -11.049 1.00 5.03 C ATOM 156 OE1 GLU A 11 0.167 8.015 -11.840 1.00 50.13 O ATOM 157 OE2 GLU A 11 -1.899 8.020 -11.099 1.00 43.35 O ATOM 0 H GLU A 11 -1.397 7.195 -9.071 1.00 34.34 H new ATOM 0 HA GLU A 11 1.202 7.288 -7.725 1.00 63.21 H new ATOM 0 HB2 GLU A 11 1.302 9.594 -8.618 1.00 65.24 H new ATOM 0 HB3 GLU A 11 1.487 8.280 -9.764 1.00 65.24 H new ATOM 0 HG2 GLU A 11 -1.204 9.640 -9.380 1.00 42.12 H new ATOM 0 HG3 GLU A 11 0.011 10.319 -10.444 1.00 42.12 H new ATOM 164 N LEU A 12 0.040 8.328 -5.731 1.00 72.14 N ATOM 165 CA LEU A 12 -0.654 8.804 -4.580 1.00 23.02 C ATOM 166 C LEU A 12 0.109 9.980 -4.080 1.00 1.40 C ATOM 167 O LEU A 12 1.330 9.859 -3.817 1.00 24.42 O ATOM 168 CB LEU A 12 -0.684 7.725 -3.460 1.00 5.15 C ATOM 169 CG LEU A 12 -1.900 7.790 -2.531 1.00 21.20 C ATOM 170 CD1 LEU A 12 -1.939 9.035 -1.649 1.00 13.20 C ATOM 171 CD2 LEU A 12 -3.202 7.573 -3.304 1.00 74.32 C ATOM 0 H LEU A 12 0.918 7.852 -5.527 1.00 72.14 H new ATOM 0 HA LEU A 12 -1.683 9.053 -4.841 1.00 23.02 H new ATOM 0 HB2 LEU A 12 -0.653 6.740 -3.925 1.00 5.15 H new ATOM 0 HB3 LEU A 12 0.220 7.822 -2.858 1.00 5.15 H new ATOM 0 HG LEU A 12 -1.791 6.962 -1.831 1.00 21.20 H new ATOM 0 HD11 LEU A 12 -2.829 9.008 -1.020 1.00 13.20 H new ATOM 0 HD12 LEU A 12 -1.050 9.062 -1.019 1.00 13.20 H new ATOM 0 HD13 LEU A 12 -1.966 9.925 -2.277 1.00 13.20 H new ATOM 0 HD21 LEU A 12 -4.046 7.625 -2.617 1.00 74.32 H new ATOM 0 HD22 LEU A 12 -3.306 8.346 -4.066 1.00 74.32 H new ATOM 0 HD23 LEU A 12 -3.183 6.593 -3.781 1.00 74.32 H new ATOM 183 N ALA A 13 -0.575 11.133 -3.932 1.00 44.32 N ATOM 184 CA ALA A 13 0.061 12.342 -3.477 1.00 72.11 C ATOM 185 C ALA A 13 -0.138 12.408 -1.993 1.00 24.44 C ATOM 186 O ALA A 13 -1.223 12.173 -1.490 1.00 60.43 O ATOM 187 CB ALA A 13 -0.526 13.629 -4.082 1.00 73.34 C ATOM 0 H ALA A 13 -1.571 11.231 -4.127 1.00 44.32 H new ATOM 0 HA ALA A 13 1.106 12.297 -3.784 1.00 72.11 H new ATOM 0 HB1 ALA A 13 0.009 14.493 -3.688 1.00 73.34 H new ATOM 0 HB2 ALA A 13 -0.422 13.602 -5.167 1.00 73.34 H new ATOM 0 HB3 ALA A 13 -1.581 13.705 -3.821 1.00 73.34 H new ATOM 193 N LYS A 14 0.946 12.719 -1.278 1.00 52.34 N ATOM 194 CA LYS A 14 0.972 12.777 0.179 1.00 24.53 C ATOM 195 C LYS A 14 0.958 14.218 0.531 1.00 60.43 C ATOM 196 O LYS A 14 1.643 14.645 1.453 1.00 50.40 O ATOM 197 CB LYS A 14 2.217 12.124 0.840 1.00 3.22 C ATOM 198 CG LYS A 14 2.223 10.586 0.785 1.00 31.23 C ATOM 199 CD LYS A 14 2.257 10.022 -0.619 1.00 31.41 C ATOM 200 CE LYS A 14 2.405 8.508 -0.687 1.00 53.33 C ATOM 201 NZ LYS A 14 2.730 8.123 -2.068 1.00 42.23 N ATOM 0 H LYS A 14 1.845 12.941 -1.707 1.00 52.34 H new ATOM 0 HA LYS A 14 0.117 12.212 0.550 1.00 24.53 H new ATOM 0 HB2 LYS A 14 3.115 12.498 0.348 1.00 3.22 H new ATOM 0 HB3 LYS A 14 2.270 12.440 1.882 1.00 3.22 H new ATOM 0 HG2 LYS A 14 3.088 10.216 1.336 1.00 31.23 H new ATOM 0 HG3 LYS A 14 1.336 10.211 1.295 1.00 31.23 H new ATOM 0 HD2 LYS A 14 1.340 10.308 -1.134 1.00 31.41 H new ATOM 0 HD3 LYS A 14 3.084 10.480 -1.161 1.00 31.41 H new ATOM 0 HE2 LYS A 14 3.190 8.175 -0.008 1.00 53.33 H new ATOM 0 HE3 LYS A 14 1.482 8.024 -0.368 1.00 53.33 H new ATOM 0 HZ1 LYS A 14 2.092 7.362 -2.376 1.00 42.23 H new ATOM 0 HZ2 LYS A 14 2.615 8.946 -2.694 1.00 42.23 H new ATOM 0 HZ3 LYS A 14 3.714 7.789 -2.113 1.00 42.23 H new ATOM 285 N GLY A 20 -0.545 8.603 6.204 1.00 31.31 N ATOM 286 CA GLY A 20 -1.691 8.026 6.818 1.00 52.41 C ATOM 287 C GLY A 20 -2.000 6.734 6.170 1.00 44.04 C ATOM 288 O GLY A 20 -3.174 6.404 5.959 1.00 32.24 O ATOM 0 HA2 GLY A 20 -1.510 7.877 7.882 1.00 52.41 H new ATOM 0 HA3 GLY A 20 -2.542 8.701 6.731 1.00 52.41 H new ATOM 292 N ILE A 21 -0.967 5.969 5.837 1.00 31.12 N ATOM 293 CA ILE A 21 -1.159 4.663 5.297 1.00 43.21 C ATOM 294 C ILE A 21 -0.295 3.799 6.156 1.00 35.32 C ATOM 295 O ILE A 21 0.783 4.231 6.572 1.00 53.40 O ATOM 296 CB ILE A 21 -0.676 4.545 3.835 1.00 21.15 C ATOM 297 CG1 ILE A 21 -1.203 5.736 2.989 1.00 43.41 C ATOM 298 CG2 ILE A 21 -1.107 3.166 3.266 1.00 21.00 C ATOM 299 CD1 ILE A 21 -0.754 5.696 1.522 1.00 75.02 C ATOM 0 H ILE A 21 0.009 6.248 5.939 1.00 31.12 H new ATOM 0 HA ILE A 21 -2.215 4.394 5.290 1.00 43.21 H new ATOM 0 HB ILE A 21 0.412 4.597 3.793 1.00 21.15 H new ATOM 0 HG12 ILE A 21 -2.292 5.743 3.026 1.00 43.41 H new ATOM 0 HG13 ILE A 21 -0.863 6.669 3.439 1.00 43.41 H new ATOM 0 HG21 ILE A 21 -0.769 3.077 2.234 1.00 21.00 H new ATOM 0 HG22 ILE A 21 -0.662 2.371 3.864 1.00 21.00 H new ATOM 0 HG23 ILE A 21 -2.193 3.082 3.301 1.00 21.00 H new ATOM 0 HD11 ILE A 21 -1.160 6.559 0.994 1.00 75.02 H new ATOM 0 HD12 ILE A 21 0.335 5.720 1.474 1.00 75.02 H new ATOM 0 HD13 ILE A 21 -1.117 4.781 1.055 1.00 75.02 H new ATOM 311 N CYS A 22 -0.714 2.557 6.417 1.00 31.04 N ATOM 312 CA CYS A 22 0.195 1.622 7.047 1.00 35.21 C ATOM 313 C CYS A 22 -0.143 0.341 6.400 1.00 62.54 C ATOM 314 O CYS A 22 -1.148 0.237 5.677 1.00 63.35 O ATOM 315 CB CYS A 22 -0.027 1.405 8.588 1.00 13.10 C ATOM 316 SG CYS A 22 -0.209 2.956 9.550 1.00 63.21 S ATOM 0 H CYS A 22 -1.644 2.194 6.207 1.00 31.04 H new ATOM 0 HA CYS A 22 1.215 1.991 6.938 1.00 35.21 H new ATOM 0 HB2 CYS A 22 -0.919 0.795 8.732 1.00 13.10 H new ATOM 0 HB3 CYS A 22 0.814 0.839 8.988 1.00 13.10 H new ATOM 0 HG CYS A 22 0.133 3.968 8.810 1.00 63.21 H new ATOM 321 N VAL A 23 0.744 -0.623 6.517 1.00 55.21 N ATOM 322 CA VAL A 23 0.668 -1.792 5.728 1.00 33.10 C ATOM 323 C VAL A 23 1.059 -2.902 6.650 1.00 24.44 C ATOM 324 O VAL A 23 1.507 -2.652 7.775 1.00 12.01 O ATOM 325 CB VAL A 23 1.629 -1.749 4.527 1.00 34.34 C ATOM 326 CG1 VAL A 23 0.927 -1.035 3.353 1.00 71.41 C ATOM 327 CG2 VAL A 23 2.922 -1.042 4.940 1.00 2.43 C ATOM 0 H VAL A 23 1.530 -0.601 7.166 1.00 55.21 H new ATOM 0 HA VAL A 23 -0.331 -1.912 5.308 1.00 33.10 H new ATOM 0 HB VAL A 23 1.892 -2.756 4.202 1.00 34.34 H new ATOM 0 HG11 VAL A 23 1.599 -0.998 2.495 1.00 71.41 H new ATOM 0 HG12 VAL A 23 0.023 -1.581 3.083 1.00 71.41 H new ATOM 0 HG13 VAL A 23 0.662 -0.020 3.650 1.00 71.41 H new ATOM 0 HG21 VAL A 23 3.606 -1.009 4.092 1.00 2.43 H new ATOM 0 HG22 VAL A 23 2.694 -0.026 5.262 1.00 2.43 H new ATOM 0 HG23 VAL A 23 3.388 -1.587 5.761 1.00 2.43 H new ATOM 337 N THR A 24 0.832 -4.127 6.218 1.00 33.33 N ATOM 338 CA THR A 24 1.105 -5.272 7.016 1.00 1.21 C ATOM 339 C THR A 24 1.541 -6.306 6.039 1.00 71.12 C ATOM 340 O THR A 24 1.346 -6.128 4.842 1.00 64.30 O ATOM 341 CB THR A 24 -0.134 -5.747 7.794 1.00 0.32 C ATOM 342 OG1 THR A 24 0.181 -6.758 8.749 1.00 53.15 O ATOM 343 CG2 THR A 24 -1.234 -6.242 6.812 1.00 54.55 C ATOM 0 H THR A 24 0.451 -4.341 5.296 1.00 33.33 H new ATOM 0 HA THR A 24 1.857 -5.060 7.776 1.00 1.21 H new ATOM 0 HB THR A 24 -0.514 -4.891 8.351 1.00 0.32 H new ATOM 0 HG1 THR A 24 -0.635 -7.028 9.220 1.00 53.15 H new ATOM 0 HG21 THR A 24 -2.104 -6.575 7.378 1.00 54.55 H new ATOM 0 HG22 THR A 24 -1.523 -5.427 6.148 1.00 54.55 H new ATOM 0 HG23 THR A 24 -0.847 -7.072 6.220 1.00 54.55 H new ATOM 351 N GLY A 25 2.139 -7.410 6.515 1.00 25.21 N ATOM 352 CA GLY A 25 2.553 -8.463 5.620 1.00 3.44 C ATOM 353 C GLY A 25 3.932 -8.162 5.137 1.00 42.13 C ATOM 354 O GLY A 25 4.219 -7.066 4.742 1.00 41.24 O ATOM 0 H GLY A 25 2.337 -7.581 7.501 1.00 25.21 H new ATOM 0 HA2 GLY A 25 2.533 -9.425 6.133 1.00 3.44 H new ATOM 0 HA3 GLY A 25 1.865 -8.536 4.778 1.00 3.44 H new ATOM 358 N GLY A 26 4.812 -9.156 5.199 1.00 4.51 N ATOM 359 CA GLY A 26 6.077 -9.095 4.537 1.00 60.00 C ATOM 360 C GLY A 26 6.595 -10.500 4.421 1.00 23.21 C ATOM 361 O GLY A 26 6.218 -11.247 3.519 1.00 64.51 O ATOM 0 H GLY A 26 4.652 -10.021 5.715 1.00 4.51 H new ATOM 0 HA2 GLY A 26 5.972 -8.643 3.551 1.00 60.00 H new ATOM 0 HA3 GLY A 26 6.775 -8.475 5.100 1.00 60.00 H new ATOM 365 N VAL A 27 7.501 -10.871 5.343 1.00 63.42 N ATOM 366 CA VAL A 27 8.298 -12.110 5.336 1.00 15.21 C ATOM 367 C VAL A 27 7.486 -13.405 5.516 1.00 55.45 C ATOM 368 O VAL A 27 8.051 -14.391 5.961 1.00 62.54 O ATOM 369 CB VAL A 27 9.419 -12.082 6.349 1.00 21.24 C ATOM 370 CG1 VAL A 27 10.364 -10.940 5.949 1.00 30.41 C ATOM 371 CG2 VAL A 27 8.822 -11.909 7.765 1.00 31.35 C ATOM 0 H VAL A 27 7.707 -10.286 6.153 1.00 63.42 H new ATOM 0 HA VAL A 27 8.714 -12.133 4.329 1.00 15.21 H new ATOM 0 HB VAL A 27 9.988 -13.012 6.366 1.00 21.24 H new ATOM 0 HG11 VAL A 27 11.190 -10.886 6.658 1.00 30.41 H new ATOM 0 HG12 VAL A 27 10.756 -11.125 4.949 1.00 30.41 H new ATOM 0 HG13 VAL A 27 9.818 -9.997 5.956 1.00 30.41 H new ATOM 0 HG21 VAL A 27 9.627 -11.888 8.499 1.00 31.35 H new ATOM 0 HG22 VAL A 27 8.263 -10.974 7.813 1.00 31.35 H new ATOM 0 HG23 VAL A 27 8.154 -12.742 7.983 1.00 31.35 H new ATOM 381 N ASN A 28 6.164 -13.397 5.247 1.00 22.41 N ATOM 382 CA ASN A 28 5.247 -14.505 5.622 1.00 53.23 C ATOM 383 C ASN A 28 4.757 -14.217 6.983 1.00 44.32 C ATOM 384 O ASN A 28 5.045 -14.899 7.962 1.00 75.11 O ATOM 385 CB ASN A 28 5.775 -15.985 5.539 1.00 14.05 C ATOM 386 CG ASN A 28 4.602 -16.956 5.779 1.00 53.43 C ATOM 387 OD1 ASN A 28 3.582 -16.900 5.086 1.00 15.02 O ATOM 388 ND2 ASN A 28 4.741 -17.862 6.767 1.00 62.02 N ATOM 0 H ASN A 28 5.699 -12.627 4.766 1.00 22.41 H new ATOM 0 HA ASN A 28 4.475 -14.505 4.853 1.00 53.23 H new ATOM 0 HB2 ASN A 28 6.222 -16.170 4.562 1.00 14.05 H new ATOM 0 HB3 ASN A 28 6.555 -16.148 6.282 1.00 14.05 H new ATOM 0 HD21 ASN A 28 3.991 -18.526 6.959 1.00 62.02 H new ATOM 0 HD22 ASN A 28 5.596 -17.884 7.323 1.00 62.02 H new ATOM 395 N THR A 29 3.996 -13.145 7.026 1.00 60.24 N ATOM 396 CA THR A 29 3.280 -12.721 8.178 1.00 5.04 C ATOM 397 C THR A 29 1.974 -13.530 8.138 1.00 25.21 C ATOM 398 O THR A 29 1.890 -14.530 7.421 1.00 71.52 O ATOM 399 CB THR A 29 3.020 -11.223 8.163 1.00 4.02 C ATOM 400 OG1 THR A 29 4.212 -10.548 7.713 1.00 41.51 O ATOM 401 CG2 THR A 29 2.647 -10.707 9.575 1.00 12.20 C ATOM 0 H THR A 29 3.864 -12.532 6.222 1.00 60.24 H new ATOM 0 HA THR A 29 3.841 -12.895 9.096 1.00 5.04 H new ATOM 0 HB THR A 29 2.186 -11.020 7.491 1.00 4.02 H new ATOM 0 HG1 THR A 29 4.054 -9.581 7.698 1.00 41.51 H new ATOM 0 HG21 THR A 29 2.467 -9.633 9.534 1.00 12.20 H new ATOM 0 HG22 THR A 29 1.746 -11.213 9.921 1.00 12.20 H new ATOM 0 HG23 THR A 29 3.466 -10.911 10.265 1.00 12.20 H new ATOM 409 N SER A 30 0.970 -13.153 8.946 1.00 51.23 N ATOM 410 CA SER A 30 -0.294 -13.868 9.038 1.00 22.14 C ATOM 411 C SER A 30 -0.919 -14.050 7.656 1.00 60.11 C ATOM 412 O SER A 30 -1.639 -15.015 7.426 1.00 24.21 O ATOM 413 CB SER A 30 -1.306 -13.091 9.890 1.00 22.22 C ATOM 414 OG SER A 30 -0.710 -12.672 11.126 1.00 51.21 O ATOM 0 H SER A 30 1.022 -12.336 9.555 1.00 51.23 H new ATOM 0 HA SER A 30 -0.074 -14.834 9.492 1.00 22.14 H new ATOM 0 HB2 SER A 30 -1.662 -12.221 9.338 1.00 22.22 H new ATOM 0 HB3 SER A 30 -2.175 -13.717 10.093 1.00 22.22 H new ATOM 0 HG SER A 30 -1.369 -12.177 11.656 1.00 51.21 H new ATOM 420 N VAL A 31 -0.636 -13.127 6.699 1.00 44.33 N ATOM 421 CA VAL A 31 -1.198 -13.242 5.386 1.00 63.13 C ATOM 422 C VAL A 31 -0.319 -14.220 4.615 1.00 14.44 C ATOM 423 O VAL A 31 0.894 -14.050 4.513 1.00 44.25 O ATOM 424 CB VAL A 31 -1.307 -11.909 4.644 1.00 52.21 C ATOM 425 CG1 VAL A 31 -2.422 -11.086 5.330 1.00 43.24 C ATOM 426 CG2 VAL A 31 0.067 -11.175 4.652 1.00 45.55 C ATOM 0 H VAL A 31 -0.029 -12.319 6.837 1.00 44.33 H new ATOM 0 HA VAL A 31 -2.225 -13.597 5.471 1.00 63.13 H new ATOM 0 HB VAL A 31 -1.568 -12.057 3.596 1.00 52.21 H new ATOM 0 HG11 VAL A 31 -2.528 -10.126 4.826 1.00 43.24 H new ATOM 0 HG12 VAL A 31 -3.364 -11.632 5.274 1.00 43.24 H new ATOM 0 HG13 VAL A 31 -2.161 -10.920 6.375 1.00 43.24 H new ATOM 0 HG21 VAL A 31 -0.024 -10.228 4.121 1.00 45.55 H new ATOM 0 HG22 VAL A 31 0.373 -10.986 5.681 1.00 45.55 H new ATOM 0 HG23 VAL A 31 0.815 -11.797 4.160 1.00 45.55 H new ATOM 436 N ARG A 32 -0.930 -15.305 4.113 1.00 24.10 N ATOM 437 CA ARG A 32 -0.169 -16.407 3.545 1.00 10.34 C ATOM 438 C ARG A 32 0.166 -16.075 2.112 1.00 41.53 C ATOM 439 O ARG A 32 1.084 -16.645 1.527 1.00 21.43 O ATOM 440 CB ARG A 32 -0.946 -17.738 3.600 1.00 63.05 C ATOM 441 CG ARG A 32 -0.063 -18.987 3.387 1.00 44.04 C ATOM 442 CD ARG A 32 -0.778 -20.305 3.736 1.00 42.04 C ATOM 443 NE ARG A 32 -1.283 -20.196 5.151 1.00 32.04 N ATOM 444 CZ ARG A 32 -0.518 -20.535 6.246 1.00 60.21 C ATOM 445 NH1 ARG A 32 0.748 -21.052 6.097 1.00 11.13 N ATOM 446 NH2 ARG A 32 -1.043 -20.343 7.485 1.00 44.42 N ATOM 0 H ARG A 32 -1.942 -15.434 4.093 1.00 24.10 H new ATOM 0 HA ARG A 32 0.738 -16.536 4.135 1.00 10.34 H new ATOM 0 HB2 ARG A 32 -1.444 -17.817 4.567 1.00 63.05 H new ATOM 0 HB3 ARG A 32 -1.727 -17.723 2.840 1.00 63.05 H new ATOM 0 HG2 ARG A 32 0.260 -19.022 2.347 1.00 44.04 H new ATOM 0 HG3 ARG A 32 0.836 -18.897 3.997 1.00 44.04 H new ATOM 0 HD2 ARG A 32 -1.605 -20.485 3.048 1.00 42.04 H new ATOM 0 HD3 ARG A 32 -0.094 -21.148 3.639 1.00 42.04 H new ATOM 0 HE ARG A 32 -2.232 -19.857 5.305 1.00 32.04 H new ATOM 0 HH11 ARG A 32 1.136 -21.190 5.164 1.00 11.13 H new ATOM 0 HH12 ARG A 32 1.299 -21.297 6.920 1.00 11.13 H new ATOM 0 HH21 ARG A 32 -1.981 -19.957 7.587 1.00 44.42 H new ATOM 0 HH22 ARG A 32 -0.498 -20.585 8.313 1.00 44.42 H new ATOM 460 N HIS A 33 -0.553 -15.076 1.538 1.00 43.42 N ATOM 461 CA HIS A 33 -0.289 -14.591 0.170 1.00 11.00 C ATOM 462 C HIS A 33 1.032 -13.834 0.193 1.00 13.03 C ATOM 463 O HIS A 33 1.607 -13.521 -0.842 1.00 70.20 O ATOM 464 CB HIS A 33 -1.414 -13.616 -0.303 1.00 24.00 C ATOM 465 CG HIS A 33 -1.306 -13.095 -1.728 1.00 34.33 C ATOM 466 ND1 HIS A 33 -1.536 -11.849 -2.214 1.00 4.31 N flip ATOM 467 CD2 HIS A 33 -1.075 -13.906 -2.802 1.00 23.34 C flip ATOM 468 CE1 HIS A 33 -1.445 -11.915 -3.572 1.00 55.34 C flip ATOM 469 NE2 HIS A 33 -1.156 -13.171 -3.907 1.00 20.32 N flip ATOM 0 H HIS A 33 -1.320 -14.594 2.007 1.00 43.42 H new ATOM 0 HA HIS A 33 -0.255 -15.439 -0.514 1.00 11.00 H new ATOM 0 HB2 HIS A 33 -2.372 -14.124 -0.197 1.00 24.00 H new ATOM 0 HB3 HIS A 33 -1.430 -12.761 0.373 1.00 24.00 H new ATOM 0 HD2 HIS A 33 -0.863 -14.964 -2.761 1.00 23.34 H new ATOM 0 HE1 HIS A 33 -1.583 -11.092 -4.257 1.00 55.34 H new ATOM 0 HE2 HIS A 33 -1.019 -13.514 -4.858 1.00 20.32 H new ATOM 478 N GLY A 34 1.525 -13.544 1.432 1.00 1.21 N ATOM 479 CA GLY A 34 2.822 -12.877 1.674 1.00 20.41 C ATOM 480 C GLY A 34 2.822 -11.460 1.151 1.00 33.51 C ATOM 481 O GLY A 34 3.792 -10.729 1.323 1.00 71.13 O ATOM 0 H GLY A 34 1.024 -13.772 2.291 1.00 1.21 H new ATOM 0 HA2 GLY A 34 3.036 -12.871 2.743 1.00 20.41 H new ATOM 0 HA3 GLY A 34 3.619 -13.444 1.193 1.00 20.41 H new ATOM 485 N GLY A 35 1.742 -11.062 0.472 1.00 71.15 N ATOM 486 CA GLY A 35 1.656 -9.767 -0.120 1.00 3.04 C ATOM 487 C GLY A 35 1.536 -8.778 0.967 1.00 54.11 C ATOM 488 O GLY A 35 1.010 -9.078 2.036 1.00 1.24 O ATOM 0 H GLY A 35 0.916 -11.643 0.330 1.00 71.15 H new ATOM 0 HA2 GLY A 35 2.540 -9.564 -0.724 1.00 3.04 H new ATOM 0 HA3 GLY A 35 0.795 -9.708 -0.786 1.00 3.04 H new ATOM 492 N ILE A 36 2.023 -7.571 0.709 1.00 11.41 N ATOM 493 CA ILE A 36 1.947 -6.527 1.665 1.00 34.40 C ATOM 494 C ILE A 36 0.551 -5.970 1.505 1.00 21.31 C ATOM 495 O ILE A 36 0.159 -5.652 0.403 1.00 64.24 O ATOM 496 CB ILE A 36 2.945 -5.407 1.373 1.00 65.23 C ATOM 497 CG1 ILE A 36 4.356 -5.942 0.931 1.00 21.42 C ATOM 498 CG2 ILE A 36 2.989 -4.486 2.573 1.00 31.15 C ATOM 499 CD1 ILE A 36 5.035 -6.933 1.896 1.00 74.12 C ATOM 0 H ILE A 36 2.474 -7.311 -0.168 1.00 11.41 H new ATOM 0 HA ILE A 36 2.170 -6.902 2.664 1.00 34.40 H new ATOM 0 HB ILE A 36 2.609 -4.835 0.508 1.00 65.23 H new ATOM 0 HG12 ILE A 36 4.251 -6.425 -0.040 1.00 21.42 H new ATOM 0 HG13 ILE A 36 5.019 -5.088 0.792 1.00 21.42 H new ATOM 0 HG21 ILE A 36 3.696 -3.678 2.386 1.00 31.15 H new ATOM 0 HG22 ILE A 36 1.998 -4.067 2.747 1.00 31.15 H new ATOM 0 HG23 ILE A 36 3.305 -5.048 3.452 1.00 31.15 H new ATOM 0 HD11 ILE A 36 6.000 -7.234 1.489 1.00 74.12 H new ATOM 0 HD12 ILE A 36 5.183 -6.455 2.864 1.00 74.12 H new ATOM 0 HD13 ILE A 36 4.403 -7.813 2.018 1.00 74.12 H new ATOM 511 N TYR A 37 -0.234 -5.888 2.576 1.00 12.35 N ATOM 512 CA TYR A 37 -1.603 -5.414 2.441 1.00 71.52 C ATOM 513 C TYR A 37 -1.673 -4.114 3.119 1.00 5.41 C ATOM 514 O TYR A 37 -1.028 -3.900 4.135 1.00 41.41 O ATOM 515 CB TYR A 37 -2.675 -6.316 3.109 1.00 22.51 C ATOM 516 CG TYR A 37 -2.864 -7.535 2.264 1.00 43.14 C ATOM 517 CD1 TYR A 37 -2.023 -8.655 2.425 1.00 31.21 C ATOM 518 CD2 TYR A 37 -3.896 -7.585 1.291 1.00 71.12 C ATOM 519 CE1 TYR A 37 -2.197 -9.799 1.634 1.00 3.54 C ATOM 520 CE2 TYR A 37 -4.076 -8.733 0.503 1.00 1.43 C ATOM 521 CZ TYR A 37 -3.223 -9.843 0.675 1.00 5.04 C ATOM 522 OH TYR A 37 -3.394 -10.993 -0.109 1.00 61.24 O ATOM 0 H TYR A 37 0.047 -6.138 3.524 1.00 12.35 H new ATOM 0 HA TYR A 37 -1.822 -5.391 1.374 1.00 71.52 H new ATOM 0 HB2 TYR A 37 -2.360 -6.597 4.114 1.00 22.51 H new ATOM 0 HB3 TYR A 37 -3.616 -5.775 3.209 1.00 22.51 H new ATOM 0 HD1 TYR A 37 -1.237 -8.631 3.165 1.00 31.21 H new ATOM 0 HD2 TYR A 37 -4.547 -6.734 1.156 1.00 71.12 H new ATOM 0 HE1 TYR A 37 -1.542 -10.648 1.762 1.00 3.54 H new ATOM 0 HE2 TYR A 37 -4.866 -8.766 -0.233 1.00 1.43 H new ATOM 0 HH TYR A 37 -2.642 -11.080 -0.731 1.00 61.24 H new ATOM 532 N VAL A 38 -2.497 -3.205 2.578 1.00 12.45 N ATOM 533 CA VAL A 38 -2.793 -1.972 3.230 1.00 45.02 C ATOM 534 C VAL A 38 -3.733 -2.329 4.353 1.00 43.11 C ATOM 535 O VAL A 38 -4.710 -3.078 4.152 1.00 64.22 O ATOM 536 CB VAL A 38 -3.464 -0.979 2.297 1.00 23.13 C ATOM 537 CG1 VAL A 38 -3.760 0.315 3.056 1.00 71.04 C ATOM 538 CG2 VAL A 38 -2.543 -0.754 1.078 1.00 31.42 C ATOM 0 H VAL A 38 -2.963 -3.326 1.679 1.00 12.45 H new ATOM 0 HA VAL A 38 -1.877 -1.494 3.579 1.00 45.02 H new ATOM 0 HB VAL A 38 -4.418 -1.361 1.934 1.00 23.13 H new ATOM 0 HG11 VAL A 38 -4.242 1.028 2.386 1.00 71.04 H new ATOM 0 HG12 VAL A 38 -4.422 0.101 3.895 1.00 71.04 H new ATOM 0 HG13 VAL A 38 -2.828 0.740 3.428 1.00 71.04 H new ATOM 0 HG21 VAL A 38 -3.009 -0.043 0.396 1.00 31.42 H new ATOM 0 HG22 VAL A 38 -1.584 -0.359 1.414 1.00 31.42 H new ATOM 0 HG23 VAL A 38 -2.385 -1.701 0.562 1.00 31.42 H new ATOM 548 N LYS A 39 -3.416 -1.864 5.573 1.00 70.32 N ATOM 549 CA LYS A 39 -4.129 -2.313 6.734 1.00 2.43 C ATOM 550 C LYS A 39 -4.823 -1.145 7.316 1.00 21.42 C ATOM 551 O LYS A 39 -5.908 -1.273 7.858 1.00 12.40 O ATOM 552 CB LYS A 39 -3.200 -2.878 7.829 1.00 10.32 C ATOM 553 CG LYS A 39 -3.954 -3.761 8.862 1.00 51.45 C ATOM 554 CD LYS A 39 -3.063 -4.399 9.952 1.00 64.50 C ATOM 555 CE LYS A 39 -3.101 -3.697 11.332 1.00 31.11 C ATOM 556 NZ LYS A 39 -2.699 -2.283 11.251 1.00 22.04 N ATOM 0 H LYS A 39 -2.677 -1.186 5.758 1.00 70.32 H new ATOM 0 HA LYS A 39 -4.806 -3.106 6.418 1.00 2.43 H new ATOM 0 HB2 LYS A 39 -2.411 -3.467 7.361 1.00 10.32 H new ATOM 0 HB3 LYS A 39 -2.715 -2.052 8.349 1.00 10.32 H new ATOM 0 HG2 LYS A 39 -4.717 -3.153 9.348 1.00 51.45 H new ATOM 0 HG3 LYS A 39 -4.473 -4.556 8.327 1.00 51.45 H new ATOM 0 HD2 LYS A 39 -3.365 -5.438 10.083 1.00 64.50 H new ATOM 0 HD3 LYS A 39 -2.033 -4.409 9.596 1.00 64.50 H new ATOM 0 HE2 LYS A 39 -4.108 -3.763 11.743 1.00 31.11 H new ATOM 0 HE3 LYS A 39 -2.440 -4.221 12.022 1.00 31.11 H new ATOM 0 HZ1 LYS A 39 -2.740 -1.856 12.198 1.00 22.04 H new ATOM 0 HZ2 LYS A 39 -1.728 -2.219 10.884 1.00 22.04 H new ATOM 0 HZ3 LYS A 39 -3.345 -1.775 10.614 1.00 22.04 H new ATOM 570 N ALA A 40 -4.193 0.034 7.240 1.00 71.23 N ATOM 571 CA ALA A 40 -4.659 1.153 7.999 1.00 50.24 C ATOM 572 C ALA A 40 -4.689 2.268 7.069 1.00 12.53 C ATOM 573 O ALA A 40 -3.751 2.456 6.294 1.00 75.00 O ATOM 574 CB ALA A 40 -3.712 1.573 9.142 1.00 10.54 C ATOM 0 H ALA A 40 -3.372 0.216 6.663 1.00 71.23 H new ATOM 0 HA ALA A 40 -5.616 0.885 8.447 1.00 50.24 H new ATOM 0 HB1 ALA A 40 -4.135 2.428 9.670 1.00 10.54 H new ATOM 0 HB2 ALA A 40 -3.589 0.742 9.837 1.00 10.54 H new ATOM 0 HB3 ALA A 40 -2.741 1.847 8.728 1.00 10.54 H new ATOM 580 N VAL A 41 -5.763 3.042 7.124 1.00 51.31 N ATOM 581 CA VAL A 41 -5.834 4.252 6.401 1.00 63.55 C ATOM 582 C VAL A 41 -6.493 5.196 7.352 1.00 73.11 C ATOM 583 O VAL A 41 -7.512 4.858 7.958 1.00 3.34 O ATOM 584 CB VAL A 41 -6.664 4.173 5.123 1.00 51.01 C ATOM 585 CG1 VAL A 41 -6.510 5.503 4.370 1.00 2.04 C ATOM 586 CG2 VAL A 41 -6.187 2.963 4.284 1.00 33.20 C ATOM 0 H VAL A 41 -6.594 2.829 7.676 1.00 51.31 H new ATOM 0 HA VAL A 41 -4.838 4.547 6.069 1.00 63.55 H new ATOM 0 HB VAL A 41 -7.722 4.022 5.339 1.00 51.01 H new ATOM 0 HG11 VAL A 41 -7.095 5.471 3.451 1.00 2.04 H new ATOM 0 HG12 VAL A 41 -6.865 6.320 4.998 1.00 2.04 H new ATOM 0 HG13 VAL A 41 -5.460 5.663 4.126 1.00 2.04 H new ATOM 0 HG21 VAL A 41 -6.776 2.900 3.369 1.00 33.20 H new ATOM 0 HG22 VAL A 41 -5.134 3.088 4.030 1.00 33.20 H new ATOM 0 HG23 VAL A 41 -6.314 2.047 4.861 1.00 33.20 H new ATOM 596 N ILE A 42 -5.895 6.384 7.546 1.00 61.01 N ATOM 597 CA ILE A 42 -6.451 7.365 8.484 1.00 15.14 C ATOM 598 C ILE A 42 -7.705 7.872 7.823 1.00 21.25 C ATOM 599 O ILE A 42 -7.746 7.988 6.592 1.00 63.11 O ATOM 600 CB ILE A 42 -5.518 8.590 8.749 1.00 61.53 C ATOM 601 CG1 ILE A 42 -4.073 8.182 8.810 1.00 75.41 C ATOM 602 CG2 ILE A 42 -5.954 9.331 10.023 1.00 12.35 C ATOM 603 CD1 ILE A 42 -3.753 7.159 9.848 1.00 22.31 C ATOM 0 H ILE A 42 -5.042 6.682 7.073 1.00 61.01 H new ATOM 0 HA ILE A 42 -6.603 6.884 9.450 1.00 15.14 H new ATOM 0 HB ILE A 42 -5.615 9.278 7.909 1.00 61.53 H new ATOM 0 HG12 ILE A 42 -3.779 7.794 7.835 1.00 75.41 H new ATOM 0 HG13 ILE A 42 -3.467 9.069 8.996 1.00 75.41 H new ATOM 0 HG21 ILE A 42 -5.294 10.181 10.193 1.00 12.35 H new ATOM 0 HG22 ILE A 42 -6.978 9.685 9.906 1.00 12.35 H new ATOM 0 HG23 ILE A 42 -5.899 8.653 10.875 1.00 12.35 H new ATOM 0 HD11 ILE A 42 -2.688 6.929 9.816 1.00 22.31 H new ATOM 0 HD12 ILE A 42 -4.010 7.548 10.833 1.00 22.31 H new ATOM 0 HD13 ILE A 42 -4.326 6.252 9.654 1.00 22.31 H new ATOM 615 N PRO A 43 -8.732 8.223 8.616 1.00 44.10 N ATOM 616 CA PRO A 43 -9.836 9.016 8.128 1.00 63.10 C ATOM 617 C PRO A 43 -9.268 10.304 7.564 1.00 13.43 C ATOM 618 O PRO A 43 -8.667 11.090 8.321 1.00 43.40 O ATOM 619 CB PRO A 43 -10.751 9.244 9.354 1.00 53.23 C ATOM 620 CG PRO A 43 -9.863 8.907 10.577 1.00 33.12 C ATOM 621 CD PRO A 43 -8.883 7.862 10.033 1.00 13.04 C ATOM 0 HA PRO A 43 -10.411 8.545 7.331 1.00 63.10 H new ATOM 0 HB2 PRO A 43 -11.108 10.273 9.396 1.00 53.23 H new ATOM 0 HB3 PRO A 43 -11.631 8.603 9.315 1.00 53.23 H new ATOM 0 HG2 PRO A 43 -9.342 9.789 10.950 1.00 33.12 H new ATOM 0 HG3 PRO A 43 -10.453 8.512 11.404 1.00 33.12 H new ATOM 0 HD2 PRO A 43 -7.929 7.898 10.558 1.00 13.04 H new ATOM 0 HD3 PRO A 43 -9.273 6.851 10.148 1.00 13.04 H new ATOM 629 N GLN A 44 -9.411 10.481 6.242 1.00 60.13 N ATOM 630 CA GLN A 44 -8.877 11.612 5.515 1.00 14.33 C ATOM 631 C GLN A 44 -7.366 11.560 5.463 1.00 3.20 C ATOM 632 O GLN A 44 -6.714 12.597 5.278 1.00 41.10 O ATOM 633 CB GLN A 44 -9.328 13.005 6.014 1.00 5.44 C ATOM 634 CG GLN A 44 -10.848 13.171 6.027 1.00 42.33 C ATOM 635 CD GLN A 44 -11.169 14.600 6.430 1.00 13.01 C ATOM 636 OE1 GLN A 44 -10.261 15.407 6.707 1.00 60.34 O ATOM 637 NE2 GLN A 44 -12.463 14.937 6.472 1.00 44.43 N ATOM 0 H GLN A 44 -9.913 9.821 5.648 1.00 60.13 H new ATOM 0 HA GLN A 44 -9.304 11.506 4.518 1.00 14.33 H new ATOM 0 HB2 GLN A 44 -8.942 13.167 7.020 1.00 5.44 H new ATOM 0 HB3 GLN A 44 -8.889 13.773 5.377 1.00 5.44 H new ATOM 0 HG2 GLN A 44 -11.262 12.952 5.043 1.00 42.33 H new ATOM 0 HG3 GLN A 44 -11.301 12.468 6.727 1.00 42.33 H new ATOM 0 HE21 GLN A 44 -13.177 14.248 6.238 1.00 44.43 H new ATOM 0 HE22 GLN A 44 -12.735 15.883 6.738 1.00 44.43 H new ATOM 646 N GLY A 45 -6.743 10.345 5.549 1.00 2.21 N ATOM 647 CA GLY A 45 -5.331 10.234 5.222 1.00 42.12 C ATOM 648 C GLY A 45 -5.229 10.351 3.723 1.00 51.03 C ATOM 649 O GLY A 45 -6.249 10.464 3.029 1.00 43.51 O ATOM 0 H GLY A 45 -7.195 9.476 5.832 1.00 2.21 H new ATOM 0 HA2 GLY A 45 -4.756 11.020 5.713 1.00 42.12 H new ATOM 0 HA3 GLY A 45 -4.927 9.282 5.565 1.00 42.12 H new ATOM 653 N ALA A 46 -3.993 10.336 3.184 1.00 54.02 N ATOM 654 CA ALA A 46 -3.766 10.634 1.771 1.00 14.02 C ATOM 655 C ALA A 46 -4.481 9.612 0.924 1.00 53.54 C ATOM 656 O ALA A 46 -5.151 9.950 -0.046 1.00 72.42 O ATOM 657 CB ALA A 46 -2.262 10.607 1.394 1.00 12.35 C ATOM 0 H ALA A 46 -3.146 10.121 3.710 1.00 54.02 H new ATOM 0 HA ALA A 46 -4.147 11.639 1.590 1.00 14.02 H new ATOM 0 HB1 ALA A 46 -2.148 10.835 0.334 1.00 12.35 H new ATOM 0 HB2 ALA A 46 -1.726 11.350 1.984 1.00 12.35 H new ATOM 0 HB3 ALA A 46 -1.853 9.617 1.598 1.00 12.35 H new ATOM 663 N ALA A 47 -4.349 8.320 1.304 1.00 52.24 N ATOM 664 CA ALA A 47 -4.922 7.218 0.528 1.00 22.35 C ATOM 665 C ALA A 47 -6.424 7.375 0.466 1.00 43.25 C ATOM 666 O ALA A 47 -7.015 7.290 -0.602 1.00 3.41 O ATOM 667 CB ALA A 47 -4.627 5.838 1.140 1.00 73.24 C ATOM 0 H ALA A 47 -3.850 8.025 2.143 1.00 52.24 H new ATOM 0 HA ALA A 47 -4.464 7.264 -0.460 1.00 22.35 H new ATOM 0 HB1 ALA A 47 -5.077 5.062 0.521 1.00 73.24 H new ATOM 0 HB2 ALA A 47 -3.549 5.684 1.188 1.00 73.24 H new ATOM 0 HB3 ALA A 47 -5.046 5.789 2.145 1.00 73.24 H new ATOM 673 N GLU A 48 -7.066 7.603 1.641 1.00 13.02 N ATOM 674 CA GLU A 48 -8.529 7.631 1.715 1.00 33.34 C ATOM 675 C GLU A 48 -9.032 8.833 0.959 1.00 74.14 C ATOM 676 O GLU A 48 -10.067 8.776 0.301 1.00 35.30 O ATOM 677 CB GLU A 48 -9.097 7.720 3.155 1.00 31.22 C ATOM 678 CG GLU A 48 -10.574 7.294 3.234 1.00 73.44 C ATOM 679 CD GLU A 48 -11.095 7.643 4.594 1.00 11.34 C ATOM 680 OE1 GLU A 48 -11.190 8.851 4.896 1.00 71.44 O ATOM 681 OE2 GLU A 48 -11.437 6.715 5.368 1.00 51.42 O ATOM 0 H GLU A 48 -6.593 7.766 2.530 1.00 13.02 H new ATOM 0 HA GLU A 48 -8.866 6.686 1.290 1.00 33.34 H new ATOM 0 HB2 GLU A 48 -8.504 7.087 3.816 1.00 31.22 H new ATOM 0 HB3 GLU A 48 -8.997 8.743 3.519 1.00 31.22 H new ATOM 0 HG2 GLU A 48 -11.156 7.800 2.464 1.00 73.44 H new ATOM 0 HG3 GLU A 48 -10.670 6.223 3.055 1.00 73.44 H new ATOM 688 N SER A 49 -8.287 9.951 1.043 1.00 34.31 N ATOM 689 CA SER A 49 -8.695 11.198 0.420 1.00 1.50 C ATOM 690 C SER A 49 -8.699 11.005 -1.080 1.00 21.45 C ATOM 691 O SER A 49 -9.646 11.396 -1.772 1.00 61.43 O ATOM 692 CB SER A 49 -7.733 12.358 0.766 1.00 0.04 C ATOM 693 OG SER A 49 -7.716 12.568 2.190 1.00 5.40 O ATOM 0 H SER A 49 -7.398 10.003 1.541 1.00 34.31 H new ATOM 0 HA SER A 49 -9.686 11.458 0.793 1.00 1.50 H new ATOM 0 HB2 SER A 49 -6.728 12.128 0.411 1.00 0.04 H new ATOM 0 HB3 SER A 49 -8.050 13.269 0.258 1.00 0.04 H new ATOM 0 HG SER A 49 -7.113 11.919 2.609 1.00 5.40 H new ATOM 699 N ASP A 50 -7.635 10.347 -1.602 1.00 2.21 N ATOM 700 CA ASP A 50 -7.528 10.112 -3.047 1.00 62.10 C ATOM 701 C ASP A 50 -8.586 9.080 -3.416 1.00 60.14 C ATOM 702 O ASP A 50 -9.209 9.145 -4.472 1.00 23.12 O ATOM 703 CB ASP A 50 -6.128 9.606 -3.523 1.00 74.31 C ATOM 704 CG ASP A 50 -5.950 9.921 -5.020 1.00 63.22 C ATOM 705 OD1 ASP A 50 -6.822 10.590 -5.611 1.00 4.41 O ATOM 706 OD2 ASP A 50 -4.908 9.544 -5.604 1.00 2.22 O ATOM 0 H ASP A 50 -6.859 9.980 -1.051 1.00 2.21 H new ATOM 0 HA ASP A 50 -7.674 11.070 -3.546 1.00 62.10 H new ATOM 0 HB2 ASP A 50 -5.340 10.086 -2.943 1.00 74.31 H new ATOM 0 HB3 ASP A 50 -6.040 8.533 -3.353 1.00 74.31 H new ATOM 711 N GLY A 51 -8.861 8.148 -2.475 1.00 11.02 N ATOM 712 CA GLY A 51 -9.986 7.211 -2.597 1.00 55.21 C ATOM 713 C GLY A 51 -9.579 6.004 -3.380 1.00 12.11 C ATOM 714 O GLY A 51 -10.268 4.987 -3.385 1.00 54.50 O ATOM 0 H GLY A 51 -8.313 8.030 -1.623 1.00 11.02 H new ATOM 0 HA2 GLY A 51 -10.326 6.911 -1.606 1.00 55.21 H new ATOM 0 HA3 GLY A 51 -10.826 7.704 -3.087 1.00 55.21 H new ATOM 718 N ARG A 52 -8.467 6.101 -4.091 1.00 40.23 N ATOM 719 CA ARG A 52 -8.074 5.071 -5.016 1.00 71.45 C ATOM 720 C ARG A 52 -7.447 3.942 -4.243 1.00 74.04 C ATOM 721 O ARG A 52 -7.633 2.781 -4.588 1.00 53.12 O ATOM 722 CB ARG A 52 -7.095 5.616 -6.074 1.00 40.22 C ATOM 723 CG ARG A 52 -7.781 6.703 -6.934 1.00 32.04 C ATOM 724 CD ARG A 52 -6.831 7.708 -7.565 1.00 2.03 C ATOM 725 NE ARG A 52 -5.992 7.037 -8.600 1.00 61.23 N ATOM 726 CZ ARG A 52 -4.775 7.574 -8.968 1.00 14.44 C ATOM 727 NH1 ARG A 52 -4.203 8.583 -8.212 1.00 44.32 N ATOM 728 NH2 ARG A 52 -4.140 7.093 -10.078 1.00 22.23 N ATOM 0 H ARG A 52 -7.823 6.890 -4.039 1.00 40.23 H new ATOM 0 HA ARG A 52 -8.955 4.710 -5.547 1.00 71.45 H new ATOM 0 HB2 ARG A 52 -6.215 6.033 -5.584 1.00 40.22 H new ATOM 0 HB3 ARG A 52 -6.749 4.803 -6.712 1.00 40.22 H new ATOM 0 HG2 ARG A 52 -8.350 6.215 -7.725 1.00 32.04 H new ATOM 0 HG3 ARG A 52 -8.497 7.241 -6.312 1.00 32.04 H new ATOM 0 HD2 ARG A 52 -7.398 8.523 -8.016 1.00 2.03 H new ATOM 0 HD3 ARG A 52 -6.194 8.149 -6.799 1.00 2.03 H new ATOM 0 HE ARG A 52 -6.320 6.176 -9.038 1.00 61.23 H new ATOM 0 HH11 ARG A 52 -4.681 8.931 -7.381 1.00 44.32 H new ATOM 0 HH12 ARG A 52 -3.303 8.978 -8.486 1.00 44.32 H new ATOM 0 HH21 ARG A 52 -4.566 6.345 -10.625 1.00 22.23 H new ATOM 0 HH22 ARG A 52 -3.240 7.482 -10.360 1.00 22.23 H new ATOM 742 N ILE A 53 -6.723 4.256 -3.154 1.00 71.03 N ATOM 743 CA ILE A 53 -6.142 3.220 -2.326 1.00 62.32 C ATOM 744 C ILE A 53 -6.990 3.164 -1.081 1.00 52.34 C ATOM 745 O ILE A 53 -7.445 4.194 -0.584 1.00 45.24 O ATOM 746 CB ILE A 53 -4.694 3.516 -1.946 1.00 22.40 C ATOM 747 CG1 ILE A 53 -3.845 3.653 -3.226 1.00 32.40 C ATOM 748 CG2 ILE A 53 -4.161 2.409 -0.988 1.00 53.10 C ATOM 749 CD1 ILE A 53 -2.392 4.004 -2.946 1.00 51.15 C ATOM 0 H ILE A 53 -6.536 5.209 -2.842 1.00 71.03 H new ATOM 0 HA ILE A 53 -6.126 2.276 -2.870 1.00 62.32 H new ATOM 0 HB ILE A 53 -4.629 4.462 -1.408 1.00 22.40 H new ATOM 0 HG12 ILE A 53 -3.885 2.717 -3.783 1.00 32.40 H new ATOM 0 HG13 ILE A 53 -4.282 4.422 -3.863 1.00 32.40 H new ATOM 0 HG21 ILE A 53 -3.127 2.626 -0.721 1.00 53.10 H new ATOM 0 HG22 ILE A 53 -4.772 2.384 -0.085 1.00 53.10 H new ATOM 0 HG23 ILE A 53 -4.211 1.441 -1.487 1.00 53.10 H new ATOM 0 HD11 ILE A 53 -1.849 4.086 -3.888 1.00 51.15 H new ATOM 0 HD12 ILE A 53 -2.343 4.955 -2.415 1.00 51.15 H new ATOM 0 HD13 ILE A 53 -1.941 3.223 -2.334 1.00 51.15 H new ATOM 761 N HIS A 54 -7.233 1.951 -0.573 1.00 20.24 N ATOM 762 CA HIS A 54 -7.943 1.766 0.657 1.00 51.10 C ATOM 763 C HIS A 54 -7.286 0.619 1.292 1.00 2.44 C ATOM 764 O HIS A 54 -6.365 0.022 0.741 1.00 42.12 O ATOM 765 CB HIS A 54 -9.447 1.379 0.491 1.00 74.35 C ATOM 766 CG HIS A 54 -10.337 2.531 0.177 1.00 15.32 C ATOM 767 ND1 HIS A 54 -11.178 3.208 0.976 1.00 23.15 N flip ATOM 768 CD2 HIS A 54 -10.438 3.060 -1.068 1.00 33.00 C flip ATOM 769 CE1 HIS A 54 -11.798 4.143 0.213 1.00 74.40 C flip ATOM 770 NE2 HIS A 54 -11.337 4.041 -1.028 1.00 71.12 N flip ATOM 0 H HIS A 54 -6.935 1.082 -1.017 1.00 20.24 H new ATOM 0 HA HIS A 54 -7.923 2.704 1.211 1.00 51.10 H new ATOM 0 HB2 HIS A 54 -9.535 0.638 -0.303 1.00 74.35 H new ATOM 0 HB3 HIS A 54 -9.793 0.905 1.409 1.00 74.35 H new ATOM 0 HD2 HIS A 54 -9.886 2.741 -1.939 1.00 33.00 H new ATOM 0 HE1 HIS A 54 -12.539 4.849 0.556 1.00 74.40 H new ATOM 0 HE2 HIS A 54 -11.624 4.618 -1.819 1.00 71.12 H new ATOM 779 N LYS A 55 -7.759 0.273 2.487 1.00 14.44 N ATOM 780 CA LYS A 55 -7.340 -0.915 3.156 1.00 73.11 C ATOM 781 C LYS A 55 -7.849 -2.079 2.347 1.00 41.14 C ATOM 782 O LYS A 55 -8.902 -1.978 1.701 1.00 5.22 O ATOM 783 CB LYS A 55 -7.880 -1.024 4.587 1.00 32.31 C ATOM 784 CG LYS A 55 -9.420 -1.079 4.668 1.00 31.31 C ATOM 785 CD LYS A 55 -9.952 -1.397 6.056 1.00 13.23 C ATOM 786 CE LYS A 55 -9.722 -0.276 7.088 1.00 63.01 C ATOM 787 NZ LYS A 55 -10.384 -0.599 8.366 1.00 62.22 N ATOM 0 H LYS A 55 -8.445 0.823 3.004 1.00 14.44 H new ATOM 0 HA LYS A 55 -6.253 -0.903 3.237 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -7.469 -1.919 5.054 1.00 32.31 H new ATOM 0 HB3 LYS A 55 -7.525 -0.171 5.165 1.00 32.31 H new ATOM 0 HG2 LYS A 55 -9.826 -0.120 4.345 1.00 31.31 H new ATOM 0 HG3 LYS A 55 -9.784 -1.831 3.969 1.00 31.31 H new ATOM 0 HD2 LYS A 55 -11.021 -1.599 5.987 1.00 13.23 H new ATOM 0 HD3 LYS A 55 -9.478 -2.310 6.415 1.00 13.23 H new ATOM 0 HE2 LYS A 55 -8.653 -0.139 7.251 1.00 63.01 H new ATOM 0 HE3 LYS A 55 -10.109 0.667 6.701 1.00 63.01 H new ATOM 0 HZ1 LYS A 55 -10.217 0.169 9.047 1.00 62.22 H new ATOM 0 HZ2 LYS A 55 -11.407 -0.707 8.210 1.00 62.22 H new ATOM 0 HZ3 LYS A 55 -9.996 -1.487 8.743 1.00 62.22 H new ATOM 801 N GLY A 56 -7.114 -3.190 2.314 1.00 65.51 N ATOM 802 CA GLY A 56 -7.606 -4.361 1.620 1.00 22.24 C ATOM 803 C GLY A 56 -6.877 -4.445 0.314 1.00 25.02 C ATOM 804 O GLY A 56 -6.858 -5.483 -0.337 1.00 5.34 O ATOM 0 H GLY A 56 -6.198 -3.296 2.751 1.00 65.51 H new ATOM 0 HA2 GLY A 56 -7.435 -5.259 2.214 1.00 22.24 H new ATOM 0 HA3 GLY A 56 -8.681 -4.287 1.456 1.00 22.24 H new ATOM 808 N ASP A 57 -6.240 -3.323 -0.089 1.00 53.03 N ATOM 809 CA ASP A 57 -5.456 -3.284 -1.306 1.00 15.24 C ATOM 810 C ASP A 57 -4.134 -3.898 -0.965 1.00 70.32 C ATOM 811 O ASP A 57 -3.677 -3.798 0.172 1.00 20.32 O ATOM 812 CB ASP A 57 -5.207 -1.835 -1.826 1.00 61.12 C ATOM 813 CG ASP A 57 -6.455 -1.372 -2.570 1.00 53.15 C ATOM 814 OD1 ASP A 57 -6.828 -2.009 -3.582 1.00 52.22 O ATOM 815 OD2 ASP A 57 -7.097 -0.382 -2.135 1.00 54.34 O ATOM 0 H ASP A 57 -6.264 -2.441 0.423 1.00 53.03 H new ATOM 0 HA ASP A 57 -5.994 -3.812 -2.094 1.00 15.24 H new ATOM 0 HB2 ASP A 57 -4.991 -1.165 -0.994 1.00 61.12 H new ATOM 0 HB3 ASP A 57 -4.341 -1.812 -2.487 1.00 61.12 H new ATOM 820 N ARG A 58 -3.518 -4.597 -1.935 1.00 22.41 N ATOM 821 CA ARG A 58 -2.283 -5.312 -1.704 1.00 72.53 C ATOM 822 C ARG A 58 -1.232 -4.536 -2.436 1.00 51.51 C ATOM 823 O ARG A 58 -1.366 -4.295 -3.607 1.00 31.11 O ATOM 824 CB ARG A 58 -2.346 -6.785 -2.266 1.00 32.14 C ATOM 825 CG ARG A 58 -1.172 -7.706 -1.873 1.00 12.44 C ATOM 826 CD ARG A 58 0.053 -7.652 -2.816 1.00 14.22 C ATOM 827 NE ARG A 58 -0.265 -8.419 -4.089 1.00 23.24 N ATOM 828 CZ ARG A 58 0.734 -9.058 -4.830 1.00 74.24 C ATOM 829 NH1 ARG A 58 2.044 -8.992 -4.435 1.00 41.02 N ATOM 830 NH2 ARG A 58 0.396 -9.760 -5.960 1.00 11.50 N ATOM 0 H ARG A 58 -3.871 -4.672 -2.889 1.00 22.41 H new ATOM 0 HA ARG A 58 -2.079 -5.396 -0.637 1.00 72.53 H new ATOM 0 HB2 ARG A 58 -3.273 -7.245 -1.924 1.00 32.14 H new ATOM 0 HB3 ARG A 58 -2.396 -6.737 -3.354 1.00 32.14 H new ATOM 0 HG2 ARG A 58 -0.847 -7.444 -0.866 1.00 12.44 H new ATOM 0 HG3 ARG A 58 -1.535 -8.733 -1.833 1.00 12.44 H new ATOM 0 HD2 ARG A 58 0.300 -6.617 -3.052 1.00 14.22 H new ATOM 0 HD3 ARG A 58 0.925 -8.084 -2.325 1.00 14.22 H new ATOM 0 HE ARG A 58 -1.232 -8.469 -4.411 1.00 23.24 H new ATOM 0 HH11 ARG A 58 2.298 -8.474 -3.594 1.00 41.02 H new ATOM 0 HH12 ARG A 58 2.766 -9.461 -4.982 1.00 41.02 H new ATOM 0 HH21 ARG A 58 -0.579 -9.813 -6.255 1.00 11.50 H new ATOM 0 HH22 ARG A 58 1.120 -10.228 -6.505 1.00 11.50 H new ATOM 844 N VAL A 59 -0.168 -4.099 -1.742 1.00 31.24 N ATOM 845 CA VAL A 59 0.857 -3.296 -2.369 1.00 63.32 C ATOM 846 C VAL A 59 1.928 -4.261 -2.780 1.00 42.51 C ATOM 847 O VAL A 59 2.216 -5.229 -2.059 1.00 22.43 O ATOM 848 CB VAL A 59 1.484 -2.248 -1.435 1.00 13.51 C ATOM 849 CG1 VAL A 59 2.283 -1.215 -2.287 1.00 22.12 C ATOM 850 CG2 VAL A 59 0.363 -1.596 -0.602 1.00 45.31 C ATOM 0 H VAL A 59 -0.009 -4.295 -0.754 1.00 31.24 H new ATOM 0 HA VAL A 59 0.413 -2.739 -3.194 1.00 63.32 H new ATOM 0 HB VAL A 59 2.189 -2.705 -0.741 1.00 13.51 H new ATOM 0 HG11 VAL A 59 2.730 -0.469 -1.630 1.00 22.12 H new ATOM 0 HG12 VAL A 59 3.069 -1.730 -2.839 1.00 22.12 H new ATOM 0 HG13 VAL A 59 1.609 -0.723 -2.988 1.00 22.12 H new ATOM 0 HG21 VAL A 59 0.793 -0.850 0.066 1.00 45.31 H new ATOM 0 HG22 VAL A 59 -0.354 -1.116 -1.269 1.00 45.31 H new ATOM 0 HG23 VAL A 59 -0.144 -2.360 -0.013 1.00 45.31 H new ATOM 860 N LEU A 60 2.526 -4.045 -3.948 1.00 3.51 N ATOM 861 CA LEU A 60 3.601 -4.893 -4.371 1.00 10.15 C ATOM 862 C LEU A 60 4.808 -4.043 -4.556 1.00 71.22 C ATOM 863 O LEU A 60 5.882 -4.370 -4.039 1.00 22.21 O ATOM 864 CB LEU A 60 3.334 -5.723 -5.653 1.00 40.02 C ATOM 865 CG LEU A 60 2.515 -5.052 -6.760 1.00 1.11 C ATOM 866 CD1 LEU A 60 2.844 -5.656 -8.112 1.00 40.21 C ATOM 867 CD2 LEU A 60 1.012 -5.109 -6.489 1.00 21.35 C ATOM 0 H LEU A 60 2.280 -3.299 -4.599 1.00 3.51 H new ATOM 0 HA LEU A 60 3.733 -5.641 -3.589 1.00 10.15 H new ATOM 0 HB2 LEU A 60 4.296 -6.015 -6.074 1.00 40.02 H new ATOM 0 HB3 LEU A 60 2.822 -6.640 -5.362 1.00 40.02 H new ATOM 0 HG LEU A 60 2.795 -3.999 -6.770 1.00 1.11 H new ATOM 0 HD11 LEU A 60 2.251 -5.165 -8.884 1.00 40.21 H new ATOM 0 HD12 LEU A 60 3.904 -5.516 -8.325 1.00 40.21 H new ATOM 0 HD13 LEU A 60 2.614 -6.721 -8.100 1.00 40.21 H new ATOM 0 HD21 LEU A 60 0.477 -4.620 -7.303 1.00 21.35 H new ATOM 0 HD22 LEU A 60 0.694 -6.149 -6.419 1.00 21.35 H new ATOM 0 HD23 LEU A 60 0.792 -4.599 -5.551 1.00 21.35 H new ATOM 879 N ALA A 61 4.672 -2.923 -5.279 1.00 43.23 N ATOM 880 CA ALA A 61 5.845 -2.141 -5.578 1.00 52.55 C ATOM 881 C ALA A 61 5.606 -0.726 -5.237 1.00 3.24 C ATOM 882 O ALA A 61 4.481 -0.290 -4.983 1.00 73.55 O ATOM 883 CB ALA A 61 6.285 -2.189 -7.057 1.00 74.50 C ATOM 0 H ALA A 61 3.793 -2.561 -5.648 1.00 43.23 H new ATOM 0 HA ALA A 61 6.641 -2.585 -4.980 1.00 52.55 H new ATOM 0 HB1 ALA A 61 7.174 -1.573 -7.192 1.00 74.50 H new ATOM 0 HB2 ALA A 61 6.510 -3.218 -7.336 1.00 74.50 H new ATOM 0 HB3 ALA A 61 5.481 -1.809 -7.688 1.00 74.50 H new ATOM 889 N VAL A 62 6.719 0.000 -5.222 1.00 33.41 N ATOM 890 CA VAL A 62 6.761 1.385 -4.908 1.00 13.33 C ATOM 891 C VAL A 62 7.765 1.929 -5.874 1.00 73.32 C ATOM 892 O VAL A 62 8.945 1.759 -5.701 1.00 13.15 O ATOM 893 CB VAL A 62 7.224 1.671 -3.477 1.00 70.23 C ATOM 894 CG1 VAL A 62 7.335 3.196 -3.265 1.00 14.54 C ATOM 895 CG2 VAL A 62 6.219 1.009 -2.507 1.00 65.21 C ATOM 0 H VAL A 62 7.636 -0.392 -5.438 1.00 33.41 H new ATOM 0 HA VAL A 62 5.769 1.831 -4.979 1.00 13.33 H new ATOM 0 HB VAL A 62 8.212 1.253 -3.286 1.00 70.23 H new ATOM 0 HG11 VAL A 62 7.665 3.399 -2.246 1.00 14.54 H new ATOM 0 HG12 VAL A 62 8.057 3.610 -3.969 1.00 14.54 H new ATOM 0 HG13 VAL A 62 6.362 3.658 -3.430 1.00 14.54 H new ATOM 0 HG21 VAL A 62 6.527 1.198 -1.479 1.00 65.21 H new ATOM 0 HG22 VAL A 62 5.226 1.427 -2.671 1.00 65.21 H new ATOM 0 HG23 VAL A 62 6.195 -0.066 -2.686 1.00 65.21 H new ATOM 905 N ASN A 63 7.273 2.554 -6.945 1.00 35.51 N ATOM 906 CA ASN A 63 8.083 3.085 -8.050 1.00 1.02 C ATOM 907 C ASN A 63 9.089 2.053 -8.531 1.00 2.14 C ATOM 908 O ASN A 63 10.251 2.368 -8.814 1.00 33.50 O ATOM 909 CB ASN A 63 8.800 4.430 -7.739 1.00 13.14 C ATOM 910 CG ASN A 63 9.084 5.143 -9.064 1.00 51.51 C ATOM 911 OD1 ASN A 63 8.157 5.474 -9.800 1.00 14.43 O ATOM 912 ND2 ASN A 63 10.360 5.392 -9.378 1.00 41.22 N ATOM 0 H ASN A 63 6.273 2.711 -7.074 1.00 35.51 H new ATOM 0 HA ASN A 63 7.369 3.305 -8.844 1.00 1.02 H new ATOM 0 HB2 ASN A 63 8.176 5.053 -7.099 1.00 13.14 H new ATOM 0 HB3 ASN A 63 9.729 4.249 -7.199 1.00 13.14 H new ATOM 0 HD21 ASN A 63 10.587 5.870 -10.250 1.00 41.22 H new ATOM 0 HD22 ASN A 63 11.106 5.104 -8.745 1.00 41.22 H new ATOM 919 N GLY A 64 8.647 0.790 -8.638 1.00 33.25 N ATOM 920 CA GLY A 64 9.480 -0.247 -9.191 1.00 33.32 C ATOM 921 C GLY A 64 10.392 -0.794 -8.132 1.00 23.14 C ATOM 922 O GLY A 64 11.329 -1.529 -8.444 1.00 75.23 O ATOM 0 H GLY A 64 7.720 0.480 -8.346 1.00 33.25 H new ATOM 0 HA2 GLY A 64 8.859 -1.046 -9.596 1.00 33.32 H new ATOM 0 HA3 GLY A 64 10.068 0.150 -10.019 1.00 33.32 H new ATOM 926 N VAL A 65 10.144 -0.479 -6.836 1.00 50.34 N ATOM 927 CA VAL A 65 10.937 -1.056 -5.803 1.00 24.01 C ATOM 928 C VAL A 65 10.102 -2.170 -5.303 1.00 74.24 C ATOM 929 O VAL A 65 8.988 -1.963 -4.827 1.00 71.52 O ATOM 930 CB VAL A 65 11.241 -0.105 -4.647 1.00 44.31 C ATOM 931 CG1 VAL A 65 12.010 -0.869 -3.537 1.00 10.33 C ATOM 932 CG2 VAL A 65 12.034 1.098 -5.214 1.00 72.25 C ATOM 0 H VAL A 65 9.413 0.158 -6.520 1.00 50.34 H new ATOM 0 HA VAL A 65 11.912 -1.346 -6.194 1.00 24.01 H new ATOM 0 HB VAL A 65 10.329 0.276 -4.187 1.00 44.31 H new ATOM 0 HG11 VAL A 65 12.227 -0.191 -2.712 1.00 10.33 H new ATOM 0 HG12 VAL A 65 11.400 -1.697 -3.175 1.00 10.33 H new ATOM 0 HG13 VAL A 65 12.944 -1.257 -3.943 1.00 10.33 H new ATOM 0 HG21 VAL A 65 12.265 1.794 -4.408 1.00 72.25 H new ATOM 0 HG22 VAL A 65 12.961 0.743 -5.663 1.00 72.25 H new ATOM 0 HG23 VAL A 65 11.435 1.605 -5.971 1.00 72.25 H new ATOM 942 N SER A 66 10.609 -3.381 -5.461 1.00 31.32 N ATOM 943 CA SER A 66 9.918 -4.545 -5.036 1.00 53.35 C ATOM 944 C SER A 66 9.962 -4.593 -3.546 1.00 10.01 C ATOM 945 O SER A 66 11.020 -4.786 -2.943 1.00 43.23 O ATOM 946 CB SER A 66 10.547 -5.845 -5.591 1.00 42.50 C ATOM 947 OG SER A 66 10.698 -5.747 -7.016 1.00 4.14 O ATOM 0 H SER A 66 11.515 -3.565 -5.891 1.00 31.32 H new ATOM 0 HA SER A 66 8.897 -4.487 -5.413 1.00 53.35 H new ATOM 0 HB2 SER A 66 11.517 -6.017 -5.125 1.00 42.50 H new ATOM 0 HB3 SER A 66 9.917 -6.699 -5.341 1.00 42.50 H new ATOM 0 HG SER A 66 11.098 -6.573 -7.360 1.00 4.14 H new ATOM 953 N LEU A 67 8.792 -4.419 -2.926 1.00 55.05 N ATOM 954 CA LEU A 67 8.650 -4.591 -1.493 1.00 21.13 C ATOM 955 C LEU A 67 8.300 -6.037 -1.258 1.00 62.43 C ATOM 956 O LEU A 67 7.975 -6.433 -0.149 1.00 34.20 O ATOM 957 CB LEU A 67 7.507 -3.735 -0.895 1.00 21.43 C ATOM 958 CG LEU A 67 7.939 -2.316 -0.457 1.00 70.15 C ATOM 959 CD1 LEU A 67 8.909 -2.340 0.741 1.00 44.41 C ATOM 960 CD2 LEU A 67 8.462 -1.451 -1.608 1.00 43.21 C ATOM 0 H LEU A 67 7.930 -4.158 -3.404 1.00 55.05 H new ATOM 0 HA LEU A 67 9.581 -4.283 -1.017 1.00 21.13 H new ATOM 0 HB2 LEU A 67 6.709 -3.648 -1.633 1.00 21.43 H new ATOM 0 HB3 LEU A 67 7.089 -4.257 -0.034 1.00 21.43 H new ATOM 0 HG LEU A 67 7.025 -1.829 -0.117 1.00 70.15 H new ATOM 0 HD11 LEU A 67 9.182 -1.319 1.009 1.00 44.41 H new ATOM 0 HD12 LEU A 67 8.426 -2.822 1.591 1.00 44.41 H new ATOM 0 HD13 LEU A 67 9.807 -2.896 0.471 1.00 44.41 H new ATOM 0 HD21 LEU A 67 8.746 -0.470 -1.226 1.00 43.21 H new ATOM 0 HD22 LEU A 67 9.331 -1.931 -2.058 1.00 43.21 H new ATOM 0 HD23 LEU A 67 7.681 -1.335 -2.360 1.00 43.21 H new ATOM 972 N GLU A 68 8.387 -6.875 -2.306 1.00 72.23 N ATOM 973 CA GLU A 68 8.138 -8.268 -2.152 1.00 53.34 C ATOM 974 C GLU A 68 9.319 -8.833 -1.385 1.00 5.24 C ATOM 975 O GLU A 68 10.459 -8.405 -1.589 1.00 63.44 O ATOM 976 CB GLU A 68 8.023 -8.989 -3.514 1.00 23.14 C ATOM 977 CG GLU A 68 7.351 -10.356 -3.438 1.00 51.20 C ATOM 978 CD GLU A 68 7.271 -10.920 -4.839 1.00 40.21 C ATOM 979 OE1 GLU A 68 6.844 -10.185 -5.761 1.00 51.05 O ATOM 980 OE2 GLU A 68 7.631 -12.095 -5.030 1.00 51.50 O ATOM 0 H GLU A 68 8.629 -6.587 -3.254 1.00 72.23 H new ATOM 0 HA GLU A 68 7.192 -8.418 -1.631 1.00 53.34 H new ATOM 0 HB2 GLU A 68 7.461 -8.357 -4.202 1.00 23.14 H new ATOM 0 HB3 GLU A 68 9.021 -9.109 -3.935 1.00 23.14 H new ATOM 0 HG2 GLU A 68 7.920 -11.024 -2.791 1.00 51.20 H new ATOM 0 HG3 GLU A 68 6.354 -10.266 -3.006 1.00 51.20 H new ATOM 987 N GLY A 69 9.054 -9.759 -0.444 1.00 62.21 N ATOM 988 CA GLY A 69 10.116 -10.348 0.372 1.00 24.50 C ATOM 989 C GLY A 69 10.479 -9.418 1.514 1.00 44.20 C ATOM 990 O GLY A 69 11.054 -9.860 2.519 1.00 0.33 O ATOM 0 H GLY A 69 8.119 -10.109 -0.236 1.00 62.21 H new ATOM 0 HA2 GLY A 69 9.789 -11.310 0.767 1.00 24.50 H new ATOM 0 HA3 GLY A 69 10.995 -10.538 -0.244 1.00 24.50 H new ATOM 994 N ALA A 70 10.197 -8.091 1.364 1.00 24.20 N ATOM 995 CA ALA A 70 10.592 -7.113 2.345 1.00 45.22 C ATOM 996 C ALA A 70 9.834 -7.341 3.610 1.00 11.25 C ATOM 997 O ALA A 70 8.838 -8.062 3.650 1.00 15.05 O ATOM 998 CB ALA A 70 10.342 -5.655 1.901 1.00 53.34 C ATOM 0 H ALA A 70 9.697 -7.704 0.564 1.00 24.20 H new ATOM 0 HA ALA A 70 11.666 -7.241 2.482 1.00 45.22 H new ATOM 0 HB1 ALA A 70 10.663 -4.974 2.689 1.00 53.34 H new ATOM 0 HB2 ALA A 70 10.907 -5.450 0.992 1.00 53.34 H new ATOM 0 HB3 ALA A 70 9.279 -5.511 1.708 1.00 53.34 H new ATOM 1004 N THR A 71 10.322 -6.723 4.681 1.00 21.04 N ATOM 1005 CA THR A 71 9.716 -6.839 5.955 1.00 20.03 C ATOM 1006 C THR A 71 8.568 -5.844 5.992 1.00 23.54 C ATOM 1007 O THR A 71 8.548 -4.861 5.238 1.00 55.33 O ATOM 1008 CB THR A 71 10.715 -6.552 7.067 1.00 2.54 C ATOM 1009 OG1 THR A 71 11.512 -5.397 6.736 1.00 31.52 O ATOM 1010 CG2 THR A 71 11.647 -7.775 7.181 1.00 41.50 C ATOM 0 H THR A 71 11.153 -6.131 4.665 1.00 21.04 H new ATOM 0 HA THR A 71 9.355 -7.855 6.114 1.00 20.03 H new ATOM 0 HB THR A 71 10.187 -6.362 8.001 1.00 2.54 H new ATOM 0 HG1 THR A 71 12.149 -5.221 7.459 1.00 31.52 H new ATOM 0 HG21 THR A 71 12.378 -7.603 7.971 1.00 41.50 H new ATOM 0 HG22 THR A 71 11.058 -8.661 7.418 1.00 41.50 H new ATOM 0 HG23 THR A 71 12.165 -7.927 6.234 1.00 41.50 H new ATOM 1018 N HIS A 72 7.562 -6.122 6.851 1.00 54.02 N ATOM 1019 CA HIS A 72 6.360 -5.300 6.913 1.00 51.40 C ATOM 1020 C HIS A 72 6.744 -3.905 7.341 1.00 44.21 C ATOM 1021 O HIS A 72 6.216 -2.926 6.830 1.00 55.22 O ATOM 1022 CB HIS A 72 5.259 -5.853 7.853 1.00 71.34 C ATOM 1023 CG HIS A 72 5.600 -5.835 9.322 1.00 4.25 C ATOM 1024 ND1 HIS A 72 5.335 -4.766 10.125 1.00 20.31 N ATOM 1025 CD2 HIS A 72 6.140 -6.778 10.091 1.00 2.20 C ATOM 1026 CE1 HIS A 72 5.715 -5.055 11.353 1.00 22.34 C ATOM 1027 NE2 HIS A 72 6.204 -6.279 11.358 1.00 11.23 N ATOM 0 H HIS A 72 7.570 -6.907 7.502 1.00 54.02 H new ATOM 0 HA HIS A 72 5.925 -5.304 5.913 1.00 51.40 H new ATOM 0 HB2 HIS A 72 4.349 -5.273 7.701 1.00 71.34 H new ATOM 0 HB3 HIS A 72 5.036 -6.879 7.561 1.00 71.34 H new ATOM 0 HD2 HIS A 72 6.467 -7.756 9.771 1.00 2.20 H new ATOM 0 HE1 HIS A 72 5.639 -4.401 12.209 1.00 22.34 H new ATOM 0 HE2 HIS A 72 6.569 -6.771 12.174 1.00 11.23 H new ATOM 1036 N LYS A 73 7.729 -3.805 8.276 1.00 50.25 N ATOM 1037 CA LYS A 73 8.248 -2.516 8.724 1.00 3.23 C ATOM 1038 C LYS A 73 8.740 -1.714 7.540 1.00 65.40 C ATOM 1039 O LYS A 73 8.479 -0.517 7.455 1.00 24.31 O ATOM 1040 CB LYS A 73 9.417 -2.645 9.736 1.00 5.31 C ATOM 1041 CG LYS A 73 10.528 -3.621 9.296 1.00 62.01 C ATOM 1042 CD LYS A 73 11.660 -3.744 10.297 1.00 60.12 C ATOM 1043 CE LYS A 73 12.684 -2.611 10.165 1.00 32.42 C ATOM 1044 NZ LYS A 73 13.588 -2.588 11.315 1.00 24.43 N ATOM 0 H LYS A 73 8.168 -4.610 8.723 1.00 50.25 H new ATOM 0 HA LYS A 73 7.419 -2.017 9.225 1.00 3.23 H new ATOM 0 HB2 LYS A 73 9.856 -1.660 9.895 1.00 5.31 H new ATOM 0 HB3 LYS A 73 9.018 -2.975 10.695 1.00 5.31 H new ATOM 0 HG2 LYS A 73 10.091 -4.606 9.132 1.00 62.01 H new ATOM 0 HG3 LYS A 73 10.934 -3.289 8.340 1.00 62.01 H new ATOM 0 HD2 LYS A 73 11.250 -3.743 11.307 1.00 60.12 H new ATOM 0 HD3 LYS A 73 12.162 -4.701 10.158 1.00 60.12 H new ATOM 0 HE2 LYS A 73 13.259 -2.740 9.248 1.00 32.42 H new ATOM 0 HE3 LYS A 73 12.166 -1.655 10.085 1.00 32.42 H new ATOM 0 HZ1 LYS A 73 14.272 -1.813 11.203 1.00 24.43 H new ATOM 0 HZ2 LYS A 73 13.038 -2.442 12.186 1.00 24.43 H new ATOM 0 HZ3 LYS A 73 14.097 -3.493 11.375 1.00 24.43 H new ATOM 1058 N GLN A 74 9.468 -2.365 6.586 1.00 15.43 N ATOM 1059 CA GLN A 74 10.055 -1.665 5.467 1.00 41.15 C ATOM 1060 C GLN A 74 8.952 -1.144 4.611 1.00 51.24 C ATOM 1061 O GLN A 74 9.027 -0.037 4.129 1.00 52.43 O ATOM 1062 CB GLN A 74 10.939 -2.609 4.584 1.00 51.01 C ATOM 1063 CG GLN A 74 11.670 -1.907 3.421 1.00 51.51 C ATOM 1064 CD GLN A 74 12.637 -0.896 4.014 1.00 23.42 C ATOM 1065 OE1 GLN A 74 13.463 -1.244 4.850 1.00 60.41 O ATOM 1066 NE2 GLN A 74 12.548 0.366 3.596 1.00 3.12 N ATOM 0 H GLN A 74 9.646 -3.369 6.594 1.00 15.43 H new ATOM 0 HA GLN A 74 10.685 -0.867 5.860 1.00 41.15 H new ATOM 0 HB2 GLN A 74 11.679 -3.092 5.222 1.00 51.01 H new ATOM 0 HB3 GLN A 74 10.308 -3.398 4.175 1.00 51.01 H new ATOM 0 HG2 GLN A 74 12.206 -2.636 2.813 1.00 51.51 H new ATOM 0 HG3 GLN A 74 10.954 -1.410 2.766 1.00 51.51 H new ATOM 0 HE21 GLN A 74 11.850 0.624 2.899 1.00 3.12 H new ATOM 0 HE22 GLN A 74 13.178 1.074 3.973 1.00 3.12 H new ATOM 1075 N ALA A 75 7.881 -1.941 4.422 1.00 12.33 N ATOM 1076 CA ALA A 75 6.757 -1.533 3.590 1.00 13.13 C ATOM 1077 C ALA A 75 6.193 -0.208 4.087 1.00 31.32 C ATOM 1078 O ALA A 75 5.857 0.659 3.293 1.00 31.12 O ATOM 1079 CB ALA A 75 5.633 -2.566 3.586 1.00 42.41 C ATOM 0 H ALA A 75 7.781 -2.867 4.838 1.00 12.33 H new ATOM 0 HA ALA A 75 7.138 -1.434 2.573 1.00 13.13 H new ATOM 0 HB1 ALA A 75 4.819 -2.215 2.952 1.00 42.41 H new ATOM 0 HB2 ALA A 75 6.011 -3.513 3.201 1.00 42.41 H new ATOM 0 HB3 ALA A 75 5.266 -2.708 4.602 1.00 42.41 H new ATOM 1085 N VAL A 76 6.114 -0.023 5.426 1.00 3.21 N ATOM 1086 CA VAL A 76 5.565 1.217 5.961 1.00 50.23 C ATOM 1087 C VAL A 76 6.597 2.303 5.759 1.00 23.23 C ATOM 1088 O VAL A 76 6.322 3.347 5.171 1.00 10.22 O ATOM 1089 CB VAL A 76 5.292 1.145 7.476 1.00 43.03 C ATOM 1090 CG1 VAL A 76 4.707 2.497 7.955 1.00 52.22 C ATOM 1091 CG2 VAL A 76 4.362 -0.036 7.774 1.00 24.25 C ATOM 0 H VAL A 76 6.416 -0.701 6.126 1.00 3.21 H new ATOM 0 HA VAL A 76 4.623 1.408 5.446 1.00 50.23 H new ATOM 0 HB VAL A 76 6.218 0.974 8.026 1.00 43.03 H new ATOM 0 HG11 VAL A 76 4.512 2.450 9.026 1.00 52.22 H new ATOM 0 HG12 VAL A 76 5.421 3.295 7.750 1.00 52.22 H new ATOM 0 HG13 VAL A 76 3.776 2.698 7.426 1.00 52.22 H new ATOM 0 HG21 VAL A 76 4.170 -0.086 8.846 1.00 24.25 H new ATOM 0 HG22 VAL A 76 3.420 0.099 7.242 1.00 24.25 H new ATOM 0 HG23 VAL A 76 4.834 -0.962 7.446 1.00 24.25 H new ATOM 1101 N CYS A 77 7.810 2.058 6.297 1.00 1.23 N ATOM 1102 CA CYS A 77 8.823 3.155 6.425 1.00 44.33 C ATOM 1103 C CYS A 77 9.207 3.644 5.013 1.00 33.11 C ATOM 1104 O CYS A 77 9.786 4.687 4.838 1.00 31.34 O ATOM 1105 CB CYS A 77 10.042 2.732 7.261 1.00 64.20 C ATOM 1106 SG CYS A 77 9.489 2.346 8.984 1.00 74.12 S ATOM 0 H CYS A 77 8.116 1.148 6.642 1.00 1.23 H new ATOM 0 HA CYS A 77 8.382 3.986 6.975 1.00 44.33 H new ATOM 0 HB2 CYS A 77 10.520 1.860 6.815 1.00 64.20 H new ATOM 0 HB3 CYS A 77 10.784 3.530 7.274 1.00 64.20 H new ATOM 0 HG CYS A 77 8.951 1.163 9.012 1.00 74.12 H new ATOM 1111 N THR A 78 9.061 2.749 4.008 1.00 33.32 N ATOM 1112 CA THR A 78 9.399 3.090 2.625 1.00 3.23 C ATOM 1113 C THR A 78 8.518 4.248 2.209 1.00 32.42 C ATOM 1114 O THR A 78 9.016 5.252 1.779 1.00 63.13 O ATOM 1115 CB THR A 78 9.231 1.941 1.635 1.00 70.32 C ATOM 1116 OG1 THR A 78 10.132 0.897 1.977 1.00 71.22 O ATOM 1117 CG2 THR A 78 9.558 2.437 0.201 1.00 71.44 C ATOM 0 H THR A 78 8.715 1.798 4.136 1.00 33.32 H new ATOM 0 HA THR A 78 10.459 3.343 2.601 1.00 3.23 H new ATOM 0 HB THR A 78 8.204 1.578 1.672 1.00 70.32 H new ATOM 0 HG1 THR A 78 9.958 0.602 2.895 1.00 71.22 H new ATOM 0 HG21 THR A 78 9.437 1.615 -0.505 1.00 71.44 H new ATOM 0 HG22 THR A 78 8.880 3.248 -0.067 1.00 71.44 H new ATOM 0 HG23 THR A 78 10.586 2.797 0.166 1.00 71.44 H new ATOM 1125 N LEU A 79 7.178 4.115 2.378 1.00 13.42 N ATOM 1126 CA LEU A 79 6.229 5.176 1.989 1.00 41.23 C ATOM 1127 C LEU A 79 6.612 6.474 2.673 1.00 22.21 C ATOM 1128 O LEU A 79 6.804 7.497 2.041 1.00 1.05 O ATOM 1129 CB LEU A 79 4.760 4.848 2.356 1.00 13.43 C ATOM 1130 CG LEU A 79 4.258 3.516 1.754 1.00 62.44 C ATOM 1131 CD1 LEU A 79 2.802 3.197 2.157 1.00 61.11 C ATOM 1132 CD2 LEU A 79 4.489 3.415 0.228 1.00 14.43 C ATOM 0 H LEU A 79 6.738 3.287 2.779 1.00 13.42 H new ATOM 0 HA LEU A 79 6.289 5.261 0.904 1.00 41.23 H new ATOM 0 HB2 LEU A 79 4.665 4.806 3.441 1.00 13.43 H new ATOM 0 HB3 LEU A 79 4.118 5.658 2.011 1.00 13.43 H new ATOM 0 HG LEU A 79 4.877 2.737 2.198 1.00 62.44 H new ATOM 0 HD11 LEU A 79 2.499 2.251 1.708 1.00 61.11 H new ATOM 0 HD12 LEU A 79 2.733 3.122 3.242 1.00 61.11 H new ATOM 0 HD13 LEU A 79 2.145 3.993 1.806 1.00 61.11 H new ATOM 0 HD21 LEU A 79 4.115 2.457 -0.134 1.00 14.43 H new ATOM 0 HD22 LEU A 79 3.960 4.225 -0.274 1.00 14.43 H new ATOM 0 HD23 LEU A 79 5.555 3.492 0.016 1.00 14.43 H new ATOM 1144 N ARG A 80 6.714 6.434 3.995 1.00 4.03 N ATOM 1145 CA ARG A 80 7.172 7.598 4.772 1.00 31.34 C ATOM 1146 C ARG A 80 8.456 8.219 4.184 1.00 74.32 C ATOM 1147 O ARG A 80 8.616 9.434 4.197 1.00 14.25 O ATOM 1148 CB ARG A 80 7.413 7.276 6.254 1.00 0.14 C ATOM 1149 CG ARG A 80 6.296 6.418 6.852 1.00 62.32 C ATOM 1150 CD ARG A 80 6.365 6.291 8.373 1.00 1.51 C ATOM 1151 NE ARG A 80 5.896 7.598 8.966 1.00 30.22 N ATOM 1152 CZ ARG A 80 4.929 7.629 9.961 1.00 23.43 C ATOM 1153 NH1 ARG A 80 4.508 6.466 10.553 1.00 42.11 N ATOM 1154 NH2 ARG A 80 4.393 8.826 10.349 1.00 21.51 N ATOM 0 H ARG A 80 6.488 5.614 4.558 1.00 4.03 H new ATOM 0 HA ARG A 80 6.356 8.317 4.704 1.00 31.34 H new ATOM 0 HB2 ARG A 80 8.364 6.755 6.360 1.00 0.14 H new ATOM 0 HB3 ARG A 80 7.494 8.206 6.817 1.00 0.14 H new ATOM 0 HG2 ARG A 80 5.333 6.847 6.576 1.00 62.32 H new ATOM 0 HG3 ARG A 80 6.339 5.422 6.411 1.00 62.32 H new ATOM 0 HD2 ARG A 80 5.738 5.468 8.717 1.00 1.51 H new ATOM 0 HD3 ARG A 80 7.384 6.070 8.692 1.00 1.51 H new ATOM 0 HE ARG A 80 6.297 8.473 8.629 1.00 30.22 H new ATOM 0 HH11 ARG A 80 4.906 5.573 10.263 1.00 42.11 H new ATOM 0 HH12 ARG A 80 3.797 6.494 11.284 1.00 42.11 H new ATOM 0 HH21 ARG A 80 4.704 9.691 9.907 1.00 21.51 H new ATOM 0 HH22 ARG A 80 3.682 8.853 11.080 1.00 21.51 H new ATOM 1168 N ASN A 81 9.379 7.388 3.654 1.00 21.24 N ATOM 1169 CA ASN A 81 10.667 7.888 3.159 1.00 72.30 C ATOM 1170 C ASN A 81 10.552 8.263 1.670 1.00 72.52 C ATOM 1171 O ASN A 81 11.470 8.875 1.115 1.00 54.25 O ATOM 1172 CB ASN A 81 11.814 6.832 3.302 1.00 62.35 C ATOM 1173 CG ASN A 81 13.173 7.505 3.043 1.00 2.42 C ATOM 1174 OD1 ASN A 81 13.814 7.276 2.004 1.00 72.30 O ATOM 1175 ND2 ASN A 81 13.635 8.353 3.990 1.00 32.25 N ATOM 0 H ASN A 81 9.253 6.380 3.561 1.00 21.24 H new ATOM 0 HA ASN A 81 10.915 8.759 3.766 1.00 72.30 H new ATOM 0 HB2 ASN A 81 11.798 6.396 4.301 1.00 62.35 H new ATOM 0 HB3 ASN A 81 11.661 6.016 2.596 1.00 62.35 H new ATOM 0 HD21 ASN A 81 14.531 8.823 3.860 1.00 32.25 H new ATOM 0 HD22 ASN A 81 13.087 8.522 4.834 1.00 32.25 H new ATOM 1182 N THR A 82 9.431 7.915 0.993 1.00 55.11 N ATOM 1183 CA THR A 82 9.307 8.234 -0.430 1.00 71.20 C ATOM 1184 C THR A 82 8.871 9.695 -0.544 1.00 64.34 C ATOM 1185 O THR A 82 8.730 10.403 0.459 1.00 45.12 O ATOM 1186 CB THR A 82 8.371 7.330 -1.256 1.00 32.25 C ATOM 1187 OG1 THR A 82 7.162 7.041 -0.574 1.00 2.11 O ATOM 1188 CG2 THR A 82 9.079 6.013 -1.563 1.00 52.44 C ATOM 0 H THR A 82 8.631 7.431 1.401 1.00 55.11 H new ATOM 0 HA THR A 82 10.288 8.051 -0.869 1.00 71.20 H new ATOM 0 HB THR A 82 8.126 7.869 -2.171 1.00 32.25 H new ATOM 0 HG1 THR A 82 7.139 7.532 0.274 1.00 2.11 H new ATOM 0 HG21 THR A 82 8.418 5.372 -2.147 1.00 52.44 H new ATOM 0 HG22 THR A 82 9.987 6.212 -2.132 1.00 52.44 H new ATOM 0 HG23 THR A 82 9.338 5.513 -0.630 1.00 52.44 H new ATOM 1196 N GLY A 83 8.712 10.178 -1.794 1.00 4.52 N ATOM 1197 CA GLY A 83 8.471 11.582 -2.053 1.00 33.12 C ATOM 1198 C GLY A 83 7.040 11.907 -1.789 1.00 12.52 C ATOM 1199 O GLY A 83 6.297 11.130 -1.174 1.00 71.20 O ATOM 0 H GLY A 83 8.749 9.599 -2.633 1.00 4.52 H new ATOM 0 HA2 GLY A 83 9.115 12.193 -1.421 1.00 33.12 H new ATOM 0 HA3 GLY A 83 8.722 11.819 -3.087 1.00 33.12 H new ATOM 1203 N GLN A 84 6.611 13.096 -2.247 1.00 2.12 N ATOM 1204 CA GLN A 84 5.269 13.553 -2.012 1.00 31.02 C ATOM 1205 C GLN A 84 4.399 12.864 -3.006 1.00 71.32 C ATOM 1206 O GLN A 84 3.281 12.487 -2.694 1.00 54.12 O ATOM 1207 CB GLN A 84 5.100 15.089 -2.183 1.00 74.11 C ATOM 1208 CG GLN A 84 3.661 15.588 -1.909 1.00 12.22 C ATOM 1209 CD GLN A 84 3.666 17.110 -1.917 1.00 21.22 C ATOM 1210 OE1 GLN A 84 3.211 17.744 -2.873 1.00 11.44 O ATOM 1211 NE2 GLN A 84 4.185 17.714 -0.842 1.00 44.42 N ATOM 0 H GLN A 84 7.190 13.744 -2.781 1.00 2.12 H new ATOM 0 HA GLN A 84 5.004 13.325 -0.979 1.00 31.02 H new ATOM 0 HB2 GLN A 84 5.787 15.599 -1.508 1.00 74.11 H new ATOM 0 HB3 GLN A 84 5.385 15.367 -3.198 1.00 74.11 H new ATOM 0 HG2 GLN A 84 2.978 15.208 -2.668 1.00 12.22 H new ATOM 0 HG3 GLN A 84 3.308 15.216 -0.947 1.00 12.22 H new ATOM 0 HE21 GLN A 84 4.552 17.156 -0.071 1.00 44.42 H new ATOM 0 HE22 GLN A 84 4.214 18.732 -0.794 1.00 44.42 H new ATOM 1220 N VAL A 85 4.917 12.654 -4.221 1.00 15.24 N ATOM 1221 CA VAL A 85 4.170 11.969 -5.228 1.00 52.54 C ATOM 1222 C VAL A 85 4.973 10.748 -5.467 1.00 31.40 C ATOM 1223 O VAL A 85 6.181 10.837 -5.639 1.00 75.14 O ATOM 1224 CB VAL A 85 4.043 12.741 -6.530 1.00 33.43 C ATOM 1225 CG1 VAL A 85 3.165 11.930 -7.517 1.00 52.33 C ATOM 1226 CG2 VAL A 85 3.458 14.133 -6.206 1.00 72.52 C ATOM 0 H VAL A 85 5.848 12.955 -4.510 1.00 15.24 H new ATOM 0 HA VAL A 85 3.145 11.799 -4.900 1.00 52.54 H new ATOM 0 HB VAL A 85 5.009 12.887 -7.013 1.00 33.43 H new ATOM 0 HG11 VAL A 85 3.070 12.478 -8.454 1.00 52.33 H new ATOM 0 HG12 VAL A 85 3.631 10.963 -7.708 1.00 52.33 H new ATOM 0 HG13 VAL A 85 2.177 11.777 -7.084 1.00 52.33 H new ATOM 0 HG21 VAL A 85 3.357 14.708 -7.126 1.00 72.52 H new ATOM 0 HG22 VAL A 85 2.479 14.017 -5.741 1.00 72.52 H new ATOM 0 HG23 VAL A 85 4.125 14.658 -5.522 1.00 72.52 H new ATOM 1236 N VAL A 86 4.346 9.573 -5.400 1.00 61.23 N ATOM 1237 CA VAL A 86 5.081 8.349 -5.511 1.00 62.35 C ATOM 1238 C VAL A 86 4.239 7.485 -6.362 1.00 3.42 C ATOM 1239 O VAL A 86 3.017 7.627 -6.355 1.00 53.33 O ATOM 1240 CB VAL A 86 5.284 7.646 -4.169 1.00 12.44 C ATOM 1241 CG1 VAL A 86 6.320 6.507 -4.324 1.00 42.51 C ATOM 1242 CG2 VAL A 86 5.724 8.701 -3.139 1.00 43.54 C ATOM 0 H VAL A 86 3.341 9.461 -5.270 1.00 61.23 H new ATOM 0 HA VAL A 86 6.076 8.548 -5.908 1.00 62.35 H new ATOM 0 HB VAL A 86 4.359 7.186 -3.822 1.00 12.44 H new ATOM 0 HG11 VAL A 86 6.460 6.010 -3.364 1.00 42.51 H new ATOM 0 HG12 VAL A 86 5.960 5.785 -5.057 1.00 42.51 H new ATOM 0 HG13 VAL A 86 7.270 6.923 -4.660 1.00 42.51 H new ATOM 0 HG21 VAL A 86 5.876 8.223 -2.171 1.00 43.54 H new ATOM 0 HG22 VAL A 86 6.656 9.162 -3.466 1.00 43.54 H new ATOM 0 HG23 VAL A 86 4.953 9.466 -3.049 1.00 43.54 H new ATOM 1252 N HIS A 87 4.866 6.568 -7.096 1.00 63.54 N ATOM 1253 CA HIS A 87 4.127 5.642 -7.914 1.00 34.05 C ATOM 1254 C HIS A 87 4.025 4.422 -7.084 1.00 70.33 C ATOM 1255 O HIS A 87 5.018 3.938 -6.589 1.00 14.22 O ATOM 1256 CB HIS A 87 4.805 5.264 -9.253 1.00 71.03 C ATOM 1257 CG HIS A 87 4.877 6.418 -10.214 1.00 11.35 C ATOM 1258 ND1 HIS A 87 5.763 7.452 -10.067 1.00 13.14 N ATOM 1259 CD2 HIS A 87 4.109 6.702 -11.284 1.00 43.20 C ATOM 1260 CE1 HIS A 87 5.528 8.337 -11.026 1.00 1.40 C ATOM 1261 NE2 HIS A 87 4.525 7.899 -11.772 1.00 12.14 N ATOM 0 H HIS A 87 5.879 6.456 -7.133 1.00 63.54 H new ATOM 0 HA HIS A 87 3.179 6.099 -8.198 1.00 34.05 H new ATOM 0 HB2 HIS A 87 5.813 4.898 -9.055 1.00 71.03 H new ATOM 0 HB3 HIS A 87 4.254 4.445 -9.716 1.00 71.03 H new ATOM 0 HD2 HIS A 87 3.311 6.091 -11.680 1.00 43.20 H new ATOM 0 HE1 HIS A 87 6.065 9.262 -11.174 1.00 1.40 H new ATOM 0 HE2 HIS A 87 4.130 8.381 -12.580 1.00 12.14 H new ATOM 1270 N LEU A 88 2.816 3.959 -6.843 1.00 24.04 N ATOM 1271 CA LEU A 88 2.615 2.795 -6.035 1.00 54.04 C ATOM 1272 C LEU A 88 1.952 1.811 -6.920 1.00 13.03 C ATOM 1273 O LEU A 88 1.112 2.180 -7.748 1.00 23.40 O ATOM 1274 CB LEU A 88 1.702 3.049 -4.813 1.00 1.35 C ATOM 1275 CG LEU A 88 2.200 4.205 -3.905 1.00 41.13 C ATOM 1276 CD1 LEU A 88 1.150 4.620 -2.866 1.00 24.20 C ATOM 1277 CD2 LEU A 88 3.574 3.916 -3.271 1.00 14.30 C ATOM 0 H LEU A 88 1.959 4.380 -7.202 1.00 24.04 H new ATOM 0 HA LEU A 88 3.573 2.461 -5.638 1.00 54.04 H new ATOM 0 HB2 LEU A 88 0.695 3.278 -5.162 1.00 1.35 H new ATOM 0 HB3 LEU A 88 1.635 2.135 -4.222 1.00 1.35 H new ATOM 0 HG LEU A 88 2.347 5.065 -4.559 1.00 41.13 H new ATOM 0 HD11 LEU A 88 1.544 5.432 -2.254 1.00 24.20 H new ATOM 0 HD12 LEU A 88 0.247 4.955 -3.376 1.00 24.20 H new ATOM 0 HD13 LEU A 88 0.912 3.768 -2.229 1.00 24.20 H new ATOM 0 HD21 LEU A 88 3.871 4.759 -2.647 1.00 14.30 H new ATOM 0 HD22 LEU A 88 3.510 3.016 -2.659 1.00 14.30 H new ATOM 0 HD23 LEU A 88 4.314 3.768 -4.058 1.00 14.30 H new ATOM 1289 N LEU A 89 2.336 0.545 -6.797 1.00 75.02 N ATOM 1290 CA LEU A 89 1.770 -0.472 -7.623 1.00 40.31 C ATOM 1291 C LEU A 89 1.017 -1.345 -6.696 1.00 3.02 C ATOM 1292 O LEU A 89 1.578 -1.827 -5.691 1.00 32.35 O ATOM 1293 CB LEU A 89 2.843 -1.305 -8.352 1.00 1.21 C ATOM 1294 CG LEU A 89 2.305 -2.293 -9.404 1.00 11.04 C ATOM 1295 CD1 LEU A 89 1.320 -1.644 -10.378 1.00 22.55 C ATOM 1296 CD2 LEU A 89 3.450 -2.996 -10.145 1.00 53.31 C ATOM 0 H LEU A 89 3.035 0.217 -6.131 1.00 75.02 H new ATOM 0 HA LEU A 89 1.150 -0.028 -8.402 1.00 40.31 H new ATOM 0 HB2 LEU A 89 3.539 -0.623 -8.840 1.00 1.21 H new ATOM 0 HB3 LEU A 89 3.412 -1.864 -7.609 1.00 1.21 H new ATOM 0 HG LEU A 89 1.742 -3.051 -8.859 1.00 11.04 H new ATOM 0 HD11 LEU A 89 0.975 -2.388 -11.096 1.00 22.55 H new ATOM 0 HD12 LEU A 89 0.467 -1.250 -9.825 1.00 22.55 H new ATOM 0 HD13 LEU A 89 1.815 -0.831 -10.908 1.00 22.55 H new ATOM 0 HD21 LEU A 89 3.038 -3.687 -10.881 1.00 53.31 H new ATOM 0 HD22 LEU A 89 4.067 -2.253 -10.651 1.00 53.31 H new ATOM 0 HD23 LEU A 89 4.060 -3.549 -9.431 1.00 53.31 H new ATOM 1308 N LEU A 90 -0.280 -1.532 -6.966 1.00 11.25 N ATOM 1309 CA LEU A 90 -1.106 -2.241 -6.043 1.00 33.31 C ATOM 1310 C LEU A 90 -1.876 -3.241 -6.807 1.00 41.11 C ATOM 1311 O LEU A 90 -2.071 -3.123 -8.017 1.00 12.11 O ATOM 1312 CB LEU A 90 -2.111 -1.368 -5.254 1.00 0.22 C ATOM 1313 CG LEU A 90 -1.455 -0.272 -4.389 1.00 40.14 C ATOM 1314 CD1 LEU A 90 -1.273 1.058 -5.144 1.00 50.43 C ATOM 1315 CD2 LEU A 90 -2.173 -0.083 -3.052 1.00 74.03 C ATOM 0 H LEU A 90 -0.753 -1.201 -7.807 1.00 11.25 H new ATOM 0 HA LEU A 90 -0.435 -2.675 -5.302 1.00 33.31 H new ATOM 0 HB2 LEU A 90 -2.797 -0.897 -5.958 1.00 0.22 H new ATOM 0 HB3 LEU A 90 -2.709 -2.014 -4.610 1.00 0.22 H new ATOM 0 HG LEU A 90 -0.451 -0.630 -4.161 1.00 40.14 H new ATOM 0 HD11 LEU A 90 -0.807 1.790 -4.484 1.00 50.43 H new ATOM 0 HD12 LEU A 90 -0.637 0.898 -6.015 1.00 50.43 H new ATOM 0 HD13 LEU A 90 -2.246 1.429 -5.468 1.00 50.43 H new ATOM 0 HD21 LEU A 90 -1.675 0.699 -2.479 1.00 74.03 H new ATOM 0 HD22 LEU A 90 -3.209 0.204 -3.233 1.00 74.03 H new ATOM 0 HD23 LEU A 90 -2.148 -1.017 -2.490 1.00 74.03 H new ATOM 1327 N GLU A 91 -2.315 -4.267 -6.098 1.00 31.11 N ATOM 1328 CA GLU A 91 -3.107 -5.292 -6.628 1.00 34.21 C ATOM 1329 C GLU A 91 -4.308 -5.281 -5.749 1.00 32.42 C ATOM 1330 O GLU A 91 -4.189 -5.215 -4.534 1.00 11.00 O ATOM 1331 CB GLU A 91 -2.432 -6.677 -6.486 1.00 22.34 C ATOM 1332 CG GLU A 91 -3.254 -7.852 -7.021 1.00 62.45 C ATOM 1333 CD GLU A 91 -2.552 -9.113 -6.600 1.00 14.22 C ATOM 1334 OE1 GLU A 91 -2.438 -9.346 -5.374 1.00 52.12 O ATOM 1335 OE2 GLU A 91 -2.091 -9.868 -7.469 1.00 62.31 O ATOM 0 H GLU A 91 -2.106 -4.386 -5.107 1.00 31.11 H new ATOM 0 HA GLU A 91 -3.302 -5.137 -7.689 1.00 34.21 H new ATOM 0 HB2 GLU A 91 -1.475 -6.654 -7.008 1.00 22.34 H new ATOM 0 HB3 GLU A 91 -2.216 -6.853 -5.432 1.00 22.34 H new ATOM 0 HG2 GLU A 91 -4.268 -7.825 -6.623 1.00 62.45 H new ATOM 0 HG3 GLU A 91 -3.336 -7.801 -8.107 1.00 62.45 H new