USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 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 117 THR OG1 : rot 180:sc= -0.346 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.92 X(o=-2.3,f=-2.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= -0.019 (180deg=-0.166) USER MOD Single : A 79 CYS SG : rot -14:sc= -1.49! USER MOD Single : A 80 MET CE :methyl 158:sc= -0.0761 (180deg=-0.528) USER MOD Single : A 84 SER OG : rot -26:sc= 0.0181 USER MOD Single : A 88 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.14) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0229 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.15 K(o=1.2,f=-0.16) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 111 TYR OH : rot -131:sc= 0.149 USER MOD Single : A 113 ASN : amide:sc=-0.00577 K(o=-0.0058,f=-0.93) USER MOD Single : A 123 LYS NZ :NH3+ -150:sc= 1.26 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.149 5.999 -1.021 1.00 0.00 N ATOM 112 CA TRP A 73 7.054 6.251 -0.135 1.00 0.00 C ATOM 113 C TRP A 73 7.555 6.634 1.224 1.00 0.00 C ATOM 114 O TRP A 73 8.659 6.229 1.622 1.00 0.00 O ATOM 115 CB TRP A 73 6.169 5.025 -0.034 1.00 0.00 C ATOM 116 CG TRP A 73 5.480 4.671 -1.312 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.764 3.627 -2.130 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.402 5.380 -1.926 1.00 0.00 C ATOM 119 NE1 TRP A 73 4.908 3.619 -3.198 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.070 4.691 -3.102 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.680 6.526 -1.590 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.054 5.105 -3.943 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.671 6.937 -2.428 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.367 6.225 -3.595 1.00 0.00 C ATOM 0 HA TRP A 73 6.469 7.078 -0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.774 4.177 0.289 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.418 5.193 0.738 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.551 2.907 -1.963 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.898 2.924 -3.945 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.909 7.078 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.815 4.559 -4.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.104 7.823 -2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.568 6.574 -4.233 1.00 0.00 H new ATOM 135 N LYS A 74 6.779 7.416 1.921 1.00 0.00 N ATOM 136 CA LYS A 74 7.109 7.835 3.253 1.00 0.00 C ATOM 137 C LYS A 74 5.897 7.644 4.153 1.00 0.00 C ATOM 138 O LYS A 74 4.777 7.494 3.665 1.00 0.00 O ATOM 139 CB LYS A 74 7.529 9.302 3.282 1.00 0.00 C ATOM 140 CG LYS A 74 6.445 10.259 2.811 1.00 0.00 C ATOM 141 CD LYS A 74 6.787 11.698 3.127 1.00 0.00 C ATOM 142 CE LYS A 74 6.885 11.926 4.631 1.00 0.00 C ATOM 143 NZ LYS A 74 6.988 13.356 4.980 1.00 0.00 N ATOM 0 H LYS A 74 5.892 7.783 1.577 1.00 0.00 H new ATOM 0 HA LYS A 74 7.944 7.231 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.819 9.568 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.412 9.430 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.304 10.147 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.499 9.998 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.733 11.961 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.027 12.356 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.008 11.499 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.755 11.397 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.052 13.457 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.838 13.761 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.146 13.859 4.634 1.00 0.00 H new ATOM 157 N VAL A 75 6.127 7.605 5.441 1.00 0.00 N ATOM 158 CA VAL A 75 5.060 7.525 6.418 1.00 0.00 C ATOM 159 C VAL A 75 4.208 8.797 6.343 1.00 0.00 C ATOM 160 O VAL A 75 4.748 9.912 6.261 1.00 0.00 O ATOM 161 CB VAL A 75 5.630 7.346 7.846 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.521 7.313 8.886 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.454 6.074 7.931 1.00 0.00 C ATOM 0 H VAL A 75 7.062 7.628 5.848 1.00 0.00 H new ATOM 0 HA VAL A 75 4.441 6.657 6.193 1.00 0.00 H new ATOM 0 HB VAL A 75 6.269 8.203 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.956 7.186 9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.962 8.248 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.849 6.481 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.848 5.962 8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.826 5.217 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.281 6.128 7.223 1.00 0.00 H new ATOM 173 N GLY A 76 2.907 8.634 6.347 1.00 0.00 N ATOM 174 CA GLY A 76 2.022 9.767 6.260 1.00 0.00 C ATOM 175 C GLY A 76 1.767 10.182 4.832 1.00 0.00 C ATOM 176 O GLY A 76 1.348 11.313 4.569 1.00 0.00 O ATOM 0 H GLY A 76 2.440 7.729 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.074 9.524 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.452 10.605 6.809 1.00 0.00 H new ATOM 180 N ASP A 77 2.046 9.298 3.902 1.00 0.00 N ATOM 181 CA ASP A 77 1.793 9.588 2.496 1.00 0.00 C ATOM 182 C ASP A 77 0.513 8.940 2.135 1.00 0.00 C ATOM 183 O ASP A 77 0.109 7.952 2.776 1.00 0.00 O ATOM 184 CB ASP A 77 2.846 8.968 1.608 1.00 0.00 C ATOM 185 CG ASP A 77 3.103 9.750 0.321 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.144 10.236 -0.316 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.287 9.919 -0.049 1.00 0.00 O ATOM 0 H ASP A 77 2.445 8.377 4.084 1.00 0.00 H new ATOM 0 HA ASP A 77 1.787 10.669 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.779 8.889 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.541 7.954 1.351 1.00 0.00 H new ATOM 192 N LYS A 78 -0.107 9.420 1.121 1.00 0.00 N ATOM 193 CA LYS A 78 -1.298 8.817 0.678 1.00 0.00 C ATOM 194 C LYS A 78 -0.970 7.997 -0.525 1.00 0.00 C ATOM 195 O LYS A 78 -0.372 8.481 -1.483 1.00 0.00 O ATOM 196 CB LYS A 78 -2.374 9.855 0.350 1.00 0.00 C ATOM 197 CG LYS A 78 -2.917 10.616 1.548 1.00 0.00 C ATOM 198 CD LYS A 78 -3.733 9.714 2.466 1.00 0.00 C ATOM 199 CE LYS A 78 -4.311 10.484 3.647 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.237 11.559 3.228 1.00 0.00 N ATOM 0 H LYS A 78 0.196 10.232 0.583 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.707 8.191 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.962 10.572 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.203 9.352 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.090 11.052 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.539 11.442 1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.543 9.256 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.103 8.904 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.837 9.792 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.496 10.917 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.766 11.903 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.694 12.343 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.903 11.188 2.521 1.00 0.00 H new ATOM 214 N CYS A 79 -1.378 6.801 -0.492 1.00 0.00 N ATOM 215 CA CYS A 79 -1.129 5.892 -1.554 1.00 0.00 C ATOM 216 C CYS A 79 -2.355 5.078 -1.812 1.00 0.00 C ATOM 217 O CYS A 79 -3.371 5.239 -1.144 1.00 0.00 O ATOM 218 CB CYS A 79 0.026 4.970 -1.171 1.00 0.00 C ATOM 219 SG CYS A 79 -0.232 4.032 0.367 1.00 0.00 S ATOM 0 H CYS A 79 -1.907 6.404 0.284 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.868 6.447 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.198 4.267 -1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.932 5.567 -1.069 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.241 4.533 1.017 1.00 0.00 H new ATOM 225 N MET A 80 -2.288 4.253 -2.785 1.00 0.00 N ATOM 226 CA MET A 80 -3.322 3.321 -3.035 1.00 0.00 C ATOM 227 C MET A 80 -2.710 1.964 -2.932 1.00 0.00 C ATOM 228 O MET A 80 -1.684 1.712 -3.534 1.00 0.00 O ATOM 229 CB MET A 80 -3.977 3.519 -4.404 1.00 0.00 C ATOM 230 CG MET A 80 -4.456 4.937 -4.660 1.00 0.00 C ATOM 231 SD MET A 80 -5.528 5.074 -6.097 1.00 0.00 S ATOM 232 CE MET A 80 -6.995 4.253 -5.469 1.00 0.00 C ATOM 0 H MET A 80 -1.507 4.203 -3.439 1.00 0.00 H new ATOM 0 HA MET A 80 -4.122 3.457 -2.307 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.264 3.242 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.824 2.839 -4.492 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.990 5.298 -3.781 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.591 5.587 -4.796 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.865 4.574 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.876 3.174 -5.563 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.136 4.513 -4.420 1.00 0.00 H new ATOM 242 N ALA A 81 -3.315 1.120 -2.186 1.00 0.00 N ATOM 243 CA ALA A 81 -2.785 -0.182 -1.931 1.00 0.00 C ATOM 244 C ALA A 81 -3.726 -1.193 -2.462 1.00 0.00 C ATOM 245 O ALA A 81 -4.922 -0.935 -2.554 1.00 0.00 O ATOM 246 CB ALA A 81 -2.629 -0.378 -0.443 1.00 0.00 C ATOM 0 H ALA A 81 -4.205 1.307 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.813 -0.288 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.225 -1.371 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.949 0.375 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.601 -0.280 0.041 1.00 0.00 H new ATOM 252 N VAL A 82 -3.210 -2.326 -2.816 1.00 0.00 N ATOM 253 CA VAL A 82 -4.029 -3.380 -3.324 1.00 0.00 C ATOM 254 C VAL A 82 -4.530 -4.166 -2.144 1.00 0.00 C ATOM 255 O VAL A 82 -3.747 -4.782 -1.430 1.00 0.00 O ATOM 256 CB VAL A 82 -3.224 -4.306 -4.277 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.100 -5.420 -4.836 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.604 -3.498 -5.410 1.00 0.00 C ATOM 0 H VAL A 82 -2.216 -2.547 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.857 -2.965 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.424 -4.767 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.508 -6.051 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.491 -6.022 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.929 -4.985 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.044 -4.163 -6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.392 -3.005 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.931 -2.747 -4.996 1.00 0.00 H new ATOM 268 N TRP A 83 -5.823 -4.102 -1.929 1.00 0.00 N ATOM 269 CA TRP A 83 -6.457 -4.756 -0.827 1.00 0.00 C ATOM 270 C TRP A 83 -6.372 -6.233 -1.039 1.00 0.00 C ATOM 271 O TRP A 83 -6.947 -6.759 -1.998 1.00 0.00 O ATOM 272 CB TRP A 83 -7.921 -4.319 -0.717 1.00 0.00 C ATOM 273 CG TRP A 83 -8.582 -4.702 0.580 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.981 -4.818 1.788 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.969 -4.965 0.809 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.883 -5.156 2.743 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.113 -5.246 2.179 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.102 -4.996 0.005 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.334 -5.552 2.751 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.313 -5.301 0.589 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.406 -5.574 1.951 1.00 0.00 C ATOM 0 H TRP A 83 -6.466 -3.585 -2.528 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.954 -4.485 0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.975 -3.237 -0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.483 -4.758 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.927 -4.663 1.967 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.670 -5.317 3.728 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.035 -4.786 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.419 -5.766 3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.204 -5.329 -0.020 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.371 -5.810 2.374 1.00 0.00 H new ATOM 292 N SER A 84 -5.682 -6.887 -0.147 1.00 0.00 N ATOM 293 CA SER A 84 -5.414 -8.312 -0.206 1.00 0.00 C ATOM 294 C SER A 84 -6.708 -9.138 -0.224 1.00 0.00 C ATOM 295 O SER A 84 -6.694 -10.310 -0.613 1.00 0.00 O ATOM 296 CB SER A 84 -4.522 -8.715 0.986 1.00 0.00 C ATOM 297 OG SER A 84 -4.132 -10.089 0.943 1.00 0.00 O ATOM 0 H SER A 84 -5.274 -6.435 0.671 1.00 0.00 H new ATOM 0 HA SER A 84 -4.891 -8.524 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.630 -8.089 0.995 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.057 -8.522 1.916 1.00 0.00 H new ATOM 0 HG SER A 84 -4.802 -10.604 0.447 1.00 0.00 H new ATOM 303 N GLU A 85 -7.808 -8.529 0.171 1.00 0.00 N ATOM 304 CA GLU A 85 -9.082 -9.204 0.207 1.00 0.00 C ATOM 305 C GLU A 85 -9.781 -9.178 -1.151 1.00 0.00 C ATOM 306 O GLU A 85 -10.326 -10.194 -1.604 1.00 0.00 O ATOM 307 CB GLU A 85 -9.977 -8.542 1.226 1.00 0.00 C ATOM 308 CG GLU A 85 -9.426 -8.539 2.633 1.00 0.00 C ATOM 309 CD GLU A 85 -9.284 -9.925 3.201 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.310 -10.531 3.560 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.159 -10.443 3.298 1.00 0.00 O ATOM 0 H GLU A 85 -7.840 -7.556 0.474 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.894 -10.243 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.158 -7.512 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.942 -9.049 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.453 -8.047 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.083 -7.952 3.275 1.00 0.00 H new ATOM 318 N ASP A 86 -9.745 -8.043 -1.817 1.00 0.00 N ATOM 319 CA ASP A 86 -10.543 -7.892 -3.039 1.00 0.00 C ATOM 320 C ASP A 86 -9.666 -7.927 -4.284 1.00 0.00 C ATOM 321 O ASP A 86 -10.130 -8.245 -5.372 1.00 0.00 O ATOM 322 CB ASP A 86 -11.300 -6.565 -2.967 1.00 0.00 C ATOM 323 CG ASP A 86 -12.407 -6.423 -3.981 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.158 -5.984 -5.099 1.00 0.00 O ATOM 325 OD2 ASP A 86 -13.585 -6.708 -3.630 1.00 0.00 O ATOM 0 H ASP A 86 -9.193 -7.227 -1.552 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.244 -8.724 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.723 -6.456 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.591 -5.748 -3.104 1.00 0.00 H new ATOM 330 N GLY A 87 -8.386 -7.672 -4.103 1.00 0.00 N ATOM 331 CA GLY A 87 -7.458 -7.669 -5.212 1.00 0.00 C ATOM 332 C GLY A 87 -7.474 -6.365 -5.990 1.00 0.00 C ATOM 333 O GLY A 87 -6.934 -6.290 -7.087 1.00 0.00 O ATOM 0 H GLY A 87 -7.966 -7.464 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.451 -7.851 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.701 -8.491 -5.885 1.00 0.00 H new ATOM 337 N GLN A 88 -8.101 -5.345 -5.439 1.00 0.00 N ATOM 338 CA GLN A 88 -8.174 -4.039 -6.095 1.00 0.00 C ATOM 339 C GLN A 88 -7.425 -3.005 -5.294 1.00 0.00 C ATOM 340 O GLN A 88 -7.098 -3.243 -4.138 1.00 0.00 O ATOM 341 CB GLN A 88 -9.616 -3.599 -6.323 1.00 0.00 C ATOM 342 CG GLN A 88 -10.371 -4.431 -7.339 1.00 0.00 C ATOM 343 CD GLN A 88 -9.787 -4.358 -8.738 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.167 -3.510 -9.540 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.873 -5.241 -9.048 1.00 0.00 N ATOM 0 H GLN A 88 -8.572 -5.388 -4.535 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.704 -4.136 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.149 -3.636 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.618 -2.559 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.379 -5.471 -7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.409 -4.099 -7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.578 -5.933 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.455 -5.237 -9.978 1.00 0.00 H new ATOM 354 N CYS A 89 -7.191 -1.864 -5.876 1.00 0.00 N ATOM 355 CA CYS A 89 -6.429 -0.827 -5.201 1.00 0.00 C ATOM 356 C CYS A 89 -7.327 0.246 -4.596 1.00 0.00 C ATOM 357 O CYS A 89 -8.274 0.725 -5.228 1.00 0.00 O ATOM 358 CB CYS A 89 -5.345 -0.229 -6.114 1.00 0.00 C ATOM 359 SG CYS A 89 -5.937 0.397 -7.697 1.00 0.00 S ATOM 0 H CYS A 89 -7.511 -1.619 -6.813 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.914 -1.305 -4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -4.851 0.584 -5.581 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.589 -0.992 -6.302 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.937 0.876 -8.375 1.00 0.00 H new ATOM 365 N TYR A 90 -7.033 0.599 -3.363 1.00 0.00 N ATOM 366 CA TYR A 90 -7.809 1.556 -2.592 1.00 0.00 C ATOM 367 C TYR A 90 -6.883 2.532 -1.899 1.00 0.00 C ATOM 368 O TYR A 90 -5.730 2.214 -1.660 1.00 0.00 O ATOM 369 CB TYR A 90 -8.653 0.830 -1.550 1.00 0.00 C ATOM 370 CG TYR A 90 -9.714 -0.086 -2.125 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.385 -1.356 -2.572 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.038 0.315 -2.208 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.329 -2.194 -3.090 1.00 0.00 C ATOM 374 CE2 TYR A 90 -11.999 -0.524 -2.724 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.636 -1.778 -3.166 1.00 0.00 C ATOM 376 OH TYR A 90 -12.578 -2.615 -3.689 1.00 0.00 O ATOM 0 H TYR A 90 -6.232 0.223 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.467 2.100 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.993 0.244 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.137 1.571 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.360 -1.689 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.319 1.299 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.051 -3.178 -3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.028 -0.203 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.453 -2.174 -3.672 1.00 0.00 H new ATOM 386 N GLU A 91 -7.401 3.686 -1.560 1.00 0.00 N ATOM 387 CA GLU A 91 -6.626 4.754 -0.953 1.00 0.00 C ATOM 388 C GLU A 91 -6.300 4.422 0.509 1.00 0.00 C ATOM 389 O GLU A 91 -7.180 4.093 1.307 1.00 0.00 O ATOM 390 CB GLU A 91 -7.403 6.066 -1.071 1.00 0.00 C ATOM 391 CG GLU A 91 -6.668 7.300 -0.586 1.00 0.00 C ATOM 392 CD GLU A 91 -7.465 8.553 -0.825 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.460 9.071 -1.967 1.00 0.00 O ATOM 394 OE2 GLU A 91 -8.128 9.043 0.115 1.00 0.00 O ATOM 0 H GLU A 91 -8.385 3.919 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.676 4.861 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.678 6.214 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.331 5.971 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.455 7.202 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.708 7.376 -1.097 1.00 0.00 H new ATOM 401 N ALA A 92 -5.035 4.480 0.830 1.00 0.00 N ATOM 402 CA ALA A 92 -4.530 4.137 2.135 1.00 0.00 C ATOM 403 C ALA A 92 -3.378 5.046 2.512 1.00 0.00 C ATOM 404 O ALA A 92 -2.670 5.554 1.638 1.00 0.00 O ATOM 405 CB ALA A 92 -4.053 2.705 2.110 1.00 0.00 C ATOM 0 H ALA A 92 -4.309 4.774 0.177 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.324 4.258 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.668 2.433 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.884 2.049 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.262 2.598 1.368 1.00 0.00 H new ATOM 411 N GLU A 93 -3.182 5.249 3.783 1.00 0.00 N ATOM 412 CA GLU A 93 -2.077 6.047 4.247 1.00 0.00 C ATOM 413 C GLU A 93 -1.046 5.137 4.884 1.00 0.00 C ATOM 414 O GLU A 93 -1.394 4.192 5.598 1.00 0.00 O ATOM 415 CB GLU A 93 -2.522 7.147 5.224 1.00 0.00 C ATOM 416 CG GLU A 93 -1.373 8.064 5.647 1.00 0.00 C ATOM 417 CD GLU A 93 -1.792 9.204 6.534 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.238 10.240 6.012 1.00 0.00 O ATOM 419 OE2 GLU A 93 -1.635 9.101 7.763 1.00 0.00 O ATOM 0 H GLU A 93 -3.775 4.872 4.522 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.638 6.559 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.306 7.745 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.957 6.685 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.621 7.470 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.897 8.469 4.754 1.00 0.00 H new ATOM 426 N ILE A 94 0.192 5.384 4.578 1.00 0.00 N ATOM 427 CA ILE A 94 1.303 4.598 5.089 1.00 0.00 C ATOM 428 C ILE A 94 1.623 4.964 6.530 1.00 0.00 C ATOM 429 O ILE A 94 1.907 6.119 6.841 1.00 0.00 O ATOM 430 CB ILE A 94 2.550 4.809 4.226 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.203 4.491 2.784 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.689 3.916 4.718 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.238 4.906 1.791 1.00 0.00 C ATOM 0 H ILE A 94 0.475 6.144 3.959 1.00 0.00 H new ATOM 0 HA ILE A 94 1.006 3.550 5.052 1.00 0.00 H new ATOM 0 HB ILE A 94 2.881 5.845 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.039 3.417 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.261 4.980 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.570 4.075 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.925 4.164 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.385 2.871 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.907 4.640 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.387 5.984 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.177 4.397 2.010 1.00 0.00 H new ATOM 445 N GLU A 95 1.598 3.972 7.373 1.00 0.00 N ATOM 446 CA GLU A 95 1.852 4.127 8.794 1.00 0.00 C ATOM 447 C GLU A 95 3.286 3.744 9.144 1.00 0.00 C ATOM 448 O GLU A 95 3.878 4.284 10.092 1.00 0.00 O ATOM 449 CB GLU A 95 0.885 3.246 9.554 1.00 0.00 C ATOM 450 CG GLU A 95 -0.557 3.663 9.390 1.00 0.00 C ATOM 451 CD GLU A 95 -0.913 4.878 10.217 1.00 0.00 C ATOM 452 OE1 GLU A 95 -0.418 5.986 9.941 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.699 4.745 11.175 1.00 0.00 O ATOM 0 H GLU A 95 1.398 3.011 7.096 1.00 0.00 H new ATOM 0 HA GLU A 95 1.712 5.172 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.999 2.216 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.143 3.264 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.752 3.875 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.205 2.834 9.673 1.00 0.00 H new ATOM 460 N GLU A 96 3.834 2.810 8.402 1.00 0.00 N ATOM 461 CA GLU A 96 5.194 2.333 8.636 1.00 0.00 C ATOM 462 C GLU A 96 5.726 1.687 7.373 1.00 0.00 C ATOM 463 O GLU A 96 4.960 1.128 6.600 1.00 0.00 O ATOM 464 CB GLU A 96 5.205 1.332 9.803 1.00 0.00 C ATOM 465 CG GLU A 96 6.578 0.796 10.177 1.00 0.00 C ATOM 466 CD GLU A 96 6.522 -0.159 11.330 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.295 -1.366 11.111 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.695 0.279 12.478 1.00 0.00 O ATOM 0 H GLU A 96 3.360 2.356 7.621 1.00 0.00 H new ATOM 0 HA GLU A 96 5.836 3.174 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.768 1.813 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.561 0.491 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.017 0.295 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.234 1.629 10.430 1.00 0.00 H new ATOM 475 N ILE A 97 7.008 1.800 7.156 1.00 0.00 N ATOM 476 CA ILE A 97 7.659 1.235 5.993 1.00 0.00 C ATOM 477 C ILE A 97 8.739 0.261 6.434 1.00 0.00 C ATOM 478 O ILE A 97 9.529 0.561 7.332 1.00 0.00 O ATOM 479 CB ILE A 97 8.306 2.363 5.152 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.238 3.330 4.685 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.067 1.806 3.944 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.763 4.689 4.423 1.00 0.00 C ATOM 0 H ILE A 97 7.642 2.292 7.786 1.00 0.00 H new ATOM 0 HA ILE A 97 6.916 0.712 5.391 1.00 0.00 H new ATOM 0 HB ILE A 97 9.024 2.883 5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.777 2.943 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.454 3.389 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.506 2.629 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.858 1.139 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.379 1.253 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.950 5.335 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.199 5.093 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.527 4.641 3.647 1.00 0.00 H new ATOM 494 N ASP A 98 8.747 -0.889 5.825 1.00 0.00 N ATOM 495 CA ASP A 98 9.759 -1.892 6.038 1.00 0.00 C ATOM 496 C ASP A 98 10.627 -1.915 4.815 1.00 0.00 C ATOM 497 O ASP A 98 10.279 -2.507 3.797 1.00 0.00 O ATOM 498 CB ASP A 98 9.162 -3.279 6.250 1.00 0.00 C ATOM 499 CG ASP A 98 10.234 -4.314 6.511 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.820 -4.833 5.553 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.506 -4.617 7.688 1.00 0.00 O ATOM 0 H ASP A 98 8.034 -1.166 5.150 1.00 0.00 H new ATOM 0 HA ASP A 98 10.321 -1.642 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.469 -3.253 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.585 -3.566 5.371 1.00 0.00 H new ATOM 506 N GLU A 99 11.699 -1.201 4.881 1.00 0.00 N ATOM 507 CA GLU A 99 12.617 -1.064 3.774 1.00 0.00 C ATOM 508 C GLU A 99 13.335 -2.369 3.431 1.00 0.00 C ATOM 509 O GLU A 99 13.828 -2.530 2.323 1.00 0.00 O ATOM 510 CB GLU A 99 13.606 0.034 4.063 1.00 0.00 C ATOM 511 CG GLU A 99 12.938 1.360 4.368 1.00 0.00 C ATOM 512 CD GLU A 99 13.918 2.445 4.656 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.374 2.551 5.809 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.251 3.215 3.735 1.00 0.00 O ATOM 0 H GLU A 99 11.977 -0.683 5.714 1.00 0.00 H new ATOM 0 HA GLU A 99 12.029 -0.801 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.229 -0.257 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.269 0.155 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.317 1.652 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.274 1.239 5.224 1.00 0.00 H new ATOM 521 N GLU A 100 13.362 -3.299 4.370 1.00 0.00 N ATOM 522 CA GLU A 100 14.094 -4.544 4.201 1.00 0.00 C ATOM 523 C GLU A 100 13.372 -5.405 3.154 1.00 0.00 C ATOM 524 O GLU A 100 13.992 -5.973 2.261 1.00 0.00 O ATOM 525 CB GLU A 100 14.165 -5.259 5.563 1.00 0.00 C ATOM 526 CG GLU A 100 15.317 -6.264 5.757 1.00 0.00 C ATOM 527 CD GLU A 100 15.287 -7.459 4.834 1.00 0.00 C ATOM 528 OE1 GLU A 100 14.358 -8.282 4.937 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.197 -7.600 3.993 1.00 0.00 O ATOM 0 H GLU A 100 12.881 -3.214 5.265 1.00 0.00 H new ATOM 0 HA GLU A 100 15.110 -4.359 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.240 -4.500 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.224 -5.786 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.263 -5.740 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.299 -6.620 6.787 1.00 0.00 H new ATOM 536 N ASN A 101 12.066 -5.452 3.243 1.00 0.00 N ATOM 537 CA ASN A 101 11.266 -6.199 2.281 1.00 0.00 C ATOM 538 C ASN A 101 10.726 -5.288 1.221 1.00 0.00 C ATOM 539 O ASN A 101 10.251 -5.748 0.181 1.00 0.00 O ATOM 540 CB ASN A 101 10.085 -6.895 2.954 1.00 0.00 C ATOM 541 CG ASN A 101 10.484 -7.912 3.989 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.684 -9.090 3.684 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.617 -7.478 5.197 1.00 0.00 N ATOM 0 H ASN A 101 11.525 -4.984 3.970 1.00 0.00 H new ATOM 0 HA ASN A 101 11.924 -6.947 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.452 -6.142 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.482 -7.386 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.897 -8.117 5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.442 -6.496 5.408 1.00 0.00 H new ATOM 550 N GLY A 102 10.801 -4.002 1.471 1.00 0.00 N ATOM 551 CA GLY A 102 10.233 -3.051 0.561 1.00 0.00 C ATOM 552 C GLY A 102 8.729 -3.053 0.692 1.00 0.00 C ATOM 553 O GLY A 102 7.999 -2.880 -0.294 1.00 0.00 O ATOM 0 H GLY A 102 11.248 -3.597 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.624 -2.055 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.518 -3.297 -0.462 1.00 0.00 H new ATOM 557 N THR A 103 8.260 -3.282 1.899 1.00 0.00 N ATOM 558 CA THR A 103 6.860 -3.320 2.176 1.00 0.00 C ATOM 559 C THR A 103 6.462 -2.178 3.084 1.00 0.00 C ATOM 560 O THR A 103 7.304 -1.552 3.706 1.00 0.00 O ATOM 561 CB THR A 103 6.446 -4.678 2.784 1.00 0.00 C ATOM 562 OG1 THR A 103 7.331 -5.026 3.856 1.00 0.00 O ATOM 563 CG2 THR A 103 6.465 -5.785 1.737 1.00 0.00 C ATOM 0 H THR A 103 8.851 -3.447 2.714 1.00 0.00 H new ATOM 0 HA THR A 103 6.329 -3.205 1.231 1.00 0.00 H new ATOM 0 HB THR A 103 5.428 -4.576 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.060 -5.887 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.169 -6.727 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.769 -5.539 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.471 -5.882 1.328 1.00 0.00 H new ATOM 571 N ALA A 104 5.209 -1.871 3.109 1.00 0.00 N ATOM 572 CA ALA A 104 4.713 -0.837 3.944 1.00 0.00 C ATOM 573 C ALA A 104 3.440 -1.278 4.604 1.00 0.00 C ATOM 574 O ALA A 104 2.662 -2.052 4.031 1.00 0.00 O ATOM 575 CB ALA A 104 4.478 0.428 3.143 1.00 0.00 C ATOM 0 H ALA A 104 4.497 -2.336 2.545 1.00 0.00 H new ATOM 0 HA ALA A 104 5.455 -0.623 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.098 1.210 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.417 0.755 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.750 0.230 2.356 1.00 0.00 H new ATOM 581 N ALA A 105 3.254 -0.827 5.800 1.00 0.00 N ATOM 582 CA ALA A 105 2.066 -1.074 6.538 1.00 0.00 C ATOM 583 C ALA A 105 1.179 0.118 6.334 1.00 0.00 C ATOM 584 O ALA A 105 1.568 1.264 6.640 1.00 0.00 O ATOM 585 CB ALA A 105 2.390 -1.276 7.993 1.00 0.00 C ATOM 0 H ALA A 105 3.941 -0.264 6.301 1.00 0.00 H new ATOM 0 HA ALA A 105 1.565 -1.981 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.471 -1.464 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.061 -2.128 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.874 -0.382 8.386 1.00 0.00 H new ATOM 591 N ILE A 106 0.034 -0.118 5.805 1.00 0.00 N ATOM 592 CA ILE A 106 -0.836 0.945 5.391 1.00 0.00 C ATOM 593 C ILE A 106 -2.197 0.808 6.030 1.00 0.00 C ATOM 594 O ILE A 106 -2.620 -0.302 6.343 1.00 0.00 O ATOM 595 CB ILE A 106 -0.975 0.927 3.835 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.508 -0.431 3.337 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.333 1.268 3.152 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.966 -0.413 3.044 1.00 0.00 C ATOM 0 H ILE A 106 -0.337 -1.054 5.642 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.404 1.893 5.711 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.700 1.697 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.966 -0.719 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.304 -1.193 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.196 1.245 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.653 2.265 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.093 0.540 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.280 -1.398 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.516 -0.154 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.173 0.326 2.270 1.00 0.00 H new ATOM 610 N THR A 107 -2.859 1.913 6.220 1.00 0.00 N ATOM 611 CA THR A 107 -4.185 1.926 6.746 1.00 0.00 C ATOM 612 C THR A 107 -5.122 2.503 5.694 1.00 0.00 C ATOM 613 O THR A 107 -4.911 3.612 5.201 1.00 0.00 O ATOM 614 CB THR A 107 -4.269 2.738 8.065 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.438 2.119 9.070 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.706 2.811 8.576 1.00 0.00 C ATOM 0 H THR A 107 -2.485 2.838 6.010 1.00 0.00 H new ATOM 0 HA THR A 107 -4.482 0.905 6.985 1.00 0.00 H new ATOM 0 HB THR A 107 -3.920 3.751 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.491 2.635 9.902 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.734 3.386 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.334 3.296 7.828 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.077 1.803 8.763 1.00 0.00 H new ATOM 624 N PHE A 108 -6.124 1.732 5.338 1.00 0.00 N ATOM 625 CA PHE A 108 -7.081 2.105 4.325 1.00 0.00 C ATOM 626 C PHE A 108 -7.942 3.255 4.765 1.00 0.00 C ATOM 627 O PHE A 108 -8.654 3.163 5.765 1.00 0.00 O ATOM 628 CB PHE A 108 -7.929 0.911 3.903 1.00 0.00 C ATOM 629 CG PHE A 108 -7.155 -0.112 3.135 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.844 0.127 1.810 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.735 -1.302 3.725 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.129 -0.786 1.071 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.015 -2.230 2.988 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.708 -1.968 1.656 1.00 0.00 C ATOM 0 H PHE A 108 -6.298 0.816 5.751 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.516 2.440 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.357 0.444 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.762 1.261 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.168 1.047 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.971 -1.502 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.896 -0.581 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.693 -3.154 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.142 -2.685 1.080 1.00 0.00 H new ATOM 644 N ALA A 109 -7.886 4.314 4.004 1.00 0.00 N ATOM 645 CA ALA A 109 -8.585 5.535 4.305 1.00 0.00 C ATOM 646 C ALA A 109 -10.081 5.349 4.136 1.00 0.00 C ATOM 647 O ALA A 109 -10.554 4.887 3.089 1.00 0.00 O ATOM 648 CB ALA A 109 -8.076 6.657 3.416 1.00 0.00 C ATOM 0 H ALA A 109 -7.343 4.354 3.141 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.395 5.802 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.610 7.578 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.010 6.802 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.242 6.397 2.371 1.00 0.00 H new ATOM 654 N GLY A 110 -10.808 5.650 5.177 1.00 0.00 N ATOM 655 CA GLY A 110 -12.233 5.542 5.154 1.00 0.00 C ATOM 656 C GLY A 110 -12.700 4.290 5.843 1.00 0.00 C ATOM 657 O GLY A 110 -13.541 4.344 6.738 1.00 0.00 O ATOM 0 H GLY A 110 -10.425 5.977 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.673 6.412 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.583 5.543 4.122 1.00 0.00 H new ATOM 661 N TYR A 111 -12.147 3.170 5.439 1.00 0.00 N ATOM 662 CA TYR A 111 -12.517 1.889 5.995 1.00 0.00 C ATOM 663 C TYR A 111 -11.810 1.675 7.327 1.00 0.00 C ATOM 664 O TYR A 111 -12.420 1.269 8.308 1.00 0.00 O ATOM 665 CB TYR A 111 -12.133 0.791 5.037 1.00 0.00 C ATOM 666 CG TYR A 111 -12.562 1.033 3.613 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.840 0.726 3.186 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.666 1.552 2.690 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.216 0.932 1.875 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.029 1.762 1.386 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.309 1.449 0.981 1.00 0.00 C ATOM 672 OH TYR A 111 -13.688 1.666 -0.325 1.00 0.00 O ATOM 0 H TYR A 111 -11.429 3.121 4.716 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.595 1.870 6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.051 0.665 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.571 -0.146 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.553 0.320 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.662 1.795 3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.218 0.688 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.319 2.169 0.682 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.022 1.275 -0.928 1.00 0.00 H new ATOM 682 N GLY A 112 -10.524 1.938 7.352 1.00 0.00 N ATOM 683 CA GLY A 112 -9.779 1.851 8.585 1.00 0.00 C ATOM 684 C GLY A 112 -9.006 0.556 8.783 1.00 0.00 C ATOM 685 O GLY A 112 -8.531 0.302 9.877 1.00 0.00 O ATOM 0 H GLY A 112 -9.975 2.212 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.078 2.684 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.471 1.974 9.418 1.00 0.00 H new ATOM 689 N ASN A 113 -8.844 -0.254 7.744 1.00 0.00 N ATOM 690 CA ASN A 113 -8.086 -1.521 7.910 1.00 0.00 C ATOM 691 C ASN A 113 -6.643 -1.284 7.663 1.00 0.00 C ATOM 692 O ASN A 113 -6.279 -0.246 7.146 1.00 0.00 O ATOM 693 CB ASN A 113 -8.538 -2.657 6.994 1.00 0.00 C ATOM 694 CG ASN A 113 -9.897 -3.215 7.294 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.404 -3.125 8.421 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.449 -3.871 6.326 1.00 0.00 N ATOM 0 H ASN A 113 -9.205 -0.081 6.806 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.281 -1.835 8.935 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.529 -2.298 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.809 -3.465 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.341 -4.343 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.992 -3.916 5.415 1.00 0.00 H new ATOM 703 N ALA A 114 -5.823 -2.247 7.972 1.00 0.00 N ATOM 704 CA ALA A 114 -4.408 -2.097 7.809 1.00 0.00 C ATOM 705 C ALA A 114 -3.804 -3.380 7.313 1.00 0.00 C ATOM 706 O ALA A 114 -4.200 -4.470 7.751 1.00 0.00 O ATOM 707 CB ALA A 114 -3.768 -1.688 9.120 1.00 0.00 C ATOM 0 H ALA A 114 -6.115 -3.152 8.341 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.222 -1.315 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.693 -1.578 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.190 -0.739 9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.960 -2.453 9.873 1.00 0.00 H new ATOM 713 N GLU A 115 -2.879 -3.273 6.398 1.00 0.00 N ATOM 714 CA GLU A 115 -2.213 -4.434 5.890 1.00 0.00 C ATOM 715 C GLU A 115 -0.795 -4.093 5.477 1.00 0.00 C ATOM 716 O GLU A 115 -0.454 -2.913 5.303 1.00 0.00 O ATOM 717 CB GLU A 115 -2.976 -5.092 4.725 1.00 0.00 C ATOM 718 CG GLU A 115 -2.894 -4.410 3.374 1.00 0.00 C ATOM 719 CD GLU A 115 -3.327 -5.366 2.285 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.531 -5.449 1.967 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.459 -6.108 1.775 1.00 0.00 O ATOM 0 H GLU A 115 -2.571 -2.390 5.990 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.183 -5.164 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.608 -6.112 4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.027 -5.162 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.529 -3.524 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.874 -4.073 3.189 1.00 0.00 H new ATOM 728 N VAL A 116 0.028 -5.110 5.378 1.00 0.00 N ATOM 729 CA VAL A 116 1.384 -4.975 4.921 1.00 0.00 C ATOM 730 C VAL A 116 1.400 -5.293 3.437 1.00 0.00 C ATOM 731 O VAL A 116 1.028 -6.402 3.016 1.00 0.00 O ATOM 732 CB VAL A 116 2.350 -5.942 5.666 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.795 -5.725 5.226 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.224 -5.780 7.171 1.00 0.00 C ATOM 0 H VAL A 116 -0.233 -6.067 5.617 1.00 0.00 H new ATOM 0 HA VAL A 116 1.727 -3.960 5.120 1.00 0.00 H new ATOM 0 HB VAL A 116 2.065 -6.961 5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.446 -6.414 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.880 -5.906 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.092 -4.700 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.909 -6.466 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.471 -4.755 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.202 -6.002 7.477 1.00 0.00 H new ATOM 744 N THR A 117 1.775 -4.344 2.659 1.00 0.00 N ATOM 745 CA THR A 117 1.790 -4.514 1.241 1.00 0.00 C ATOM 746 C THR A 117 3.078 -3.904 0.666 1.00 0.00 C ATOM 747 O THR A 117 3.574 -2.903 1.190 1.00 0.00 O ATOM 748 CB THR A 117 0.501 -3.905 0.592 1.00 0.00 C ATOM 749 OG1 THR A 117 0.385 -4.287 -0.789 1.00 0.00 O ATOM 750 CG2 THR A 117 0.487 -2.393 0.703 1.00 0.00 C ATOM 0 H THR A 117 2.081 -3.426 2.981 1.00 0.00 H new ATOM 0 HA THR A 117 1.784 -5.577 1.001 1.00 0.00 H new ATOM 0 HB THR A 117 -0.351 -4.304 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.429 -3.895 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.421 -2.003 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.514 -2.105 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.358 -1.983 0.192 1.00 0.00 H new ATOM 758 N PRO A 118 3.703 -4.553 -0.332 1.00 0.00 N ATOM 759 CA PRO A 118 4.926 -4.053 -0.946 1.00 0.00 C ATOM 760 C PRO A 118 4.726 -2.687 -1.590 1.00 0.00 C ATOM 761 O PRO A 118 3.650 -2.385 -2.094 1.00 0.00 O ATOM 762 CB PRO A 118 5.262 -5.105 -2.009 1.00 0.00 C ATOM 763 CG PRO A 118 3.989 -5.807 -2.263 1.00 0.00 C ATOM 764 CD PRO A 118 3.250 -5.800 -0.961 1.00 0.00 C ATOM 0 HA PRO A 118 5.720 -3.913 -0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.645 -4.640 -2.918 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.029 -5.794 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.414 -5.305 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.167 -6.826 -2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.170 -5.808 -1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.495 -6.671 -0.353 1.00 0.00 H new ATOM 772 N LEU A 119 5.776 -1.883 -1.580 1.00 0.00 N ATOM 773 CA LEU A 119 5.777 -0.529 -2.166 1.00 0.00 C ATOM 774 C LEU A 119 5.398 -0.570 -3.640 1.00 0.00 C ATOM 775 O LEU A 119 4.889 0.392 -4.185 1.00 0.00 O ATOM 776 CB LEU A 119 7.151 0.123 -2.009 1.00 0.00 C ATOM 777 CG LEU A 119 7.700 0.250 -0.585 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.075 0.891 -0.595 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.756 1.031 0.312 1.00 0.00 C ATOM 0 H LEU A 119 6.669 -2.144 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 119 5.035 0.063 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.867 -0.449 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.104 1.121 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 119 7.787 -0.757 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.446 0.972 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.758 0.277 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.010 1.885 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.180 1.100 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.616 2.033 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.794 0.521 0.359 1.00 0.00 H new ATOM 791 N LEU A 120 5.661 -1.707 -4.266 1.00 0.00 N ATOM 792 CA LEU A 120 5.339 -1.937 -5.668 1.00 0.00 C ATOM 793 C LEU A 120 3.818 -1.939 -5.868 1.00 0.00 C ATOM 794 O LEU A 120 3.306 -1.582 -6.931 1.00 0.00 O ATOM 795 CB LEU A 120 5.970 -3.272 -6.122 1.00 0.00 C ATOM 796 CG LEU A 120 5.271 -4.575 -5.702 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.252 -4.974 -6.749 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.280 -5.686 -5.471 1.00 0.00 C ATOM 0 H LEU A 120 6.108 -2.504 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 120 5.750 -1.133 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.031 -3.261 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.992 -3.304 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 120 4.753 -4.404 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.761 -5.898 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.508 -4.184 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.753 -5.127 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.758 -6.596 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.836 -5.869 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.971 -5.391 -4.682 1.00 0.00 H new ATOM 810 N ASN A 121 3.115 -2.327 -4.821 1.00 0.00 N ATOM 811 CA ASN A 121 1.668 -2.406 -4.833 1.00 0.00 C ATOM 812 C ASN A 121 1.061 -1.099 -4.470 1.00 0.00 C ATOM 813 O ASN A 121 -0.156 -0.924 -4.577 1.00 0.00 O ATOM 814 CB ASN A 121 1.136 -3.472 -3.878 1.00 0.00 C ATOM 815 CG ASN A 121 1.130 -4.862 -4.429 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.082 -5.072 -5.635 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.083 -5.816 -3.554 1.00 0.00 N ATOM 0 H ASN A 121 3.536 -2.598 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 121 1.388 -2.679 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.738 -3.459 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.119 -3.206 -3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.003 -6.786 -3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.126 -5.598 -2.559 1.00 0.00 H new ATOM 824 N LEU A 122 1.879 -0.179 -4.033 1.00 0.00 N ATOM 825 CA LEU A 122 1.386 1.098 -3.682 1.00 0.00 C ATOM 826 C LEU A 122 1.410 1.962 -4.893 1.00 0.00 C ATOM 827 O LEU A 122 2.409 2.040 -5.608 1.00 0.00 O ATOM 828 CB LEU A 122 2.209 1.705 -2.556 1.00 0.00 C ATOM 829 CG LEU A 122 2.182 0.955 -1.235 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.025 1.673 -0.206 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.759 0.814 -0.744 1.00 0.00 C ATOM 0 H LEU A 122 2.885 -0.303 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 122 0.362 1.012 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.244 1.779 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.856 2.722 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 122 2.598 -0.041 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.996 1.124 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.055 1.735 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.633 2.678 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.753 0.275 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.324 1.803 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.173 0.262 -1.479 1.00 0.00 H new ATOM 843 N LYS A 123 0.310 2.568 -5.141 1.00 0.00 N ATOM 844 CA LYS A 123 0.139 3.401 -6.278 1.00 0.00 C ATOM 845 C LYS A 123 -0.103 4.808 -5.790 1.00 0.00 C ATOM 846 O LYS A 123 -0.486 4.995 -4.635 1.00 0.00 O ATOM 847 CB LYS A 123 -1.054 2.912 -7.132 1.00 0.00 C ATOM 848 CG LYS A 123 -1.114 1.406 -7.360 1.00 0.00 C ATOM 849 CD LYS A 123 0.136 0.843 -8.025 1.00 0.00 C ATOM 850 CE LYS A 123 0.028 -0.668 -8.151 1.00 0.00 C ATOM 851 NZ LYS A 123 1.250 -1.287 -8.706 1.00 0.00 N ATOM 0 H LYS A 123 -0.517 2.500 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 123 1.029 3.368 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.979 3.228 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.014 3.409 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.263 0.907 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.981 1.174 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.265 1.289 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.017 1.104 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.176 -1.096 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.820 -0.915 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.995 -2.148 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.719 -0.616 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.897 -1.534 -7.930 1.00 0.00 H new ATOM 865 N PRO A 124 0.110 5.804 -6.621 1.00 0.00 N ATOM 866 CA PRO A 124 -0.193 7.164 -6.265 1.00 0.00 C ATOM 867 C PRO A 124 -1.704 7.391 -6.298 1.00 0.00 C ATOM 868 O PRO A 124 -2.418 6.774 -7.113 1.00 0.00 O ATOM 869 CB PRO A 124 0.522 8.012 -7.318 1.00 0.00 C ATOM 870 CG PRO A 124 0.879 7.084 -8.439 1.00 0.00 C ATOM 871 CD PRO A 124 0.649 5.672 -7.969 1.00 0.00 C ATOM 0 HA PRO A 124 0.134 7.419 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -0.122 8.817 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.415 8.478 -6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.270 7.297 -9.318 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.920 7.223 -8.731 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -0.048 5.147 -8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.577 5.101 -7.968 1.00 0.00 H new