USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= 0.377 K(o=-11,f=-23!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12! C(o=-11!,f=-11!) USER MOD Set 1.3: A 85 SER OG : rot -79:sc= 0.735 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.0144 USER MOD Single : A 23 SER OG : rot 155:sc= -0.847 USER MOD Single : A 31 THR OG1 : rot 128:sc= 1.29 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 69:sc= 0.21 USER MOD Single : A 38 MET CE :methyl -138:sc= -9.2! (180deg=-15.2!) USER MOD Single : A 56 CYS SG : rot -170:sc= -1.83! USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 71 SER OG : rot 144:sc= 0.0435 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -10.105 -15.323 1.906 1.00 0.00 N ATOM 67 CA ARG A 8 -8.889 -14.985 1.187 1.00 0.00 C ATOM 68 C ARG A 8 -8.218 -13.765 1.821 1.00 0.00 C ATOM 69 O ARG A 8 -8.859 -13.008 2.549 1.00 0.00 O ATOM 70 CB ARG A 8 -9.183 -14.688 -0.285 1.00 0.00 C ATOM 71 CG ARG A 8 -9.042 -15.951 -1.138 1.00 0.00 C ATOM 72 CD ARG A 8 -10.082 -17.000 -0.740 1.00 0.00 C ATOM 73 NE ARG A 8 -9.408 -18.197 -0.189 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.048 -19.209 0.414 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.381 -19.174 0.547 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.354 -20.255 0.883 1.00 0.00 N ATOM 0 HA ARG A 8 -8.220 -15.844 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.192 -14.288 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.499 -13.921 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.160 -15.698 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.040 -16.364 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.765 -16.584 0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.682 -17.277 -1.607 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.393 -18.256 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.908 -18.378 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.868 -19.944 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.339 -20.281 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.840 -21.025 1.342 1.00 0.00 H new ATOM 90 N PRO A 9 -6.903 -13.607 1.515 1.00 0.00 N ATOM 91 CA PRO A 9 -6.139 -12.492 2.047 1.00 0.00 C ATOM 92 C PRO A 9 -6.498 -11.189 1.329 1.00 0.00 C ATOM 93 O PRO A 9 -7.210 -11.205 0.326 1.00 0.00 O ATOM 94 CB PRO A 9 -4.683 -12.889 1.863 1.00 0.00 C ATOM 95 CG PRO A 9 -4.681 -13.995 0.821 1.00 0.00 C ATOM 96 CD PRO A 9 -6.111 -14.483 0.656 1.00 0.00 C ATOM 0 HA PRO A 9 -6.356 -12.297 3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.085 -12.040 1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.251 -13.236 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.292 -13.625 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.032 -14.813 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.435 -14.417 -0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.210 -15.526 0.955 1.00 0.00 H new ATOM 104 N HIS A 10 -5.989 -10.092 1.871 1.00 0.00 N ATOM 105 CA HIS A 10 -6.247 -8.784 1.295 1.00 0.00 C ATOM 106 C HIS A 10 -5.016 -8.313 0.518 1.00 0.00 C ATOM 107 O HIS A 10 -3.981 -8.011 1.111 1.00 0.00 O ATOM 108 CB HIS A 10 -6.681 -7.791 2.376 1.00 0.00 C ATOM 109 CG HIS A 10 -8.054 -8.062 2.943 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.216 -7.606 2.344 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.439 -8.747 4.058 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.247 -8.003 3.075 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.763 -8.710 4.137 1.00 0.00 N ATOM 0 H HIS A 10 -5.399 -10.083 2.703 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.075 -8.850 0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.953 -7.812 3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.664 -6.784 1.958 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.778 -9.237 4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.288 -7.802 2.867 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.326 -9.139 4.871 1.00 0.00 H new ATOM 121 N VAL A 11 -5.169 -8.266 -0.797 1.00 0.00 N ATOM 122 CA VAL A 11 -4.082 -7.837 -1.662 1.00 0.00 C ATOM 123 C VAL A 11 -4.162 -6.322 -1.861 1.00 0.00 C ATOM 124 O VAL A 11 -4.852 -5.847 -2.762 1.00 0.00 O ATOM 125 CB VAL A 11 -4.123 -8.617 -2.978 1.00 0.00 C ATOM 126 CG1 VAL A 11 -3.140 -8.030 -3.993 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.847 -10.103 -2.744 1.00 0.00 C ATOM 0 H VAL A 11 -6.029 -8.518 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.118 -8.053 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.127 -8.524 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.189 -8.602 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.402 -6.991 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.129 -8.078 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.882 -10.634 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.860 -10.224 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.602 -10.512 -2.072 1.00 0.00 H new ATOM 137 N VAL A 12 -3.447 -5.607 -1.006 1.00 0.00 N ATOM 138 CA VAL A 12 -3.429 -4.155 -1.077 1.00 0.00 C ATOM 139 C VAL A 12 -2.458 -3.715 -2.174 1.00 0.00 C ATOM 140 O VAL A 12 -1.327 -4.195 -2.237 1.00 0.00 O ATOM 141 CB VAL A 12 -3.087 -3.569 0.294 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.074 -2.039 0.248 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.055 -4.077 1.365 1.00 0.00 C ATOM 0 H VAL A 12 -2.876 -6.005 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.415 -3.773 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.085 -3.905 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.828 -1.647 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.328 -1.703 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.057 -1.676 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.789 -3.645 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.072 -3.785 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.994 -5.164 1.425 1.00 0.00 H new ATOM 153 N LYS A 13 -2.935 -2.806 -3.012 1.00 0.00 N ATOM 154 CA LYS A 13 -2.123 -2.296 -4.104 1.00 0.00 C ATOM 155 C LYS A 13 -1.656 -0.879 -3.767 1.00 0.00 C ATOM 156 O LYS A 13 -2.431 0.072 -3.855 1.00 0.00 O ATOM 157 CB LYS A 13 -2.883 -2.395 -5.428 1.00 0.00 C ATOM 158 CG LYS A 13 -3.308 -3.837 -5.710 1.00 0.00 C ATOM 159 CD LYS A 13 -4.472 -3.881 -6.703 1.00 0.00 C ATOM 160 CE LYS A 13 -5.809 -3.667 -5.990 1.00 0.00 C ATOM 161 NZ LYS A 13 -6.741 -4.776 -6.292 1.00 0.00 N ATOM 0 H LYS A 13 -3.873 -2.410 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.228 -2.905 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.763 -1.753 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.254 -2.032 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.463 -4.398 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.601 -4.322 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.335 -3.113 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.480 -4.842 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.648 -3.603 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.248 -2.720 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.643 -4.615 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.908 -4.819 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.327 -5.674 -5.971 1.00 0.00 H new ATOM 175 N VAL A 14 -0.390 -0.782 -3.388 1.00 0.00 N ATOM 176 CA VAL A 14 0.190 0.504 -3.037 1.00 0.00 C ATOM 177 C VAL A 14 0.947 1.063 -4.243 1.00 0.00 C ATOM 178 O VAL A 14 1.683 0.337 -4.910 1.00 0.00 O ATOM 179 CB VAL A 14 1.070 0.359 -1.793 1.00 0.00 C ATOM 180 CG1 VAL A 14 2.013 1.555 -1.648 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.216 0.178 -0.536 1.00 0.00 C ATOM 0 H VAL A 14 0.250 -1.573 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.592 1.220 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 14 1.680 -0.536 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.627 1.428 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.656 1.620 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.428 2.471 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.865 0.077 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.431 1.046 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.396 -0.718 -0.638 1.00 0.00 H new ATOM 191 N TYR A 15 0.741 2.349 -4.487 1.00 0.00 N ATOM 192 CA TYR A 15 1.395 3.014 -5.601 1.00 0.00 C ATOM 193 C TYR A 15 2.403 4.052 -5.104 1.00 0.00 C ATOM 194 O TYR A 15 2.176 4.706 -4.087 1.00 0.00 O ATOM 195 CB TYR A 15 0.286 3.727 -6.376 1.00 0.00 C ATOM 196 CG TYR A 15 -0.686 2.781 -7.084 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.767 2.263 -6.399 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.482 2.444 -8.407 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.682 1.373 -7.065 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.397 1.554 -9.073 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.451 1.062 -8.369 1.00 0.00 C ATOM 202 OH TYR A 15 -3.315 0.221 -8.998 1.00 0.00 O ATOM 0 H TYR A 15 0.130 2.948 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 15 1.936 2.294 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.275 4.359 -5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.740 4.386 -7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.926 2.525 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.364 2.848 -8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.532 0.962 -6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.250 1.283 -10.108 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.027 0.089 -9.925 1.00 0.00 H new ATOM 212 N SER A 16 3.495 4.172 -5.845 1.00 0.00 N ATOM 213 CA SER A 16 4.538 5.120 -5.493 1.00 0.00 C ATOM 214 C SER A 16 4.500 6.317 -6.445 1.00 0.00 C ATOM 215 O SER A 16 4.158 6.172 -7.617 1.00 0.00 O ATOM 216 CB SER A 16 5.918 4.459 -5.527 1.00 0.00 C ATOM 217 OG SER A 16 6.536 4.580 -6.805 1.00 0.00 O ATOM 0 H SER A 16 3.680 3.628 -6.688 1.00 0.00 H new ATOM 0 HA SER A 16 4.356 5.466 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.557 4.915 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.821 3.404 -5.269 1.00 0.00 H new ATOM 0 HG SER A 16 7.415 4.147 -6.786 1.00 0.00 H new ATOM 223 N GLU A 17 4.856 7.474 -5.904 1.00 0.00 N ATOM 224 CA GLU A 17 4.866 8.695 -6.691 1.00 0.00 C ATOM 225 C GLU A 17 5.516 8.444 -8.053 1.00 0.00 C ATOM 226 O GLU A 17 4.942 8.774 -9.089 1.00 0.00 O ATOM 227 CB GLU A 17 5.580 9.823 -5.942 1.00 0.00 C ATOM 228 CG GLU A 17 4.586 10.662 -5.137 1.00 0.00 C ATOM 229 CD GLU A 17 4.927 12.151 -5.224 1.00 0.00 C ATOM 230 OE1 GLU A 17 4.822 12.692 -6.345 1.00 0.00 O ATOM 231 OE2 GLU A 17 5.286 12.713 -4.167 1.00 0.00 O ATOM 0 H GLU A 17 5.139 7.591 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 17 3.835 9.007 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.331 9.402 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.107 10.460 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.576 10.494 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.596 10.343 -4.095 1.00 0.00 H new ATOM 238 N ASP A 18 6.706 7.862 -8.007 1.00 0.00 N ATOM 239 CA ASP A 18 7.440 7.563 -9.225 1.00 0.00 C ATOM 240 C ASP A 18 6.518 6.834 -10.205 1.00 0.00 C ATOM 241 O ASP A 18 6.490 7.155 -11.392 1.00 0.00 O ATOM 242 CB ASP A 18 8.637 6.655 -8.937 1.00 0.00 C ATOM 243 CG ASP A 18 9.822 6.826 -9.890 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.562 7.816 -9.704 1.00 0.00 O ATOM 245 OD2 ASP A 18 9.962 5.962 -10.782 1.00 0.00 O ATOM 0 H ASP A 18 7.180 7.590 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 18 7.794 8.504 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.979 6.842 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.305 5.618 -8.977 1.00 0.00 H new ATOM 250 N GLY A 19 5.787 5.866 -9.672 1.00 0.00 N ATOM 251 CA GLY A 19 4.867 5.089 -10.484 1.00 0.00 C ATOM 252 C GLY A 19 4.990 3.596 -10.176 1.00 0.00 C ATOM 253 O GLY A 19 4.033 2.842 -10.346 1.00 0.00 O ATOM 0 H GLY A 19 5.813 5.602 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.845 5.419 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.072 5.264 -11.540 1.00 0.00 H new ATOM 257 N ALA A 20 6.176 3.212 -9.727 1.00 0.00 N ATOM 258 CA ALA A 20 6.437 1.822 -9.393 1.00 0.00 C ATOM 259 C ALA A 20 5.317 1.301 -8.491 1.00 0.00 C ATOM 260 O ALA A 20 5.162 1.759 -7.359 1.00 0.00 O ATOM 261 CB ALA A 20 7.815 1.704 -8.740 1.00 0.00 C ATOM 0 H ALA A 20 6.968 3.840 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 20 6.449 1.206 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.011 0.661 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.578 2.060 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.840 2.306 -7.832 1.00 0.00 H new ATOM 267 N CYS A 21 4.564 0.350 -9.025 1.00 0.00 N ATOM 268 CA CYS A 21 3.463 -0.239 -8.281 1.00 0.00 C ATOM 269 C CYS A 21 3.987 -1.474 -7.545 1.00 0.00 C ATOM 270 O CYS A 21 4.975 -2.076 -7.961 1.00 0.00 O ATOM 271 CB CYS A 21 2.282 -0.576 -9.193 1.00 0.00 C ATOM 272 SG CYS A 21 2.754 -1.900 -10.365 1.00 0.00 S ATOM 0 H CYS A 21 4.695 -0.027 -9.964 1.00 0.00 H new ATOM 0 HA CYS A 21 3.084 0.481 -7.556 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.429 -0.896 -8.594 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.971 0.313 -9.742 1.00 0.00 H new ATOM 0 HG CYS A 21 1.743 -2.180 -11.133 1.00 0.00 H new ATOM 278 N ARG A 22 3.300 -1.814 -6.464 1.00 0.00 N ATOM 279 CA ARG A 22 3.683 -2.966 -5.666 1.00 0.00 C ATOM 280 C ARG A 22 2.566 -3.328 -4.686 1.00 0.00 C ATOM 281 O ARG A 22 1.965 -2.449 -4.071 1.00 0.00 O ATOM 282 CB ARG A 22 4.969 -2.690 -4.883 1.00 0.00 C ATOM 283 CG ARG A 22 4.743 -1.614 -3.819 1.00 0.00 C ATOM 284 CD ARG A 22 6.071 -1.002 -3.368 1.00 0.00 C ATOM 285 NE ARG A 22 6.933 -2.046 -2.771 1.00 0.00 N ATOM 286 CZ ARG A 22 7.880 -2.714 -3.445 1.00 0.00 C ATOM 287 NH1 ARG A 22 8.091 -2.450 -4.742 1.00 0.00 N ATOM 288 NH2 ARG A 22 8.615 -3.645 -2.822 1.00 0.00 N ATOM 0 H ARG A 22 2.481 -1.312 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 22 3.857 -3.799 -6.348 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.314 -3.609 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.754 -2.370 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.095 -0.833 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.228 -2.048 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.577 -0.544 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.888 -0.211 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 22 6.798 -2.271 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.531 -1.741 -5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.811 -2.958 -5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.454 -3.846 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.335 -4.153 -3.335 1.00 0.00 H new ATOM 302 N SER A 23 2.320 -4.625 -4.572 1.00 0.00 N ATOM 303 CA SER A 23 1.285 -5.115 -3.678 1.00 0.00 C ATOM 304 C SER A 23 1.901 -6.024 -2.612 1.00 0.00 C ATOM 305 O SER A 23 2.997 -6.551 -2.799 1.00 0.00 O ATOM 306 CB SER A 23 0.198 -5.864 -4.451 1.00 0.00 C ATOM 307 OG SER A 23 -0.399 -5.050 -5.457 1.00 0.00 O ATOM 0 H SER A 23 2.820 -5.352 -5.084 1.00 0.00 H new ATOM 0 HA SER A 23 0.821 -4.258 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.628 -6.753 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.571 -6.205 -3.757 1.00 0.00 H new ATOM 0 HG SER A 23 -0.767 -5.621 -6.163 1.00 0.00 H new ATOM 313 N VAL A 24 1.169 -6.181 -1.519 1.00 0.00 N ATOM 314 CA VAL A 24 1.630 -7.017 -0.424 1.00 0.00 C ATOM 315 C VAL A 24 0.471 -7.884 0.073 1.00 0.00 C ATOM 316 O VAL A 24 -0.681 -7.454 0.057 1.00 0.00 O ATOM 317 CB VAL A 24 2.241 -6.148 0.677 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.583 -5.562 0.232 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.274 -5.042 1.103 1.00 0.00 C ATOM 0 H VAL A 24 0.260 -5.743 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 24 2.418 -7.690 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 24 2.424 -6.784 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.996 -4.949 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.275 -6.372 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.435 -4.948 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.733 -4.439 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.045 -4.409 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.354 -5.488 1.481 1.00 0.00 H new ATOM 329 N GLU A 25 0.817 -9.088 0.503 1.00 0.00 N ATOM 330 CA GLU A 25 -0.181 -10.019 1.004 1.00 0.00 C ATOM 331 C GLU A 25 -0.423 -9.785 2.497 1.00 0.00 C ATOM 332 O GLU A 25 0.433 -10.095 3.324 1.00 0.00 O ATOM 333 CB GLU A 25 0.237 -11.466 0.736 1.00 0.00 C ATOM 334 CG GLU A 25 -0.744 -12.152 -0.217 1.00 0.00 C ATOM 335 CD GLU A 25 -0.807 -13.657 0.050 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.260 -14.019 1.158 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.400 -14.412 -0.859 1.00 0.00 O ATOM 0 H GLU A 25 1.774 -9.441 0.515 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.116 -9.841 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.239 -11.486 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.281 -12.016 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.736 -11.716 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.439 -11.975 -1.248 1.00 0.00 H new ATOM 344 N VAL A 26 -1.593 -9.240 2.796 1.00 0.00 N ATOM 345 CA VAL A 26 -1.958 -8.962 4.174 1.00 0.00 C ATOM 346 C VAL A 26 -3.306 -9.617 4.483 1.00 0.00 C ATOM 347 O VAL A 26 -3.964 -10.143 3.586 1.00 0.00 O ATOM 348 CB VAL A 26 -1.957 -7.452 4.421 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.559 -6.864 4.218 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.982 -6.750 3.527 1.00 0.00 C ATOM 0 H VAL A 26 -2.300 -8.984 2.107 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.224 -9.391 4.857 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.244 -7.282 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.586 -5.790 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.137 -7.332 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.231 -7.051 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.961 -5.678 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.738 -6.933 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.978 -7.138 3.741 1.00 0.00 H new ATOM 360 N ALA A 27 -3.676 -9.565 5.754 1.00 0.00 N ATOM 361 CA ALA A 27 -4.933 -10.147 6.191 1.00 0.00 C ATOM 362 C ALA A 27 -5.612 -9.199 7.182 1.00 0.00 C ATOM 363 O ALA A 27 -4.947 -8.388 7.825 1.00 0.00 O ATOM 364 CB ALA A 27 -4.674 -11.530 6.792 1.00 0.00 C ATOM 0 H ALA A 27 -3.127 -9.129 6.495 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.608 -10.280 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.617 -11.967 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.218 -12.174 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.002 -11.436 7.645 1.00 0.00 H new ATOM 370 N ALA A 28 -6.926 -9.333 7.275 1.00 0.00 N ATOM 371 CA ALA A 28 -7.702 -8.499 8.177 1.00 0.00 C ATOM 372 C ALA A 28 -6.959 -8.366 9.508 1.00 0.00 C ATOM 373 O ALA A 28 -7.041 -9.250 10.359 1.00 0.00 O ATOM 374 CB ALA A 28 -9.101 -9.094 8.347 1.00 0.00 C ATOM 0 H ALA A 28 -7.474 -10.007 6.740 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.822 -7.497 7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.683 -8.468 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.597 -9.139 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.021 -10.099 8.761 1.00 0.00 H new ATOM 380 N GLY A 29 -6.251 -7.255 9.646 1.00 0.00 N ATOM 381 CA GLY A 29 -5.494 -6.995 10.859 1.00 0.00 C ATOM 382 C GLY A 29 -4.409 -5.945 10.614 1.00 0.00 C ATOM 383 O GLY A 29 -4.315 -4.961 11.345 1.00 0.00 O ATOM 0 H GLY A 29 -6.185 -6.524 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.167 -6.651 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.037 -7.920 11.212 1.00 0.00 H new ATOM 387 N ALA A 30 -3.615 -6.191 9.581 1.00 0.00 N ATOM 388 CA ALA A 30 -2.540 -5.279 9.230 1.00 0.00 C ATOM 389 C ALA A 30 -3.100 -3.861 9.103 1.00 0.00 C ATOM 390 O ALA A 30 -4.244 -3.677 8.690 1.00 0.00 O ATOM 391 CB ALA A 30 -1.865 -5.756 7.943 1.00 0.00 C ATOM 0 H ALA A 30 -3.695 -7.009 8.977 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.780 -5.264 10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.059 -5.072 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.458 -6.756 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.597 -5.781 7.136 1.00 0.00 H new ATOM 397 N THR A 31 -2.269 -2.895 9.466 1.00 0.00 N ATOM 398 CA THR A 31 -2.667 -1.500 9.398 1.00 0.00 C ATOM 399 C THR A 31 -1.824 -0.754 8.362 1.00 0.00 C ATOM 400 O THR A 31 -1.012 -1.361 7.665 1.00 0.00 O ATOM 401 CB THR A 31 -2.562 -0.909 10.806 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.173 -0.634 10.964 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.865 -1.937 11.897 1.00 0.00 C ATOM 0 H THR A 31 -1.321 -3.052 9.808 1.00 0.00 H new ATOM 0 HA THR A 31 -3.700 -1.400 9.063 1.00 0.00 H new ATOM 0 HB THR A 31 -3.250 -0.069 10.899 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.054 0.298 11.243 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.776 -1.466 12.876 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.878 -2.317 11.768 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.156 -2.762 11.826 1.00 0.00 H new ATOM 411 N ALA A 32 -2.046 0.550 8.293 1.00 0.00 N ATOM 412 CA ALA A 32 -1.317 1.384 7.353 1.00 0.00 C ATOM 413 C ALA A 32 0.173 1.349 7.696 1.00 0.00 C ATOM 414 O ALA A 32 1.009 1.761 6.893 1.00 0.00 O ATOM 415 CB ALA A 32 -1.888 2.804 7.380 1.00 0.00 C ATOM 0 H ALA A 32 -2.720 1.050 8.873 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.431 1.006 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.341 3.430 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.941 2.778 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.789 3.217 8.384 1.00 0.00 H new ATOM 421 N ARG A 33 0.461 0.853 8.891 1.00 0.00 N ATOM 422 CA ARG A 33 1.836 0.759 9.350 1.00 0.00 C ATOM 423 C ARG A 33 2.473 -0.543 8.857 1.00 0.00 C ATOM 424 O ARG A 33 3.609 -0.543 8.387 1.00 0.00 O ATOM 425 CB ARG A 33 1.912 0.809 10.877 1.00 0.00 C ATOM 426 CG ARG A 33 3.194 0.147 11.385 1.00 0.00 C ATOM 427 CD ARG A 33 4.433 0.854 10.830 1.00 0.00 C ATOM 428 NE ARG A 33 5.432 1.043 11.904 1.00 0.00 N ATOM 429 CZ ARG A 33 5.353 1.993 12.846 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.320 2.846 12.851 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.307 2.090 13.782 1.00 0.00 N ATOM 0 H ARG A 33 -0.235 0.512 9.555 1.00 0.00 H new ATOM 0 HA ARG A 33 2.380 1.611 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.876 1.845 11.213 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.045 0.306 11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.214 0.173 12.475 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.207 -0.902 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.865 0.266 10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.153 1.820 10.409 1.00 0.00 H new ATOM 0 HE ARG A 33 6.232 0.410 11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.594 2.772 12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.259 3.569 13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.094 1.441 13.778 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.247 2.813 14.499 1.00 0.00 H new ATOM 445 N HIS A 34 1.712 -1.620 8.983 1.00 0.00 N ATOM 446 CA HIS A 34 2.187 -2.926 8.556 1.00 0.00 C ATOM 447 C HIS A 34 2.735 -2.832 7.130 1.00 0.00 C ATOM 448 O HIS A 34 3.848 -3.279 6.858 1.00 0.00 O ATOM 449 CB HIS A 34 1.086 -3.978 8.700 1.00 0.00 C ATOM 450 CG HIS A 34 1.109 -4.715 10.018 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.878 -4.089 11.231 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.338 -6.030 10.300 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.967 -4.996 12.193 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.252 -6.198 11.614 1.00 0.00 N ATOM 0 H HIS A 34 0.770 -1.616 9.374 1.00 0.00 H new ATOM 0 HA HIS A 34 3.004 -3.249 9.201 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.117 -3.493 8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.180 -4.701 7.890 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.553 -6.803 9.577 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.837 -4.815 13.250 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.378 -7.081 12.109 1.00 0.00 H new ATOM 462 N VAL A 35 1.927 -2.247 6.258 1.00 0.00 N ATOM 463 CA VAL A 35 2.316 -2.088 4.867 1.00 0.00 C ATOM 464 C VAL A 35 3.657 -1.354 4.798 1.00 0.00 C ATOM 465 O VAL A 35 4.605 -1.842 4.184 1.00 0.00 O ATOM 466 CB VAL A 35 1.206 -1.379 4.090 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.648 -1.072 2.658 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.083 -2.203 4.101 1.00 0.00 C ATOM 0 H VAL A 35 1.005 -1.877 6.488 1.00 0.00 H new ATOM 0 HA VAL A 35 2.453 -3.061 4.395 1.00 0.00 H new ATOM 0 HB VAL A 35 1.002 -0.431 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.840 -0.568 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.526 -0.427 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.893 -2.002 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.856 -1.676 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.101 -3.173 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.414 -2.347 5.130 1.00 0.00 H new ATOM 478 N CYS A 36 3.693 -0.194 5.436 1.00 0.00 N ATOM 479 CA CYS A 36 4.902 0.613 5.455 1.00 0.00 C ATOM 480 C CYS A 36 6.083 -0.300 5.791 1.00 0.00 C ATOM 481 O CYS A 36 7.053 -0.369 5.038 1.00 0.00 O ATOM 482 CB CYS A 36 4.787 1.782 6.435 1.00 0.00 C ATOM 483 SG CYS A 36 6.303 2.806 6.368 1.00 0.00 S ATOM 0 H CYS A 36 2.905 0.207 5.944 1.00 0.00 H new ATOM 0 HA CYS A 36 5.058 1.062 4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.916 2.390 6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.637 1.406 7.447 1.00 0.00 H new ATOM 0 HG CYS A 36 6.366 3.414 5.221 1.00 0.00 H new ATOM 489 N GLU A 37 5.962 -0.978 6.923 1.00 0.00 N ATOM 490 CA GLU A 37 7.008 -1.883 7.369 1.00 0.00 C ATOM 491 C GLU A 37 7.333 -2.899 6.272 1.00 0.00 C ATOM 492 O GLU A 37 8.494 -3.067 5.901 1.00 0.00 O ATOM 493 CB GLU A 37 6.607 -2.587 8.667 1.00 0.00 C ATOM 494 CG GLU A 37 7.010 -1.757 9.887 1.00 0.00 C ATOM 495 CD GLU A 37 8.461 -2.034 10.284 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.339 -1.802 9.425 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.661 -2.471 11.438 1.00 0.00 O ATOM 0 H GLU A 37 5.156 -0.919 7.545 1.00 0.00 H new ATOM 0 HA GLU A 37 7.905 -1.298 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.530 -2.755 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.083 -3.567 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.886 -0.697 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.350 -1.989 10.723 1.00 0.00 H new ATOM 504 N MET A 38 6.288 -3.550 5.784 1.00 0.00 N ATOM 505 CA MET A 38 6.448 -4.545 4.737 1.00 0.00 C ATOM 506 C MET A 38 7.158 -3.950 3.519 1.00 0.00 C ATOM 507 O MET A 38 8.189 -4.461 3.086 1.00 0.00 O ATOM 508 CB MET A 38 5.074 -5.073 4.319 1.00 0.00 C ATOM 509 CG MET A 38 4.375 -5.769 5.489 1.00 0.00 C ATOM 510 SD MET A 38 2.605 -5.598 5.332 1.00 0.00 S ATOM 511 CE MET A 38 2.310 -6.687 3.949 1.00 0.00 C ATOM 0 H MET A 38 5.327 -3.408 6.094 1.00 0.00 H new ATOM 0 HA MET A 38 7.057 -5.360 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.457 -4.249 3.961 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.186 -5.772 3.490 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.646 -6.825 5.509 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.708 -5.336 6.432 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.593 -6.226 3.270 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.246 -6.866 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.910 -7.634 4.311 1.00 0.00 H new ATOM 521 N LEU A 39 6.577 -2.877 3.001 1.00 0.00 N ATOM 522 CA LEU A 39 7.142 -2.207 1.842 1.00 0.00 C ATOM 523 C LEU A 39 8.583 -1.794 2.148 1.00 0.00 C ATOM 524 O LEU A 39 9.505 -2.164 1.424 1.00 0.00 O ATOM 525 CB LEU A 39 6.248 -1.044 1.408 1.00 0.00 C ATOM 526 CG LEU A 39 4.795 -1.399 1.083 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.987 -0.145 0.742 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.723 -2.448 -0.028 1.00 0.00 C ATOM 0 H LEU A 39 5.721 -2.456 3.363 1.00 0.00 H new ATOM 0 HA LEU A 39 7.179 -2.886 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.250 -0.295 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.693 -0.578 0.528 1.00 0.00 H new ATOM 0 HG LEU A 39 4.344 -1.840 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.958 -0.425 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.998 0.537 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.428 0.348 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.680 -2.683 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.197 -2.057 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.241 -3.352 0.291 1.00 0.00 H new ATOM 540 N VAL A 40 8.731 -1.033 3.223 1.00 0.00 N ATOM 541 CA VAL A 40 10.044 -0.566 3.634 1.00 0.00 C ATOM 542 C VAL A 40 11.024 -1.740 3.624 1.00 0.00 C ATOM 543 O VAL A 40 12.049 -1.692 2.945 1.00 0.00 O ATOM 544 CB VAL A 40 9.951 0.124 4.996 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.328 0.223 5.655 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.304 1.505 4.869 1.00 0.00 C ATOM 0 H VAL A 40 7.963 -0.728 3.822 1.00 0.00 H new ATOM 0 HA VAL A 40 10.422 0.178 2.933 1.00 0.00 H new ATOM 0 HB VAL A 40 9.315 -0.486 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.234 0.717 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.736 -0.778 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.997 0.800 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.250 1.973 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.902 2.127 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.298 1.400 4.462 1.00 0.00 H new ATOM 705 N TRP A 51 7.180 7.903 7.585 1.00 0.00 N ATOM 706 CA TRP A 51 6.529 7.239 6.468 1.00 0.00 C ATOM 707 C TRP A 51 5.085 6.938 6.874 1.00 0.00 C ATOM 708 O TRP A 51 4.727 7.058 8.045 1.00 0.00 O ATOM 709 CB TRP A 51 7.304 5.990 6.045 1.00 0.00 C ATOM 710 CG TRP A 51 8.560 6.286 5.223 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.792 6.566 5.670 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.657 6.319 3.783 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.672 6.777 4.628 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.960 6.622 3.444 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.676 6.101 2.800 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.402 6.734 2.121 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.134 6.216 1.482 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.442 6.520 1.124 1.00 0.00 C ATOM 0 HA TRP A 51 6.517 7.884 5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.589 5.432 6.937 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.645 5.346 5.463 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.062 6.620 6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.663 7.005 4.711 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.651 5.864 3.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.428 6.973 1.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.420 6.057 0.687 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.717 6.591 0.082 1.00 0.00 H new ATOM 729 N GLY A 52 4.294 6.552 5.884 1.00 0.00 N ATOM 730 CA GLY A 52 2.897 6.233 6.123 1.00 0.00 C ATOM 731 C GLY A 52 2.160 5.976 4.807 1.00 0.00 C ATOM 732 O GLY A 52 2.771 5.975 3.739 1.00 0.00 O ATOM 0 H GLY A 52 4.594 6.453 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.826 5.353 6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.419 7.054 6.657 1.00 0.00 H new ATOM 736 N LEU A 53 0.857 5.765 4.926 1.00 0.00 N ATOM 737 CA LEU A 53 0.031 5.508 3.760 1.00 0.00 C ATOM 738 C LEU A 53 -0.847 6.730 3.482 1.00 0.00 C ATOM 739 O LEU A 53 -1.239 7.440 4.407 1.00 0.00 O ATOM 740 CB LEU A 53 -0.761 4.211 3.939 1.00 0.00 C ATOM 741 CG LEU A 53 -0.215 2.985 3.204 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.211 1.825 3.258 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.178 3.337 1.767 1.00 0.00 C ATOM 0 H LEU A 53 0.354 5.767 5.813 1.00 0.00 H new ATOM 0 HA LEU A 53 0.654 5.355 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.808 3.981 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.784 4.384 3.605 1.00 0.00 H new ATOM 0 HG LEU A 53 0.690 2.656 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.799 0.966 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.399 1.555 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.147 2.127 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.563 2.448 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.696 3.705 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.948 4.109 1.779 1.00 0.00 H new ATOM 755 N VAL A 54 -1.128 6.939 2.204 1.00 0.00 N ATOM 756 CA VAL A 54 -1.952 8.063 1.793 1.00 0.00 C ATOM 757 C VAL A 54 -2.954 7.597 0.735 1.00 0.00 C ATOM 758 O VAL A 54 -2.564 7.217 -0.368 1.00 0.00 O ATOM 759 CB VAL A 54 -1.065 9.213 1.311 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.910 10.362 0.758 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.142 9.700 2.430 1.00 0.00 C ATOM 0 H VAL A 54 -0.800 6.349 1.440 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.526 8.444 2.638 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.440 8.837 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.255 11.166 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.505 10.004 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.572 10.735 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.477 10.517 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.742 10.050 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.497 8.880 2.757 1.00 0.00 H new ATOM 771 N GLU A 55 -4.224 7.640 1.109 1.00 0.00 N ATOM 772 CA GLU A 55 -5.284 7.226 0.206 1.00 0.00 C ATOM 773 C GLU A 55 -5.471 8.263 -0.903 1.00 0.00 C ATOM 774 O GLU A 55 -5.636 9.450 -0.627 1.00 0.00 O ATOM 775 CB GLU A 55 -6.592 6.994 0.966 1.00 0.00 C ATOM 776 CG GLU A 55 -7.166 8.313 1.485 1.00 0.00 C ATOM 777 CD GLU A 55 -7.903 8.107 2.810 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.275 7.532 3.725 1.00 0.00 O ATOM 779 OE2 GLU A 55 -9.078 8.528 2.878 1.00 0.00 O ATOM 0 H GLU A 55 -4.543 7.955 2.025 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.996 6.280 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.317 6.511 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.416 6.316 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.361 9.035 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.849 8.732 0.746 1.00 0.00 H new ATOM 786 N CYS A 56 -5.439 7.776 -2.135 1.00 0.00 N ATOM 787 CA CYS A 56 -5.603 8.646 -3.288 1.00 0.00 C ATOM 788 C CYS A 56 -6.984 8.386 -3.894 1.00 0.00 C ATOM 789 O CYS A 56 -7.443 7.245 -3.933 1.00 0.00 O ATOM 790 CB CYS A 56 -4.484 8.446 -4.311 1.00 0.00 C ATOM 791 SG CYS A 56 -3.190 9.719 -4.080 1.00 0.00 S ATOM 0 H CYS A 56 -5.302 6.791 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.536 9.687 -2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.052 7.452 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.889 8.506 -5.321 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.354 9.674 -5.075 1.00 0.00 H new ATOM 797 N HIS A 57 -7.607 9.462 -4.351 1.00 0.00 N ATOM 798 CA HIS A 57 -8.925 9.364 -4.953 1.00 0.00 C ATOM 799 C HIS A 57 -8.838 9.712 -6.440 1.00 0.00 C ATOM 800 O HIS A 57 -8.899 10.883 -6.812 1.00 0.00 O ATOM 801 CB HIS A 57 -9.933 10.234 -4.199 1.00 0.00 C ATOM 802 CG HIS A 57 -10.249 9.741 -2.807 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.477 8.407 -2.518 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.371 10.417 -1.628 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.726 8.296 -1.221 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.659 9.543 -0.672 1.00 0.00 N ATOM 0 H HIS A 57 -7.223 10.406 -4.316 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.288 8.339 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.544 11.250 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.857 10.283 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.253 11.482 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.944 7.380 -0.692 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.806 9.767 0.312 1.00 0.00 H new ATOM 814 N PRO A 58 -8.692 8.647 -7.273 1.00 0.00 N ATOM 815 CA PRO A 58 -8.595 8.828 -8.711 1.00 0.00 C ATOM 816 C PRO A 58 -9.962 9.157 -9.315 1.00 0.00 C ATOM 817 O PRO A 58 -10.429 8.464 -10.218 1.00 0.00 O ATOM 818 CB PRO A 58 -8.013 7.525 -9.234 1.00 0.00 C ATOM 819 CG PRO A 58 -8.239 6.498 -8.136 1.00 0.00 C ATOM 820 CD PRO A 58 -8.616 7.246 -6.868 1.00 0.00 C ATOM 0 HA PRO A 58 -7.961 9.671 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.503 7.222 -10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.951 7.633 -9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.030 5.804 -8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.338 5.906 -7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.569 6.896 -6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.871 7.100 -6.086 1.00 0.00 H new ATOM 828 N HIS A 59 -10.565 10.215 -8.793 1.00 0.00 N ATOM 829 CA HIS A 59 -11.869 10.645 -9.270 1.00 0.00 C ATOM 830 C HIS A 59 -12.179 12.042 -8.728 1.00 0.00 C ATOM 831 O HIS A 59 -12.694 12.892 -9.452 1.00 0.00 O ATOM 832 CB HIS A 59 -12.944 9.617 -8.911 1.00 0.00 C ATOM 833 CG HIS A 59 -12.937 9.204 -7.458 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.802 8.745 -6.815 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.939 9.186 -6.532 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.117 8.465 -5.558 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.442 8.739 -5.386 1.00 0.00 N ATOM 0 H HIS A 59 -10.175 10.787 -8.044 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.859 10.710 -10.358 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.923 10.029 -9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.807 8.731 -9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.963 9.485 -6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.443 8.087 -4.803 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.965 8.620 -4.518 1.00 0.00 H new ATOM 845 N LEU A 60 -11.851 12.235 -7.459 1.00 0.00 N ATOM 846 CA LEU A 60 -12.088 13.514 -6.811 1.00 0.00 C ATOM 847 C LEU A 60 -10.767 14.279 -6.703 1.00 0.00 C ATOM 848 O LEU A 60 -10.743 15.423 -6.252 1.00 0.00 O ATOM 849 CB LEU A 60 -12.794 13.312 -5.469 1.00 0.00 C ATOM 850 CG LEU A 60 -13.630 12.038 -5.335 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.331 11.982 -3.977 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.619 11.907 -6.496 1.00 0.00 C ATOM 0 H LEU A 60 -11.423 11.527 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.762 14.126 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.041 13.313 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.443 14.169 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.958 11.182 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.918 11.066 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.586 11.996 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.989 12.844 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.201 10.993 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.290 12.766 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.072 11.868 -7.438 1.00 0.00 H new ATOM 864 N ALA A 61 -9.700 13.615 -7.125 1.00 0.00 N ATOM 865 CA ALA A 61 -8.379 14.218 -7.081 1.00 0.00 C ATOM 866 C ALA A 61 -8.097 14.715 -5.661 1.00 0.00 C ATOM 867 O ALA A 61 -7.706 15.865 -5.469 1.00 0.00 O ATOM 868 CB ALA A 61 -8.295 15.339 -8.119 1.00 0.00 C ATOM 0 H ALA A 61 -9.724 12.666 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.613 13.484 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.304 15.792 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.474 14.929 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.047 16.096 -7.898 1.00 0.00 H new ATOM 874 N LEU A 62 -8.305 13.823 -4.704 1.00 0.00 N ATOM 875 CA LEU A 62 -8.078 14.157 -3.308 1.00 0.00 C ATOM 876 C LEU A 62 -6.931 13.302 -2.764 1.00 0.00 C ATOM 877 O LEU A 62 -6.578 12.283 -3.355 1.00 0.00 O ATOM 878 CB LEU A 62 -9.376 14.026 -2.508 1.00 0.00 C ATOM 879 CG LEU A 62 -9.796 15.259 -1.706 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.263 16.383 -2.633 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.857 14.899 -0.663 1.00 0.00 C ATOM 0 H LEU A 62 -8.628 12.869 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.774 15.199 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.181 13.774 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.272 13.187 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.924 15.628 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.556 17.248 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.451 16.663 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.116 16.041 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.138 15.793 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.736 14.492 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.454 14.156 0.025 1.00 0.00 H new ATOM 893 N GLU A 63 -6.382 13.750 -1.645 1.00 0.00 N ATOM 894 CA GLU A 63 -5.282 13.039 -1.015 1.00 0.00 C ATOM 895 C GLU A 63 -5.397 13.126 0.508 1.00 0.00 C ATOM 896 O GLU A 63 -5.163 14.182 1.093 1.00 0.00 O ATOM 897 CB GLU A 63 -3.934 13.580 -1.494 1.00 0.00 C ATOM 898 CG GLU A 63 -3.761 13.366 -3.000 1.00 0.00 C ATOM 899 CD GLU A 63 -4.108 14.637 -3.777 1.00 0.00 C ATOM 900 OE1 GLU A 63 -5.188 15.199 -3.494 1.00 0.00 O ATOM 901 OE2 GLU A 63 -3.285 15.019 -4.637 1.00 0.00 O ATOM 0 H GLU A 63 -6.678 14.596 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.340 11.990 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.862 14.643 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.127 13.082 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.733 13.074 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.400 12.547 -3.331 1.00 0.00 H new ATOM 908 N ARG A 64 -5.759 12.000 1.107 1.00 0.00 N ATOM 909 CA ARG A 64 -5.908 11.936 2.551 1.00 0.00 C ATOM 910 C ARG A 64 -4.882 10.971 3.148 1.00 0.00 C ATOM 911 O ARG A 64 -4.585 9.933 2.559 1.00 0.00 O ATOM 912 CB ARG A 64 -7.315 11.477 2.939 1.00 0.00 C ATOM 913 CG ARG A 64 -7.520 11.557 4.454 1.00 0.00 C ATOM 914 CD ARG A 64 -8.393 12.757 4.826 1.00 0.00 C ATOM 915 NE ARG A 64 -9.771 12.555 4.327 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.821 13.302 4.695 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.656 14.305 5.568 1.00 0.00 N ATOM 918 NH2 ARG A 64 -12.036 13.046 4.191 1.00 0.00 N ATOM 0 H ARG A 64 -5.953 11.126 0.619 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.743 12.938 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.056 12.098 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.474 10.453 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.987 10.639 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.554 11.637 4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.405 12.887 5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.973 13.668 4.400 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.932 11.800 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.731 14.500 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.455 14.874 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.162 12.282 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.835 13.615 4.472 1.00 0.00 H new ATOM 932 N GLY A 65 -4.368 11.348 4.310 1.00 0.00 N ATOM 933 CA GLY A 65 -3.382 10.529 4.993 1.00 0.00 C ATOM 934 C GLY A 65 -3.984 9.866 6.233 1.00 0.00 C ATOM 935 O GLY A 65 -4.757 10.487 6.961 1.00 0.00 O ATOM 0 H GLY A 65 -4.616 12.210 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.006 9.764 4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.530 11.145 5.283 1.00 0.00 H new ATOM 939 N LEU A 66 -3.607 8.612 6.436 1.00 0.00 N ATOM 940 CA LEU A 66 -4.100 7.857 7.576 1.00 0.00 C ATOM 941 C LEU A 66 -2.925 7.485 8.483 1.00 0.00 C ATOM 942 O LEU A 66 -1.795 7.347 8.016 1.00 0.00 O ATOM 943 CB LEU A 66 -4.920 6.654 7.107 1.00 0.00 C ATOM 944 CG LEU A 66 -4.226 5.714 6.119 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.744 4.282 6.269 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.366 6.226 4.684 1.00 0.00 C ATOM 0 H LEU A 66 -2.966 8.100 5.830 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.781 8.466 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.214 6.076 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.837 7.022 6.646 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.162 5.698 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.235 3.634 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.550 3.929 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.817 4.261 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.864 5.540 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.422 6.290 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.912 7.214 4.604 1.00 0.00 H new ATOM 958 N GLU A 67 -3.232 7.334 9.763 1.00 0.00 N ATOM 959 CA GLU A 67 -2.215 6.980 10.739 1.00 0.00 C ATOM 960 C GLU A 67 -1.821 5.510 10.587 1.00 0.00 C ATOM 961 O GLU A 67 -2.226 4.851 9.630 1.00 0.00 O ATOM 962 CB GLU A 67 -2.696 7.274 12.162 1.00 0.00 C ATOM 963 CG GLU A 67 -2.092 8.579 12.686 1.00 0.00 C ATOM 964 CD GLU A 67 -1.236 8.327 13.929 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.322 7.481 13.826 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.516 8.986 14.953 1.00 0.00 O ATOM 0 H GLU A 67 -4.170 7.450 10.147 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.333 7.593 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.784 7.341 12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.419 6.451 12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.483 9.040 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.889 9.282 12.926 1.00 0.00 H new ATOM 973 N ASP A 68 -1.036 5.039 11.544 1.00 0.00 N ATOM 974 CA ASP A 68 -0.582 3.658 11.528 1.00 0.00 C ATOM 975 C ASP A 68 -1.701 2.753 12.047 1.00 0.00 C ATOM 976 O ASP A 68 -2.074 1.783 11.389 1.00 0.00 O ATOM 977 CB ASP A 68 0.638 3.469 12.432 1.00 0.00 C ATOM 978 CG ASP A 68 0.641 4.323 13.702 1.00 0.00 C ATOM 979 OD1 ASP A 68 0.004 3.883 14.683 1.00 0.00 O ATOM 980 OD2 ASP A 68 1.279 5.397 13.661 1.00 0.00 O ATOM 0 H ASP A 68 -0.702 5.589 12.336 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.314 3.402 10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.700 2.419 12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.536 3.696 11.857 1.00 0.00 H new ATOM 985 N HIS A 69 -2.204 3.101 13.222 1.00 0.00 N ATOM 986 CA HIS A 69 -3.272 2.331 13.837 1.00 0.00 C ATOM 987 C HIS A 69 -4.422 2.163 12.842 1.00 0.00 C ATOM 988 O HIS A 69 -5.178 1.196 12.919 1.00 0.00 O ATOM 989 CB HIS A 69 -3.716 2.973 15.153 1.00 0.00 C ATOM 990 CG HIS A 69 -4.593 4.190 14.978 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.082 5.468 14.838 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.951 4.309 14.920 1.00 0.00 C ATOM 993 CE1 HIS A 69 -5.096 6.311 14.704 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.253 5.591 14.756 1.00 0.00 N ATOM 0 H HIS A 69 -1.892 3.906 13.765 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.908 1.335 14.090 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.255 2.232 15.743 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.832 3.254 15.725 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.660 3.498 14.995 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.019 7.381 14.576 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.195 5.974 14.681 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.517 3.120 11.930 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.562 3.090 10.921 1.00 0.00 C ATOM 1004 C GLU A 70 -5.491 1.787 10.122 1.00 0.00 C ATOM 1005 O GLU A 70 -4.429 1.416 9.626 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.466 4.306 9.997 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.055 5.550 10.665 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.574 5.433 10.801 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.009 4.840 11.812 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.267 5.939 9.892 1.00 0.00 O ATOM 0 H GLU A 70 -3.888 3.920 11.869 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.528 3.132 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.423 4.488 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.996 4.103 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.608 5.684 11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.806 6.434 10.078 1.00 0.00 H new ATOM 1017 N SER A 71 -6.637 1.129 10.022 1.00 0.00 N ATOM 1018 CA SER A 71 -6.718 -0.124 9.292 1.00 0.00 C ATOM 1019 C SER A 71 -6.954 0.150 7.805 1.00 0.00 C ATOM 1020 O SER A 71 -7.998 0.680 7.426 1.00 0.00 O ATOM 1021 CB SER A 71 -7.829 -1.016 9.850 1.00 0.00 C ATOM 1022 OG SER A 71 -7.349 -1.899 10.859 1.00 0.00 O ATOM 0 H SER A 71 -7.516 1.440 10.434 1.00 0.00 H new ATOM 0 HA SER A 71 -5.771 -0.651 9.412 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.622 -0.392 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.269 -1.597 9.039 1.00 0.00 H new ATOM 0 HG SER A 71 -8.035 -2.009 11.550 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.967 -0.222 7.003 1.00 0.00 N ATOM 1029 CA VAL A 72 -6.055 -0.022 5.567 1.00 0.00 C ATOM 1030 C VAL A 72 -7.383 -0.586 5.058 1.00 0.00 C ATOM 1031 O VAL A 72 -8.042 0.029 4.221 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.838 -0.644 4.877 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.657 0.329 4.868 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.452 -1.969 5.536 1.00 0.00 C ATOM 0 H VAL A 72 -5.103 -0.661 7.321 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.040 1.041 5.328 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.109 -0.852 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.805 -0.137 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.937 1.236 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.386 0.582 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.585 -2.390 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.209 -1.797 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.287 -2.666 5.467 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.736 -1.749 5.584 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.974 -2.402 5.194 1.00 0.00 C ATOM 1046 C VAL A 73 -10.160 -1.538 5.625 1.00 0.00 C ATOM 1047 O VAL A 73 -11.002 -1.178 4.804 1.00 0.00 O ATOM 1048 CB VAL A 73 -9.024 -3.818 5.772 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.260 -4.570 5.275 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.744 -4.589 5.445 1.00 0.00 C ATOM 0 H VAL A 73 -7.186 -2.256 6.277 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.025 -2.506 4.110 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.097 -3.735 6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.271 -5.573 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.159 -4.036 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.232 -4.638 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.805 -5.592 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.627 -4.657 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.887 -4.068 5.871 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.189 -1.230 6.914 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.258 -0.414 7.465 1.00 0.00 C ATOM 1062 C GLU A 74 -11.370 0.904 6.696 1.00 0.00 C ATOM 1063 O GLU A 74 -12.472 1.372 6.418 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.041 -0.162 8.958 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.075 -1.473 9.746 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.212 -1.207 11.247 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -12.354 -0.926 11.671 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -10.172 -1.290 11.935 1.00 0.00 O ATOM 0 H GLU A 74 -9.489 -1.531 7.592 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.197 -0.957 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.082 0.334 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.812 0.512 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.909 -2.086 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.164 -2.040 9.555 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.213 1.465 6.376 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.167 2.720 5.645 1.00 0.00 C ATOM 1077 C VAL A 75 -10.463 2.456 4.167 1.00 0.00 C ATOM 1078 O VAL A 75 -10.963 3.333 3.464 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.820 3.408 5.871 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.705 4.679 5.027 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.602 3.713 7.354 1.00 0.00 C ATOM 0 H VAL A 75 -9.300 1.074 6.610 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.932 3.404 6.012 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.036 2.722 5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.738 5.149 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.794 4.424 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.501 5.371 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.637 4.202 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.394 4.371 7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.619 2.783 7.923 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.143 1.243 3.740 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.369 0.853 2.359 1.00 0.00 C ATOM 1093 C GLN A 76 -11.847 0.530 2.133 1.00 0.00 C ATOM 1094 O GLN A 76 -12.376 0.753 1.045 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.483 -0.333 1.973 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.079 -1.101 0.791 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.977 -1.653 -0.116 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.726 -1.159 -1.202 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.336 -2.703 0.390 1.00 0.00 N ATOM 0 H GLN A 76 -9.729 0.518 4.326 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.099 1.691 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.486 0.023 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.372 -1.001 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.696 -1.920 1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.732 -0.443 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.597 -3.067 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.583 -3.144 -0.139 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.472 0.009 3.179 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.879 -0.348 3.108 1.00 0.00 C ATOM 1110 C ALA A 77 -14.727 0.925 3.172 1.00 0.00 C ATOM 1111 O ALA A 77 -15.827 0.970 2.623 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.215 -1.329 4.233 1.00 0.00 C ATOM 0 H ALA A 77 -12.030 -0.174 4.080 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.101 -0.846 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.270 -1.596 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.607 -2.227 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.007 -0.863 5.196 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.183 1.927 3.847 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.875 3.196 3.989 1.00 0.00 C ATOM 1120 C ALA A 78 -15.098 3.809 2.605 1.00 0.00 C ATOM 1121 O ALA A 78 -16.153 4.385 2.340 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.071 4.116 4.911 1.00 0.00 C ATOM 0 H ALA A 78 -13.271 1.885 4.302 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.854 3.050 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.590 5.068 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.966 3.648 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.083 4.287 4.483 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.089 3.664 1.759 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.162 4.195 0.409 1.00 0.00 C ATOM 1130 C TRP A 79 -15.511 3.788 -0.187 1.00 0.00 C ATOM 1131 O TRP A 79 -16.028 2.714 0.115 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.971 3.727 -0.430 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.613 4.170 0.117 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.361 5.100 1.048 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.321 3.660 -0.275 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -10.007 5.226 1.285 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.355 4.322 0.454 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.980 2.671 -1.215 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.984 4.069 0.320 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.606 2.429 -1.337 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.621 3.088 -0.610 1.00 0.00 C ATOM 0 H TRP A 79 -13.216 3.186 1.983 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.100 5.283 0.419 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.989 2.639 -0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.084 4.106 -1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.122 5.679 1.550 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.566 5.864 1.947 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.719 2.140 -1.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.247 4.602 0.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.289 1.678 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.580 2.844 -0.762 1.00 0.00 H new ATOM 1152 N PRO A 80 -16.055 4.690 -1.047 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.334 4.435 -1.689 1.00 0.00 C ATOM 1154 C PRO A 80 -17.189 3.404 -2.809 1.00 0.00 C ATOM 1155 O PRO A 80 -16.076 3.094 -3.233 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.801 5.793 -2.188 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.563 6.674 -2.220 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.471 5.972 -1.429 1.00 0.00 C ATOM 0 HA PRO A 80 -18.067 4.002 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.248 5.712 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.561 6.211 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.241 6.843 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.779 7.651 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.573 5.834 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.182 6.552 -0.553 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.329 2.900 -3.258 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.343 1.910 -4.321 1.00 0.00 C ATOM 1168 C VAL A 81 -17.751 2.524 -5.592 1.00 0.00 C ATOM 1169 O VAL A 81 -16.818 1.974 -6.175 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.763 1.376 -4.520 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -19.896 0.661 -5.866 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -20.170 0.456 -3.368 1.00 0.00 C ATOM 0 H VAL A 81 -19.250 3.159 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.723 1.054 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 81 -20.443 2.228 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -20.915 0.291 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.669 1.358 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.199 -0.177 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -21.183 0.091 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.483 -0.389 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -20.134 1.010 -2.430 1.00 0.00 H new ATOM 1182 N GLY A 82 -18.319 3.655 -5.983 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.859 4.350 -7.174 1.00 0.00 C ATOM 1184 C GLY A 82 -16.607 5.178 -6.877 1.00 0.00 C ATOM 1185 O GLY A 82 -16.555 6.366 -7.191 1.00 0.00 O ATOM 0 H GLY A 82 -19.093 4.108 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.643 3.627 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.650 5.001 -7.548 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.629 4.518 -6.274 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.381 5.178 -5.931 1.00 0.00 C ATOM 1191 C GLY A 83 -13.258 4.158 -5.730 1.00 0.00 C ATOM 1192 O GLY A 83 -12.937 3.798 -4.599 1.00 0.00 O ATOM 0 H GLY A 83 -15.676 3.533 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.106 5.876 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.513 5.763 -5.021 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.693 3.722 -6.846 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.613 2.750 -6.807 1.00 0.00 C ATOM 1198 C ASP A 84 -10.670 3.088 -5.651 1.00 0.00 C ATOM 1199 O ASP A 84 -10.411 2.248 -4.790 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.800 2.778 -8.103 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.204 1.731 -9.142 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -11.024 0.531 -8.839 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.684 2.153 -10.217 1.00 0.00 O ATOM 0 H ASP A 84 -12.962 4.023 -7.782 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.054 1.761 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.893 3.767 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.748 2.637 -7.857 1.00 0.00 H new ATOM 1208 N SER A 85 -10.182 4.320 -5.667 1.00 0.00 N ATOM 1209 CA SER A 85 -9.274 4.780 -4.630 1.00 0.00 C ATOM 1210 C SER A 85 -8.079 3.830 -4.523 1.00 0.00 C ATOM 1211 O SER A 85 -8.096 2.739 -5.090 1.00 0.00 O ATOM 1212 CB SER A 85 -9.988 4.889 -3.282 1.00 0.00 C ATOM 1213 OG SER A 85 -10.883 5.997 -3.239 1.00 0.00 O ATOM 0 H SER A 85 -10.399 5.014 -6.382 1.00 0.00 H new ATOM 0 HA SER A 85 -8.917 5.773 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.540 3.969 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.249 4.989 -2.487 1.00 0.00 H new ATOM 0 HG SER A 85 -10.376 6.821 -3.081 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.070 4.281 -3.792 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.869 3.485 -3.604 1.00 0.00 C ATOM 1221 C ARG A 86 -4.959 4.136 -2.560 1.00 0.00 C ATOM 1222 O ARG A 86 -5.177 5.282 -2.170 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.099 3.330 -4.917 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.872 4.688 -5.583 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.416 5.134 -5.438 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.155 6.302 -6.308 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.002 6.229 -7.637 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.083 5.044 -8.257 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.768 7.342 -8.346 1.00 0.00 N ATOM 0 H ARG A 86 -7.060 5.187 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.176 2.498 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.139 2.850 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.652 2.678 -5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.134 4.627 -6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.530 5.432 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.207 5.390 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.748 4.315 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.087 7.220 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.261 4.197 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.966 4.989 -9.269 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.706 8.244 -7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.651 7.287 -9.358 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.958 3.378 -2.139 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.014 3.867 -1.149 1.00 0.00 C ATOM 1245 C PHE A 87 -1.694 4.279 -1.805 1.00 0.00 C ATOM 1246 O PHE A 87 -1.203 3.594 -2.702 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.748 2.716 -0.177 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.853 2.511 0.862 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.087 3.466 1.803 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.601 1.376 0.845 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.112 3.276 2.767 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.626 1.186 1.809 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.860 2.140 2.749 1.00 0.00 C ATOM 0 H PHE A 87 -3.780 2.428 -2.465 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.426 4.740 -0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.623 1.795 -0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.807 2.901 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.493 4.368 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.416 0.618 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.298 4.033 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.220 0.284 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.640 1.996 3.482 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.158 5.395 -1.334 1.00 0.00 N ATOM 1264 CA VAL A 88 0.094 5.905 -1.864 1.00 0.00 C ATOM 1265 C VAL A 88 1.121 5.999 -0.733 1.00 0.00 C ATOM 1266 O VAL A 88 0.809 6.477 0.356 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.142 7.243 -2.568 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.176 7.844 -3.060 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.137 7.087 -3.720 1.00 0.00 C ATOM 0 H VAL A 88 -1.568 5.960 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 88 0.496 5.224 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.574 7.932 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.980 8.794 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.840 8.008 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.649 7.158 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.288 8.052 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.745 6.374 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.089 6.723 -3.332 1.00 0.00 H new ATOM 1279 N PHE A 89 2.326 5.535 -1.031 1.00 0.00 N ATOM 1280 CA PHE A 89 3.401 5.560 -0.054 1.00 0.00 C ATOM 1281 C PHE A 89 4.259 6.816 -0.215 1.00 0.00 C ATOM 1282 O PHE A 89 4.886 7.015 -1.255 1.00 0.00 O ATOM 1283 CB PHE A 89 4.269 4.327 -0.311 1.00 0.00 C ATOM 1284 CG PHE A 89 5.132 3.913 0.882 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.610 3.932 2.138 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.421 3.526 0.687 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.411 3.548 3.246 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.222 3.142 1.795 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.700 3.161 3.051 1.00 0.00 C ATOM 0 H PHE A 89 2.581 5.139 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 89 2.987 5.562 0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.624 3.493 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.918 4.524 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.586 4.239 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.835 3.511 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.997 3.563 4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.246 2.835 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.309 2.869 3.893 1.00 0.00 H new ATOM 1299 N ARG A 90 4.261 7.631 0.830 1.00 0.00 N ATOM 1300 CA ARG A 90 5.032 8.863 0.817 1.00 0.00 C ATOM 1301 C ARG A 90 5.447 9.243 2.240 1.00 0.00 C ATOM 1302 O ARG A 90 4.669 9.090 3.179 1.00 0.00 O ATOM 1303 CB ARG A 90 4.227 10.010 0.204 1.00 0.00 C ATOM 1304 CG ARG A 90 2.814 10.061 0.786 1.00 0.00 C ATOM 1305 CD ARG A 90 1.840 10.719 -0.194 1.00 0.00 C ATOM 1306 NE ARG A 90 2.126 12.167 -0.297 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.529 12.990 -1.170 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.611 12.513 -2.021 1.00 0.00 N ATOM 1309 NH2 ARG A 90 1.851 14.291 -1.192 1.00 0.00 N ATOM 0 H ARG A 90 3.741 7.462 1.691 1.00 0.00 H new ATOM 0 HA ARG A 90 5.920 8.693 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.735 10.956 0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.174 9.885 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.476 9.051 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.823 10.617 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.928 10.252 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.814 10.566 0.142 1.00 0.00 H new ATOM 0 HE ARG A 90 2.821 12.563 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.366 11.523 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.157 13.140 -2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.550 14.654 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.397 14.918 -1.856 1.00 0.00 H new ATOM 1323 N LYS A 91 6.673 9.733 2.353 1.00 0.00 N ATOM 1324 CA LYS A 91 7.201 10.137 3.645 1.00 0.00 C ATOM 1325 C LYS A 91 6.980 11.639 3.834 1.00 0.00 C ATOM 1326 O LYS A 91 6.483 12.315 2.935 1.00 0.00 O ATOM 1327 CB LYS A 91 8.664 9.708 3.784 1.00 0.00 C ATOM 1328 CG LYS A 91 9.595 10.702 3.086 1.00 0.00 C ATOM 1329 CD LYS A 91 10.956 10.066 2.795 1.00 0.00 C ATOM 1330 CE LYS A 91 11.198 9.954 1.288 1.00 0.00 C ATOM 1331 NZ LYS A 91 11.754 11.218 0.757 1.00 0.00 N ATOM 0 H LYS A 91 7.316 9.859 1.571 1.00 0.00 H new ATOM 0 HA LYS A 91 6.667 9.632 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.927 9.637 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.798 8.715 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.140 11.039 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.728 11.583 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.746 10.664 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.003 9.076 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.886 9.133 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.263 9.720 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.912 11.125 -0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.084 11.994 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.657 11.426 1.229 1.00 0.00 H new