USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 85 TYR OH : rot -60:sc=-0.00937 USER MOD Set 1.2: A 124 HIS : no HD1:sc= -1.02 K(o=-1,f=-4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 160:sc= -0.105 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.5) USER MOD Single : A 83 SER OG : rot -37:sc= 0.721 USER MOD Single : A 94 SER OG : rot 40:sc= 1.18 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00363) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.0315 (180deg=-0.249) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -54:sc= 0.182 USER MOD Single : A 121 GLN : amide:sc= -4.06! C(o=-4.1!,f=-9.7!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 125 SER OG : rot 23:sc= 1.16 USER MOD Single : A 129 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.553 13.571 1.909 1.00 0.00 N ATOM 86 CA ARG A 66 -5.216 12.517 1.150 1.00 0.00 C ATOM 87 C ARG A 66 -4.602 11.155 1.462 1.00 0.00 C ATOM 88 O ARG A 66 -4.383 10.342 0.565 1.00 0.00 O ATOM 89 CB ARG A 66 -5.119 12.800 -0.350 1.00 0.00 C ATOM 90 CG ARG A 66 -5.647 14.169 -0.746 1.00 0.00 C ATOM 91 CD ARG A 66 -5.418 14.448 -2.224 1.00 0.00 C ATOM 92 NE ARG A 66 -5.452 15.877 -2.522 1.00 0.00 N ATOM 93 CZ ARG A 66 -4.931 16.410 -3.622 1.00 0.00 C ATOM 94 NH1 ARG A 66 -4.342 15.637 -4.523 1.00 0.00 N ATOM 95 NH2 ARG A 66 -5.001 17.720 -3.823 1.00 0.00 N ATOM 0 HA ARG A 66 -6.266 12.499 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.077 12.718 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.674 12.035 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.713 14.227 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.155 14.937 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.454 14.038 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.180 13.937 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.900 16.500 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.288 14.630 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.943 16.050 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.455 18.318 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.601 18.128 -4.668 1.00 0.00 H new ATOM 109 N SER A 67 -4.327 10.914 2.740 1.00 0.00 N ATOM 110 CA SER A 67 -3.735 9.653 3.170 1.00 0.00 C ATOM 111 C SER A 67 -4.543 9.033 4.306 1.00 0.00 C ATOM 112 O SER A 67 -5.379 9.694 4.921 1.00 0.00 O ATOM 113 CB SER A 67 -2.288 9.871 3.619 1.00 0.00 C ATOM 114 OG SER A 67 -1.658 10.873 2.839 1.00 0.00 O ATOM 0 H SER A 67 -4.505 11.576 3.496 1.00 0.00 H new ATOM 0 HA SER A 67 -3.746 8.968 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.269 10.159 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.733 8.937 3.534 1.00 0.00 H new ATOM 0 HG SER A 67 -0.735 10.995 3.146 1.00 0.00 H new ATOM 120 N VAL A 68 -4.286 7.757 4.578 1.00 0.00 N ATOM 121 CA VAL A 68 -4.988 7.046 5.639 1.00 0.00 C ATOM 122 C VAL A 68 -4.069 6.047 6.333 1.00 0.00 C ATOM 123 O VAL A 68 -3.108 5.556 5.740 1.00 0.00 O ATOM 124 CB VAL A 68 -6.221 6.299 5.095 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.311 7.285 4.703 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.834 5.422 3.915 1.00 0.00 C ATOM 0 H VAL A 68 -3.597 7.195 4.078 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.315 7.796 6.359 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.612 5.655 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.174 6.740 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.606 7.867 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.934 7.956 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.717 4.902 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.418 6.043 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.090 4.692 4.233 1.00 0.00 H new ATOM 136 N PHE A 69 -4.370 5.750 7.593 1.00 0.00 N ATOM 137 CA PHE A 69 -3.570 4.809 8.369 1.00 0.00 C ATOM 138 C PHE A 69 -4.181 3.412 8.327 1.00 0.00 C ATOM 139 O PHE A 69 -5.280 3.187 8.834 1.00 0.00 O ATOM 140 CB PHE A 69 -3.451 5.283 9.819 1.00 0.00 C ATOM 141 CG PHE A 69 -2.544 4.428 10.656 1.00 0.00 C ATOM 142 CD1 PHE A 69 -2.983 3.214 11.159 1.00 0.00 C ATOM 143 CD2 PHE A 69 -1.251 4.838 10.942 1.00 0.00 C ATOM 144 CE1 PHE A 69 -2.151 2.424 11.930 1.00 0.00 C ATOM 145 CE2 PHE A 69 -0.414 4.052 11.711 1.00 0.00 C ATOM 146 CZ PHE A 69 -0.865 2.845 12.207 1.00 0.00 C ATOM 0 H PHE A 69 -5.162 6.147 8.098 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.575 4.764 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.082 6.308 9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.443 5.297 10.271 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.988 2.881 10.946 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.894 5.783 10.559 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.506 1.479 12.315 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.592 4.382 11.924 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.213 2.231 12.811 1.00 0.00 H new ATOM 156 N VAL A 70 -3.461 2.475 7.718 1.00 0.00 N ATOM 157 CA VAL A 70 -3.930 1.099 7.610 1.00 0.00 C ATOM 158 C VAL A 70 -3.067 0.157 8.441 1.00 0.00 C ATOM 159 O VAL A 70 -1.854 0.340 8.546 1.00 0.00 O ATOM 160 CB VAL A 70 -3.932 0.620 6.146 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.340 -0.843 6.063 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.853 1.488 5.303 1.00 0.00 C ATOM 0 H VAL A 70 -2.550 2.644 7.292 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.951 1.082 7.991 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.921 0.713 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.336 -1.163 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.636 -1.450 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.341 -0.965 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.842 1.135 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.868 1.430 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.510 2.522 5.336 1.00 0.00 H new ATOM 172 N SER A 71 -3.700 -0.853 9.029 1.00 0.00 N ATOM 173 CA SER A 71 -2.990 -1.823 9.854 1.00 0.00 C ATOM 174 C SER A 71 -3.915 -2.965 10.267 1.00 0.00 C ATOM 175 O SER A 71 -5.099 -2.971 9.933 1.00 0.00 O ATOM 176 CB SER A 71 -2.415 -1.143 11.098 1.00 0.00 C ATOM 177 OG SER A 71 -3.442 -0.564 11.884 1.00 0.00 O ATOM 0 H SER A 71 -4.703 -1.021 8.949 1.00 0.00 H new ATOM 0 HA SER A 71 -2.172 -2.236 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.865 -1.872 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.704 -0.373 10.799 1.00 0.00 H new ATOM 0 HG SER A 71 -3.116 -0.425 12.798 1.00 0.00 H new ATOM 183 N GLY A 72 -3.363 -3.931 10.995 1.00 0.00 N ATOM 184 CA GLY A 72 -4.151 -5.065 11.442 1.00 0.00 C ATOM 185 C GLY A 72 -4.316 -6.117 10.363 1.00 0.00 C ATOM 186 O GLY A 72 -5.284 -6.878 10.371 1.00 0.00 O ATOM 0 H GLY A 72 -2.385 -3.949 11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.674 -5.514 12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.134 -4.718 11.760 1.00 0.00 H new ATOM 190 N PHE A 73 -3.371 -6.159 9.430 1.00 0.00 N ATOM 191 CA PHE A 73 -3.417 -7.124 8.337 1.00 0.00 C ATOM 192 C PHE A 73 -2.738 -8.431 8.736 1.00 0.00 C ATOM 193 O PHE A 73 -1.905 -8.476 9.641 1.00 0.00 O ATOM 194 CB PHE A 73 -2.745 -6.546 7.090 1.00 0.00 C ATOM 195 CG PHE A 73 -1.497 -5.766 7.389 1.00 0.00 C ATOM 196 CD1 PHE A 73 -1.566 -4.420 7.711 1.00 0.00 C ATOM 197 CD2 PHE A 73 -0.254 -6.378 7.347 1.00 0.00 C ATOM 198 CE1 PHE A 73 -0.419 -3.699 7.987 1.00 0.00 C ATOM 199 CE2 PHE A 73 0.895 -5.662 7.623 1.00 0.00 C ATOM 200 CZ PHE A 73 0.813 -4.321 7.942 1.00 0.00 C ATOM 0 H PHE A 73 -2.564 -5.536 9.409 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.463 -7.333 8.113 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.500 -7.361 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.453 -5.899 6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.527 -3.928 7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.183 -7.426 7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.487 -2.651 8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.857 -6.151 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.711 -3.760 8.156 1.00 0.00 H new ATOM 210 N PRO A 74 -3.102 -9.521 8.044 1.00 0.00 N ATOM 211 CA PRO A 74 -2.541 -10.849 8.308 1.00 0.00 C ATOM 212 C PRO A 74 -1.137 -11.010 7.735 1.00 0.00 C ATOM 213 O PRO A 74 -0.898 -10.719 6.562 1.00 0.00 O ATOM 214 CB PRO A 74 -3.518 -11.793 7.602 1.00 0.00 C ATOM 215 CG PRO A 74 -4.095 -10.982 6.494 1.00 0.00 C ATOM 216 CD PRO A 74 -4.089 -9.541 6.952 1.00 0.00 C ATOM 0 HA PRO A 74 -2.436 -11.042 9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.008 -12.678 7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.294 -12.141 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.508 -11.100 5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.109 -11.309 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.805 -8.866 6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.074 -9.228 7.298 1.00 0.00 H new ATOM 224 N ARG A 75 -0.212 -11.474 8.568 1.00 0.00 N ATOM 225 CA ARG A 75 1.168 -11.673 8.144 1.00 0.00 C ATOM 226 C ARG A 75 1.225 -12.332 6.769 1.00 0.00 C ATOM 227 O ARG A 75 0.696 -13.425 6.571 1.00 0.00 O ATOM 228 CB ARG A 75 1.920 -12.530 9.164 1.00 0.00 C ATOM 229 CG ARG A 75 3.411 -12.240 9.222 1.00 0.00 C ATOM 230 CD ARG A 75 4.116 -13.147 10.219 1.00 0.00 C ATOM 231 NE ARG A 75 3.774 -12.815 11.599 1.00 0.00 N ATOM 232 CZ ARG A 75 4.194 -13.512 12.648 1.00 0.00 C ATOM 233 NH1 ARG A 75 4.969 -14.574 12.476 1.00 0.00 N ATOM 234 NH2 ARG A 75 3.840 -13.147 13.874 1.00 0.00 N ATOM 0 H ARG A 75 -0.393 -11.719 9.541 1.00 0.00 H new ATOM 0 HA ARG A 75 1.646 -10.695 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.488 -12.367 10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.772 -13.582 8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.848 -12.376 8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.570 -11.198 9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.847 -14.184 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.194 -13.066 10.083 1.00 0.00 H new ATOM 0 HE ARG A 75 3.180 -12.003 11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.244 -14.858 11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.290 -15.107 13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.245 -12.330 14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.163 -13.683 14.679 1.00 0.00 H new ATOM 248 N GLY A 76 1.870 -11.659 5.821 1.00 0.00 N ATOM 249 CA GLY A 76 1.983 -12.195 4.477 1.00 0.00 C ATOM 250 C GLY A 76 1.516 -11.213 3.420 1.00 0.00 C ATOM 251 O GLY A 76 1.725 -11.429 2.226 1.00 0.00 O ATOM 0 H GLY A 76 2.316 -10.752 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.021 -12.466 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.395 -13.110 4.403 1.00 0.00 H new ATOM 255 N VAL A 77 0.880 -10.132 3.859 1.00 0.00 N ATOM 256 CA VAL A 77 0.381 -9.113 2.943 1.00 0.00 C ATOM 257 C VAL A 77 1.523 -8.280 2.372 1.00 0.00 C ATOM 258 O VAL A 77 2.414 -7.847 3.103 1.00 0.00 O ATOM 259 CB VAL A 77 -0.625 -8.177 3.638 1.00 0.00 C ATOM 260 CG1 VAL A 77 -0.979 -7.007 2.733 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.874 -8.945 4.044 1.00 0.00 C ATOM 0 H VAL A 77 0.698 -9.939 4.844 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.123 -9.637 2.131 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.161 -7.779 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.691 -6.356 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.076 -6.443 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.424 -7.382 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.574 -8.268 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.342 -9.373 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.601 -9.745 4.732 1.00 0.00 H new ATOM 271 N ASP A 78 1.490 -8.060 1.063 1.00 0.00 N ATOM 272 CA ASP A 78 2.522 -7.276 0.393 1.00 0.00 C ATOM 273 C ASP A 78 1.932 -6.010 -0.219 1.00 0.00 C ATOM 274 O ASP A 78 0.818 -6.023 -0.744 1.00 0.00 O ATOM 275 CB ASP A 78 3.203 -8.112 -0.692 1.00 0.00 C ATOM 276 CG ASP A 78 2.228 -9.009 -1.429 1.00 0.00 C ATOM 277 OD1 ASP A 78 1.223 -8.487 -1.954 1.00 0.00 O ATOM 278 OD2 ASP A 78 2.470 -10.233 -1.480 1.00 0.00 O ATOM 0 H ASP A 78 0.760 -8.413 0.444 1.00 0.00 H new ATOM 0 HA ASP A 78 3.264 -6.986 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.692 -7.448 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.984 -8.723 -0.239 1.00 0.00 H new ATOM 283 N SER A 79 2.684 -4.917 -0.146 1.00 0.00 N ATOM 284 CA SER A 79 2.233 -3.641 -0.688 1.00 0.00 C ATOM 285 C SER A 79 1.447 -3.846 -1.979 1.00 0.00 C ATOM 286 O SER A 79 0.496 -3.119 -2.262 1.00 0.00 O ATOM 287 CB SER A 79 3.429 -2.721 -0.946 1.00 0.00 C ATOM 288 OG SER A 79 4.373 -3.341 -1.802 1.00 0.00 O ATOM 0 H SER A 79 3.609 -4.889 0.283 1.00 0.00 H new ATOM 0 HA SER A 79 1.576 -3.174 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.085 -1.789 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.905 -2.464 0.000 1.00 0.00 H new ATOM 0 HG SER A 79 5.127 -2.733 -1.953 1.00 0.00 H new ATOM 294 N ALA A 80 1.853 -4.843 -2.759 1.00 0.00 N ATOM 295 CA ALA A 80 1.186 -5.147 -4.019 1.00 0.00 C ATOM 296 C ALA A 80 -0.278 -5.508 -3.793 1.00 0.00 C ATOM 297 O ALA A 80 -1.167 -4.973 -4.455 1.00 0.00 O ATOM 298 CB ALA A 80 1.906 -6.279 -4.737 1.00 0.00 C ATOM 0 H ALA A 80 2.640 -5.454 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 80 1.220 -4.255 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.397 -6.496 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.935 -5.984 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.902 -7.169 -4.108 1.00 0.00 H new ATOM 304 N GLN A 81 -0.520 -6.418 -2.855 1.00 0.00 N ATOM 305 CA GLN A 81 -1.877 -6.850 -2.543 1.00 0.00 C ATOM 306 C GLN A 81 -2.720 -5.681 -2.044 1.00 0.00 C ATOM 307 O GLN A 81 -3.838 -5.464 -2.513 1.00 0.00 O ATOM 308 CB GLN A 81 -1.852 -7.961 -1.492 1.00 0.00 C ATOM 309 CG GLN A 81 -1.655 -9.349 -2.079 1.00 0.00 C ATOM 310 CD GLN A 81 -1.703 -10.440 -1.028 1.00 0.00 C ATOM 311 OE1 GLN A 81 -1.343 -10.219 0.129 1.00 0.00 O ATOM 312 NE2 GLN A 81 -2.150 -11.626 -1.424 1.00 0.00 N ATOM 0 H GLN A 81 0.205 -6.870 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.328 -7.235 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.051 -7.759 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.787 -7.942 -0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.426 -9.536 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.695 -9.388 -2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.438 -11.765 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.205 -12.398 -0.760 1.00 0.00 H new ATOM 321 N LEU A 82 -2.177 -4.931 -1.092 1.00 0.00 N ATOM 322 CA LEU A 82 -2.879 -3.783 -0.528 1.00 0.00 C ATOM 323 C LEU A 82 -3.296 -2.808 -1.625 1.00 0.00 C ATOM 324 O LEU A 82 -4.480 -2.520 -1.796 1.00 0.00 O ATOM 325 CB LEU A 82 -1.994 -3.070 0.495 1.00 0.00 C ATOM 326 CG LEU A 82 -1.834 -3.768 1.846 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.641 -3.202 2.601 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.105 -3.628 2.672 1.00 0.00 C ATOM 0 H LEU A 82 -1.253 -5.097 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.777 -4.147 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.004 -2.936 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.403 -2.075 0.669 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.655 -4.828 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.543 -3.711 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.266 -3.354 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.790 -2.135 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.973 -4.131 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.314 -2.572 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.939 -4.081 2.136 1.00 0.00 H new ATOM 340 N SER A 83 -2.314 -2.304 -2.366 1.00 0.00 N ATOM 341 CA SER A 83 -2.578 -1.360 -3.445 1.00 0.00 C ATOM 342 C SER A 83 -3.759 -1.822 -4.294 1.00 0.00 C ATOM 343 O SER A 83 -4.702 -1.067 -4.526 1.00 0.00 O ATOM 344 CB SER A 83 -1.336 -1.196 -4.323 1.00 0.00 C ATOM 345 OG SER A 83 -0.955 -2.432 -4.902 1.00 0.00 O ATOM 0 H SER A 83 -1.328 -2.534 -2.239 1.00 0.00 H new ATOM 0 HA SER A 83 -2.828 -0.397 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.536 -0.469 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.514 -0.802 -3.726 1.00 0.00 H new ATOM 0 HG SER A 83 -1.104 -3.155 -4.257 1.00 0.00 H new ATOM 351 N GLU A 84 -3.697 -3.067 -4.755 1.00 0.00 N ATOM 352 CA GLU A 84 -4.760 -3.630 -5.579 1.00 0.00 C ATOM 353 C GLU A 84 -6.089 -3.624 -4.831 1.00 0.00 C ATOM 354 O GLU A 84 -7.119 -3.226 -5.376 1.00 0.00 O ATOM 355 CB GLU A 84 -4.406 -5.057 -6.002 1.00 0.00 C ATOM 356 CG GLU A 84 -5.042 -5.478 -7.316 1.00 0.00 C ATOM 357 CD GLU A 84 -5.233 -6.979 -7.418 1.00 0.00 C ATOM 358 OE1 GLU A 84 -6.096 -7.517 -6.692 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.522 -7.615 -8.222 1.00 0.00 O ATOM 0 H GLU A 84 -2.922 -3.705 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.862 -3.010 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.323 -5.143 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.719 -5.747 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.008 -4.985 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.418 -5.138 -8.143 1.00 0.00 H new ATOM 366 N TYR A 85 -6.059 -4.068 -3.579 1.00 0.00 N ATOM 367 CA TYR A 85 -7.262 -4.117 -2.756 1.00 0.00 C ATOM 368 C TYR A 85 -7.849 -2.722 -2.566 1.00 0.00 C ATOM 369 O TYR A 85 -9.038 -2.569 -2.288 1.00 0.00 O ATOM 370 CB TYR A 85 -6.948 -4.741 -1.395 1.00 0.00 C ATOM 371 CG TYR A 85 -8.019 -4.496 -0.356 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.301 -5.007 -0.516 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.748 -3.754 0.787 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.282 -4.785 0.430 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.723 -3.528 1.740 1.00 0.00 C ATOM 376 CZ TYR A 85 -9.988 -4.046 1.557 1.00 0.00 C ATOM 377 OH TYR A 85 -10.963 -3.823 2.502 1.00 0.00 O ATOM 0 H TYR A 85 -5.215 -4.399 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.999 -4.734 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.813 -5.815 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.002 -4.341 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.534 -5.588 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.758 -3.347 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.274 -5.188 0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.496 -2.949 2.623 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.712 -3.343 2.092 1.00 0.00 H new ATOM 387 N PHE A 86 -7.005 -1.706 -2.718 1.00 0.00 N ATOM 388 CA PHE A 86 -7.439 -0.323 -2.563 1.00 0.00 C ATOM 389 C PHE A 86 -7.849 0.273 -3.907 1.00 0.00 C ATOM 390 O PHE A 86 -8.625 1.227 -3.965 1.00 0.00 O ATOM 391 CB PHE A 86 -6.322 0.517 -1.939 1.00 0.00 C ATOM 392 CG PHE A 86 -6.107 0.239 -0.479 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.161 0.316 0.417 1.00 0.00 C ATOM 394 CD2 PHE A 86 -4.850 -0.100 -0.003 1.00 0.00 C ATOM 395 CE1 PHE A 86 -6.966 0.060 1.761 1.00 0.00 C ATOM 396 CE2 PHE A 86 -4.650 -0.357 1.340 1.00 0.00 C ATOM 397 CZ PHE A 86 -5.708 -0.276 2.224 1.00 0.00 C ATOM 0 H PHE A 86 -6.017 -1.815 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.305 -0.312 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.393 0.329 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.557 1.573 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.146 0.579 0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.018 -0.164 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.796 0.122 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.666 -0.621 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.553 -0.475 3.274 1.00 0.00 H new ATOM 407 N LEU A 87 -7.320 -0.296 -4.985 1.00 0.00 N ATOM 408 CA LEU A 87 -7.630 0.178 -6.329 1.00 0.00 C ATOM 409 C LEU A 87 -9.115 0.014 -6.636 1.00 0.00 C ATOM 410 O LEU A 87 -9.631 0.600 -7.587 1.00 0.00 O ATOM 411 CB LEU A 87 -6.797 -0.582 -7.363 1.00 0.00 C ATOM 412 CG LEU A 87 -5.345 -0.130 -7.519 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.663 -0.898 -8.641 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.277 1.368 -7.778 1.00 0.00 C ATOM 0 H LEU A 87 -6.675 -1.086 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.383 1.238 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.801 -1.639 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.290 -0.495 -8.332 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.818 -0.342 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.630 -0.562 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.678 -1.964 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.191 -0.719 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.236 1.672 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.821 1.604 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.726 1.903 -6.941 1.00 0.00 H new ATOM 426 N ALA A 88 -9.797 -0.786 -5.823 1.00 0.00 N ATOM 427 CA ALA A 88 -11.224 -1.023 -6.005 1.00 0.00 C ATOM 428 C ALA A 88 -12.039 0.206 -5.617 1.00 0.00 C ATOM 429 O ALA A 88 -13.162 0.392 -6.086 1.00 0.00 O ATOM 430 CB ALA A 88 -11.666 -2.230 -5.190 1.00 0.00 C ATOM 0 H ALA A 88 -9.385 -1.281 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.402 -1.226 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.734 -2.396 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.114 -3.111 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.467 -2.048 -4.134 1.00 0.00 H new ATOM 436 N PHE A 89 -11.466 1.043 -4.758 1.00 0.00 N ATOM 437 CA PHE A 89 -12.141 2.254 -4.306 1.00 0.00 C ATOM 438 C PHE A 89 -11.448 3.499 -4.853 1.00 0.00 C ATOM 439 O PHE A 89 -12.068 4.550 -5.010 1.00 0.00 O ATOM 440 CB PHE A 89 -12.173 2.305 -2.777 1.00 0.00 C ATOM 441 CG PHE A 89 -12.760 1.073 -2.149 1.00 0.00 C ATOM 442 CD1 PHE A 89 -14.120 0.988 -1.899 1.00 0.00 C ATOM 443 CD2 PHE A 89 -11.951 0.001 -1.808 1.00 0.00 C ATOM 444 CE1 PHE A 89 -14.662 -0.144 -1.320 1.00 0.00 C ATOM 445 CE2 PHE A 89 -12.488 -1.134 -1.230 1.00 0.00 C ATOM 446 CZ PHE A 89 -13.845 -1.207 -0.986 1.00 0.00 C ATOM 0 H PHE A 89 -10.537 0.905 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.163 2.233 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.158 2.445 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.751 3.174 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -14.764 1.815 -2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -10.889 0.053 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -15.724 -0.198 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -11.847 -1.963 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.267 -2.093 -0.535 1.00 0.00 H new ATOM 456 N GLY A 90 -10.156 3.372 -5.140 1.00 0.00 N ATOM 457 CA GLY A 90 -9.399 4.493 -5.665 1.00 0.00 C ATOM 458 C GLY A 90 -7.929 4.167 -5.845 1.00 0.00 C ATOM 459 O GLY A 90 -7.427 3.164 -5.338 1.00 0.00 O ATOM 0 H GLY A 90 -9.620 2.513 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.821 4.795 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.499 5.343 -4.990 1.00 0.00 H new ATOM 463 N PRO A 91 -7.215 5.028 -6.585 1.00 0.00 N ATOM 464 CA PRO A 91 -5.784 4.847 -6.848 1.00 0.00 C ATOM 465 C PRO A 91 -4.925 5.164 -5.629 1.00 0.00 C ATOM 466 O PRO A 91 -5.133 6.174 -4.956 1.00 0.00 O ATOM 467 CB PRO A 91 -5.502 5.844 -7.975 1.00 0.00 C ATOM 468 CG PRO A 91 -6.521 6.916 -7.796 1.00 0.00 C ATOM 469 CD PRO A 91 -7.748 6.245 -7.219 1.00 0.00 C ATOM 0 HA PRO A 91 -5.544 3.815 -7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.490 6.244 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.592 5.372 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.153 7.694 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.752 7.396 -8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.252 6.886 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.476 6.007 -7.994 1.00 0.00 H new ATOM 477 N VAL A 92 -3.958 4.296 -5.350 1.00 0.00 N ATOM 478 CA VAL A 92 -3.066 4.484 -4.212 1.00 0.00 C ATOM 479 C VAL A 92 -1.765 5.154 -4.639 1.00 0.00 C ATOM 480 O VAL A 92 -0.960 4.567 -5.362 1.00 0.00 O ATOM 481 CB VAL A 92 -2.740 3.144 -3.527 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.679 3.337 -2.453 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.000 2.527 -2.938 1.00 0.00 C ATOM 0 H VAL A 92 -3.772 3.455 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.588 5.128 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.343 2.459 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.462 2.379 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.770 3.732 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.044 4.038 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.751 1.581 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.428 3.207 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.725 2.351 -3.733 1.00 0.00 H new ATOM 493 N ALA A 93 -1.564 6.387 -4.186 1.00 0.00 N ATOM 494 CA ALA A 93 -0.359 7.137 -4.519 1.00 0.00 C ATOM 495 C ALA A 93 0.895 6.347 -4.160 1.00 0.00 C ATOM 496 O ALA A 93 1.800 6.195 -4.980 1.00 0.00 O ATOM 497 CB ALA A 93 -0.361 8.482 -3.807 1.00 0.00 C ATOM 0 H ALA A 93 -2.220 6.888 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.353 7.309 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.544 9.031 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.234 9.056 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.395 8.323 -2.729 1.00 0.00 H new ATOM 503 N SER A 94 0.942 5.847 -2.930 1.00 0.00 N ATOM 504 CA SER A 94 2.088 5.077 -2.461 1.00 0.00 C ATOM 505 C SER A 94 1.768 4.375 -1.144 1.00 0.00 C ATOM 506 O SER A 94 0.814 4.731 -0.453 1.00 0.00 O ATOM 507 CB SER A 94 3.304 5.989 -2.283 1.00 0.00 C ATOM 508 OG SER A 94 4.052 6.079 -3.483 1.00 0.00 O ATOM 0 H SER A 94 0.200 5.961 -2.240 1.00 0.00 H new ATOM 0 HA SER A 94 2.317 4.320 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.976 6.983 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.937 5.604 -1.484 1.00 0.00 H new ATOM 0 HG SER A 94 3.440 6.136 -4.246 1.00 0.00 H new ATOM 514 N VAL A 95 2.574 3.374 -0.804 1.00 0.00 N ATOM 515 CA VAL A 95 2.379 2.621 0.429 1.00 0.00 C ATOM 516 C VAL A 95 3.671 2.544 1.236 1.00 0.00 C ATOM 517 O VAL A 95 4.684 2.033 0.759 1.00 0.00 O ATOM 518 CB VAL A 95 1.881 1.192 0.142 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.688 0.423 1.440 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.590 1.230 -0.662 1.00 0.00 C ATOM 0 H VAL A 95 3.368 3.066 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 95 1.623 3.152 1.007 1.00 0.00 H new ATOM 0 HB VAL A 95 2.636 0.674 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.336 -0.584 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.637 0.366 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.953 0.935 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.252 0.212 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.174 1.765 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.766 1.741 -1.609 1.00 0.00 H new ATOM 530 N VAL A 96 3.627 3.056 2.462 1.00 0.00 N ATOM 531 CA VAL A 96 4.793 3.044 3.337 1.00 0.00 C ATOM 532 C VAL A 96 4.604 2.068 4.493 1.00 0.00 C ATOM 533 O VAL A 96 3.783 2.294 5.381 1.00 0.00 O ATOM 534 CB VAL A 96 5.082 4.446 3.906 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.319 4.419 4.790 1.00 0.00 C ATOM 536 CG2 VAL A 96 5.245 5.455 2.779 1.00 0.00 C ATOM 0 H VAL A 96 2.797 3.484 2.871 1.00 0.00 H new ATOM 0 HA VAL A 96 5.640 2.724 2.730 1.00 0.00 H new ATOM 0 HB VAL A 96 4.234 4.752 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.507 5.418 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.160 3.728 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.178 4.092 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.449 6.440 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.075 5.155 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.329 5.494 2.190 1.00 0.00 H new ATOM 546 N MET A 97 5.369 0.981 4.474 1.00 0.00 N ATOM 547 CA MET A 97 5.286 -0.029 5.522 1.00 0.00 C ATOM 548 C MET A 97 6.435 0.121 6.514 1.00 0.00 C ATOM 549 O MET A 97 7.593 0.264 6.120 1.00 0.00 O ATOM 550 CB MET A 97 5.304 -1.431 4.911 1.00 0.00 C ATOM 551 CG MET A 97 4.079 -1.741 4.065 1.00 0.00 C ATOM 552 SD MET A 97 4.110 -3.411 3.384 1.00 0.00 S ATOM 553 CE MET A 97 2.980 -4.249 4.492 1.00 0.00 C ATOM 0 H MET A 97 6.053 0.778 3.745 1.00 0.00 H new ATOM 0 HA MET A 97 4.347 0.114 6.057 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.197 -1.539 4.296 1.00 0.00 H new ATOM 0 HB3 MET A 97 5.378 -2.167 5.712 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.182 -1.617 4.672 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.014 -1.021 3.249 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.893 -5.296 4.200 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.358 -4.187 5.512 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.000 -3.775 4.439 1.00 0.00 H new ATOM 563 N ASP A 98 6.108 0.086 7.801 1.00 0.00 N ATOM 564 CA ASP A 98 7.114 0.217 8.849 1.00 0.00 C ATOM 565 C ASP A 98 8.185 -0.860 8.712 1.00 0.00 C ATOM 566 O ASP A 98 8.054 -1.783 7.908 1.00 0.00 O ATOM 567 CB ASP A 98 6.458 0.129 10.228 1.00 0.00 C ATOM 568 CG ASP A 98 7.265 0.836 11.299 1.00 0.00 C ATOM 569 OD1 ASP A 98 7.669 1.995 11.068 1.00 0.00 O ATOM 570 OD2 ASP A 98 7.494 0.231 12.367 1.00 0.00 O ATOM 0 H ASP A 98 5.155 -0.032 8.144 1.00 0.00 H new ATOM 0 HA ASP A 98 7.590 1.192 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.460 0.566 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.335 -0.919 10.502 1.00 0.00 H new ATOM 575 N LYS A 99 9.247 -0.734 9.500 1.00 0.00 N ATOM 576 CA LYS A 99 10.343 -1.696 9.468 1.00 0.00 C ATOM 577 C LYS A 99 10.658 -2.209 10.870 1.00 0.00 C ATOM 578 O LYS A 99 10.913 -3.398 11.063 1.00 0.00 O ATOM 579 CB LYS A 99 11.591 -1.058 8.854 1.00 0.00 C ATOM 580 CG LYS A 99 12.865 -1.845 9.110 1.00 0.00 C ATOM 581 CD LYS A 99 14.102 -1.025 8.783 1.00 0.00 C ATOM 582 CE LYS A 99 14.318 -0.917 7.281 1.00 0.00 C ATOM 583 NZ LYS A 99 14.912 -2.159 6.715 1.00 0.00 N ATOM 0 H LYS A 99 9.372 0.025 10.169 1.00 0.00 H new ATOM 0 HA LYS A 99 10.034 -2.541 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.446 -0.958 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.709 -0.051 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.899 -2.155 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.860 -2.753 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.002 -0.027 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.976 -1.483 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.366 -0.714 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.973 -0.072 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.075 -2.033 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.817 -2.358 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.260 -2.955 6.865 1.00 0.00 H new ATOM 597 N ASP A 100 10.637 -1.306 11.844 1.00 0.00 N ATOM 598 CA ASP A 100 10.918 -1.668 13.228 1.00 0.00 C ATOM 599 C ASP A 100 10.175 -2.942 13.618 1.00 0.00 C ATOM 600 O ASP A 100 10.770 -3.886 14.138 1.00 0.00 O ATOM 601 CB ASP A 100 10.525 -0.525 14.166 1.00 0.00 C ATOM 602 CG ASP A 100 11.122 0.803 13.744 1.00 0.00 C ATOM 603 OD1 ASP A 100 12.078 0.795 12.940 1.00 0.00 O ATOM 604 OD2 ASP A 100 10.633 1.850 14.216 1.00 0.00 O ATOM 0 H ASP A 100 10.428 -0.318 11.701 1.00 0.00 H new ATOM 0 HA ASP A 100 11.989 -1.851 13.320 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.439 -0.439 14.194 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.852 -0.761 15.179 1.00 0.00 H new ATOM 609 N LYS A 101 8.871 -2.961 13.365 1.00 0.00 N ATOM 610 CA LYS A 101 8.045 -4.118 13.689 1.00 0.00 C ATOM 611 C LYS A 101 7.282 -4.603 12.461 1.00 0.00 C ATOM 612 O LYS A 101 7.109 -5.804 12.259 1.00 0.00 O ATOM 613 CB LYS A 101 7.062 -3.771 14.809 1.00 0.00 C ATOM 614 CG LYS A 101 7.645 -3.936 16.202 1.00 0.00 C ATOM 615 CD LYS A 101 6.555 -4.134 17.243 1.00 0.00 C ATOM 616 CE LYS A 101 7.125 -4.135 18.653 1.00 0.00 C ATOM 617 NZ LYS A 101 7.671 -2.803 19.032 1.00 0.00 N ATOM 0 H LYS A 101 8.363 -2.187 12.936 1.00 0.00 H new ATOM 0 HA LYS A 101 8.703 -4.919 14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.729 -2.741 14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.180 -4.404 14.716 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.322 -4.790 16.215 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.237 -3.057 16.456 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.813 -3.341 17.150 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.040 -5.076 17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.346 -4.422 19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.913 -4.884 18.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.798 -2.761 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.588 -2.658 18.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.008 -2.059 18.734 1.00 0.00 H new ATOM 631 N GLY A 102 6.828 -3.659 11.641 1.00 0.00 N ATOM 632 CA GLY A 102 6.090 -4.011 10.441 1.00 0.00 C ATOM 633 C GLY A 102 4.665 -4.432 10.740 1.00 0.00 C ATOM 634 O GLY A 102 4.192 -5.451 10.238 1.00 0.00 O ATOM 0 H GLY A 102 6.958 -2.658 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.079 -3.159 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.605 -4.822 9.926 1.00 0.00 H new ATOM 638 N VAL A 103 3.978 -3.645 11.563 1.00 0.00 N ATOM 639 CA VAL A 103 2.598 -3.942 11.929 1.00 0.00 C ATOM 640 C VAL A 103 1.666 -2.804 11.527 1.00 0.00 C ATOM 641 O VAL A 103 0.506 -2.763 11.937 1.00 0.00 O ATOM 642 CB VAL A 103 2.460 -4.193 13.442 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.142 -5.496 13.831 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.034 -3.025 14.230 1.00 0.00 C ATOM 0 H VAL A 103 4.354 -2.798 11.988 1.00 0.00 H new ATOM 0 HA VAL A 103 2.316 -4.847 11.391 1.00 0.00 H new ATOM 0 HB VAL A 103 1.401 -4.279 13.684 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.034 -5.657 14.904 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.681 -6.323 13.292 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.201 -5.443 13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.928 -3.219 15.297 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.090 -2.905 13.986 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.496 -2.113 13.972 1.00 0.00 H new ATOM 654 N PHE A 104 2.181 -1.881 10.722 1.00 0.00 N ATOM 655 CA PHE A 104 1.395 -0.741 10.264 1.00 0.00 C ATOM 656 C PHE A 104 2.000 -0.136 9.000 1.00 0.00 C ATOM 657 O PHE A 104 3.193 -0.283 8.738 1.00 0.00 O ATOM 658 CB PHE A 104 1.312 0.322 11.362 1.00 0.00 C ATOM 659 CG PHE A 104 2.578 1.112 11.528 1.00 0.00 C ATOM 660 CD1 PHE A 104 2.797 2.260 10.784 1.00 0.00 C ATOM 661 CD2 PHE A 104 3.550 0.707 12.429 1.00 0.00 C ATOM 662 CE1 PHE A 104 3.961 2.990 10.935 1.00 0.00 C ATOM 663 CE2 PHE A 104 4.716 1.433 12.585 1.00 0.00 C ATOM 664 CZ PHE A 104 4.922 2.575 11.836 1.00 0.00 C ATOM 0 H PHE A 104 3.139 -1.900 10.373 1.00 0.00 H new ATOM 0 HA PHE A 104 0.390 -1.094 10.032 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.494 1.005 11.134 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.069 -0.162 12.308 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.049 2.589 10.077 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.395 -0.186 13.016 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.119 3.884 10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.465 1.108 13.292 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.833 3.143 11.955 1.00 0.00 H new ATOM 674 N ALA A 105 1.166 0.543 8.220 1.00 0.00 N ATOM 675 CA ALA A 105 1.617 1.171 6.984 1.00 0.00 C ATOM 676 C ALA A 105 0.719 2.345 6.605 1.00 0.00 C ATOM 677 O ALA A 105 -0.493 2.305 6.819 1.00 0.00 O ATOM 678 CB ALA A 105 1.657 0.150 5.857 1.00 0.00 C ATOM 0 H ALA A 105 0.175 0.672 8.422 1.00 0.00 H new ATOM 0 HA ALA A 105 2.624 1.555 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.995 0.633 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.345 -0.654 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.659 -0.261 5.703 1.00 0.00 H new ATOM 684 N ILE A 106 1.322 3.387 6.044 1.00 0.00 N ATOM 685 CA ILE A 106 0.577 4.572 5.636 1.00 0.00 C ATOM 686 C ILE A 106 0.164 4.483 4.170 1.00 0.00 C ATOM 687 O ILE A 106 0.999 4.592 3.272 1.00 0.00 O ATOM 688 CB ILE A 106 1.399 5.856 5.849 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.904 5.930 7.292 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.564 7.082 5.512 1.00 0.00 C ATOM 691 CD1 ILE A 106 0.801 6.111 8.310 1.00 0.00 C ATOM 0 H ILE A 106 2.324 3.435 5.861 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.315 4.615 6.261 1.00 0.00 H new ATOM 0 HB ILE A 106 2.261 5.833 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.454 5.018 7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.608 6.758 7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.159 7.982 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.248 7.032 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.315 7.112 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.232 6.155 9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.265 7.038 8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.109 5.271 8.250 1.00 0.00 H new ATOM 703 N VAL A 107 -1.130 4.288 3.936 1.00 0.00 N ATOM 704 CA VAL A 107 -1.655 4.188 2.580 1.00 0.00 C ATOM 705 C VAL A 107 -2.142 5.543 2.078 1.00 0.00 C ATOM 706 O VAL A 107 -2.875 6.246 2.773 1.00 0.00 O ATOM 707 CB VAL A 107 -2.813 3.177 2.499 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.524 3.284 1.159 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.302 1.762 2.728 1.00 0.00 C ATOM 0 H VAL A 107 -1.834 4.196 4.668 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.836 3.842 1.949 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.532 3.412 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.339 2.561 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.925 4.290 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.818 3.077 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.134 1.060 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.562 1.515 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.843 1.696 3.715 1.00 0.00 H new ATOM 719 N GLU A 108 -1.729 5.902 0.866 1.00 0.00 N ATOM 720 CA GLU A 108 -2.123 7.174 0.272 1.00 0.00 C ATOM 721 C GLU A 108 -3.052 6.953 -0.919 1.00 0.00 C ATOM 722 O GLU A 108 -3.279 5.820 -1.340 1.00 0.00 O ATOM 723 CB GLU A 108 -0.888 7.961 -0.170 1.00 0.00 C ATOM 724 CG GLU A 108 0.105 8.216 0.952 1.00 0.00 C ATOM 725 CD GLU A 108 0.907 9.486 0.744 1.00 0.00 C ATOM 726 OE1 GLU A 108 0.417 10.386 0.030 1.00 0.00 O ATOM 727 OE2 GLU A 108 2.024 9.580 1.294 1.00 0.00 O ATOM 0 H GLU A 108 -1.123 5.331 0.277 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.659 7.748 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.387 7.416 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.206 8.917 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.431 8.280 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.787 7.369 1.028 1.00 0.00 H new ATOM 734 N MET A 109 -3.586 8.045 -1.456 1.00 0.00 N ATOM 735 CA MET A 109 -4.489 7.971 -2.598 1.00 0.00 C ATOM 736 C MET A 109 -4.241 9.126 -3.563 1.00 0.00 C ATOM 737 O MET A 109 -3.792 10.198 -3.161 1.00 0.00 O ATOM 738 CB MET A 109 -5.945 7.989 -2.127 1.00 0.00 C ATOM 739 CG MET A 109 -6.249 6.956 -1.054 1.00 0.00 C ATOM 740 SD MET A 109 -7.955 6.376 -1.112 1.00 0.00 S ATOM 741 CE MET A 109 -7.787 4.933 -2.160 1.00 0.00 C ATOM 0 H MET A 109 -3.409 8.991 -1.119 1.00 0.00 H new ATOM 0 HA MET A 109 -4.296 7.035 -3.122 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.182 8.981 -1.742 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.597 7.815 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.576 6.106 -1.172 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.049 7.387 -0.073 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.762 4.463 -2.291 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.396 5.233 -3.132 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.101 4.224 -1.696 1.00 0.00 H new ATOM 751 N GLY A 110 -4.537 8.899 -4.840 1.00 0.00 N ATOM 752 CA GLY A 110 -4.338 9.930 -5.842 1.00 0.00 C ATOM 753 C GLY A 110 -5.101 11.201 -5.525 1.00 0.00 C ATOM 754 O GLY A 110 -4.508 12.209 -5.139 1.00 0.00 O ATOM 0 H GLY A 110 -4.911 8.020 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.275 10.158 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -4.654 9.553 -6.815 1.00 0.00 H new ATOM 758 N ASP A 111 -6.418 11.156 -5.689 1.00 0.00 N ATOM 759 CA ASP A 111 -7.263 12.313 -5.418 1.00 0.00 C ATOM 760 C ASP A 111 -7.785 12.281 -3.985 1.00 0.00 C ATOM 761 O ASP A 111 -7.646 11.278 -3.285 1.00 0.00 O ATOM 762 CB ASP A 111 -8.435 12.357 -6.400 1.00 0.00 C ATOM 763 CG ASP A 111 -7.978 12.476 -7.841 1.00 0.00 C ATOM 764 OD1 ASP A 111 -6.858 12.978 -8.069 1.00 0.00 O ATOM 765 OD2 ASP A 111 -8.742 12.067 -8.740 1.00 0.00 O ATOM 0 H ASP A 111 -6.924 10.330 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.659 13.211 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.035 11.454 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.079 13.202 -6.155 1.00 0.00 H new ATOM 770 N VAL A 112 -8.386 13.386 -3.555 1.00 0.00 N ATOM 771 CA VAL A 112 -8.929 13.485 -2.205 1.00 0.00 C ATOM 772 C VAL A 112 -10.179 12.626 -2.051 1.00 0.00 C ATOM 773 O VAL A 112 -10.357 11.946 -1.042 1.00 0.00 O ATOM 774 CB VAL A 112 -9.274 14.942 -1.844 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.442 15.438 -2.683 1.00 0.00 C ATOM 776 CG2 VAL A 112 -9.583 15.064 -0.360 1.00 0.00 C ATOM 0 H VAL A 112 -8.509 14.225 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.157 13.123 -1.526 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.409 15.567 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.671 16.469 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -10.178 15.389 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.315 14.812 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.825 16.100 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.432 14.427 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.714 14.752 0.219 1.00 0.00 H new ATOM 786 N GLY A 113 -11.043 12.661 -3.062 1.00 0.00 N ATOM 787 CA GLY A 113 -12.265 11.880 -3.019 1.00 0.00 C ATOM 788 C GLY A 113 -12.008 10.414 -2.732 1.00 0.00 C ATOM 789 O GLY A 113 -12.732 9.790 -1.957 1.00 0.00 O ATOM 0 H GLY A 113 -10.918 13.216 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.925 12.286 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.786 11.974 -3.972 1.00 0.00 H new ATOM 793 N ALA A 114 -10.974 9.863 -3.359 1.00 0.00 N ATOM 794 CA ALA A 114 -10.623 8.461 -3.166 1.00 0.00 C ATOM 795 C ALA A 114 -10.471 8.132 -1.685 1.00 0.00 C ATOM 796 O ALA A 114 -10.888 7.066 -1.230 1.00 0.00 O ATOM 797 CB ALA A 114 -9.341 8.130 -3.916 1.00 0.00 C ATOM 0 H ALA A 114 -10.365 10.366 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.433 7.851 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.091 7.080 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.483 8.318 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.529 8.755 -3.543 1.00 0.00 H new ATOM 803 N ARG A 115 -9.872 9.053 -0.937 1.00 0.00 N ATOM 804 CA ARG A 115 -9.664 8.858 0.493 1.00 0.00 C ATOM 805 C ARG A 115 -10.997 8.752 1.227 1.00 0.00 C ATOM 806 O ARG A 115 -11.143 7.960 2.156 1.00 0.00 O ATOM 807 CB ARG A 115 -8.842 10.012 1.071 1.00 0.00 C ATOM 808 CG ARG A 115 -8.759 9.999 2.589 1.00 0.00 C ATOM 809 CD ARG A 115 -8.537 11.396 3.146 1.00 0.00 C ATOM 810 NE ARG A 115 -8.833 11.469 4.575 1.00 0.00 N ATOM 811 CZ ARG A 115 -9.091 12.604 5.215 1.00 0.00 C ATOM 812 NH1 ARG A 115 -9.089 13.755 4.557 1.00 0.00 N ATOM 813 NH2 ARG A 115 -9.352 12.589 6.516 1.00 0.00 N ATOM 0 H ARG A 115 -9.522 9.941 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.118 7.925 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.833 9.970 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.279 10.956 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.678 9.583 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.945 9.347 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.503 11.695 2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.167 12.105 2.609 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.842 10.601 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.889 13.770 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.287 14.625 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.355 11.705 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.550 13.461 7.007 1.00 0.00 H new ATOM 827 N GLU A 116 -11.967 9.557 0.802 1.00 0.00 N ATOM 828 CA GLU A 116 -13.287 9.554 1.420 1.00 0.00 C ATOM 829 C GLU A 116 -13.956 8.191 1.268 1.00 0.00 C ATOM 830 O GLU A 116 -14.359 7.572 2.253 1.00 0.00 O ATOM 831 CB GLU A 116 -14.169 10.639 0.798 1.00 0.00 C ATOM 832 CG GLU A 116 -13.958 12.016 1.404 1.00 0.00 C ATOM 833 CD GLU A 116 -14.574 12.147 2.783 1.00 0.00 C ATOM 834 OE1 GLU A 116 -14.761 11.108 3.450 1.00 0.00 O ATOM 835 OE2 GLU A 116 -14.871 13.288 3.195 1.00 0.00 O ATOM 0 H GLU A 116 -11.863 10.219 0.033 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.162 9.762 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.970 10.688 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.215 10.356 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.889 12.221 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.389 12.769 0.744 1.00 0.00 H new ATOM 842 N ALA A 117 -14.070 7.729 0.027 1.00 0.00 N ATOM 843 CA ALA A 117 -14.688 6.439 -0.254 1.00 0.00 C ATOM 844 C ALA A 117 -14.298 5.403 0.794 1.00 0.00 C ATOM 845 O ALA A 117 -15.154 4.856 1.490 1.00 0.00 O ATOM 846 CB ALA A 117 -14.297 5.959 -1.644 1.00 0.00 C ATOM 0 H ALA A 117 -13.742 8.229 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.770 6.566 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.765 4.995 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.632 6.683 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.214 5.855 -1.702 1.00 0.00 H new ATOM 852 N VAL A 118 -13.000 5.137 0.903 1.00 0.00 N ATOM 853 CA VAL A 118 -12.497 4.167 1.868 1.00 0.00 C ATOM 854 C VAL A 118 -13.143 4.364 3.234 1.00 0.00 C ATOM 855 O VAL A 118 -13.619 3.411 3.852 1.00 0.00 O ATOM 856 CB VAL A 118 -10.967 4.265 2.017 1.00 0.00 C ATOM 857 CG1 VAL A 118 -10.492 3.443 3.206 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.278 3.814 0.738 1.00 0.00 C ATOM 0 H VAL A 118 -12.278 5.580 0.335 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.755 3.179 1.487 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.703 5.307 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.409 3.525 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.960 3.816 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.766 2.398 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.198 3.890 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.547 2.780 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.595 4.449 -0.089 1.00 0.00 H new ATOM 868 N LEU A 119 -13.158 5.608 3.702 1.00 0.00 N ATOM 869 CA LEU A 119 -13.747 5.932 4.996 1.00 0.00 C ATOM 870 C LEU A 119 -15.248 5.661 4.995 1.00 0.00 C ATOM 871 O LEU A 119 -15.797 5.150 5.971 1.00 0.00 O ATOM 872 CB LEU A 119 -13.482 7.397 5.347 1.00 0.00 C ATOM 873 CG LEU A 119 -12.025 7.768 5.625 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.835 9.275 5.558 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.589 7.234 6.982 1.00 0.00 C ATOM 0 H LEU A 119 -12.769 6.408 3.204 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.282 5.295 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.844 8.017 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.075 7.652 6.225 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.401 7.310 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.792 9.519 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.107 9.632 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.470 9.755 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.550 7.507 7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.219 7.663 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.686 6.148 6.994 1.00 0.00 H new ATOM 887 N SER A 120 -15.905 6.004 3.892 1.00 0.00 N ATOM 888 CA SER A 120 -17.343 5.799 3.763 1.00 0.00 C ATOM 889 C SER A 120 -17.647 4.399 3.237 1.00 0.00 C ATOM 890 O SER A 120 -18.592 4.205 2.473 1.00 0.00 O ATOM 891 CB SER A 120 -17.948 6.849 2.830 1.00 0.00 C ATOM 892 OG SER A 120 -19.357 6.904 2.970 1.00 0.00 O ATOM 0 H SER A 120 -15.464 6.425 3.074 1.00 0.00 H new ATOM 0 HA SER A 120 -17.790 5.902 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.519 7.826 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.691 6.614 1.797 1.00 0.00 H new ATOM 0 HG SER A 120 -19.733 6.008 2.846 1.00 0.00 H new ATOM 898 N GLN A 121 -16.840 3.429 3.654 1.00 0.00 N ATOM 899 CA GLN A 121 -17.022 2.048 3.224 1.00 0.00 C ATOM 900 C GLN A 121 -17.631 1.206 4.341 1.00 0.00 C ATOM 901 O GLN A 121 -17.073 1.110 5.434 1.00 0.00 O ATOM 902 CB GLN A 121 -15.685 1.446 2.788 1.00 0.00 C ATOM 903 CG GLN A 121 -15.821 0.369 1.723 1.00 0.00 C ATOM 904 CD GLN A 121 -17.044 -0.502 1.928 1.00 0.00 C ATOM 905 OE1 GLN A 121 -18.177 -0.056 1.746 1.00 0.00 O ATOM 906 NE2 GLN A 121 -16.822 -1.755 2.310 1.00 0.00 N ATOM 0 H GLN A 121 -16.055 3.574 4.288 1.00 0.00 H new ATOM 0 HA GLN A 121 -17.707 2.046 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.044 2.242 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.185 1.023 3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -15.875 0.839 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.929 -0.257 1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -15.867 -2.084 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -17.607 -2.388 2.464 1.00 0.00 H new ATOM 915 N SER A 122 -18.779 0.599 4.059 1.00 0.00 N ATOM 916 CA SER A 122 -19.467 -0.231 5.042 1.00 0.00 C ATOM 917 C SER A 122 -18.465 -0.989 5.908 1.00 0.00 C ATOM 918 O SER A 122 -18.250 -0.647 7.070 1.00 0.00 O ATOM 919 CB SER A 122 -20.402 -1.218 4.341 1.00 0.00 C ATOM 920 OG SER A 122 -21.472 -0.542 3.704 1.00 0.00 O ATOM 0 H SER A 122 -19.253 0.666 3.158 1.00 0.00 H new ATOM 0 HA SER A 122 -20.056 0.422 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.842 -1.794 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.797 -1.928 5.067 1.00 0.00 H new ATOM 0 HG SER A 122 -22.054 -1.195 3.262 1.00 0.00 H new ATOM 926 N GLN A 123 -17.856 -2.021 5.332 1.00 0.00 N ATOM 927 CA GLN A 123 -16.878 -2.829 6.051 1.00 0.00 C ATOM 928 C GLN A 123 -15.690 -3.169 5.157 1.00 0.00 C ATOM 929 O GLN A 123 -15.860 -3.523 3.990 1.00 0.00 O ATOM 930 CB GLN A 123 -17.527 -4.114 6.567 1.00 0.00 C ATOM 931 CG GLN A 123 -18.493 -4.747 5.579 1.00 0.00 C ATOM 932 CD GLN A 123 -19.114 -6.025 6.107 1.00 0.00 C ATOM 933 OE1 GLN A 123 -18.854 -6.434 7.239 1.00 0.00 O ATOM 934 NE2 GLN A 123 -19.941 -6.665 5.288 1.00 0.00 N ATOM 0 H GLN A 123 -18.023 -2.317 4.370 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.517 -2.247 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -16.745 -4.834 6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -18.059 -3.896 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -19.283 -4.035 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -17.967 -4.961 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -20.129 -6.291 4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -20.388 -7.531 5.589 1.00 0.00 H new ATOM 943 N HIS A 124 -14.487 -3.057 5.712 1.00 0.00 N ATOM 944 CA HIS A 124 -13.270 -3.353 4.964 1.00 0.00 C ATOM 945 C HIS A 124 -12.859 -4.811 5.150 1.00 0.00 C ATOM 946 O HIS A 124 -12.863 -5.329 6.266 1.00 0.00 O ATOM 947 CB HIS A 124 -12.136 -2.430 5.410 1.00 0.00 C ATOM 948 CG HIS A 124 -12.248 -1.038 4.869 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.328 -0.759 3.521 1.00 0.00 N ATOM 950 CD2 HIS A 124 -12.297 0.157 5.503 1.00 0.00 C ATOM 951 CE1 HIS A 124 -12.418 0.548 3.349 1.00 0.00 C ATOM 952 NE2 HIS A 124 -12.402 1.126 4.536 1.00 0.00 N ATOM 0 H HIS A 124 -14.329 -2.764 6.676 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.472 -3.183 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.120 -2.387 6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.185 -2.858 5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.260 0.318 6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -12.492 1.057 2.399 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -12.459 2.130 4.707 1.00 0.00 H new ATOM 960 N SER A 125 -12.506 -5.466 4.049 1.00 0.00 N ATOM 961 CA SER A 125 -12.097 -6.865 4.090 1.00 0.00 C ATOM 962 C SER A 125 -11.253 -7.221 2.870 1.00 0.00 C ATOM 963 O SER A 125 -11.562 -6.817 1.748 1.00 0.00 O ATOM 964 CB SER A 125 -13.324 -7.776 4.158 1.00 0.00 C ATOM 965 OG SER A 125 -13.018 -8.996 4.810 1.00 0.00 O ATOM 0 H SER A 125 -12.495 -5.050 3.118 1.00 0.00 H new ATOM 0 HA SER A 125 -11.492 -7.014 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.129 -7.268 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.686 -7.979 3.150 1.00 0.00 H new ATOM 0 HG SER A 125 -12.233 -8.873 5.383 1.00 0.00 H new ATOM 971 N LEU A 126 -10.186 -7.979 3.097 1.00 0.00 N ATOM 972 CA LEU A 126 -9.295 -8.390 2.017 1.00 0.00 C ATOM 973 C LEU A 126 -9.605 -9.815 1.569 1.00 0.00 C ATOM 974 O LEU A 126 -8.898 -10.756 1.926 1.00 0.00 O ATOM 975 CB LEU A 126 -7.837 -8.290 2.466 1.00 0.00 C ATOM 976 CG LEU A 126 -6.786 -8.672 1.423 1.00 0.00 C ATOM 977 CD1 LEU A 126 -6.828 -7.711 0.245 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.398 -8.692 2.047 1.00 0.00 C ATOM 0 H LEU A 126 -9.917 -8.322 4.019 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.455 -7.720 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.646 -7.266 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.702 -8.928 3.339 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.013 -9.673 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.073 -7.999 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.814 -7.746 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.627 -6.698 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.663 -8.966 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.162 -7.704 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.374 -9.421 2.857 1.00 0.00 H new ATOM 990 N GLY A 127 -10.666 -9.965 0.782 1.00 0.00 N ATOM 991 CA GLY A 127 -11.049 -11.278 0.296 1.00 0.00 C ATOM 992 C GLY A 127 -11.070 -12.320 1.396 1.00 0.00 C ATOM 993 O GLY A 127 -10.423 -13.360 1.288 1.00 0.00 O ATOM 0 H GLY A 127 -11.267 -9.201 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.036 -11.219 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -10.354 -11.591 -0.483 1.00 0.00 H new ATOM 997 N GLY A 128 -11.816 -12.039 2.460 1.00 0.00 N ATOM 998 CA GLY A 128 -11.904 -12.969 3.571 1.00 0.00 C ATOM 999 C GLY A 128 -11.423 -12.363 4.874 1.00 0.00 C ATOM 1000 O GLY A 128 -12.201 -12.196 5.814 1.00 0.00 O ATOM 0 H GLY A 128 -12.361 -11.184 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.937 -13.296 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.312 -13.856 3.346 1.00 0.00 H new ATOM 1004 N HIS A 129 -10.136 -12.034 4.933 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.552 -11.443 6.132 1.00 0.00 C ATOM 1006 C HIS A 129 -10.095 -10.037 6.365 1.00 0.00 C ATOM 1007 O HIS A 129 -10.640 -9.413 5.454 1.00 0.00 O ATOM 1008 CB HIS A 129 -8.028 -11.402 6.015 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.402 -12.754 5.867 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -7.105 -13.567 6.940 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.017 -13.435 4.762 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -6.563 -14.690 6.502 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.499 -14.635 5.184 1.00 0.00 N ATOM 0 H HIS A 129 -9.478 -12.167 4.165 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.827 -12.064 6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.754 -10.788 5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.617 -10.915 6.899 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -7.101 -13.098 3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -6.229 -15.513 7.117 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.125 -15.365 4.578 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.943 -9.544 7.590 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.420 -8.212 7.942 1.00 0.00 C ATOM 1023 C ARG A 130 -9.250 -7.255 8.157 1.00 0.00 C ATOM 1024 O ARG A 130 -8.120 -7.683 8.393 1.00 0.00 O ATOM 1025 CB ARG A 130 -11.281 -8.273 9.205 1.00 0.00 C ATOM 1026 CG ARG A 130 -10.480 -8.485 10.479 1.00 0.00 C ATOM 1027 CD ARG A 130 -11.208 -7.930 11.693 1.00 0.00 C ATOM 1028 NE ARG A 130 -12.086 -8.923 12.307 1.00 0.00 N ATOM 1029 CZ ARG A 130 -12.574 -8.812 13.537 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -12.272 -7.757 14.281 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -13.367 -9.757 14.025 1.00 0.00 N ATOM 0 H ARG A 130 -9.493 -10.047 8.355 1.00 0.00 H new ATOM 0 HA ARG A 130 -11.025 -7.840 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.848 -7.346 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -12.005 -9.081 9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -10.294 -9.550 10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -9.508 -8.001 10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -10.479 -7.587 12.427 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -11.795 -7.061 11.397 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.338 -9.747 11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.663 -7.028 13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -12.648 -7.674 15.225 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -13.602 -10.570 13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.741 -9.671 14.970 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.530 -5.960 8.073 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.502 -4.941 8.258 1.00 0.00 C ATOM 1047 C LEU A 131 -8.983 -3.848 9.207 1.00 0.00 C ATOM 1048 O LEU A 131 -10.150 -3.821 9.599 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.114 -4.329 6.911 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.512 -5.291 5.886 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.323 -4.594 4.547 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.189 -5.848 6.391 1.00 0.00 C ATOM 0 H LEU A 131 -10.460 -5.590 7.878 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.627 -5.419 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -9.001 -3.872 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.398 -3.527 7.091 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.203 -6.122 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.894 -5.294 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.288 -4.244 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.652 -3.744 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.775 -6.531 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.490 -5.029 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.353 -6.384 7.326 1.00 0.00 H new ATOM 1064 N ARG A 132 -8.077 -2.946 9.570 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.409 -1.849 10.471 1.00 0.00 C ATOM 1066 C ARG A 132 -7.880 -0.523 9.933 1.00 0.00 C ATOM 1067 O ARG A 132 -6.746 -0.135 10.214 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.832 -2.113 11.864 1.00 0.00 C ATOM 1069 CG ARG A 132 -8.534 -3.235 12.611 1.00 0.00 C ATOM 1070 CD ARG A 132 -7.682 -3.760 13.756 1.00 0.00 C ATOM 1071 NE ARG A 132 -8.347 -4.838 14.484 1.00 0.00 N ATOM 1072 CZ ARG A 132 -8.072 -5.151 15.745 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -7.151 -4.473 16.415 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -8.721 -6.145 16.339 1.00 0.00 N ATOM 0 H ARG A 132 -7.107 -2.953 9.254 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.495 -1.785 10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -6.774 -2.357 11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -7.897 -1.199 12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -9.486 -2.875 13.000 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -8.759 -4.048 11.921 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.731 -4.120 13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -7.456 -2.945 14.443 1.00 0.00 H new ATOM 0 HE ARG A 132 -9.061 -5.380 13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -6.651 -3.708 15.962 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -6.942 -4.716 17.383 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -9.431 -6.669 15.827 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -8.510 -6.385 17.308 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.709 0.167 9.156 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.325 1.450 8.578 1.00 0.00 C ATOM 1090 C VAL A 133 -8.913 2.609 9.375 1.00 0.00 C ATOM 1091 O VAL A 133 -10.111 2.637 9.658 1.00 0.00 O ATOM 1092 CB VAL A 133 -8.783 1.564 7.112 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.172 2.793 6.456 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.422 0.303 6.342 1.00 0.00 C ATOM 0 H VAL A 133 -9.650 -0.141 8.912 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.237 1.502 8.616 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.867 1.674 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.507 2.857 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -8.486 3.687 6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.085 2.717 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.753 0.401 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.342 0.159 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.912 -0.556 6.800 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.062 3.565 9.733 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.497 4.728 10.498 1.00 0.00 C ATOM 1106 C ARG A 134 -7.899 6.010 9.926 1.00 0.00 C ATOM 1107 O ARG A 134 -6.786 6.024 9.401 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.097 4.577 11.967 1.00 0.00 C ATOM 1109 CG ARG A 134 -6.596 4.481 12.182 1.00 0.00 C ATOM 1110 CD ARG A 134 -5.973 5.854 12.384 1.00 0.00 C ATOM 1111 NE ARG A 134 -6.204 6.367 13.731 1.00 0.00 N ATOM 1112 CZ ARG A 134 -5.509 5.979 14.795 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -4.544 5.078 14.668 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -5.778 6.492 15.988 1.00 0.00 N ATOM 0 H ARG A 134 -7.068 3.557 9.506 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.583 4.792 10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.482 5.428 12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.572 3.684 12.374 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.391 3.856 13.051 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.135 3.994 11.323 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -4.901 5.797 12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.387 6.551 11.655 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.939 7.061 13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.334 4.681 13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.012 4.782 15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.519 7.185 16.090 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.244 6.193 16.804 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.656 7.113 10.027 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.222 8.420 9.525 1.00 0.00 C ATOM 1130 C PRO A 135 -6.784 8.742 9.917 1.00 0.00 C ATOM 1131 O PRO A 135 -6.472 8.898 11.098 1.00 0.00 O ATOM 1132 CB PRO A 135 -9.191 9.397 10.196 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.429 8.602 10.430 1.00 0.00 C ATOM 1134 CD PRO A 135 -9.994 7.168 10.640 1.00 0.00 C ATOM 0 HA PRO A 135 -8.237 8.464 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.783 9.779 11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.389 10.259 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -10.968 8.974 11.301 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -11.105 8.680 9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -9.960 6.911 11.699 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.681 6.468 10.164 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.912 8.842 8.919 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.506 9.145 9.160 1.00 0.00 C ATOM 1144 C ARG A 136 -4.353 10.134 10.312 1.00 0.00 C ATOM 1145 O ARG A 136 -3.734 9.824 11.330 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.861 9.716 7.895 1.00 0.00 C ATOM 1147 CG ARG A 136 -2.436 10.200 8.104 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.449 9.043 8.102 1.00 0.00 C ATOM 1149 NE ARG A 136 -0.184 9.402 8.738 1.00 0.00 N ATOM 1150 CZ ARG A 136 0.017 9.360 10.050 1.00 0.00 C ATOM 1151 NH1 ARG A 136 -0.958 8.977 10.862 1.00 0.00 N ATOM 1152 NH2 ARG A 136 1.197 9.702 10.553 1.00 0.00 N ATOM 0 H ARG A 136 -6.154 8.718 7.936 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.001 8.217 9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.866 8.952 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.468 10.545 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.172 10.907 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.368 10.736 9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.888 8.191 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.262 8.728 7.075 1.00 0.00 H new ATOM 0 HE ARG A 136 0.587 9.701 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.866 8.713 10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.800 8.946 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.950 9.997 9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.351 9.669 11.561 1.00 0.00 H new