USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 389 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 127 TYR OH : rot -147:sc= 1.32 USER MOD Set 1.2: A 136 GLN : amide:sc= -2.63 K(o=-1.3,f=-5.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -9:sc= 1.09 USER MOD Single : A 99 SER OG : rot 110:sc= 1.35 USER MOD Single : A 103 SER OG : rot 89:sc= 1.29 USER MOD Single : A 107 CYS SG : rot 100:sc= 1.18 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 160:sc= 0 USER MOD Single : A 115 SER OG : rot -6:sc= 0.927 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= -0.0124 (180deg=-0.149) USER MOD Single : A 122 THR OG1 : rot 159:sc= 0.462 USER MOD Single : A 123 CYS SG : rot -70:sc= -6.03! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot -122:sc= 0.264 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 139 SER OG : rot 136:sc= 1.29 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.901 3.394 -3.708 1.00 0.00 N ATOM 116 CA TRP A 92 -7.749 3.253 -4.570 1.00 0.00 C ATOM 117 C TRP A 92 -8.077 2.471 -5.817 1.00 0.00 C ATOM 118 O TRP A 92 -9.113 1.809 -5.886 1.00 0.00 O ATOM 119 CB TRP A 92 -6.640 2.537 -3.825 1.00 0.00 C ATOM 120 CG TRP A 92 -6.154 3.244 -2.603 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.619 3.087 -1.339 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.103 4.209 -2.530 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.932 3.894 -0.486 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.994 4.598 -1.189 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.246 4.778 -3.468 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.062 5.534 -0.760 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.322 5.700 -3.045 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.236 6.070 -1.700 1.00 0.00 C ATOM 0 HA TRP A 92 -7.432 4.254 -4.862 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.993 1.546 -3.539 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.799 2.392 -4.503 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.418 2.419 -1.052 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.091 3.963 0.519 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.307 4.499 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.995 5.825 0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.650 6.147 -3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.497 6.798 -1.399 1.00 0.00 H new ATOM 139 N LYS A 93 -7.205 2.562 -6.794 1.00 0.00 N ATOM 140 CA LYS A 93 -7.326 1.816 -8.025 1.00 0.00 C ATOM 141 C LYS A 93 -6.020 1.055 -8.247 1.00 0.00 C ATOM 142 O LYS A 93 -4.989 1.396 -7.660 1.00 0.00 O ATOM 143 CB LYS A 93 -7.574 2.767 -9.207 1.00 0.00 C ATOM 144 CG LYS A 93 -6.406 3.687 -9.483 1.00 0.00 C ATOM 145 CD LYS A 93 -6.719 4.714 -10.550 1.00 0.00 C ATOM 146 CE LYS A 93 -5.538 5.651 -10.753 1.00 0.00 C ATOM 147 NZ LYS A 93 -5.788 6.660 -11.805 1.00 0.00 N ATOM 0 H LYS A 93 -6.382 3.163 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.167 1.126 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.785 2.179 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.461 3.367 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.124 4.198 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.546 3.094 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.957 4.212 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.600 5.288 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.315 6.158 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.656 5.067 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.953 7.273 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.974 6.180 -12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.612 7.237 -11.543 1.00 0.00 H new ATOM 161 N VAL A 94 -6.074 0.018 -9.021 1.00 0.00 N ATOM 162 CA VAL A 94 -4.880 -0.733 -9.390 1.00 0.00 C ATOM 163 C VAL A 94 -3.969 0.172 -10.222 1.00 0.00 C ATOM 164 O VAL A 94 -4.437 0.842 -11.140 1.00 0.00 O ATOM 165 CB VAL A 94 -5.242 -2.021 -10.177 1.00 0.00 C ATOM 166 CG1 VAL A 94 -3.996 -2.767 -10.628 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.107 -2.925 -9.319 1.00 0.00 C ATOM 0 H VAL A 94 -6.938 -0.345 -9.423 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.361 -1.047 -8.484 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.796 -1.726 -11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.287 -3.663 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.401 -2.123 -11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.406 -3.050 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.357 -3.827 -9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.563 -3.198 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.023 -2.401 -9.047 1.00 0.00 H new ATOM 177 N GLY A 95 -2.702 0.224 -9.887 1.00 0.00 N ATOM 178 CA GLY A 95 -1.795 1.090 -10.598 1.00 0.00 C ATOM 179 C GLY A 95 -1.754 2.477 -9.993 1.00 0.00 C ATOM 180 O GLY A 95 -1.352 3.439 -10.645 1.00 0.00 O ATOM 0 H GLY A 95 -2.279 -0.318 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.794 0.658 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.100 1.158 -11.642 1.00 0.00 H new ATOM 184 N ASP A 96 -2.200 2.587 -8.764 1.00 0.00 N ATOM 185 CA ASP A 96 -2.168 3.857 -8.052 1.00 0.00 C ATOM 186 C ASP A 96 -0.986 3.801 -7.136 1.00 0.00 C ATOM 187 O ASP A 96 -0.764 2.768 -6.487 1.00 0.00 O ATOM 188 CB ASP A 96 -3.389 4.004 -7.164 1.00 0.00 C ATOM 189 CG ASP A 96 -3.978 5.413 -7.110 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.269 6.396 -7.420 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.179 5.566 -6.746 1.00 0.00 O ATOM 0 H ASP A 96 -2.592 1.813 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.131 4.678 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.160 3.317 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.124 3.698 -6.152 1.00 0.00 H new ATOM 196 N LYS A 97 -0.198 4.821 -7.110 1.00 0.00 N ATOM 197 CA LYS A 97 0.884 4.866 -6.176 1.00 0.00 C ATOM 198 C LYS A 97 0.412 5.284 -4.829 1.00 0.00 C ATOM 199 O LYS A 97 -0.524 6.083 -4.696 1.00 0.00 O ATOM 200 CB LYS A 97 2.010 5.756 -6.627 1.00 0.00 C ATOM 201 CG LYS A 97 2.595 5.308 -7.917 1.00 0.00 C ATOM 202 CD LYS A 97 4.016 5.745 -8.037 1.00 0.00 C ATOM 203 CE LYS A 97 4.639 5.123 -9.241 1.00 0.00 C ATOM 204 NZ LYS A 97 6.075 5.451 -9.355 1.00 0.00 N ATOM 0 H LYS A 97 -0.278 5.634 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 97 1.277 3.851 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.645 6.778 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.787 5.772 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.537 4.222 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.014 5.714 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.066 6.831 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.570 5.460 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.517 4.041 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.118 5.464 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.468 4.999 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.191 6.482 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.578 5.103 -8.514 1.00 0.00 H new ATOM 218 N CYS A 98 1.057 4.774 -3.854 1.00 0.00 N ATOM 219 CA CYS A 98 0.727 5.041 -2.494 1.00 0.00 C ATOM 220 C CYS A 98 1.964 4.833 -1.635 1.00 0.00 C ATOM 221 O CYS A 98 3.087 4.715 -2.156 1.00 0.00 O ATOM 222 CB CYS A 98 -0.402 4.089 -2.059 1.00 0.00 C ATOM 223 SG CYS A 98 -0.002 2.353 -2.267 1.00 0.00 S ATOM 0 H CYS A 98 1.850 4.143 -3.972 1.00 0.00 H new ATOM 0 HA CYS A 98 0.387 6.070 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.639 4.275 -1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.299 4.317 -2.634 1.00 0.00 H new ATOM 0 HG CYS A 98 1.105 2.240 -2.939 1.00 0.00 H new ATOM 229 N SER A 99 1.777 4.817 -0.368 1.00 0.00 N ATOM 230 CA SER A 99 2.808 4.485 0.542 1.00 0.00 C ATOM 231 C SER A 99 2.215 3.480 1.483 1.00 0.00 C ATOM 232 O SER A 99 1.013 3.558 1.802 1.00 0.00 O ATOM 233 CB SER A 99 3.285 5.690 1.312 1.00 0.00 C ATOM 234 OG SER A 99 3.509 6.805 0.454 1.00 0.00 O ATOM 0 H SER A 99 0.885 5.039 0.075 1.00 0.00 H new ATOM 0 HA SER A 99 3.676 4.095 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.546 5.955 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.207 5.444 1.839 1.00 0.00 H new ATOM 0 HG SER A 99 2.823 7.486 0.617 1.00 0.00 H new ATOM 240 N ALA A 100 3.000 2.567 1.907 1.00 0.00 N ATOM 241 CA ALA A 100 2.533 1.494 2.719 1.00 0.00 C ATOM 242 C ALA A 100 3.475 1.267 3.873 1.00 0.00 C ATOM 243 O ALA A 100 4.628 1.734 3.846 1.00 0.00 O ATOM 244 CB ALA A 100 2.391 0.248 1.869 1.00 0.00 C ATOM 0 H ALA A 100 3.999 2.536 1.702 1.00 0.00 H new ATOM 0 HA ALA A 100 1.557 1.744 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.034 -0.575 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.678 0.435 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.359 -0.013 1.441 1.00 0.00 H new ATOM 250 N ILE A 101 2.989 0.601 4.890 1.00 0.00 N ATOM 251 CA ILE A 101 3.789 0.284 6.041 1.00 0.00 C ATOM 252 C ILE A 101 4.399 -1.068 5.817 1.00 0.00 C ATOM 253 O ILE A 101 3.671 -2.071 5.682 1.00 0.00 O ATOM 254 CB ILE A 101 2.968 0.254 7.386 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.573 1.657 7.861 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.739 -0.473 8.502 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.726 2.454 8.455 1.00 0.00 C ATOM 0 H ILE A 101 2.028 0.264 4.941 1.00 0.00 H new ATOM 0 HA ILE A 101 4.540 1.067 6.149 1.00 0.00 H new ATOM 0 HB ILE A 101 2.054 -0.298 7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.157 2.211 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.783 1.569 8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.143 -0.474 9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.938 -1.500 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.683 0.040 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.367 3.435 8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.129 1.923 9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.508 2.576 7.706 1.00 0.00 H new ATOM 269 N TRP A 102 5.704 -1.104 5.756 1.00 0.00 N ATOM 270 CA TRP A 102 6.401 -2.332 5.573 1.00 0.00 C ATOM 271 C TRP A 102 6.221 -3.171 6.794 1.00 0.00 C ATOM 272 O TRP A 102 6.565 -2.750 7.868 1.00 0.00 O ATOM 273 CB TRP A 102 7.883 -2.092 5.349 1.00 0.00 C ATOM 274 CG TRP A 102 8.597 -3.308 4.837 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.049 -4.327 4.117 1.00 0.00 C ATOM 276 CD2 TRP A 102 9.977 -3.618 4.969 1.00 0.00 C ATOM 277 NE1 TRP A 102 8.982 -5.256 3.812 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.190 -4.844 4.307 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.053 -2.987 5.579 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.438 -5.442 4.240 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.292 -3.582 5.513 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.476 -4.797 4.849 1.00 0.00 C ATOM 0 H TRP A 102 6.304 -0.283 5.832 1.00 0.00 H new ATOM 0 HA TRP A 102 5.998 -2.836 4.694 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.011 -1.275 4.639 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.341 -1.775 6.286 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.010 -4.384 3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 102 8.814 -6.121 3.298 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.920 -2.048 6.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.584 -6.381 3.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.137 -3.101 5.983 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.462 -5.236 4.817 1.00 0.00 H new ATOM 293 N SER A 103 5.705 -4.345 6.628 1.00 0.00 N ATOM 294 CA SER A 103 5.480 -5.255 7.728 1.00 0.00 C ATOM 295 C SER A 103 6.744 -5.625 8.482 1.00 0.00 C ATOM 296 O SER A 103 6.695 -5.979 9.653 1.00 0.00 O ATOM 297 CB SER A 103 4.825 -6.490 7.209 1.00 0.00 C ATOM 298 OG SER A 103 3.428 -6.311 7.083 1.00 0.00 O ATOM 0 H SER A 103 5.421 -4.713 5.720 1.00 0.00 H new ATOM 0 HA SER A 103 4.839 -4.739 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.250 -6.751 6.240 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.029 -7.323 7.881 1.00 0.00 H new ATOM 0 HG SER A 103 3.223 -5.953 6.194 1.00 0.00 H new ATOM 304 N GLU A 104 7.854 -5.509 7.834 1.00 0.00 N ATOM 305 CA GLU A 104 9.082 -5.915 8.427 1.00 0.00 C ATOM 306 C GLU A 104 9.692 -4.842 9.292 1.00 0.00 C ATOM 307 O GLU A 104 10.165 -5.119 10.389 1.00 0.00 O ATOM 308 CB GLU A 104 10.038 -6.338 7.359 1.00 0.00 C ATOM 309 CG GLU A 104 9.516 -7.472 6.531 1.00 0.00 C ATOM 310 CD GLU A 104 9.284 -8.706 7.352 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.269 -9.419 7.647 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.131 -8.981 7.722 1.00 0.00 O ATOM 0 H GLU A 104 7.936 -5.134 6.889 1.00 0.00 H new ATOM 0 HA GLU A 104 8.868 -6.758 9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.251 -5.488 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.982 -6.633 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.583 -7.173 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.225 -7.695 5.733 1.00 0.00 H new ATOM 319 N ASP A 105 9.662 -3.613 8.834 1.00 0.00 N ATOM 320 CA ASP A 105 10.320 -2.562 9.605 1.00 0.00 C ATOM 321 C ASP A 105 9.296 -1.659 10.246 1.00 0.00 C ATOM 322 O ASP A 105 9.573 -0.968 11.224 1.00 0.00 O ATOM 323 CB ASP A 105 11.237 -1.752 8.697 1.00 0.00 C ATOM 324 CG ASP A 105 12.218 -0.909 9.457 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.223 -1.457 9.941 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.013 0.307 9.583 1.00 0.00 O ATOM 0 H ASP A 105 9.212 -3.314 7.969 1.00 0.00 H new ATOM 0 HA ASP A 105 10.915 -3.025 10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.781 -2.431 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.631 -1.109 8.059 1.00 0.00 H new ATOM 331 N GLY A 106 8.091 -1.716 9.724 1.00 0.00 N ATOM 332 CA GLY A 106 6.986 -0.918 10.246 1.00 0.00 C ATOM 333 C GLY A 106 7.009 0.512 9.743 1.00 0.00 C ATOM 334 O GLY A 106 6.248 1.360 10.218 1.00 0.00 O ATOM 0 H GLY A 106 7.843 -2.309 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.042 -1.383 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.027 -0.917 11.335 1.00 0.00 H new ATOM 338 N CYS A 107 7.903 0.794 8.824 1.00 0.00 N ATOM 339 CA CYS A 107 8.041 2.122 8.289 1.00 0.00 C ATOM 340 C CYS A 107 7.256 2.344 7.010 1.00 0.00 C ATOM 341 O CYS A 107 6.854 1.383 6.347 1.00 0.00 O ATOM 342 CB CYS A 107 9.496 2.488 8.132 1.00 0.00 C ATOM 343 SG CYS A 107 10.366 2.659 9.694 1.00 0.00 S ATOM 0 H CYS A 107 8.550 0.111 8.430 1.00 0.00 H new ATOM 0 HA CYS A 107 7.596 2.799 9.018 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.991 1.725 7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.569 3.425 7.580 1.00 0.00 H new ATOM 0 HG CYS A 107 11.041 1.575 9.935 1.00 0.00 H new ATOM 349 N ILE A 108 7.042 3.606 6.683 1.00 0.00 N ATOM 350 CA ILE A 108 6.388 4.007 5.450 1.00 0.00 C ATOM 351 C ILE A 108 7.364 3.912 4.298 1.00 0.00 C ATOM 352 O ILE A 108 8.480 4.443 4.367 1.00 0.00 O ATOM 353 CB ILE A 108 5.888 5.478 5.502 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.886 5.692 6.620 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.257 5.858 4.173 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.576 5.003 6.395 1.00 0.00 C ATOM 0 H ILE A 108 7.321 4.390 7.273 1.00 0.00 H new ATOM 0 HA ILE A 108 5.537 3.339 5.317 1.00 0.00 H new ATOM 0 HB ILE A 108 6.752 6.114 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.318 5.336 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.709 6.761 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.909 6.890 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.996 5.758 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.413 5.199 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.911 5.202 7.236 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.122 5.376 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.740 3.929 6.308 1.00 0.00 H new ATOM 368 N TYR A 109 6.955 3.241 3.278 1.00 0.00 N ATOM 369 CA TYR A 109 7.713 3.129 2.063 1.00 0.00 C ATOM 370 C TYR A 109 6.801 3.330 0.874 1.00 0.00 C ATOM 371 O TYR A 109 5.607 3.017 0.956 1.00 0.00 O ATOM 372 CB TYR A 109 8.394 1.780 1.962 1.00 0.00 C ATOM 373 CG TYR A 109 9.526 1.581 2.927 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.809 1.954 2.584 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.315 0.992 4.155 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.860 1.744 3.443 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.354 0.781 5.029 1.00 0.00 C ATOM 378 CZ TYR A 109 11.629 1.158 4.667 1.00 0.00 C ATOM 379 OH TYR A 109 12.675 0.938 5.521 1.00 0.00 O ATOM 0 H TYR A 109 6.066 2.741 3.256 1.00 0.00 H new ATOM 0 HA TYR A 109 8.485 3.899 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.652 0.999 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.771 1.653 0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.990 2.418 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.316 0.691 4.435 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.860 2.037 3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.173 0.324 5.991 1.00 0.00 H new ATOM 0 HH TYR A 109 12.344 0.518 6.342 1.00 0.00 H new ATOM 389 N PRO A 110 7.325 3.882 -0.226 1.00 0.00 N ATOM 390 CA PRO A 110 6.544 4.100 -1.440 1.00 0.00 C ATOM 391 C PRO A 110 6.250 2.780 -2.156 1.00 0.00 C ATOM 392 O PRO A 110 7.158 1.965 -2.404 1.00 0.00 O ATOM 393 CB PRO A 110 7.454 4.981 -2.298 1.00 0.00 C ATOM 394 CG PRO A 110 8.834 4.661 -1.837 1.00 0.00 C ATOM 395 CD PRO A 110 8.728 4.329 -0.380 1.00 0.00 C ATOM 0 HA PRO A 110 5.573 4.552 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.330 4.763 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.226 6.038 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.246 3.822 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.502 5.508 -1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.432 3.547 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.944 5.195 0.245 1.00 0.00 H new ATOM 403 N ALA A 111 5.011 2.569 -2.486 1.00 0.00 N ATOM 404 CA ALA A 111 4.601 1.362 -3.127 1.00 0.00 C ATOM 405 C ALA A 111 3.452 1.634 -4.056 1.00 0.00 C ATOM 406 O ALA A 111 2.665 2.544 -3.827 1.00 0.00 O ATOM 407 CB ALA A 111 4.196 0.335 -2.097 1.00 0.00 C ATOM 0 H ALA A 111 4.256 3.233 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 111 5.440 0.972 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.885 -0.581 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.042 0.122 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.368 0.722 -1.503 1.00 0.00 H new ATOM 413 N THR A 112 3.336 0.866 -5.077 1.00 0.00 N ATOM 414 CA THR A 112 2.263 1.057 -5.997 1.00 0.00 C ATOM 415 C THR A 112 1.325 -0.135 -5.892 1.00 0.00 C ATOM 416 O THR A 112 1.771 -1.253 -5.624 1.00 0.00 O ATOM 417 CB THR A 112 2.812 1.187 -7.426 1.00 0.00 C ATOM 418 OG1 THR A 112 3.911 2.120 -7.427 1.00 0.00 O ATOM 419 CG2 THR A 112 1.737 1.703 -8.366 1.00 0.00 C ATOM 0 H THR A 112 3.968 0.098 -5.301 1.00 0.00 H new ATOM 0 HA THR A 112 1.722 1.973 -5.760 1.00 0.00 H new ATOM 0 HB THR A 112 3.142 0.205 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.461 1.976 -8.225 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.145 1.788 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.896 1.010 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.397 2.682 -8.028 1.00 0.00 H new ATOM 427 N ILE A 113 0.056 0.094 -6.101 1.00 0.00 N ATOM 428 CA ILE A 113 -0.931 -0.941 -5.970 1.00 0.00 C ATOM 429 C ILE A 113 -0.919 -1.863 -7.173 1.00 0.00 C ATOM 430 O ILE A 113 -1.136 -1.429 -8.305 1.00 0.00 O ATOM 431 CB ILE A 113 -2.313 -0.324 -5.802 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.296 0.605 -4.599 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.353 -1.414 -5.622 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.520 1.436 -4.472 1.00 0.00 C ATOM 0 H ILE A 113 -0.321 1.004 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.689 -1.531 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.573 0.247 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.175 0.011 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.428 1.260 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.337 -0.961 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.356 -2.063 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.114 -2.002 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.437 2.074 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.632 2.057 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.391 0.788 -4.370 1.00 0.00 H new ATOM 446 N ALA A 114 -0.680 -3.118 -6.919 1.00 0.00 N ATOM 447 CA ALA A 114 -0.611 -4.120 -7.952 1.00 0.00 C ATOM 448 C ALA A 114 -1.962 -4.772 -8.153 1.00 0.00 C ATOM 449 O ALA A 114 -2.300 -5.179 -9.258 1.00 0.00 O ATOM 450 CB ALA A 114 0.428 -5.165 -7.597 1.00 0.00 C ATOM 0 H ALA A 114 -0.525 -3.482 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.320 -3.636 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.471 -5.917 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.403 -4.689 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.157 -5.642 -6.655 1.00 0.00 H new ATOM 456 N SER A 115 -2.736 -4.878 -7.084 1.00 0.00 N ATOM 457 CA SER A 115 -4.066 -5.492 -7.128 1.00 0.00 C ATOM 458 C SER A 115 -4.843 -5.075 -5.895 1.00 0.00 C ATOM 459 O SER A 115 -4.234 -4.781 -4.877 1.00 0.00 O ATOM 460 CB SER A 115 -3.963 -7.028 -7.159 1.00 0.00 C ATOM 461 OG SER A 115 -3.289 -7.499 -8.329 1.00 0.00 O ATOM 0 H SER A 115 -2.466 -4.543 -6.159 1.00 0.00 H new ATOM 0 HA SER A 115 -4.574 -5.158 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.432 -7.373 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.963 -7.459 -7.120 1.00 0.00 H new ATOM 0 HG SER A 115 -3.118 -6.747 -8.933 1.00 0.00 H new ATOM 467 N ILE A 116 -6.154 -5.018 -5.992 1.00 0.00 N ATOM 468 CA ILE A 116 -7.005 -4.667 -4.878 1.00 0.00 C ATOM 469 C ILE A 116 -8.092 -5.715 -4.678 1.00 0.00 C ATOM 470 O ILE A 116 -8.703 -6.185 -5.640 1.00 0.00 O ATOM 471 CB ILE A 116 -7.684 -3.304 -5.125 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.653 -2.197 -5.239 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.694 -2.987 -4.034 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.228 -0.906 -5.684 1.00 0.00 C ATOM 0 H ILE A 116 -6.662 -5.216 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.377 -4.614 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.221 -3.369 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.170 -2.058 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.877 -2.503 -5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.156 -2.020 -4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.463 -3.760 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.189 -2.953 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.438 -0.157 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.686 -1.031 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.984 -0.579 -4.970 1.00 0.00 H new ATOM 486 N ASP A 117 -8.314 -6.085 -3.449 1.00 0.00 N ATOM 487 CA ASP A 117 -9.394 -6.958 -3.088 1.00 0.00 C ATOM 488 C ASP A 117 -10.364 -6.130 -2.277 1.00 0.00 C ATOM 489 O ASP A 117 -10.155 -5.902 -1.086 1.00 0.00 O ATOM 490 CB ASP A 117 -8.932 -8.152 -2.257 1.00 0.00 C ATOM 491 CG ASP A 117 -9.977 -9.244 -2.193 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.101 -9.004 -1.704 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.689 -10.372 -2.622 1.00 0.00 O ATOM 0 H ASP A 117 -7.742 -5.785 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.845 -7.366 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.014 -8.555 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.695 -7.819 -1.247 1.00 0.00 H new ATOM 498 N PHE A 118 -11.394 -5.653 -2.920 1.00 0.00 N ATOM 499 CA PHE A 118 -12.358 -4.760 -2.294 1.00 0.00 C ATOM 500 C PHE A 118 -13.162 -5.478 -1.217 1.00 0.00 C ATOM 501 O PHE A 118 -13.656 -4.856 -0.270 1.00 0.00 O ATOM 502 CB PHE A 118 -13.291 -4.157 -3.344 1.00 0.00 C ATOM 503 CG PHE A 118 -12.586 -3.356 -4.413 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.201 -2.041 -4.181 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.323 -3.915 -5.657 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.567 -1.306 -5.168 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.687 -3.185 -6.645 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.310 -1.878 -6.401 1.00 0.00 C ATOM 0 H PHE A 118 -11.598 -5.867 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.802 -3.954 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.852 -4.961 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.016 -3.515 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.398 -1.588 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.619 -4.934 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.273 -0.285 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.485 -3.636 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.816 -1.304 -7.171 1.00 0.00 H new ATOM 518 N LYS A 119 -13.245 -6.791 -1.340 1.00 0.00 N ATOM 519 CA LYS A 119 -13.987 -7.604 -0.405 1.00 0.00 C ATOM 520 C LYS A 119 -13.245 -7.708 0.912 1.00 0.00 C ATOM 521 O LYS A 119 -13.853 -7.738 1.974 1.00 0.00 O ATOM 522 CB LYS A 119 -14.226 -8.985 -0.986 1.00 0.00 C ATOM 523 CG LYS A 119 -15.087 -9.003 -2.241 1.00 0.00 C ATOM 524 CD LYS A 119 -16.531 -8.570 -1.978 1.00 0.00 C ATOM 525 CE LYS A 119 -17.219 -9.463 -0.948 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.188 -10.891 -1.331 1.00 0.00 N ATOM 0 H LYS A 119 -12.799 -7.319 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.951 -7.130 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.263 -9.440 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.700 -9.607 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.645 -8.343 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.085 -10.008 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.542 -7.538 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.093 -8.595 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.733 -9.338 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.254 -9.144 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.794 -11.437 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.536 -10.997 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.212 -11.245 -1.272 1.00 0.00 H new ATOM 540 N ARG A 120 -11.927 -7.773 0.846 1.00 0.00 N ATOM 541 CA ARG A 120 -11.124 -7.812 2.069 1.00 0.00 C ATOM 542 C ARG A 120 -10.761 -6.396 2.486 1.00 0.00 C ATOM 543 O ARG A 120 -10.247 -6.174 3.595 1.00 0.00 O ATOM 544 CB ARG A 120 -9.806 -8.526 1.829 1.00 0.00 C ATOM 545 CG ARG A 120 -9.867 -9.926 1.285 1.00 0.00 C ATOM 546 CD ARG A 120 -8.448 -10.413 1.043 1.00 0.00 C ATOM 547 NE ARG A 120 -8.386 -11.719 0.398 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.261 -12.285 -0.051 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.095 -11.663 0.083 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.300 -13.473 -0.637 1.00 0.00 N ATOM 0 H ARG A 120 -11.392 -7.800 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.713 -8.327 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.216 -7.922 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.262 -8.555 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.378 -10.583 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.438 -9.947 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.923 -9.685 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.921 -10.461 1.996 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.258 -12.235 0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.054 -10.748 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.241 -12.101 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.190 -13.959 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.440 -13.902 -0.978 1.00 0.00 H new ATOM 564 N GLU A 121 -11.067 -5.448 1.594 1.00 0.00 N ATOM 565 CA GLU A 121 -10.679 -4.043 1.712 1.00 0.00 C ATOM 566 C GLU A 121 -9.139 -3.959 1.762 1.00 0.00 C ATOM 567 O GLU A 121 -8.555 -3.041 2.331 1.00 0.00 O ATOM 568 CB GLU A 121 -11.305 -3.389 2.950 1.00 0.00 C ATOM 569 CG GLU A 121 -11.224 -1.863 2.959 1.00 0.00 C ATOM 570 CD GLU A 121 -11.705 -1.268 4.240 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.924 -1.104 4.411 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.864 -0.944 5.107 1.00 0.00 O ATOM 0 H GLU A 121 -11.605 -5.644 0.750 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.049 -3.495 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.352 -3.687 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.808 -3.774 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.192 -1.557 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.816 -1.467 2.134 1.00 0.00 H new ATOM 579 N THR A 122 -8.493 -4.898 1.128 1.00 0.00 N ATOM 580 CA THR A 122 -7.071 -4.939 1.123 1.00 0.00 C ATOM 581 C THR A 122 -6.555 -4.894 -0.298 1.00 0.00 C ATOM 582 O THR A 122 -7.298 -5.106 -1.236 1.00 0.00 O ATOM 583 CB THR A 122 -6.514 -6.179 1.861 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.021 -7.381 1.270 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.878 -6.161 3.337 1.00 0.00 C ATOM 0 H THR A 122 -8.942 -5.650 0.605 1.00 0.00 H new ATOM 0 HA THR A 122 -6.719 -4.061 1.665 1.00 0.00 H new ATOM 0 HB THR A 122 -5.428 -6.150 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.430 -8.130 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.470 -7.047 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.463 -5.268 3.803 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.963 -6.155 3.444 1.00 0.00 H new ATOM 593 N CYS A 123 -5.324 -4.572 -0.451 1.00 0.00 N ATOM 594 CA CYS A 123 -4.703 -4.491 -1.725 1.00 0.00 C ATOM 595 C CYS A 123 -3.253 -4.851 -1.614 1.00 0.00 C ATOM 596 O CYS A 123 -2.660 -4.698 -0.562 1.00 0.00 O ATOM 597 CB CYS A 123 -4.873 -3.098 -2.272 1.00 0.00 C ATOM 598 SG CYS A 123 -4.473 -1.827 -1.076 1.00 0.00 S ATOM 0 H CYS A 123 -4.701 -4.351 0.326 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.173 -5.197 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.237 -2.977 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.903 -2.966 -2.604 1.00 0.00 H new ATOM 0 HG CYS A 123 -5.381 -1.806 -0.146 1.00 0.00 H new ATOM 604 N VAL A 124 -2.702 -5.324 -2.677 1.00 0.00 N ATOM 605 CA VAL A 124 -1.322 -5.700 -2.716 1.00 0.00 C ATOM 606 C VAL A 124 -0.538 -4.561 -3.309 1.00 0.00 C ATOM 607 O VAL A 124 -0.905 -4.039 -4.376 1.00 0.00 O ATOM 608 CB VAL A 124 -1.109 -6.975 -3.566 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.357 -7.390 -3.581 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.981 -8.106 -3.049 1.00 0.00 C ATOM 0 H VAL A 124 -3.198 -5.464 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.984 -5.916 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.401 -6.750 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.475 -8.289 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.958 -6.586 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.688 -7.593 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.820 -8.996 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.720 -8.322 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -3.029 -7.812 -3.106 1.00 0.00 H new ATOM 620 N VAL A 125 0.515 -4.177 -2.656 1.00 0.00 N ATOM 621 CA VAL A 125 1.332 -3.101 -3.113 1.00 0.00 C ATOM 622 C VAL A 125 2.728 -3.612 -3.374 1.00 0.00 C ATOM 623 O VAL A 125 3.194 -4.553 -2.721 1.00 0.00 O ATOM 624 CB VAL A 125 1.400 -1.950 -2.063 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.013 -1.411 -1.739 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.126 -2.402 -0.789 1.00 0.00 C ATOM 0 H VAL A 125 0.832 -4.605 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 125 0.891 -2.705 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 125 1.976 -1.137 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.096 -0.610 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.448 -1.023 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.603 -2.213 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.157 -1.578 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.594 -3.244 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.143 -2.705 -1.038 1.00 0.00 H new ATOM 636 N VAL A 126 3.355 -3.049 -4.358 1.00 0.00 N ATOM 637 CA VAL A 126 4.706 -3.369 -4.685 1.00 0.00 C ATOM 638 C VAL A 126 5.563 -2.188 -4.326 1.00 0.00 C ATOM 639 O VAL A 126 5.382 -1.096 -4.877 1.00 0.00 O ATOM 640 CB VAL A 126 4.896 -3.685 -6.186 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.367 -3.968 -6.480 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.041 -4.868 -6.603 1.00 0.00 C ATOM 0 H VAL A 126 2.936 -2.344 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 126 4.987 -4.262 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 126 4.579 -2.816 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.490 -4.190 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.965 -3.094 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.698 -4.823 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.192 -5.071 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.325 -5.745 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.991 -4.639 -6.424 1.00 0.00 H new ATOM 652 N TYR A 127 6.472 -2.398 -3.422 1.00 0.00 N ATOM 653 CA TYR A 127 7.362 -1.366 -2.966 1.00 0.00 C ATOM 654 C TYR A 127 8.346 -0.993 -4.044 1.00 0.00 C ATOM 655 O TYR A 127 9.138 -1.839 -4.520 1.00 0.00 O ATOM 656 CB TYR A 127 8.080 -1.799 -1.710 1.00 0.00 C ATOM 657 CG TYR A 127 7.160 -2.014 -0.542 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.738 -0.937 0.214 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.709 -3.285 -0.190 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.904 -1.106 1.285 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.873 -3.460 0.871 1.00 0.00 C ATOM 662 CZ TYR A 127 5.470 -2.362 1.614 1.00 0.00 C ATOM 663 OH TYR A 127 4.621 -2.515 2.677 1.00 0.00 O ATOM 0 H TYR A 127 6.621 -3.302 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 127 6.768 -0.483 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.623 -2.723 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.821 -1.045 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.073 0.056 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.026 -4.142 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.590 -0.253 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.526 -4.449 1.132 1.00 0.00 H new ATOM 0 HH TYR A 127 4.798 -3.373 3.116 1.00 0.00 H new ATOM 673 N THR A 128 8.283 0.252 -4.424 1.00 0.00 N ATOM 674 CA THR A 128 9.077 0.801 -5.479 1.00 0.00 C ATOM 675 C THR A 128 10.567 0.709 -5.158 1.00 0.00 C ATOM 676 O THR A 128 11.000 1.029 -4.047 1.00 0.00 O ATOM 677 CB THR A 128 8.677 2.269 -5.707 1.00 0.00 C ATOM 678 OG1 THR A 128 7.250 2.347 -5.938 1.00 0.00 O ATOM 679 CG2 THR A 128 9.418 2.837 -6.900 1.00 0.00 C ATOM 0 H THR A 128 7.657 0.932 -3.992 1.00 0.00 H new ATOM 0 HA THR A 128 8.895 0.223 -6.385 1.00 0.00 H new ATOM 0 HB THR A 128 8.939 2.850 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.992 3.282 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.125 3.876 -7.049 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.492 2.785 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.171 2.259 -7.791 1.00 0.00 H new ATOM 687 N GLY A 129 11.331 0.224 -6.114 1.00 0.00 N ATOM 688 CA GLY A 129 12.758 0.121 -5.962 1.00 0.00 C ATOM 689 C GLY A 129 13.173 -1.187 -5.341 1.00 0.00 C ATOM 690 O GLY A 129 14.302 -1.646 -5.534 1.00 0.00 O ATOM 0 H GLY A 129 10.978 -0.107 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.234 0.225 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.116 0.944 -5.344 1.00 0.00 H new ATOM 694 N TYR A 130 12.270 -1.806 -4.620 1.00 0.00 N ATOM 695 CA TYR A 130 12.583 -3.041 -3.931 1.00 0.00 C ATOM 696 C TYR A 130 12.040 -4.226 -4.681 1.00 0.00 C ATOM 697 O TYR A 130 12.734 -5.220 -4.875 1.00 0.00 O ATOM 698 CB TYR A 130 12.021 -3.030 -2.520 1.00 0.00 C ATOM 699 CG TYR A 130 12.513 -1.888 -1.681 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.785 -1.901 -1.144 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.702 -0.799 -1.417 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.237 -0.865 -0.367 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.141 0.241 -0.640 1.00 0.00 C ATOM 704 CZ TYR A 130 13.408 0.205 -0.115 1.00 0.00 C ATOM 705 OH TYR A 130 13.850 1.247 0.668 1.00 0.00 O ATOM 0 H TYR A 130 11.313 -1.478 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 130 13.669 -3.123 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.933 -2.988 -2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.280 -3.968 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.435 -2.741 -1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.705 -0.768 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.235 -0.888 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.494 1.083 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 130 13.247 1.361 1.432 1.00 0.00 H new ATOM 715 N GLY A 131 10.796 -4.127 -5.093 1.00 0.00 N ATOM 716 CA GLY A 131 10.176 -5.207 -5.817 1.00 0.00 C ATOM 717 C GLY A 131 9.406 -6.124 -4.905 1.00 0.00 C ATOM 718 O GLY A 131 8.925 -7.171 -5.329 1.00 0.00 O ATOM 0 H GLY A 131 10.199 -3.314 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.505 -4.799 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.941 -5.777 -6.344 1.00 0.00 H new ATOM 722 N ASN A 132 9.300 -5.743 -3.656 1.00 0.00 N ATOM 723 CA ASN A 132 8.539 -6.525 -2.693 1.00 0.00 C ATOM 724 C ASN A 132 7.087 -6.237 -2.849 1.00 0.00 C ATOM 725 O ASN A 132 6.712 -5.135 -3.231 1.00 0.00 O ATOM 726 CB ASN A 132 8.898 -6.204 -1.258 1.00 0.00 C ATOM 727 CG ASN A 132 10.175 -6.808 -0.735 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.145 -7.036 -1.459 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.186 -7.026 0.554 1.00 0.00 N ATOM 0 H ASN A 132 9.728 -4.899 -3.276 1.00 0.00 H new ATOM 0 HA ASN A 132 8.778 -7.569 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.966 -5.121 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.078 -6.533 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.023 -7.401 1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.358 -6.821 1.113 1.00 0.00 H new ATOM 736 N ARG A 133 6.277 -7.186 -2.522 1.00 0.00 N ATOM 737 CA ARG A 133 4.865 -7.019 -2.605 1.00 0.00 C ATOM 738 C ARG A 133 4.216 -7.575 -1.365 1.00 0.00 C ATOM 739 O ARG A 133 4.624 -8.624 -0.864 1.00 0.00 O ATOM 740 CB ARG A 133 4.305 -7.627 -3.924 1.00 0.00 C ATOM 741 CG ARG A 133 4.408 -9.150 -4.103 1.00 0.00 C ATOM 742 CD ARG A 133 3.227 -9.889 -3.471 1.00 0.00 C ATOM 743 NE ARG A 133 3.219 -11.314 -3.805 1.00 0.00 N ATOM 744 CZ ARG A 133 2.116 -12.072 -3.918 1.00 0.00 C ATOM 745 NH1 ARG A 133 0.920 -11.575 -3.599 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.220 -13.328 -4.314 1.00 0.00 N ATOM 0 H ARG A 133 6.576 -8.102 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 133 4.622 -5.957 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.254 -7.349 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.823 -7.154 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.455 -9.386 -5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.337 -9.504 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.266 -9.772 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.295 -9.434 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 133 4.120 -11.766 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.839 -10.614 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.086 -12.156 -3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.136 -13.720 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.384 -13.906 -4.401 1.00 0.00 H new ATOM 760 N GLU A 134 3.271 -6.865 -0.839 1.00 0.00 N ATOM 761 CA GLU A 134 2.562 -7.302 0.333 1.00 0.00 C ATOM 762 C GLU A 134 1.190 -6.689 0.340 1.00 0.00 C ATOM 763 O GLU A 134 0.938 -5.721 -0.387 1.00 0.00 O ATOM 764 CB GLU A 134 3.305 -7.045 1.646 1.00 0.00 C ATOM 765 CG GLU A 134 3.126 -5.686 2.232 1.00 0.00 C ATOM 766 CD GLU A 134 3.745 -5.582 3.597 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.229 -6.208 4.527 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.762 -4.905 3.769 1.00 0.00 O ATOM 0 H GLU A 134 2.964 -5.964 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 134 2.481 -8.387 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 134 2.978 -7.783 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.369 -7.212 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.574 -4.943 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.063 -5.455 2.296 1.00 0.00 H new ATOM 775 N GLU A 135 0.305 -7.292 1.063 1.00 0.00 N ATOM 776 CA GLU A 135 -1.050 -6.871 1.107 1.00 0.00 C ATOM 777 C GLU A 135 -1.276 -5.930 2.300 1.00 0.00 C ATOM 778 O GLU A 135 -0.860 -6.205 3.431 1.00 0.00 O ATOM 779 CB GLU A 135 -1.941 -8.089 1.192 1.00 0.00 C ATOM 780 CG GLU A 135 -3.346 -7.866 0.712 1.00 0.00 C ATOM 781 CD GLU A 135 -4.123 -9.152 0.618 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.694 -10.069 -0.132 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.172 -9.291 1.288 1.00 0.00 O ATOM 0 H GLU A 135 0.509 -8.103 1.647 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.296 -6.317 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.494 -8.893 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.974 -8.428 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.857 -7.183 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.323 -7.385 -0.266 1.00 0.00 H new ATOM 790 N GLN A 136 -1.918 -4.851 2.011 1.00 0.00 N ATOM 791 CA GLN A 136 -2.249 -3.774 2.939 1.00 0.00 C ATOM 792 C GLN A 136 -3.709 -3.510 2.853 1.00 0.00 C ATOM 793 O GLN A 136 -4.346 -3.934 1.922 1.00 0.00 O ATOM 794 CB GLN A 136 -1.582 -2.461 2.568 1.00 0.00 C ATOM 795 CG GLN A 136 -0.266 -2.113 3.213 1.00 0.00 C ATOM 796 CD GLN A 136 0.880 -2.953 2.756 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.843 -3.524 1.696 1.00 0.00 O ATOM 798 NE2 GLN A 136 1.960 -2.901 3.474 1.00 0.00 N ATOM 0 H GLN A 136 -2.256 -4.666 1.067 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.916 -4.094 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.432 -2.459 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.284 -1.658 2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.039 -1.067 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.366 -2.212 4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.955 -2.408 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.813 -3.353 3.145 1.00 0.00 H new ATOM 807 N ASN A 137 -4.231 -2.803 3.797 1.00 0.00 N ATOM 808 CA ASN A 137 -5.641 -2.431 3.759 1.00 0.00 C ATOM 809 C ASN A 137 -5.757 -1.146 2.981 1.00 0.00 C ATOM 810 O ASN A 137 -4.870 -0.306 3.063 1.00 0.00 O ATOM 811 CB ASN A 137 -6.232 -2.202 5.162 1.00 0.00 C ATOM 812 CG ASN A 137 -6.080 -3.377 6.109 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.930 -4.254 6.174 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.017 -3.383 6.872 1.00 0.00 N ATOM 0 H ASN A 137 -3.720 -2.462 4.611 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.195 -3.249 3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.753 -1.330 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.292 -1.967 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.878 -4.135 7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.327 -2.636 6.792 1.00 0.00 H new ATOM 821 N LEU A 138 -6.835 -0.985 2.238 1.00 0.00 N ATOM 822 CA LEU A 138 -7.088 0.234 1.448 1.00 0.00 C ATOM 823 C LEU A 138 -7.104 1.457 2.353 1.00 0.00 C ATOM 824 O LEU A 138 -6.592 2.518 2.009 1.00 0.00 O ATOM 825 CB LEU A 138 -8.441 0.123 0.742 1.00 0.00 C ATOM 826 CG LEU A 138 -8.577 -0.994 -0.283 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.024 -1.150 -0.695 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.730 -0.698 -1.497 1.00 0.00 C ATOM 0 H LEU A 138 -7.569 -1.689 2.156 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.292 0.339 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.212 -0.012 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.646 1.071 0.244 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.233 -1.924 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.109 -1.952 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.627 -1.393 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.380 -0.218 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.837 -1.505 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.055 0.240 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.685 -0.614 -1.200 1.00 0.00 H new ATOM 840 N SER A 139 -7.667 1.279 3.518 1.00 0.00 N ATOM 841 CA SER A 139 -7.793 2.287 4.479 1.00 0.00 C ATOM 842 C SER A 139 -6.461 2.572 5.181 1.00 0.00 C ATOM 843 O SER A 139 -6.248 3.657 5.704 1.00 0.00 O ATOM 844 CB SER A 139 -8.810 1.791 5.437 1.00 0.00 C ATOM 845 OG SER A 139 -10.038 1.544 4.760 1.00 0.00 O ATOM 0 H SER A 139 -8.059 0.385 3.814 1.00 0.00 H new ATOM 0 HA SER A 139 -8.090 3.233 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.457 0.876 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.963 2.524 6.229 1.00 0.00 H new ATOM 0 HG SER A 139 -10.410 0.688 5.059 1.00 0.00 H new ATOM 851 N ASP A 140 -5.579 1.601 5.152 1.00 0.00 N ATOM 852 CA ASP A 140 -4.268 1.696 5.794 1.00 0.00 C ATOM 853 C ASP A 140 -3.220 2.268 4.873 1.00 0.00 C ATOM 854 O ASP A 140 -2.111 2.580 5.315 1.00 0.00 O ATOM 855 CB ASP A 140 -3.800 0.341 6.311 1.00 0.00 C ATOM 856 CG ASP A 140 -4.342 -0.015 7.674 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.445 -0.563 7.778 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.654 0.240 8.687 1.00 0.00 O ATOM 0 H ASP A 140 -5.742 0.711 4.681 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.393 2.377 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.097 -0.430 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.711 0.335 6.351 1.00 0.00 H new ATOM 863 N LEU A 141 -3.536 2.348 3.600 1.00 0.00 N ATOM 864 CA LEU A 141 -2.640 2.948 2.627 1.00 0.00 C ATOM 865 C LEU A 141 -2.523 4.431 2.854 1.00 0.00 C ATOM 866 O LEU A 141 -3.482 5.097 3.281 1.00 0.00 O ATOM 867 CB LEU A 141 -3.098 2.715 1.191 1.00 0.00 C ATOM 868 CG LEU A 141 -3.155 1.286 0.692 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.525 1.275 -0.778 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.831 0.603 0.904 1.00 0.00 C ATOM 0 H LEU A 141 -4.413 2.003 3.209 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.673 2.465 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.092 3.148 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.433 3.274 0.532 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.914 0.742 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.566 0.246 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.500 1.744 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.776 1.827 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.888 -0.423 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.054 1.138 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.590 0.598 1.967 1.00 0.00 H new ATOM 882 N LEU A 142 -1.366 4.949 2.579 1.00 0.00 N ATOM 883 CA LEU A 142 -1.124 6.343 2.744 1.00 0.00 C ATOM 884 C LEU A 142 -0.846 6.973 1.412 1.00 0.00 C ATOM 885 O LEU A 142 -0.560 6.274 0.430 1.00 0.00 O ATOM 886 CB LEU A 142 0.042 6.625 3.700 1.00 0.00 C ATOM 887 CG LEU A 142 -0.080 6.103 5.130 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.295 4.627 5.226 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.739 6.951 6.078 1.00 0.00 C ATOM 0 H LEU A 142 -0.567 4.417 2.235 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.022 6.777 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.946 6.201 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.186 7.704 3.747 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.126 6.181 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.196 4.293 6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.368 4.041 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.326 4.491 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.639 6.563 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.787 6.921 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.382 7.980 6.046 1.00 0.00 H new ATOM 901 N SER A 143 -0.908 8.276 1.391 1.00 0.00 N ATOM 902 CA SER A 143 -0.666 9.057 0.216 1.00 0.00 C ATOM 903 C SER A 143 0.806 8.874 -0.221 1.00 0.00 C ATOM 904 O SER A 143 1.712 8.813 0.631 1.00 0.00 O ATOM 905 CB SER A 143 -0.988 10.531 0.538 1.00 0.00 C ATOM 906 OG SER A 143 -0.876 11.377 -0.594 1.00 0.00 O ATOM 0 H SER A 143 -1.134 8.835 2.213 1.00 0.00 H new ATOM 0 HA SER A 143 -1.301 8.735 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.000 10.598 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.313 10.884 1.318 1.00 0.00 H new ATOM 0 HG SER A 143 -1.092 12.298 -0.337 1.00 0.00 H new