USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 65 SER OG : rot 163:sc= -0.397 USER MOD Set 1.2: A 87 MET CE :methyl 158:sc= -2.88 (180deg=-2.59!) USER MOD Set 2.1: A 46 SER OG : rot 114:sc= 1.14 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.3: A 49 SER OG : rot -162:sc= 0.982 USER MOD Set 2.4: A 105 GLN : amide:sc= 0 K(o=3.1,f=1.6) USER MOD Single : A 44 ASN : amide:sc= -10.8! C(o=-11!,f=-5.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 145:sc= 0.144 USER MOD Single : A 73 SER OG : rot -20:sc= 0.239 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0685 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -107:sc=-0.000893 (180deg=-0.158) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -3.63! C(o=-3.6!,f=-3.1!) USER MOD Single : A 108 MET CE :methyl 156:sc= -1.44 (180deg=-3.09!) USER MOD Single : A 110 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.0047) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 38 -0.495 16.114 -1.107 1.00 0.00 N ATOM 78 CA GLY A 38 -0.958 14.861 -1.675 1.00 0.00 C ATOM 79 C GLY A 38 -0.612 13.668 -0.807 1.00 0.00 C ATOM 80 O GLY A 38 -0.198 12.624 -1.311 1.00 0.00 O ATOM 0 HA2 GLY A 38 -2.038 14.905 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.516 14.728 -2.663 1.00 0.00 H new ATOM 84 N ARG A 39 -0.780 13.822 0.503 1.00 0.00 N ATOM 85 CA ARG A 39 -0.479 12.749 1.443 1.00 0.00 C ATOM 86 C ARG A 39 -1.631 11.751 1.515 1.00 0.00 C ATOM 87 O ARG A 39 -2.799 12.125 1.400 1.00 0.00 O ATOM 88 CB ARG A 39 -0.201 13.324 2.833 1.00 0.00 C ATOM 89 CG ARG A 39 0.226 12.278 3.850 1.00 0.00 C ATOM 90 CD ARG A 39 0.744 12.921 5.127 1.00 0.00 C ATOM 91 NE ARG A 39 1.337 11.941 6.032 1.00 0.00 N ATOM 92 CZ ARG A 39 1.827 12.247 7.228 1.00 0.00 C ATOM 93 NH1 ARG A 39 1.795 13.500 7.661 1.00 0.00 N ATOM 94 NH2 ARG A 39 2.350 11.299 7.995 1.00 0.00 N ATOM 0 H ARG A 39 -1.123 14.679 0.937 1.00 0.00 H new ATOM 0 HA ARG A 39 0.410 12.227 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.579 14.082 2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.098 13.826 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.619 11.631 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.002 11.646 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.487 13.678 4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.075 13.433 5.633 1.00 0.00 H new ATOM 0 HE ARG A 39 1.377 10.968 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.393 14.232 7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.172 13.732 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.376 10.334 7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.726 11.536 8.913 1.00 0.00 H new ATOM 108 N LEU A 40 -1.294 10.480 1.704 1.00 0.00 N ATOM 109 CA LEU A 40 -2.299 9.426 1.790 1.00 0.00 C ATOM 110 C LEU A 40 -1.855 8.327 2.750 1.00 0.00 C ATOM 111 O LEU A 40 -0.668 8.192 3.049 1.00 0.00 O ATOM 112 CB LEU A 40 -2.566 8.834 0.406 1.00 0.00 C ATOM 113 CG LEU A 40 -3.072 9.810 -0.656 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.886 9.228 -2.049 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.534 10.155 -0.411 1.00 0.00 C ATOM 0 H LEU A 40 -0.332 10.154 1.801 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.220 9.866 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.644 8.380 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.297 8.032 0.511 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.487 10.727 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.252 9.937 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.828 9.033 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.445 8.296 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.877 10.851 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.134 9.246 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.639 10.616 0.571 1.00 0.00 H new ATOM 127 N PHE A 41 -2.815 7.542 3.227 1.00 0.00 N ATOM 128 CA PHE A 41 -2.522 6.453 4.152 1.00 0.00 C ATOM 129 C PHE A 41 -2.684 5.099 3.467 1.00 0.00 C ATOM 130 O PHE A 41 -3.687 4.844 2.800 1.00 0.00 O ATOM 131 CB PHE A 41 -3.441 6.532 5.373 1.00 0.00 C ATOM 132 CG PHE A 41 -3.086 5.552 6.455 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.781 5.446 6.910 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.056 4.738 7.016 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.451 4.546 7.906 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.731 3.836 8.012 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.427 3.739 8.457 1.00 0.00 C ATOM 0 H PHE A 41 -3.802 7.639 2.989 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.487 6.555 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.403 7.542 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.469 6.355 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.013 6.074 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.077 4.809 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.431 4.474 8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.497 3.207 8.442 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.171 3.034 9.234 1.00 0.00 H new ATOM 147 N VAL A 42 -1.689 4.235 3.635 1.00 0.00 N ATOM 148 CA VAL A 42 -1.720 2.907 3.034 1.00 0.00 C ATOM 149 C VAL A 42 -1.342 1.834 4.050 1.00 0.00 C ATOM 150 O VAL A 42 -0.356 1.971 4.774 1.00 0.00 O ATOM 151 CB VAL A 42 -0.766 2.814 1.828 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.929 1.479 1.119 1.00 0.00 C ATOM 153 CG2 VAL A 42 -1.008 3.970 0.868 1.00 0.00 C ATOM 0 H VAL A 42 -0.851 4.431 4.183 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.742 2.738 2.694 1.00 0.00 H new ATOM 0 HB VAL A 42 0.259 2.881 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.247 1.432 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.702 0.669 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.955 1.377 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.326 3.889 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.037 3.936 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.835 4.914 1.384 1.00 0.00 H new ATOM 163 N ARG A 43 -2.133 0.767 4.097 1.00 0.00 N ATOM 164 CA ARG A 43 -1.882 -0.329 5.025 1.00 0.00 C ATOM 165 C ARG A 43 -1.988 -1.676 4.316 1.00 0.00 C ATOM 166 O ARG A 43 -2.308 -1.741 3.130 1.00 0.00 O ATOM 167 CB ARG A 43 -2.871 -0.274 6.191 1.00 0.00 C ATOM 168 CG ARG A 43 -4.269 -0.746 5.826 1.00 0.00 C ATOM 169 CD ARG A 43 -5.065 -1.138 7.061 1.00 0.00 C ATOM 170 NE ARG A 43 -5.212 -0.024 7.994 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.095 -0.009 8.986 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.905 -1.041 9.174 1.00 0.00 N ATOM 173 NH2 ARG A 43 -6.169 1.042 9.794 1.00 0.00 N ATOM 0 H ARG A 43 -2.953 0.638 3.504 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.869 -0.221 5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.491 -0.888 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.927 0.750 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.793 0.045 5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.201 -1.598 5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.051 -1.491 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.569 -1.969 7.563 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.604 0.786 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.852 -1.851 8.556 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.582 -1.026 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.548 1.838 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.847 1.053 10.556 1.00 0.00 H new ATOM 187 N ASN A 44 -1.716 -2.749 5.052 1.00 0.00 N ATOM 188 CA ASN A 44 -1.780 -4.095 4.494 1.00 0.00 C ATOM 189 C ASN A 44 -0.644 -4.327 3.503 1.00 0.00 C ATOM 190 O ASN A 44 -0.872 -4.749 2.368 1.00 0.00 O ATOM 191 CB ASN A 44 -3.127 -4.320 3.805 1.00 0.00 C ATOM 192 CG ASN A 44 -3.547 -5.778 3.818 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.863 -6.335 4.870 1.00 0.00 O ATOM 194 ND2 ASN A 44 -3.550 -6.403 2.647 1.00 0.00 N ATOM 0 H ASN A 44 -1.449 -2.713 6.036 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.675 -4.807 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.890 -3.720 4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.067 -3.971 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.822 -7.385 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.281 -5.902 1.801 1.00 0.00 H new ATOM 201 N LEU A 45 0.580 -4.048 3.937 1.00 0.00 N ATOM 202 CA LEU A 45 1.753 -4.226 3.089 1.00 0.00 C ATOM 203 C LEU A 45 2.383 -5.597 3.313 1.00 0.00 C ATOM 204 O LEU A 45 2.630 -6.000 4.450 1.00 0.00 O ATOM 205 CB LEU A 45 2.780 -3.128 3.367 1.00 0.00 C ATOM 206 CG LEU A 45 2.652 -1.860 2.523 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.879 -2.172 1.052 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.289 -1.217 2.729 1.00 0.00 C ATOM 0 H LEU A 45 0.786 -3.697 4.872 1.00 0.00 H new ATOM 0 HA LEU A 45 1.433 -4.159 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.709 -2.849 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.776 -3.543 3.214 1.00 0.00 H new ATOM 0 HG LEU A 45 3.417 -1.154 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.784 -1.257 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.878 -2.586 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.138 -2.897 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.216 -0.316 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.508 -1.918 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.165 -0.956 3.780 1.00 0.00 H new ATOM 220 N SER A 46 2.644 -6.308 2.221 1.00 0.00 N ATOM 221 CA SER A 46 3.245 -7.635 2.298 1.00 0.00 C ATOM 222 C SER A 46 4.727 -7.541 2.647 1.00 0.00 C ATOM 223 O SER A 46 5.505 -6.904 1.936 1.00 0.00 O ATOM 224 CB SER A 46 3.068 -8.376 0.971 1.00 0.00 C ATOM 225 OG SER A 46 3.954 -7.874 -0.015 1.00 0.00 O ATOM 0 H SER A 46 2.449 -5.988 1.272 1.00 0.00 H new ATOM 0 HA SER A 46 2.738 -8.191 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.248 -9.441 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.039 -8.272 0.627 1.00 0.00 H new ATOM 0 HG SER A 46 4.610 -8.564 -0.248 1.00 0.00 H new ATOM 231 N TYR A 47 5.110 -8.178 3.748 1.00 0.00 N ATOM 232 CA TYR A 47 6.498 -8.165 4.195 1.00 0.00 C ATOM 233 C TYR A 47 7.445 -8.476 3.040 1.00 0.00 C ATOM 234 O TYR A 47 8.620 -8.108 3.067 1.00 0.00 O ATOM 235 CB TYR A 47 6.702 -9.176 5.324 1.00 0.00 C ATOM 236 CG TYR A 47 5.487 -9.352 6.206 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.038 -8.319 7.018 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.787 -10.552 6.226 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.929 -8.475 7.827 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.676 -10.718 7.030 1.00 0.00 C ATOM 241 CZ TYR A 47 3.251 -9.677 7.829 1.00 0.00 C ATOM 242 OH TYR A 47 2.145 -9.836 8.631 1.00 0.00 O ATOM 0 H TYR A 47 4.479 -8.710 4.347 1.00 0.00 H new ATOM 0 HA TYR A 47 6.724 -7.166 4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.970 -10.140 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.544 -8.857 5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.565 -7.376 7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.117 -11.369 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.595 -7.661 8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.143 -11.657 7.033 1.00 0.00 H new ATOM 0 HH TYR A 47 1.783 -10.739 8.514 1.00 0.00 H new ATOM 252 N THR A 48 6.925 -9.158 2.024 1.00 0.00 N ATOM 253 CA THR A 48 7.722 -9.520 0.859 1.00 0.00 C ATOM 254 C THR A 48 8.150 -8.283 0.078 1.00 0.00 C ATOM 255 O THR A 48 9.282 -8.198 -0.398 1.00 0.00 O ATOM 256 CB THR A 48 6.946 -10.463 -0.081 1.00 0.00 C ATOM 257 OG1 THR A 48 5.846 -9.766 -0.676 1.00 0.00 O ATOM 258 CG2 THR A 48 6.433 -11.679 0.675 1.00 0.00 C ATOM 0 H THR A 48 5.955 -9.471 1.985 1.00 0.00 H new ATOM 0 HA THR A 48 8.608 -10.036 1.230 1.00 0.00 H new ATOM 0 HB THR A 48 7.626 -10.801 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.359 -10.372 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.889 -12.330 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.275 -12.224 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.767 -11.356 1.475 1.00 0.00 H new ATOM 266 N SER A 49 7.238 -7.324 -0.048 1.00 0.00 N ATOM 267 CA SER A 49 7.520 -6.091 -0.774 1.00 0.00 C ATOM 268 C SER A 49 8.520 -5.228 -0.010 1.00 0.00 C ATOM 269 O SER A 49 8.527 -5.209 1.220 1.00 0.00 O ATOM 270 CB SER A 49 6.229 -5.307 -1.012 1.00 0.00 C ATOM 271 OG SER A 49 5.314 -6.055 -1.794 1.00 0.00 O ATOM 0 H SER A 49 6.298 -7.377 0.343 1.00 0.00 H new ATOM 0 HA SER A 49 7.957 -6.357 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.772 -5.054 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.458 -4.367 -1.514 1.00 0.00 H new ATOM 0 HG SER A 49 4.639 -5.454 -2.172 1.00 0.00 H new ATOM 277 N SER A 50 9.363 -4.516 -0.750 1.00 0.00 N ATOM 278 CA SER A 50 10.371 -3.653 -0.144 1.00 0.00 C ATOM 279 C SER A 50 10.087 -2.186 -0.452 1.00 0.00 C ATOM 280 O SER A 50 9.388 -1.868 -1.414 1.00 0.00 O ATOM 281 CB SER A 50 11.766 -4.031 -0.646 1.00 0.00 C ATOM 282 OG SER A 50 12.324 -5.072 0.136 1.00 0.00 O ATOM 0 H SER A 50 9.369 -4.519 -1.770 1.00 0.00 H new ATOM 0 HA SER A 50 10.331 -3.793 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.708 -4.346 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.417 -3.158 -0.612 1.00 0.00 H new ATOM 0 HG SER A 50 13.215 -5.297 -0.206 1.00 0.00 H new ATOM 288 N GLU A 51 10.635 -1.297 0.371 1.00 0.00 N ATOM 289 CA GLU A 51 10.439 0.136 0.186 1.00 0.00 C ATOM 290 C GLU A 51 10.582 0.520 -1.284 1.00 0.00 C ATOM 291 O GLU A 51 9.780 1.285 -1.816 1.00 0.00 O ATOM 292 CB GLU A 51 11.444 0.923 1.030 1.00 0.00 C ATOM 293 CG GLU A 51 11.099 2.396 1.171 1.00 0.00 C ATOM 294 CD GLU A 51 11.885 3.076 2.275 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.129 3.127 2.172 1.00 0.00 O ATOM 296 OE2 GLU A 51 11.258 3.557 3.241 1.00 0.00 O ATOM 0 H GLU A 51 11.217 -1.544 1.171 1.00 0.00 H new ATOM 0 HA GLU A 51 9.429 0.384 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.502 0.475 2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.433 0.832 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.294 2.903 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.033 2.498 1.373 1.00 0.00 H new ATOM 303 N GLU A 52 11.611 -0.018 -1.932 1.00 0.00 N ATOM 304 CA GLU A 52 11.860 0.269 -3.340 1.00 0.00 C ATOM 305 C GLU A 52 10.641 -0.079 -4.190 1.00 0.00 C ATOM 306 O GLU A 52 10.206 0.714 -5.025 1.00 0.00 O ATOM 307 CB GLU A 52 13.080 -0.510 -3.834 1.00 0.00 C ATOM 308 CG GLU A 52 13.452 -0.208 -5.276 1.00 0.00 C ATOM 309 CD GLU A 52 14.376 -1.252 -5.872 1.00 0.00 C ATOM 310 OE1 GLU A 52 15.437 -1.517 -5.268 1.00 0.00 O ATOM 311 OE2 GLU A 52 14.039 -1.804 -6.940 1.00 0.00 O ATOM 0 H GLU A 52 12.285 -0.654 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 52 12.056 1.337 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.931 -0.281 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.884 -1.578 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.544 -0.147 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.933 0.769 -5.326 1.00 0.00 H new ATOM 318 N ASP A 53 10.097 -1.271 -3.972 1.00 0.00 N ATOM 319 CA ASP A 53 8.929 -1.726 -4.717 1.00 0.00 C ATOM 320 C ASP A 53 7.804 -0.698 -4.645 1.00 0.00 C ATOM 321 O ASP A 53 7.231 -0.315 -5.667 1.00 0.00 O ATOM 322 CB ASP A 53 8.442 -3.070 -4.174 1.00 0.00 C ATOM 323 CG ASP A 53 9.500 -4.152 -4.274 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.366 -4.054 -5.168 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.462 -5.097 -3.458 1.00 0.00 O ATOM 0 H ASP A 53 10.446 -1.940 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 53 9.220 -1.848 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.145 -2.952 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.555 -3.381 -4.725 1.00 0.00 H new ATOM 330 N LEU A 54 7.492 -0.254 -3.433 1.00 0.00 N ATOM 331 CA LEU A 54 6.434 0.730 -3.227 1.00 0.00 C ATOM 332 C LEU A 54 6.684 1.980 -4.064 1.00 0.00 C ATOM 333 O LEU A 54 5.808 2.427 -4.804 1.00 0.00 O ATOM 334 CB LEU A 54 6.340 1.104 -1.746 1.00 0.00 C ATOM 335 CG LEU A 54 5.671 0.074 -0.835 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.770 0.505 0.620 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.217 -0.127 -1.236 1.00 0.00 C ATOM 0 H LEU A 54 7.956 -0.559 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 54 5.490 0.285 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.348 1.289 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.793 2.043 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 54 6.193 -0.876 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.289 -0.240 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.819 0.598 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.273 1.467 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.756 -0.863 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.682 0.819 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.169 -0.481 -2.266 1.00 0.00 H new ATOM 349 N GLU A 55 7.884 2.538 -3.942 1.00 0.00 N ATOM 350 CA GLU A 55 8.248 3.737 -4.689 1.00 0.00 C ATOM 351 C GLU A 55 7.803 3.626 -6.145 1.00 0.00 C ATOM 352 O GLU A 55 7.144 4.522 -6.675 1.00 0.00 O ATOM 353 CB GLU A 55 9.759 3.967 -4.623 1.00 0.00 C ATOM 354 CG GLU A 55 10.240 4.465 -3.270 1.00 0.00 C ATOM 355 CD GLU A 55 11.722 4.786 -3.260 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.528 3.864 -3.015 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.075 5.960 -3.497 1.00 0.00 O ATOM 0 H GLU A 55 8.620 2.180 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 55 7.738 4.586 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.271 3.034 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.042 4.690 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.677 5.357 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.031 3.709 -2.513 1.00 0.00 H new ATOM 364 N LYS A 56 8.168 2.522 -6.787 1.00 0.00 N ATOM 365 CA LYS A 56 7.807 2.291 -8.181 1.00 0.00 C ATOM 366 C LYS A 56 6.302 2.087 -8.327 1.00 0.00 C ATOM 367 O LYS A 56 5.668 2.675 -9.203 1.00 0.00 O ATOM 368 CB LYS A 56 8.553 1.072 -8.728 1.00 0.00 C ATOM 369 CG LYS A 56 10.010 1.349 -9.057 1.00 0.00 C ATOM 370 CD LYS A 56 10.861 1.427 -7.801 1.00 0.00 C ATOM 371 CE LYS A 56 12.267 1.918 -8.109 1.00 0.00 C ATOM 372 NZ LYS A 56 13.008 0.966 -8.983 1.00 0.00 N ATOM 0 H LYS A 56 8.714 1.772 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 56 8.094 3.172 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.501 0.266 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.047 0.720 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.392 0.563 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.087 2.286 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.390 2.097 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.912 0.444 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.213 2.892 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.815 2.058 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.983 1.303 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.023 0.026 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.536 0.904 -9.907 1.00 0.00 H new ATOM 386 N LEU A 57 5.737 1.251 -7.462 1.00 0.00 N ATOM 387 CA LEU A 57 4.306 0.970 -7.494 1.00 0.00 C ATOM 388 C LEU A 57 3.501 2.260 -7.617 1.00 0.00 C ATOM 389 O LEU A 57 2.789 2.468 -8.600 1.00 0.00 O ATOM 390 CB LEU A 57 3.887 0.212 -6.233 1.00 0.00 C ATOM 391 CG LEU A 57 2.387 0.177 -5.938 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.667 -0.716 -6.937 1.00 0.00 C ATOM 393 CD2 LEU A 57 2.134 -0.299 -4.515 1.00 0.00 C ATOM 0 H LEU A 57 6.248 0.756 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 57 4.101 0.351 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.245 -0.814 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.395 0.660 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 57 1.993 1.189 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.601 -0.729 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.820 -0.331 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.064 -1.729 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.061 -0.318 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.543 -1.302 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.617 0.381 -3.813 1.00 0.00 H new ATOM 405 N PHE A 58 3.620 3.124 -6.615 1.00 0.00 N ATOM 406 CA PHE A 58 2.904 4.394 -6.611 1.00 0.00 C ATOM 407 C PHE A 58 3.452 5.331 -7.684 1.00 0.00 C ATOM 408 O PHE A 58 2.695 5.915 -8.459 1.00 0.00 O ATOM 409 CB PHE A 58 3.008 5.059 -5.237 1.00 0.00 C ATOM 410 CG PHE A 58 2.230 4.347 -4.166 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.845 4.344 -4.184 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.885 3.681 -3.143 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.128 3.690 -3.200 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.173 3.025 -2.156 1.00 0.00 C ATOM 415 CZ PHE A 58 0.792 3.029 -2.186 1.00 0.00 C ATOM 0 H PHE A 58 4.206 2.968 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 58 1.856 4.191 -6.831 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.057 5.106 -4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.652 6.086 -5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.320 4.858 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.965 3.674 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.952 3.696 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.696 2.510 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.233 2.516 -1.418 1.00 0.00 H new ATOM 425 N SER A 59 4.774 5.468 -7.722 1.00 0.00 N ATOM 426 CA SER A 59 5.424 6.336 -8.696 1.00 0.00 C ATOM 427 C SER A 59 4.720 6.260 -10.047 1.00 0.00 C ATOM 428 O SER A 59 4.476 7.281 -10.691 1.00 0.00 O ATOM 429 CB SER A 59 6.896 5.949 -8.853 1.00 0.00 C ATOM 430 OG SER A 59 7.433 6.464 -10.059 1.00 0.00 O ATOM 0 H SER A 59 5.415 4.989 -7.090 1.00 0.00 H new ATOM 0 HA SER A 59 5.362 7.361 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.467 6.328 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.993 4.863 -8.842 1.00 0.00 H new ATOM 0 HG SER A 59 8.375 6.204 -10.135 1.00 0.00 H new ATOM 436 N ALA A 60 4.395 5.043 -10.471 1.00 0.00 N ATOM 437 CA ALA A 60 3.717 4.833 -11.744 1.00 0.00 C ATOM 438 C ALA A 60 2.624 5.874 -11.962 1.00 0.00 C ATOM 439 O ALA A 60 2.575 6.527 -13.005 1.00 0.00 O ATOM 440 CB ALA A 60 3.131 3.430 -11.805 1.00 0.00 C ATOM 0 H ALA A 60 4.590 4.187 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 60 4.452 4.943 -12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.628 3.287 -12.761 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.931 2.697 -11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.414 3.300 -10.994 1.00 0.00 H new ATOM 446 N TYR A 61 1.750 6.023 -10.974 1.00 0.00 N ATOM 447 CA TYR A 61 0.655 6.983 -11.059 1.00 0.00 C ATOM 448 C TYR A 61 1.188 8.403 -11.224 1.00 0.00 C ATOM 449 O TYR A 61 0.705 9.167 -12.059 1.00 0.00 O ATOM 450 CB TYR A 61 -0.224 6.898 -9.811 1.00 0.00 C ATOM 451 CG TYR A 61 -1.059 5.639 -9.743 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.528 4.456 -9.244 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.379 5.633 -10.177 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.287 3.303 -9.180 1.00 0.00 C ATOM 455 CE2 TYR A 61 -3.145 4.485 -10.116 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.594 3.323 -9.618 1.00 0.00 C ATOM 457 OH TYR A 61 -3.354 2.177 -9.555 1.00 0.00 O ATOM 0 H TYR A 61 1.778 5.491 -10.104 1.00 0.00 H new ATOM 0 HA TYR A 61 0.055 6.735 -11.935 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.410 6.952 -8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.885 7.764 -9.783 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.496 4.437 -8.900 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.813 6.541 -10.569 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.859 2.392 -8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.170 4.497 -10.456 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.053 1.626 -8.803 1.00 0.00 H new ATOM 467 N GLY A 62 2.189 8.750 -10.420 1.00 0.00 N ATOM 468 CA GLY A 62 2.773 10.077 -10.492 1.00 0.00 C ATOM 469 C GLY A 62 4.003 10.217 -9.618 1.00 0.00 C ATOM 470 O GLY A 62 4.489 9.249 -9.033 1.00 0.00 O ATOM 0 H GLY A 62 2.606 8.136 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.039 10.298 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.030 10.815 -10.189 1.00 0.00 H new ATOM 474 N PRO A 63 4.526 11.448 -9.520 1.00 0.00 N ATOM 475 CA PRO A 63 5.715 11.741 -8.713 1.00 0.00 C ATOM 476 C PRO A 63 5.441 11.632 -7.217 1.00 0.00 C ATOM 477 O PRO A 63 4.376 12.026 -6.740 1.00 0.00 O ATOM 478 CB PRO A 63 6.053 13.185 -9.091 1.00 0.00 C ATOM 479 CG PRO A 63 4.760 13.772 -9.541 1.00 0.00 C ATOM 480 CD PRO A 63 3.998 12.649 -10.189 1.00 0.00 C ATOM 0 HA PRO A 63 6.523 11.035 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.461 13.731 -8.241 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.801 13.222 -9.883 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.205 14.185 -8.699 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.926 14.588 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.923 12.753 -10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.168 12.617 -11.265 1.00 0.00 H new ATOM 488 N LEU A 64 6.408 11.097 -6.481 1.00 0.00 N ATOM 489 CA LEU A 64 6.272 10.937 -5.037 1.00 0.00 C ATOM 490 C LEU A 64 7.039 12.026 -4.293 1.00 0.00 C ATOM 491 O LEU A 64 8.250 12.168 -4.458 1.00 0.00 O ATOM 492 CB LEU A 64 6.775 9.558 -4.607 1.00 0.00 C ATOM 493 CG LEU A 64 6.028 8.358 -5.191 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.642 7.057 -4.699 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.551 8.423 -4.831 1.00 0.00 C ATOM 0 H LEU A 64 7.295 10.766 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 64 5.215 11.026 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.826 9.475 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.724 9.498 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 64 6.118 8.391 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.098 6.214 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.686 7.008 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.583 7.015 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.035 7.561 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.440 8.415 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.118 9.339 -5.233 1.00 0.00 H new ATOM 507 N SER A 65 6.325 12.790 -3.473 1.00 0.00 N ATOM 508 CA SER A 65 6.938 13.867 -2.705 1.00 0.00 C ATOM 509 C SER A 65 7.789 13.308 -1.569 1.00 0.00 C ATOM 510 O SER A 65 8.906 13.768 -1.333 1.00 0.00 O ATOM 511 CB SER A 65 5.861 14.797 -2.141 1.00 0.00 C ATOM 512 OG SER A 65 6.430 15.782 -1.296 1.00 0.00 O ATOM 0 H SER A 65 5.322 12.683 -3.323 1.00 0.00 H new ATOM 0 HA SER A 65 7.584 14.435 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.328 15.280 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.128 14.214 -1.583 1.00 0.00 H new ATOM 0 HG SER A 65 5.790 16.513 -1.168 1.00 0.00 H new ATOM 518 N GLU A 66 7.252 12.314 -0.869 1.00 0.00 N ATOM 519 CA GLU A 66 7.962 11.692 0.242 1.00 0.00 C ATOM 520 C GLU A 66 7.368 10.325 0.571 1.00 0.00 C ATOM 521 O GLU A 66 6.159 10.118 0.462 1.00 0.00 O ATOM 522 CB GLU A 66 7.909 12.593 1.478 1.00 0.00 C ATOM 523 CG GLU A 66 8.671 12.038 2.669 1.00 0.00 C ATOM 524 CD GLU A 66 10.158 12.326 2.596 1.00 0.00 C ATOM 525 OE1 GLU A 66 10.698 12.381 1.471 1.00 0.00 O ATOM 526 OE2 GLU A 66 10.782 12.496 3.664 1.00 0.00 O ATOM 0 H GLU A 66 6.328 11.922 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 66 9.002 11.555 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.315 13.571 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.868 12.745 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.266 12.466 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.516 10.961 2.725 1.00 0.00 H new ATOM 533 N LEU A 67 8.227 9.395 0.973 1.00 0.00 N ATOM 534 CA LEU A 67 7.789 8.047 1.317 1.00 0.00 C ATOM 535 C LEU A 67 8.230 7.675 2.729 1.00 0.00 C ATOM 536 O LEU A 67 9.277 8.120 3.202 1.00 0.00 O ATOM 537 CB LEU A 67 8.348 7.036 0.314 1.00 0.00 C ATOM 538 CG LEU A 67 7.784 5.618 0.405 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.428 5.538 -0.279 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.752 4.618 -0.210 1.00 0.00 C ATOM 0 H LEU A 67 9.231 9.550 1.069 1.00 0.00 H new ATOM 0 HA LEU A 67 6.700 8.025 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.166 7.414 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.429 6.985 0.445 1.00 0.00 H new ATOM 0 HG LEU A 67 7.653 5.367 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.042 4.521 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.735 6.226 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.534 5.810 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.334 3.614 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.915 4.867 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.702 4.656 0.324 1.00 0.00 H new ATOM 552 N HIS A 68 7.425 6.856 3.398 1.00 0.00 N ATOM 553 CA HIS A 68 7.733 6.422 4.756 1.00 0.00 C ATOM 554 C HIS A 68 7.460 4.930 4.925 1.00 0.00 C ATOM 555 O HIS A 68 6.308 4.505 5.009 1.00 0.00 O ATOM 556 CB HIS A 68 6.911 7.220 5.768 1.00 0.00 C ATOM 557 CG HIS A 68 7.399 7.084 7.178 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.752 5.875 7.739 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.595 8.015 8.140 1.00 0.00 C ATOM 560 CE1 HIS A 68 8.141 6.067 8.986 1.00 0.00 C ATOM 561 NE2 HIS A 68 8.057 7.358 9.254 1.00 0.00 N ATOM 0 H HIS A 68 6.555 6.480 3.022 1.00 0.00 H new ATOM 0 HA HIS A 68 8.793 6.602 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.927 8.273 5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.872 6.893 5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.421 9.077 8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.472 5.300 9.670 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.296 7.796 10.144 1.00 0.00 H new ATOM 570 N TYR A 69 8.527 4.140 4.972 1.00 0.00 N ATOM 571 CA TYR A 69 8.403 2.696 5.127 1.00 0.00 C ATOM 572 C TYR A 69 9.017 2.235 6.445 1.00 0.00 C ATOM 573 O TYR A 69 10.216 1.971 6.543 1.00 0.00 O ATOM 574 CB TYR A 69 9.078 1.977 3.958 1.00 0.00 C ATOM 575 CG TYR A 69 8.540 0.585 3.712 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.172 0.347 3.657 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.400 -0.492 3.536 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.676 -0.923 3.433 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.913 -1.765 3.310 1.00 0.00 C ATOM 580 CZ TYR A 69 7.551 -1.975 3.260 1.00 0.00 C ATOM 581 OH TYR A 69 7.062 -3.242 3.036 1.00 0.00 O ATOM 0 H TYR A 69 9.488 4.476 4.905 1.00 0.00 H new ATOM 0 HA TYR A 69 7.342 2.447 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.950 2.572 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.149 1.915 4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.485 1.169 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.467 -0.331 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.610 -1.091 3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.595 -2.591 3.173 1.00 0.00 H new ATOM 0 HH TYR A 69 7.658 -3.719 2.421 1.00 0.00 H new ATOM 591 N PRO A 70 8.176 2.134 7.486 1.00 0.00 N ATOM 592 CA PRO A 70 8.612 1.704 8.817 1.00 0.00 C ATOM 593 C PRO A 70 8.989 0.227 8.854 1.00 0.00 C ATOM 594 O PRO A 70 8.301 -0.614 8.275 1.00 0.00 O ATOM 595 CB PRO A 70 7.384 1.964 9.693 1.00 0.00 C ATOM 596 CG PRO A 70 6.229 1.904 8.755 1.00 0.00 C ATOM 597 CD PRO A 70 6.735 2.433 7.441 1.00 0.00 C ATOM 0 HA PRO A 70 9.506 2.234 9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.294 1.215 10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.446 2.936 10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.864 0.882 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.396 2.504 9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.249 1.944 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.549 3.502 7.340 1.00 0.00 H new ATOM 605 N ILE A 71 10.085 -0.082 9.539 1.00 0.00 N ATOM 606 CA ILE A 71 10.552 -1.458 9.653 1.00 0.00 C ATOM 607 C ILE A 71 11.151 -1.723 11.029 1.00 0.00 C ATOM 608 O ILE A 71 12.035 -0.997 11.483 1.00 0.00 O ATOM 609 CB ILE A 71 11.603 -1.786 8.576 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.116 -1.325 7.200 1.00 0.00 C ATOM 611 CG2 ILE A 71 11.902 -3.278 8.565 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.043 -2.213 6.610 1.00 0.00 C ATOM 0 H ILE A 71 10.666 0.602 10.023 1.00 0.00 H new ATOM 0 HA ILE A 71 9.683 -2.100 9.509 1.00 0.00 H new ATOM 0 HB ILE A 71 12.523 -1.252 8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.731 -0.309 7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.964 -1.290 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.646 -3.494 7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.286 -3.579 9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 71 10.988 -3.831 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.746 -1.826 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.431 -3.225 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.178 -2.228 7.273 1.00 0.00 H new ATOM 624 N ASP A 72 10.666 -2.770 11.688 1.00 0.00 N ATOM 625 CA ASP A 72 11.155 -3.134 13.013 1.00 0.00 C ATOM 626 C ASP A 72 12.675 -3.264 13.013 1.00 0.00 C ATOM 627 O ASP A 72 13.270 -3.719 12.036 1.00 0.00 O ATOM 628 CB ASP A 72 10.519 -4.447 13.472 1.00 0.00 C ATOM 629 CG ASP A 72 9.185 -4.234 14.159 1.00 0.00 C ATOM 630 OD1 ASP A 72 9.151 -3.512 15.178 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.174 -4.789 13.680 1.00 0.00 O ATOM 0 H ASP A 72 9.934 -3.382 11.326 1.00 0.00 H new ATOM 0 HA ASP A 72 10.875 -2.342 13.707 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.381 -5.101 12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.199 -4.958 14.154 1.00 0.00 H new ATOM 636 N SER A 73 13.298 -2.860 14.116 1.00 0.00 N ATOM 637 CA SER A 73 14.750 -2.926 14.242 1.00 0.00 C ATOM 638 C SER A 73 15.189 -4.299 14.742 1.00 0.00 C ATOM 639 O SER A 73 16.376 -4.628 14.724 1.00 0.00 O ATOM 640 CB SER A 73 15.250 -1.839 15.195 1.00 0.00 C ATOM 641 OG SER A 73 16.660 -1.891 15.332 1.00 0.00 O ATOM 0 H SER A 73 12.820 -2.484 14.935 1.00 0.00 H new ATOM 0 HA SER A 73 15.184 -2.762 13.256 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.954 -0.859 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.782 -1.963 16.171 1.00 0.00 H new ATOM 0 HG SER A 73 16.982 -2.777 15.065 1.00 0.00 H new ATOM 647 N LEU A 74 14.224 -5.095 15.188 1.00 0.00 N ATOM 648 CA LEU A 74 14.510 -6.434 15.694 1.00 0.00 C ATOM 649 C LEU A 74 14.211 -7.491 14.636 1.00 0.00 C ATOM 650 O LEU A 74 15.082 -8.280 14.268 1.00 0.00 O ATOM 651 CB LEU A 74 13.688 -6.710 16.954 1.00 0.00 C ATOM 652 CG LEU A 74 13.851 -5.706 18.096 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.751 -5.890 19.130 1.00 0.00 C ATOM 654 CD2 LEU A 74 15.222 -5.852 18.741 1.00 0.00 C ATOM 0 H LEU A 74 13.237 -4.838 15.210 1.00 0.00 H new ATOM 0 HA LEU A 74 15.570 -6.484 15.941 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.635 -6.745 16.676 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.953 -7.700 17.327 1.00 0.00 H new ATOM 0 HG LEU A 74 13.769 -4.700 17.685 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.884 -5.167 19.935 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.780 -5.735 18.660 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.800 -6.900 19.538 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.321 -5.130 19.552 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.332 -6.861 19.138 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.996 -5.669 17.996 1.00 0.00 H new ATOM 666 N THR A 75 12.974 -7.500 14.148 1.00 0.00 N ATOM 667 CA THR A 75 12.561 -8.459 13.132 1.00 0.00 C ATOM 668 C THR A 75 12.976 -7.998 11.740 1.00 0.00 C ATOM 669 O THR A 75 12.904 -8.759 10.775 1.00 0.00 O ATOM 670 CB THR A 75 11.036 -8.679 13.154 1.00 0.00 C ATOM 671 OG1 THR A 75 10.374 -7.587 12.506 1.00 0.00 O ATOM 672 CG2 THR A 75 10.529 -8.809 14.582 1.00 0.00 C ATOM 0 H THR A 75 12.241 -6.854 14.441 1.00 0.00 H new ATOM 0 HA THR A 75 13.060 -9.400 13.364 1.00 0.00 H new ATOM 0 HB THR A 75 10.817 -9.604 12.621 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.405 -7.735 12.523 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.450 -8.964 14.572 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.013 -9.658 15.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.760 -7.898 15.134 1.00 0.00 H new ATOM 680 N LYS A 76 13.411 -6.746 11.641 1.00 0.00 N ATOM 681 CA LYS A 76 13.841 -6.183 10.367 1.00 0.00 C ATOM 682 C LYS A 76 12.733 -6.291 9.323 1.00 0.00 C ATOM 683 O LYS A 76 13.002 -6.433 8.130 1.00 0.00 O ATOM 684 CB LYS A 76 15.098 -6.898 9.867 1.00 0.00 C ATOM 685 CG LYS A 76 16.294 -6.742 10.791 1.00 0.00 C ATOM 686 CD LYS A 76 16.883 -5.344 10.708 1.00 0.00 C ATOM 687 CE LYS A 76 18.154 -5.225 11.535 1.00 0.00 C ATOM 688 NZ LYS A 76 18.538 -3.804 11.761 1.00 0.00 N ATOM 0 H LYS A 76 13.475 -6.102 12.429 1.00 0.00 H new ATOM 0 HA LYS A 76 14.069 -5.129 10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.879 -7.959 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.358 -6.512 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.992 -6.950 11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.056 -7.475 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.100 -5.101 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.150 -4.618 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.010 -5.719 12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.967 -5.745 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.409 -3.766 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.701 -3.338 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.773 -3.314 12.267 1.00 0.00 H new ATOM 702 N LYS A 77 11.487 -6.223 9.780 1.00 0.00 N ATOM 703 CA LYS A 77 10.339 -6.310 8.887 1.00 0.00 C ATOM 704 C LYS A 77 9.278 -5.280 9.262 1.00 0.00 C ATOM 705 O LYS A 77 9.112 -4.921 10.428 1.00 0.00 O ATOM 706 CB LYS A 77 9.737 -7.717 8.932 1.00 0.00 C ATOM 707 CG LYS A 77 10.626 -8.778 8.306 1.00 0.00 C ATOM 708 CD LYS A 77 10.052 -10.172 8.503 1.00 0.00 C ATOM 709 CE LYS A 77 11.144 -11.231 8.488 1.00 0.00 C ATOM 710 NZ LYS A 77 10.658 -12.535 9.016 1.00 0.00 N ATOM 0 H LYS A 77 11.247 -6.108 10.765 1.00 0.00 H new ATOM 0 HA LYS A 77 10.682 -6.100 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.540 -7.986 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.777 -7.709 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.739 -8.577 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.621 -8.727 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.515 -10.215 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.328 -10.383 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.507 -11.364 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.989 -10.890 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.431 -13.230 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.335 -12.414 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.868 -12.874 8.431 1.00 0.00 H new ATOM 724 N PRO A 78 8.541 -4.793 8.252 1.00 0.00 N ATOM 725 CA PRO A 78 7.483 -3.799 8.453 1.00 0.00 C ATOM 726 C PRO A 78 6.276 -4.377 9.184 1.00 0.00 C ATOM 727 O PRO A 78 6.114 -5.594 9.271 1.00 0.00 O ATOM 728 CB PRO A 78 7.101 -3.395 7.026 1.00 0.00 C ATOM 729 CG PRO A 78 7.472 -4.570 6.188 1.00 0.00 C ATOM 730 CD PRO A 78 8.685 -5.175 6.838 1.00 0.00 C ATOM 0 HA PRO A 78 7.818 -2.966 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.036 -3.174 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.636 -2.499 6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.655 -5.290 6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.689 -4.266 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.709 -6.258 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.608 -4.785 6.408 1.00 0.00 H new ATOM 738 N LYS A 79 5.430 -3.496 9.709 1.00 0.00 N ATOM 739 CA LYS A 79 4.236 -3.918 10.431 1.00 0.00 C ATOM 740 C LYS A 79 3.037 -4.010 9.494 1.00 0.00 C ATOM 741 O LYS A 79 1.939 -4.379 9.909 1.00 0.00 O ATOM 742 CB LYS A 79 3.934 -2.942 11.571 1.00 0.00 C ATOM 743 CG LYS A 79 5.013 -2.900 12.638 1.00 0.00 C ATOM 744 CD LYS A 79 6.068 -1.852 12.323 1.00 0.00 C ATOM 745 CE LYS A 79 7.416 -2.220 12.925 1.00 0.00 C ATOM 746 NZ LYS A 79 8.218 -1.014 13.268 1.00 0.00 N ATOM 0 H LYS A 79 5.550 -2.485 9.648 1.00 0.00 H new ATOM 0 HA LYS A 79 4.424 -4.907 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.805 -1.942 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.987 -3.220 12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.561 -2.683 13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.484 -3.879 12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.167 -1.747 11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.748 -0.884 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.262 -2.820 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.972 -2.837 12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.997 -0.910 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.610 -0.171 13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.608 -1.118 14.227 1.00 0.00 H new ATOM 760 N GLY A 80 3.255 -3.673 8.226 1.00 0.00 N ATOM 761 CA GLY A 80 2.182 -3.725 7.250 1.00 0.00 C ATOM 762 C GLY A 80 1.475 -2.393 7.093 1.00 0.00 C ATOM 763 O GLY A 80 0.260 -2.347 6.901 1.00 0.00 O ATOM 0 H GLY A 80 4.155 -3.365 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.587 -4.034 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.459 -4.483 7.550 1.00 0.00 H new ATOM 767 N PHE A 81 2.236 -1.307 7.178 1.00 0.00 N ATOM 768 CA PHE A 81 1.674 0.032 7.047 1.00 0.00 C ATOM 769 C PHE A 81 2.745 1.031 6.619 1.00 0.00 C ATOM 770 O PHE A 81 3.928 0.850 6.905 1.00 0.00 O ATOM 771 CB PHE A 81 1.046 0.476 8.369 1.00 0.00 C ATOM 772 CG PHE A 81 2.010 1.167 9.290 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.270 2.521 9.153 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.658 0.463 10.292 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.157 3.160 9.998 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.546 1.097 11.141 1.00 0.00 C ATOM 777 CZ PHE A 81 3.797 2.447 10.993 1.00 0.00 C ATOM 0 H PHE A 81 3.243 -1.328 7.337 1.00 0.00 H new ATOM 0 HA PHE A 81 0.902 0.002 6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.213 1.147 8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.633 -0.396 8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.773 3.084 8.376 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.467 -0.593 10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.350 4.216 9.881 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.043 0.537 11.919 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.492 2.944 11.654 1.00 0.00 H new ATOM 787 N ALA A 82 2.320 2.087 5.932 1.00 0.00 N ATOM 788 CA ALA A 82 3.241 3.116 5.466 1.00 0.00 C ATOM 789 C ALA A 82 2.495 4.393 5.094 1.00 0.00 C ATOM 790 O ALA A 82 1.264 4.431 5.108 1.00 0.00 O ATOM 791 CB ALA A 82 4.044 2.607 4.278 1.00 0.00 C ATOM 0 H ALA A 82 1.344 2.252 5.686 1.00 0.00 H new ATOM 0 HA ALA A 82 3.926 3.351 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.728 3.386 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.615 1.727 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.366 2.343 3.467 1.00 0.00 H new ATOM 797 N PHE A 83 3.247 5.437 4.763 1.00 0.00 N ATOM 798 CA PHE A 83 2.656 6.717 4.390 1.00 0.00 C ATOM 799 C PHE A 83 3.221 7.209 3.060 1.00 0.00 C ATOM 800 O PHE A 83 4.423 7.444 2.932 1.00 0.00 O ATOM 801 CB PHE A 83 2.910 7.758 5.481 1.00 0.00 C ATOM 802 CG PHE A 83 1.971 7.645 6.648 1.00 0.00 C ATOM 803 CD1 PHE A 83 2.230 6.757 7.679 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.829 8.428 6.713 1.00 0.00 C ATOM 805 CE1 PHE A 83 1.366 6.650 8.753 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.038 8.326 7.785 1.00 0.00 C ATOM 807 CZ PHE A 83 0.232 7.437 8.807 1.00 0.00 C ATOM 0 H PHE A 83 4.267 5.422 4.745 1.00 0.00 H new ATOM 0 HA PHE A 83 1.581 6.574 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.935 7.656 5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.821 8.755 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.117 6.141 7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.614 9.126 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.578 5.952 9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.925 8.941 7.823 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.442 7.357 9.647 1.00 0.00 H new ATOM 817 N VAL A 84 2.345 7.363 2.072 1.00 0.00 N ATOM 818 CA VAL A 84 2.755 7.827 0.752 1.00 0.00 C ATOM 819 C VAL A 84 2.372 9.287 0.541 1.00 0.00 C ATOM 820 O VAL A 84 1.223 9.677 0.750 1.00 0.00 O ATOM 821 CB VAL A 84 2.122 6.975 -0.364 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.612 7.434 -1.729 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.429 5.501 -0.147 1.00 0.00 C ATOM 0 H VAL A 84 1.347 7.173 2.161 1.00 0.00 H new ATOM 0 HA VAL A 84 3.839 7.728 0.703 1.00 0.00 H new ATOM 0 HB VAL A 84 1.041 7.107 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.154 6.821 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.337 8.478 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.696 7.333 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.974 4.913 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.508 5.349 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.025 5.183 0.814 1.00 0.00 H new ATOM 833 N THR A 85 3.344 10.094 0.123 1.00 0.00 N ATOM 834 CA THR A 85 3.110 11.512 -0.117 1.00 0.00 C ATOM 835 C THR A 85 3.421 11.884 -1.562 1.00 0.00 C ATOM 836 O THR A 85 4.554 11.739 -2.021 1.00 0.00 O ATOM 837 CB THR A 85 3.961 12.388 0.821 1.00 0.00 C ATOM 838 OG1 THR A 85 3.674 12.067 2.187 1.00 0.00 O ATOM 839 CG2 THR A 85 3.691 13.865 0.575 1.00 0.00 C ATOM 0 H THR A 85 4.301 9.788 -0.056 1.00 0.00 H new ATOM 0 HA THR A 85 2.055 11.696 0.083 1.00 0.00 H new ATOM 0 HB THR A 85 5.012 12.187 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.221 12.627 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.303 14.464 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.938 14.113 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.637 14.077 0.757 1.00 0.00 H new ATOM 847 N PHE A 86 2.408 12.364 -2.276 1.00 0.00 N ATOM 848 CA PHE A 86 2.573 12.756 -3.670 1.00 0.00 C ATOM 849 C PHE A 86 2.857 14.251 -3.785 1.00 0.00 C ATOM 850 O PHE A 86 2.527 15.026 -2.887 1.00 0.00 O ATOM 851 CB PHE A 86 1.322 12.400 -4.475 1.00 0.00 C ATOM 852 CG PHE A 86 1.163 10.925 -4.714 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.566 10.116 -3.761 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.611 10.349 -5.892 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.417 8.759 -3.978 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.465 8.993 -6.114 1.00 0.00 C ATOM 857 CZ PHE A 86 0.868 8.197 -5.156 1.00 0.00 C ATOM 0 H PHE A 86 1.464 12.491 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 86 3.425 12.210 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.443 12.772 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.359 12.914 -5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.213 10.551 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.079 10.966 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.051 8.139 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.818 8.556 -7.036 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.754 7.137 -5.328 1.00 0.00 H new ATOM 867 N MET A 87 3.469 14.648 -4.895 1.00 0.00 N ATOM 868 CA MET A 87 3.796 16.050 -5.127 1.00 0.00 C ATOM 869 C MET A 87 2.544 16.852 -5.466 1.00 0.00 C ATOM 870 O MET A 87 2.343 17.954 -4.955 1.00 0.00 O ATOM 871 CB MET A 87 4.818 16.177 -6.259 1.00 0.00 C ATOM 872 CG MET A 87 6.261 16.122 -5.784 1.00 0.00 C ATOM 873 SD MET A 87 6.922 17.750 -5.379 1.00 0.00 S ATOM 874 CE MET A 87 6.175 18.029 -3.775 1.00 0.00 C ATOM 0 H MET A 87 3.749 14.019 -5.648 1.00 0.00 H new ATOM 0 HA MET A 87 4.227 16.453 -4.210 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.651 15.377 -6.980 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.652 17.118 -6.783 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.326 15.479 -4.906 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.877 15.667 -6.559 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.758 18.768 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.157 18.396 -3.907 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.154 17.094 -3.216 1.00 0.00 H new ATOM 884 N PHE A 88 1.704 16.292 -6.331 1.00 0.00 N ATOM 885 CA PHE A 88 0.471 16.956 -6.739 1.00 0.00 C ATOM 886 C PHE A 88 -0.750 16.192 -6.236 1.00 0.00 C ATOM 887 O PHE A 88 -0.754 14.963 -6.151 1.00 0.00 O ATOM 888 CB PHE A 88 0.416 17.083 -8.263 1.00 0.00 C ATOM 889 CG PHE A 88 1.575 17.840 -8.844 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.615 19.224 -8.785 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.625 17.168 -9.449 1.00 0.00 C ATOM 892 CE1 PHE A 88 2.681 19.923 -9.320 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.694 17.862 -9.985 1.00 0.00 C ATOM 894 CZ PHE A 88 3.722 19.241 -9.920 1.00 0.00 C ATOM 0 H PHE A 88 1.855 15.380 -6.763 1.00 0.00 H new ATOM 0 HA PHE A 88 0.461 17.953 -6.298 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.387 16.086 -8.702 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.511 17.582 -8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.805 19.762 -8.316 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.608 16.089 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.700 21.002 -9.269 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.506 17.326 -10.454 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.556 19.785 -10.337 1.00 0.00 H new ATOM 904 N PRO A 89 -1.812 16.935 -5.892 1.00 0.00 N ATOM 905 CA PRO A 89 -3.059 16.349 -5.392 1.00 0.00 C ATOM 906 C PRO A 89 -3.818 15.589 -6.474 1.00 0.00 C ATOM 907 O PRO A 89 -4.395 14.533 -6.214 1.00 0.00 O ATOM 908 CB PRO A 89 -3.863 17.568 -4.931 1.00 0.00 C ATOM 909 CG PRO A 89 -3.335 18.699 -5.744 1.00 0.00 C ATOM 910 CD PRO A 89 -1.878 18.404 -5.967 1.00 0.00 C ATOM 0 HA PRO A 89 -2.878 15.617 -4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.930 17.425 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.729 17.750 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.866 18.779 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.466 19.648 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.537 18.773 -6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.252 18.874 -5.208 1.00 0.00 H new ATOM 918 N GLU A 90 -3.812 16.132 -7.687 1.00 0.00 N ATOM 919 CA GLU A 90 -4.501 15.503 -8.808 1.00 0.00 C ATOM 920 C GLU A 90 -4.113 14.032 -8.928 1.00 0.00 C ATOM 921 O GLU A 90 -4.966 13.169 -9.144 1.00 0.00 O ATOM 922 CB GLU A 90 -4.176 16.236 -10.111 1.00 0.00 C ATOM 923 CG GLU A 90 -2.699 16.220 -10.466 1.00 0.00 C ATOM 924 CD GLU A 90 -2.374 17.111 -11.649 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.304 18.344 -11.462 1.00 0.00 O ATOM 926 OE2 GLU A 90 -2.189 16.576 -12.762 1.00 0.00 O ATOM 0 H GLU A 90 -3.338 17.005 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.574 15.564 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.742 15.782 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.510 17.270 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.118 16.543 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.394 15.198 -10.691 1.00 0.00 H new ATOM 933 N HIS A 91 -2.821 13.753 -8.788 1.00 0.00 N ATOM 934 CA HIS A 91 -2.320 12.386 -8.881 1.00 0.00 C ATOM 935 C HIS A 91 -2.706 11.580 -7.645 1.00 0.00 C ATOM 936 O HIS A 91 -3.168 10.445 -7.752 1.00 0.00 O ATOM 937 CB HIS A 91 -0.800 12.389 -9.048 1.00 0.00 C ATOM 938 CG HIS A 91 -0.322 13.259 -10.170 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.854 13.978 -10.117 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.867 13.522 -11.380 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.010 14.647 -11.245 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.021 14.387 -12.029 1.00 0.00 N ATOM 0 H HIS A 91 -2.102 14.455 -8.610 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.774 11.917 -9.754 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.341 12.725 -8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.460 11.368 -9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.795 13.125 -11.764 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.839 15.296 -11.485 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.165 14.767 -12.964 1.00 0.00 H new ATOM 951 N ALA A 92 -2.513 12.176 -6.472 1.00 0.00 N ATOM 952 CA ALA A 92 -2.842 11.514 -5.216 1.00 0.00 C ATOM 953 C ALA A 92 -4.268 10.974 -5.238 1.00 0.00 C ATOM 954 O ALA A 92 -4.526 9.855 -4.793 1.00 0.00 O ATOM 955 CB ALA A 92 -2.657 12.473 -4.050 1.00 0.00 C ATOM 0 H ALA A 92 -2.131 13.116 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.163 10.670 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.906 11.965 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.620 12.807 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.312 13.335 -4.180 1.00 0.00 H new ATOM 961 N VAL A 93 -5.192 11.776 -5.757 1.00 0.00 N ATOM 962 CA VAL A 93 -6.593 11.378 -5.837 1.00 0.00 C ATOM 963 C VAL A 93 -6.777 10.205 -6.792 1.00 0.00 C ATOM 964 O VAL A 93 -7.416 9.208 -6.453 1.00 0.00 O ATOM 965 CB VAL A 93 -7.483 12.547 -6.300 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.937 12.111 -6.383 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.327 13.737 -5.365 1.00 0.00 C ATOM 0 H VAL A 93 -4.996 12.705 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.894 11.077 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.163 12.852 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.550 12.950 -6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.031 11.292 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.274 11.778 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.963 14.554 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.619 13.447 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.287 14.063 -5.362 1.00 0.00 H new ATOM 977 N LYS A 94 -6.214 10.329 -7.989 1.00 0.00 N ATOM 978 CA LYS A 94 -6.314 9.278 -8.995 1.00 0.00 C ATOM 979 C LYS A 94 -5.856 7.938 -8.429 1.00 0.00 C ATOM 980 O LYS A 94 -6.486 6.907 -8.663 1.00 0.00 O ATOM 981 CB LYS A 94 -5.475 9.638 -10.223 1.00 0.00 C ATOM 982 CG LYS A 94 -5.378 8.517 -11.244 1.00 0.00 C ATOM 983 CD LYS A 94 -4.090 8.603 -12.045 1.00 0.00 C ATOM 984 CE LYS A 94 -4.031 7.530 -13.122 1.00 0.00 C ATOM 985 NZ LYS A 94 -3.210 7.959 -14.288 1.00 0.00 N ATOM 0 H LYS A 94 -5.683 11.148 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.360 9.190 -9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.906 10.518 -10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.471 9.911 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.427 7.555 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.232 8.564 -11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.012 9.588 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.236 8.496 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.614 6.615 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.042 7.295 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.195 7.201 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.622 8.817 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.239 8.159 -13.974 1.00 0.00 H new ATOM 999 N ALA A 95 -4.757 7.960 -7.683 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.217 6.747 -7.080 1.00 0.00 C ATOM 1001 C ALA A 95 -5.183 6.168 -6.053 1.00 0.00 C ATOM 1002 O ALA A 95 -5.478 4.973 -6.067 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.868 7.032 -6.437 1.00 0.00 C ATOM 0 H ALA A 95 -4.222 8.805 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.081 6.008 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.477 6.117 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.172 7.392 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.987 7.791 -5.664 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.673 7.022 -5.161 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.604 6.594 -4.124 1.00 0.00 C ATOM 1011 C TYR A 96 -7.854 5.970 -4.737 1.00 0.00 C ATOM 1012 O TYR A 96 -8.574 5.220 -4.078 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.994 7.780 -3.239 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.312 7.592 -2.522 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.450 6.640 -1.519 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.419 8.365 -2.848 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.652 6.465 -0.861 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.625 8.197 -2.195 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.737 7.246 -1.203 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.936 7.075 -0.551 1.00 0.00 O ATOM 0 H TYR A 96 -5.441 8.015 -5.135 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.107 5.841 -3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.209 7.946 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -7.049 8.679 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.603 6.027 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.336 9.110 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.742 5.721 -0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.476 8.807 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.596 7.704 -0.910 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.103 6.284 -6.003 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.264 5.753 -6.708 1.00 0.00 C ATOM 1032 C ALA A 97 -8.970 4.373 -7.286 1.00 0.00 C ATOM 1033 O ALA A 97 -9.834 3.497 -7.294 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.695 6.708 -7.811 1.00 0.00 C ATOM 0 H ALA A 97 -7.517 6.903 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.079 5.653 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.563 6.298 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.954 7.673 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.877 6.838 -8.520 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.746 4.187 -7.770 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.340 2.913 -8.352 1.00 0.00 C ATOM 1042 C GLU A 98 -6.675 2.024 -7.305 1.00 0.00 C ATOM 1043 O GLU A 98 -7.127 0.909 -7.043 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.383 3.144 -9.523 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.022 3.864 -10.699 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.778 2.924 -11.618 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -8.682 2.215 -11.129 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -7.465 2.897 -12.827 1.00 0.00 O ATOM 0 H GLU A 98 -7.019 4.902 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.234 2.408 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.528 3.724 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.999 2.182 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.704 4.628 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.248 4.379 -11.269 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.598 2.526 -6.709 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.869 1.779 -5.691 1.00 0.00 C ATOM 1057 C VAL A 99 -5.821 1.195 -4.652 1.00 0.00 C ATOM 1058 O VAL A 99 -5.853 -0.017 -4.437 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.831 2.666 -4.979 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.123 1.885 -3.882 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.830 3.222 -5.980 1.00 0.00 C ATOM 0 H VAL A 99 -5.211 3.447 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.352 0.968 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.352 3.504 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.393 2.528 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.854 1.541 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.613 1.026 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.104 3.847 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.313 2.399 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.355 3.820 -6.725 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.594 2.065 -4.012 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.548 1.635 -2.996 1.00 0.00 C ATOM 1073 C ASP A 100 -8.343 0.424 -3.474 1.00 0.00 C ATOM 1074 O ASP A 100 -9.262 0.552 -4.282 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.500 2.780 -2.644 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.404 2.442 -1.474 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -8.902 1.875 -0.481 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.612 2.747 -1.552 1.00 0.00 O ATOM 0 H ASP A 100 -6.579 3.071 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.989 1.350 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.919 3.671 -2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.111 3.021 -3.514 1.00 0.00 H new ATOM 1083 N GLY A 101 -7.982 -0.751 -2.969 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.670 -1.969 -3.357 1.00 0.00 C ATOM 1085 C GLY A 101 -7.861 -2.810 -4.324 1.00 0.00 C ATOM 1086 O GLY A 101 -8.394 -3.715 -4.965 1.00 0.00 O ATOM 0 H GLY A 101 -7.225 -0.882 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.891 -2.557 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.625 -1.713 -3.815 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.571 -2.509 -4.431 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.687 -3.243 -5.329 1.00 0.00 C ATOM 1092 C GLN A 102 -4.952 -4.352 -4.583 1.00 0.00 C ATOM 1093 O GLN A 102 -4.679 -4.236 -3.388 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.679 -2.293 -5.976 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.504 -1.947 -5.076 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.378 -1.260 -5.824 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.324 -1.292 -7.053 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -1.472 -0.633 -5.083 1.00 0.00 N ATOM 0 H GLN A 102 -6.115 -1.762 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.299 -3.698 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.302 -2.746 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.190 -1.374 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.848 -1.299 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.125 -2.858 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.556 -0.632 -4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.692 -0.152 -5.530 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.635 -5.428 -5.296 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.930 -6.558 -4.702 1.00 0.00 C ATOM 1109 C VAL A 103 -2.440 -6.505 -5.018 1.00 0.00 C ATOM 1110 O VAL A 103 -2.044 -6.385 -6.178 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.502 -7.900 -5.199 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.567 -9.044 -4.838 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.890 -8.132 -4.624 1.00 0.00 C ATOM 0 H VAL A 103 -4.855 -5.541 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.072 -6.488 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.586 -7.861 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.987 -9.984 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.595 -8.880 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.448 -9.089 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.279 -9.084 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.834 -8.152 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.553 -7.326 -4.938 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.617 -6.595 -3.979 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.168 -6.556 -4.145 1.00 0.00 C ATOM 1125 C PHE A 104 0.496 -7.707 -3.395 1.00 0.00 C ATOM 1126 O PHE A 104 0.682 -7.643 -2.180 1.00 0.00 O ATOM 1127 CB PHE A 104 0.388 -5.220 -3.648 1.00 0.00 C ATOM 1128 CG PHE A 104 1.732 -4.879 -4.224 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.907 -4.772 -5.595 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.822 -4.666 -3.395 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.143 -4.458 -6.128 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.060 -4.352 -3.923 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.221 -4.249 -5.291 1.00 0.00 C ATOM 0 H PHE A 104 -1.928 -6.695 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 104 0.054 -6.661 -5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.317 -4.427 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.464 -5.249 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.068 -4.936 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.703 -4.746 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.265 -4.376 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.901 -4.187 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.188 -4.005 -5.705 1.00 0.00 H new ATOM 1143 N GLN A 105 0.851 -8.757 -4.128 1.00 0.00 N ATOM 1144 CA GLN A 105 1.493 -9.922 -3.532 1.00 0.00 C ATOM 1145 C GLN A 105 0.515 -10.691 -2.650 1.00 0.00 C ATOM 1146 O GLN A 105 0.918 -11.382 -1.715 1.00 0.00 O ATOM 1147 CB GLN A 105 2.712 -9.495 -2.712 1.00 0.00 C ATOM 1148 CG GLN A 105 3.586 -8.467 -3.412 1.00 0.00 C ATOM 1149 CD GLN A 105 4.605 -9.101 -4.338 1.00 0.00 C ATOM 1150 OE1 GLN A 105 4.457 -10.253 -4.747 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.648 -8.351 -4.673 1.00 0.00 N ATOM 0 H GLN A 105 0.705 -8.825 -5.135 1.00 0.00 H new ATOM 0 HA GLN A 105 1.819 -10.579 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.374 -9.085 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.313 -10.375 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.954 -7.788 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.104 -7.867 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.730 -7.401 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.367 -8.725 -5.293 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.773 -10.565 -2.953 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.789 -11.253 -2.177 1.00 0.00 C ATOM 1162 C GLY A 106 -2.127 -10.526 -0.891 1.00 0.00 C ATOM 1163 O GLY A 106 -2.446 -11.154 0.119 1.00 0.00 O ATOM 0 H GLY A 106 -1.132 -9.999 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.692 -11.359 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.443 -12.259 -1.942 1.00 0.00 H new ATOM 1167 N ARG A 107 -2.056 -9.199 -0.926 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.355 -8.387 0.247 1.00 0.00 C ATOM 1169 C ARG A 107 -3.305 -7.246 -0.109 1.00 0.00 C ATOM 1170 O ARG A 107 -2.969 -6.372 -0.907 1.00 0.00 O ATOM 1171 CB ARG A 107 -1.065 -7.823 0.845 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.428 -8.729 1.885 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.129 -8.612 3.230 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.052 -9.853 3.997 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.692 -10.048 5.144 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.454 -9.090 5.654 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.572 -11.205 5.784 1.00 0.00 N ATOM 0 H ARG A 107 -1.794 -8.664 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.841 -9.025 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.349 -7.647 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.278 -6.856 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.467 -9.763 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.625 -8.471 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.679 -7.802 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.175 -8.348 3.072 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.475 -10.611 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.550 -8.200 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.944 -9.243 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.988 -11.945 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.064 -11.354 6.665 1.00 0.00 H new ATOM 1191 N MET A 108 -4.492 -7.264 0.488 1.00 0.00 N ATOM 1192 CA MET A 108 -5.489 -6.231 0.234 1.00 0.00 C ATOM 1193 C MET A 108 -5.023 -4.881 0.771 1.00 0.00 C ATOM 1194 O MET A 108 -5.137 -4.603 1.966 1.00 0.00 O ATOM 1195 CB MET A 108 -6.825 -6.613 0.875 1.00 0.00 C ATOM 1196 CG MET A 108 -7.732 -7.414 -0.045 1.00 0.00 C ATOM 1197 SD MET A 108 -8.827 -6.368 -1.024 1.00 0.00 S ATOM 1198 CE MET A 108 -7.669 -5.679 -2.205 1.00 0.00 C ATOM 0 H MET A 108 -4.787 -7.982 1.150 1.00 0.00 H new ATOM 0 HA MET A 108 -5.622 -6.147 -0.845 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.633 -7.193 1.778 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.344 -5.705 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.121 -8.020 -0.714 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.331 -8.103 0.551 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.205 -5.374 -3.104 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.173 -4.813 -1.766 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.924 -6.431 -2.465 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.498 -4.046 -0.118 1.00 0.00 N ATOM 1209 CA LEU A 109 -4.014 -2.724 0.266 1.00 0.00 C ATOM 1210 C LEU A 109 -5.175 -1.753 0.456 1.00 0.00 C ATOM 1211 O LEU A 109 -5.922 -1.471 -0.481 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.050 -2.184 -0.792 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.844 -3.067 -1.114 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.118 -2.550 -2.347 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.898 -3.132 0.076 1.00 0.00 C ATOM 0 H LEU A 109 -4.396 -4.260 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.485 -2.820 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.609 -2.017 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.685 -1.212 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.201 -4.075 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.263 -3.191 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.798 -2.556 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.773 -1.532 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.045 -3.765 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.547 -2.129 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.423 -3.549 0.935 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.319 -1.243 1.675 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.388 -0.300 1.988 1.00 0.00 C ATOM 1229 C HIS A 110 -5.857 1.130 2.024 1.00 0.00 C ATOM 1230 O HIS A 110 -5.113 1.504 2.931 1.00 0.00 O ATOM 1231 CB HIS A 110 -7.031 -0.652 3.330 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.833 -1.917 3.296 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.896 -2.156 4.141 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.723 -3.014 2.511 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.405 -3.347 3.878 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.711 -3.888 2.893 1.00 0.00 N ATOM 0 H HIS A 110 -4.710 -1.466 2.462 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.142 -0.370 1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.250 -0.747 4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.676 0.170 3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.994 -3.172 1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.245 -3.801 4.383 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.881 -4.806 2.483 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.245 1.925 1.032 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.809 3.314 0.950 1.00 0.00 C ATOM 1247 C VAL A 111 -6.879 4.258 1.486 1.00 0.00 C ATOM 1248 O VAL A 111 -7.970 4.361 0.923 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.467 3.711 -0.498 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.804 5.079 -0.535 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.576 2.660 -1.142 1.00 0.00 C ATOM 0 H VAL A 111 -6.861 1.631 0.274 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.912 3.401 1.563 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.394 3.768 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.570 5.342 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.481 5.823 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.885 5.054 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.344 2.957 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.651 2.568 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.093 1.701 -1.151 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.561 4.946 2.577 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.495 5.884 3.189 1.00 0.00 C ATOM 1263 C LEU A 112 -7.096 7.325 2.889 1.00 0.00 C ATOM 1264 O LEU A 112 -5.915 7.668 2.828 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.552 5.663 4.702 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.485 4.551 5.183 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.581 3.447 4.141 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.006 3.991 6.514 1.00 0.00 C ATOM 0 H LEU A 112 -5.663 4.872 3.056 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.482 5.704 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.545 5.443 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.858 6.596 5.174 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.479 4.974 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.249 2.664 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.972 3.858 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.591 3.026 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.682 3.201 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.002 3.584 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.991 4.786 7.259 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.102 8.191 2.699 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.880 9.610 2.405 1.00 0.00 C ATOM 1282 C PRO A 113 -7.323 10.370 3.604 1.00 0.00 C ATOM 1283 O PRO A 113 -7.780 10.191 4.733 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.279 10.122 2.052 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.210 9.195 2.754 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.534 7.852 2.757 1.00 0.00 C ATOM 0 HA PRO A 113 -7.146 9.752 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.420 11.151 2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.445 10.109 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.406 9.535 3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.172 9.147 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.776 7.282 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.839 7.247 1.903 1.00 0.00 H new ATOM 1294 N SER A 114 -6.332 11.220 3.352 1.00 0.00 N ATOM 1295 CA SER A 114 -5.710 12.005 4.411 1.00 0.00 C ATOM 1296 C SER A 114 -5.359 13.405 3.916 1.00 0.00 C ATOM 1297 O SER A 114 -4.963 13.588 2.764 1.00 0.00 O ATOM 1298 CB SER A 114 -4.451 11.303 4.923 1.00 0.00 C ATOM 1299 OG SER A 114 -3.819 12.063 5.938 1.00 0.00 O ATOM 0 H SER A 114 -5.943 11.382 2.423 1.00 0.00 H new ATOM 0 HA SER A 114 -6.425 12.096 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.712 10.319 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.757 11.146 4.097 1.00 0.00 H new ATOM 0 HG SER A 114 -3.018 11.591 6.249 1.00 0.00 H new