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 -170:sc= 1.07 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.378 K(o=0.7,f=-2.7!) USER MOD Set 2.1: A 112 THR OG1 : rot 69:sc= 0.0681 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.116 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 -15:sc= 0.278 USER MOD Single : A 99 SER OG : rot 119:sc= 1.19 USER MOD Single : A 103 SER OG : rot 141:sc= 1.04 USER MOD Single : A 107 CYS SG : rot 57:sc= 0.113 USER MOD Single : A 109 TYR OH : rot 56:sc= 0.186 USER MOD Single : A 115 SER OG : rot 180:sc= -0.05 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc=-0.00694 (180deg=-0.113) USER MOD Single : A 122 THR OG1 : rot 121:sc= 0.13 USER MOD Single : A 123 CYS SG : rot -15:sc= -3.89! USER MOD Single : A 130 TYR OH : rot -111:sc= 0.0149 USER MOD Single : A 132 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -9.566 -2.645 2.091 1.00 0.00 N ATOM 116 CA TRP A 92 -8.518 -2.617 3.071 1.00 0.00 C ATOM 117 C TRP A 92 -8.978 -1.809 4.258 1.00 0.00 C ATOM 118 O TRP A 92 -9.972 -1.075 4.159 1.00 0.00 O ATOM 119 CB TRP A 92 -7.248 -2.003 2.495 1.00 0.00 C ATOM 120 CG TRP A 92 -6.649 -2.763 1.352 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.960 -2.632 0.033 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.616 -3.760 1.426 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.199 -3.486 -0.715 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.364 -4.188 0.115 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.882 -4.332 2.472 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.410 -5.155 -0.180 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.936 -5.293 2.170 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.709 -5.691 0.853 1.00 0.00 C ATOM 0 HA TRP A 92 -8.294 -3.639 3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.469 -0.989 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.506 -1.924 3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.700 -1.953 -0.364 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.245 -3.585 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.052 -4.028 3.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.232 -5.470 -1.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.363 -5.743 2.967 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.960 -6.442 0.650 1.00 0.00 H new ATOM 139 N LYS A 93 -8.295 -1.950 5.370 1.00 0.00 N ATOM 140 CA LYS A 93 -8.610 -1.198 6.561 1.00 0.00 C ATOM 141 C LYS A 93 -7.356 -0.488 7.049 1.00 0.00 C ATOM 142 O LYS A 93 -6.233 -0.902 6.733 1.00 0.00 O ATOM 143 CB LYS A 93 -9.118 -2.124 7.665 1.00 0.00 C ATOM 144 CG LYS A 93 -8.039 -3.007 8.249 1.00 0.00 C ATOM 145 CD LYS A 93 -8.592 -4.061 9.173 1.00 0.00 C ATOM 146 CE LYS A 93 -9.270 -3.465 10.397 1.00 0.00 C ATOM 147 NZ LYS A 93 -9.763 -4.515 11.305 1.00 0.00 N ATOM 0 H LYS A 93 -7.506 -2.589 5.474 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.389 -0.474 6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.556 -1.522 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.914 -2.752 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.491 -3.489 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.324 -2.390 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.308 -4.677 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.784 -4.719 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.566 -2.824 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.101 -2.834 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.220 -4.075 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.453 -5.111 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.965 -5.101 11.623 1.00 0.00 H new ATOM 161 N VAL A 94 -7.543 0.578 7.769 1.00 0.00 N ATOM 162 CA VAL A 94 -6.447 1.288 8.390 1.00 0.00 C ATOM 163 C VAL A 94 -5.781 0.379 9.432 1.00 0.00 C ATOM 164 O VAL A 94 -6.471 -0.267 10.232 1.00 0.00 O ATOM 165 CB VAL A 94 -6.929 2.604 9.061 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.776 3.335 9.727 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.606 3.504 8.043 1.00 0.00 C ATOM 0 H VAL A 94 -8.460 0.987 7.947 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.727 1.556 7.617 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.653 2.340 9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.144 4.252 10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.334 2.697 10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.022 3.582 8.980 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.937 4.421 8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.901 3.750 7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.467 2.989 7.617 1.00 0.00 H new ATOM 177 N GLY A 95 -4.471 0.307 9.400 1.00 0.00 N ATOM 178 CA GLY A 95 -3.755 -0.510 10.343 1.00 0.00 C ATOM 179 C GLY A 95 -3.511 -1.901 9.821 1.00 0.00 C ATOM 180 O GLY A 95 -3.236 -2.833 10.597 1.00 0.00 O ATOM 0 H GLY A 95 -3.883 0.804 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.800 -0.039 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.319 -0.567 11.274 1.00 0.00 H new ATOM 184 N ASP A 96 -3.623 -2.075 8.522 1.00 0.00 N ATOM 185 CA ASP A 96 -3.384 -3.379 7.932 1.00 0.00 C ATOM 186 C ASP A 96 -2.157 -3.325 7.077 1.00 0.00 C ATOM 187 O ASP A 96 -1.820 -2.284 6.535 1.00 0.00 O ATOM 188 CB ASP A 96 -4.537 -3.831 7.073 1.00 0.00 C ATOM 189 CG ASP A 96 -4.774 -5.327 7.160 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.900 -6.054 7.683 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.844 -5.799 6.739 1.00 0.00 O ATOM 0 H ASP A 96 -3.875 -1.342 7.859 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.262 -4.087 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.441 -3.305 7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.343 -3.557 6.036 1.00 0.00 H new ATOM 196 N LYS A 97 -1.488 -4.417 6.986 1.00 0.00 N ATOM 197 CA LYS A 97 -0.304 -4.554 6.208 1.00 0.00 C ATOM 198 C LYS A 97 -0.642 -4.891 4.787 1.00 0.00 C ATOM 199 O LYS A 97 -1.646 -5.560 4.513 1.00 0.00 O ATOM 200 CB LYS A 97 0.497 -5.653 6.805 1.00 0.00 C ATOM 201 CG LYS A 97 0.735 -5.421 8.271 1.00 0.00 C ATOM 202 CD LYS A 97 0.356 -6.630 9.099 1.00 0.00 C ATOM 203 CE LYS A 97 -1.143 -6.839 9.096 1.00 0.00 C ATOM 204 NZ LYS A 97 -1.556 -8.000 9.894 1.00 0.00 N ATOM 0 H LYS A 97 -1.758 -5.274 7.469 1.00 0.00 H new ATOM 0 HA LYS A 97 0.254 -3.618 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.021 -6.602 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.453 -5.732 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.786 -5.182 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.157 -4.558 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.851 -7.517 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.707 -6.499 10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.631 -5.945 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.485 -6.969 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.591 -8.096 9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.114 -8.860 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.256 -7.868 10.881 1.00 0.00 H new ATOM 218 N CYS A 98 0.190 -4.459 3.914 1.00 0.00 N ATOM 219 CA CYS A 98 0.024 -4.656 2.526 1.00 0.00 C ATOM 220 C CYS A 98 1.376 -4.490 1.855 1.00 0.00 C ATOM 221 O CYS A 98 2.414 -4.448 2.525 1.00 0.00 O ATOM 222 CB CYS A 98 -0.969 -3.618 1.983 1.00 0.00 C ATOM 223 SG CYS A 98 -0.465 -1.910 2.264 1.00 0.00 S ATOM 0 H CYS A 98 1.034 -3.941 4.156 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.366 -5.654 2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.097 -3.777 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.941 -3.781 2.448 1.00 0.00 H new ATOM 0 HG CYS A 98 0.482 -1.878 3.154 1.00 0.00 H new ATOM 229 N SER A 99 1.353 -4.417 0.587 1.00 0.00 N ATOM 230 CA SER A 99 2.513 -4.152 -0.207 1.00 0.00 C ATOM 231 C SER A 99 2.174 -3.038 -1.176 1.00 0.00 C ATOM 232 O SER A 99 1.022 -2.931 -1.624 1.00 0.00 O ATOM 233 CB SER A 99 2.947 -5.412 -0.944 1.00 0.00 C ATOM 234 OG SER A 99 3.326 -6.431 -0.035 1.00 0.00 O ATOM 0 H SER A 99 0.503 -4.542 0.038 1.00 0.00 H new ATOM 0 HA SER A 99 3.346 -3.844 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.132 -5.767 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.783 -5.181 -1.605 1.00 0.00 H new ATOM 0 HG SER A 99 2.739 -7.207 -0.150 1.00 0.00 H new ATOM 240 N ALA A 100 3.131 -2.201 -1.466 1.00 0.00 N ATOM 241 CA ALA A 100 2.909 -1.078 -2.334 1.00 0.00 C ATOM 242 C ALA A 100 4.080 -0.886 -3.275 1.00 0.00 C ATOM 243 O ALA A 100 5.179 -1.407 -3.031 1.00 0.00 O ATOM 244 CB ALA A 100 2.688 0.172 -1.506 1.00 0.00 C ATOM 0 H ALA A 100 4.083 -2.277 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 100 2.021 -1.271 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.520 1.022 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.818 0.034 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.567 0.360 -0.890 1.00 0.00 H new ATOM 250 N ILE A 101 3.833 -0.176 -4.352 1.00 0.00 N ATOM 251 CA ILE A 101 4.848 0.150 -5.323 1.00 0.00 C ATOM 252 C ILE A 101 5.470 1.484 -4.985 1.00 0.00 C ATOM 253 O ILE A 101 4.813 2.536 -5.081 1.00 0.00 O ATOM 254 CB ILE A 101 4.265 0.185 -6.762 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.906 -1.222 -7.229 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.220 0.865 -7.756 1.00 0.00 C ATOM 257 CD1 ILE A 101 5.087 -2.085 -7.606 1.00 0.00 C ATOM 0 H ILE A 101 2.910 0.195 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 101 5.611 -0.627 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 101 3.356 0.785 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.347 -1.721 -6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.241 -1.146 -8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.771 0.867 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.404 1.892 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.163 0.320 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.734 -3.066 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.636 -1.614 -8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.744 -2.199 -6.744 1.00 0.00 H new ATOM 269 N TRP A 102 6.715 1.442 -4.603 1.00 0.00 N ATOM 270 CA TRP A 102 7.442 2.633 -4.252 1.00 0.00 C ATOM 271 C TRP A 102 7.685 3.405 -5.485 1.00 0.00 C ATOM 272 O TRP A 102 8.276 2.901 -6.417 1.00 0.00 O ATOM 273 CB TRP A 102 8.770 2.284 -3.622 1.00 0.00 C ATOM 274 CG TRP A 102 9.378 3.398 -2.830 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.720 4.377 -2.146 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.761 3.627 -2.616 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.619 5.175 -1.493 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.877 4.738 -1.770 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.909 3.001 -3.048 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.106 5.224 -1.355 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.119 3.495 -2.639 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.205 4.596 -1.798 1.00 0.00 C ATOM 0 H TRP A 102 7.257 0.581 -4.525 1.00 0.00 H new ATOM 0 HA TRP A 102 6.860 3.212 -3.535 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.636 1.420 -2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.466 1.987 -4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.648 4.504 -2.123 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.384 5.968 -0.896 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.856 2.138 -3.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.177 6.078 -0.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.026 3.017 -2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.177 4.954 -1.494 1.00 0.00 H new ATOM 293 N SER A 103 7.269 4.617 -5.480 1.00 0.00 N ATOM 294 CA SER A 103 7.383 5.485 -6.609 1.00 0.00 C ATOM 295 C SER A 103 8.831 5.749 -6.999 1.00 0.00 C ATOM 296 O SER A 103 9.140 6.069 -8.145 1.00 0.00 O ATOM 297 CB SER A 103 6.751 6.757 -6.220 1.00 0.00 C ATOM 298 OG SER A 103 5.392 6.585 -5.926 1.00 0.00 O ATOM 0 H SER A 103 6.826 5.052 -4.671 1.00 0.00 H new ATOM 0 HA SER A 103 6.905 5.021 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.263 7.168 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.861 7.481 -7.027 1.00 0.00 H new ATOM 0 HG SER A 103 5.152 7.137 -5.152 1.00 0.00 H new ATOM 304 N GLU A 104 9.696 5.585 -6.054 1.00 0.00 N ATOM 305 CA GLU A 104 11.073 5.928 -6.212 1.00 0.00 C ATOM 306 C GLU A 104 11.860 4.842 -6.947 1.00 0.00 C ATOM 307 O GLU A 104 12.712 5.150 -7.775 1.00 0.00 O ATOM 308 CB GLU A 104 11.607 6.185 -4.855 1.00 0.00 C ATOM 309 CG GLU A 104 10.726 7.171 -4.095 1.00 0.00 C ATOM 310 CD GLU A 104 10.937 8.612 -4.457 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.462 9.047 -5.523 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.560 9.344 -3.666 1.00 0.00 O ATOM 0 H GLU A 104 9.464 5.204 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 104 11.175 6.816 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.670 5.248 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.620 6.580 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.681 6.915 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.906 7.049 -3.027 1.00 0.00 H new ATOM 319 N ASP A 105 11.582 3.576 -6.654 1.00 0.00 N ATOM 320 CA ASP A 105 12.270 2.485 -7.387 1.00 0.00 C ATOM 321 C ASP A 105 11.339 1.767 -8.332 1.00 0.00 C ATOM 322 O ASP A 105 11.782 1.039 -9.210 1.00 0.00 O ATOM 323 CB ASP A 105 12.934 1.439 -6.459 1.00 0.00 C ATOM 324 CG ASP A 105 14.245 1.883 -5.846 1.00 0.00 C ATOM 325 OD1 ASP A 105 15.094 2.445 -6.562 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.461 1.659 -4.632 1.00 0.00 O ATOM 0 H ASP A 105 10.914 3.273 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 105 13.056 2.987 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.239 1.191 -5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.105 0.525 -7.027 1.00 0.00 H new ATOM 331 N GLY A 106 10.050 1.966 -8.145 1.00 0.00 N ATOM 332 CA GLY A 106 9.036 1.325 -8.990 1.00 0.00 C ATOM 333 C GLY A 106 8.766 -0.110 -8.559 1.00 0.00 C ATOM 334 O GLY A 106 7.937 -0.808 -9.139 1.00 0.00 O ATOM 0 H GLY A 106 9.668 2.567 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.110 1.898 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.368 1.336 -10.028 1.00 0.00 H new ATOM 338 N CYS A 107 9.482 -0.533 -7.557 1.00 0.00 N ATOM 339 CA CYS A 107 9.449 -1.856 -7.045 1.00 0.00 C ATOM 340 C CYS A 107 8.411 -2.040 -5.933 1.00 0.00 C ATOM 341 O CYS A 107 7.913 -1.057 -5.357 1.00 0.00 O ATOM 342 CB CYS A 107 10.830 -2.158 -6.553 1.00 0.00 C ATOM 343 SG CYS A 107 12.100 -2.163 -7.832 1.00 0.00 S ATOM 0 H CYS A 107 10.133 0.072 -7.057 1.00 0.00 H new ATOM 0 HA CYS A 107 9.145 -2.548 -7.831 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.100 -1.423 -5.795 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.822 -3.132 -6.064 1.00 0.00 H new ATOM 0 HG CYS A 107 12.102 -1.017 -8.446 1.00 0.00 H new ATOM 349 N ILE A 108 8.112 -3.296 -5.633 1.00 0.00 N ATOM 350 CA ILE A 108 7.161 -3.667 -4.596 1.00 0.00 C ATOM 351 C ILE A 108 7.862 -3.769 -3.251 1.00 0.00 C ATOM 352 O ILE A 108 8.931 -4.383 -3.137 1.00 0.00 O ATOM 353 CB ILE A 108 6.532 -5.042 -4.877 1.00 0.00 C ATOM 354 CG1 ILE A 108 6.051 -5.121 -6.321 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.379 -5.271 -3.909 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.394 -6.439 -6.700 1.00 0.00 C ATOM 0 H ILE A 108 8.529 -4.096 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 108 6.391 -2.896 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 108 7.280 -5.821 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.342 -4.313 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.900 -4.950 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.929 -6.244 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.752 -5.241 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.630 -4.491 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.084 -6.404 -7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.105 -7.253 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.522 -6.606 -6.068 1.00 0.00 H new ATOM 368 N TYR A 109 7.274 -3.177 -2.254 1.00 0.00 N ATOM 369 CA TYR A 109 7.807 -3.185 -0.912 1.00 0.00 C ATOM 370 C TYR A 109 6.673 -3.305 0.104 1.00 0.00 C ATOM 371 O TYR A 109 5.540 -2.901 -0.188 1.00 0.00 O ATOM 372 CB TYR A 109 8.577 -1.911 -0.646 1.00 0.00 C ATOM 373 CG TYR A 109 9.832 -1.706 -1.474 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.791 -1.061 -2.700 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.059 -2.105 -0.991 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.942 -0.827 -3.415 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.218 -1.870 -1.696 1.00 0.00 C ATOM 378 CZ TYR A 109 12.155 -1.226 -2.908 1.00 0.00 C ATOM 379 OH TYR A 109 13.310 -0.988 -3.615 1.00 0.00 O ATOM 0 H TYR A 109 6.396 -2.665 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 109 8.476 -4.040 -0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.911 -1.065 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.854 -1.891 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.841 -0.737 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.113 -2.613 -0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.893 -0.331 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.170 -2.190 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 109 13.386 -0.029 -3.804 1.00 0.00 H new ATOM 389 N PRO A 110 6.947 -3.878 1.293 1.00 0.00 N ATOM 390 CA PRO A 110 5.943 -4.030 2.355 1.00 0.00 C ATOM 391 C PRO A 110 5.563 -2.687 2.975 1.00 0.00 C ATOM 392 O PRO A 110 6.426 -1.832 3.229 1.00 0.00 O ATOM 393 CB PRO A 110 6.653 -4.884 3.405 1.00 0.00 C ATOM 394 CG PRO A 110 8.100 -4.617 3.184 1.00 0.00 C ATOM 395 CD PRO A 110 8.259 -4.417 1.705 1.00 0.00 C ATOM 0 HA PRO A 110 5.019 -4.466 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.348 -4.608 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.421 -5.942 3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.423 -3.734 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.709 -5.451 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.068 -3.723 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.488 -5.353 1.195 1.00 0.00 H new ATOM 403 N ALA A 111 4.303 -2.506 3.243 1.00 0.00 N ATOM 404 CA ALA A 111 3.830 -1.282 3.814 1.00 0.00 C ATOM 405 C ALA A 111 2.610 -1.536 4.675 1.00 0.00 C ATOM 406 O ALA A 111 1.940 -2.533 4.516 1.00 0.00 O ATOM 407 CB ALA A 111 3.510 -0.296 2.713 1.00 0.00 C ATOM 0 H ALA A 111 3.577 -3.202 3.072 1.00 0.00 H new ATOM 0 HA ALA A 111 4.610 -0.861 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.150 0.635 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.409 -0.098 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.740 -0.713 2.064 1.00 0.00 H new ATOM 413 N THR A 112 2.339 -0.663 5.586 1.00 0.00 N ATOM 414 CA THR A 112 1.176 -0.785 6.429 1.00 0.00 C ATOM 415 C THR A 112 0.308 0.442 6.200 1.00 0.00 C ATOM 416 O THR A 112 0.822 1.555 6.131 1.00 0.00 O ATOM 417 CB THR A 112 1.594 -0.845 7.909 1.00 0.00 C ATOM 418 OG1 THR A 112 2.671 -1.793 8.048 1.00 0.00 O ATOM 419 CG2 THR A 112 0.417 -1.309 8.764 1.00 0.00 C ATOM 0 H THR A 112 2.912 0.159 5.775 1.00 0.00 H new ATOM 0 HA THR A 112 0.633 -1.698 6.187 1.00 0.00 H new ATOM 0 HB THR A 112 1.911 0.145 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.476 -1.439 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.721 -1.349 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.411 -0.609 8.653 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.100 -2.300 8.440 1.00 0.00 H new ATOM 427 N ILE A 113 -0.966 0.240 6.064 1.00 0.00 N ATOM 428 CA ILE A 113 -1.907 1.310 5.804 1.00 0.00 C ATOM 429 C ILE A 113 -2.064 2.194 7.034 1.00 0.00 C ATOM 430 O ILE A 113 -2.500 1.729 8.085 1.00 0.00 O ATOM 431 CB ILE A 113 -3.261 0.711 5.436 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.085 -0.249 4.271 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.237 1.816 5.064 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.220 -1.196 4.117 1.00 0.00 C ATOM 0 H ILE A 113 -1.398 -0.682 6.130 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.531 1.918 4.981 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.663 0.169 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.970 0.324 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.164 -0.815 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.200 1.378 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.363 2.491 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.849 2.373 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.033 -1.854 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.321 -1.793 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.140 -0.637 3.947 1.00 0.00 H new ATOM 446 N ALA A 114 -1.723 3.445 6.888 1.00 0.00 N ATOM 447 CA ALA A 114 -1.774 4.394 7.981 1.00 0.00 C ATOM 448 C ALA A 114 -3.088 5.150 7.982 1.00 0.00 C ATOM 449 O ALA A 114 -3.564 5.583 9.038 1.00 0.00 O ATOM 450 CB ALA A 114 -0.619 5.365 7.882 1.00 0.00 C ATOM 0 H ALA A 114 -1.400 3.843 6.006 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.697 3.840 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.668 6.074 8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.322 4.817 7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.678 5.905 6.937 1.00 0.00 H new ATOM 456 N SER A 115 -3.658 5.330 6.813 1.00 0.00 N ATOM 457 CA SER A 115 -4.922 6.005 6.669 1.00 0.00 C ATOM 458 C SER A 115 -5.508 5.662 5.320 1.00 0.00 C ATOM 459 O SER A 115 -4.766 5.331 4.403 1.00 0.00 O ATOM 460 CB SER A 115 -4.723 7.525 6.779 1.00 0.00 C ATOM 461 OG SER A 115 -3.802 7.999 5.792 1.00 0.00 O ATOM 0 H SER A 115 -3.254 5.010 5.933 1.00 0.00 H new ATOM 0 HA SER A 115 -5.600 5.684 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.682 8.030 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.355 7.775 7.774 1.00 0.00 H new ATOM 0 HG SER A 115 -3.695 8.969 5.883 1.00 0.00 H new ATOM 467 N ILE A 116 -6.809 5.712 5.206 1.00 0.00 N ATOM 468 CA ILE A 116 -7.486 5.478 3.966 1.00 0.00 C ATOM 469 C ILE A 116 -8.407 6.641 3.687 1.00 0.00 C ATOM 470 O ILE A 116 -9.119 7.114 4.582 1.00 0.00 O ATOM 471 CB ILE A 116 -8.342 4.182 3.997 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.480 2.962 4.302 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.076 3.992 2.671 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.255 1.679 4.385 1.00 0.00 C ATOM 0 H ILE A 116 -7.434 5.920 5.985 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.726 5.368 3.192 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.078 4.287 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.717 2.865 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.960 3.123 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.670 3.079 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.732 4.844 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.350 3.917 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.574 0.856 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -9.000 1.755 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.754 1.493 3.434 1.00 0.00 H new ATOM 486 N ASP A 117 -8.374 7.115 2.493 1.00 0.00 N ATOM 487 CA ASP A 117 -9.277 8.131 2.051 1.00 0.00 C ATOM 488 C ASP A 117 -10.224 7.452 1.106 1.00 0.00 C ATOM 489 O ASP A 117 -9.871 7.168 -0.037 1.00 0.00 O ATOM 490 CB ASP A 117 -8.545 9.267 1.336 1.00 0.00 C ATOM 491 CG ASP A 117 -9.448 10.441 1.003 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.321 10.324 0.122 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.276 11.524 1.610 1.00 0.00 O ATOM 0 H ASP A 117 -7.712 6.807 1.781 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.792 8.583 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.724 9.614 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.103 8.884 0.416 1.00 0.00 H new ATOM 498 N PHE A 118 -11.397 7.140 1.582 1.00 0.00 N ATOM 499 CA PHE A 118 -12.367 6.390 0.805 1.00 0.00 C ATOM 500 C PHE A 118 -12.961 7.220 -0.304 1.00 0.00 C ATOM 501 O PHE A 118 -13.548 6.682 -1.253 1.00 0.00 O ATOM 502 CB PHE A 118 -13.461 5.820 1.694 1.00 0.00 C ATOM 503 CG PHE A 118 -12.985 4.761 2.646 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.789 3.464 2.210 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.726 5.062 3.972 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.347 2.486 3.075 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.282 4.085 4.843 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.094 2.797 4.395 1.00 0.00 C ATOM 0 H PHE A 118 -11.715 7.394 2.517 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.833 5.559 0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.910 6.632 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.246 5.401 1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.985 3.214 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.872 6.071 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.199 1.477 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.083 4.332 5.875 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.749 2.032 5.075 1.00 0.00 H new ATOM 518 N LYS A 119 -12.793 8.517 -0.204 1.00 0.00 N ATOM 519 CA LYS A 119 -13.279 9.413 -1.216 1.00 0.00 C ATOM 520 C LYS A 119 -12.412 9.325 -2.456 1.00 0.00 C ATOM 521 O LYS A 119 -12.927 9.313 -3.565 1.00 0.00 O ATOM 522 CB LYS A 119 -13.336 10.849 -0.692 1.00 0.00 C ATOM 523 CG LYS A 119 -14.346 11.068 0.429 1.00 0.00 C ATOM 524 CD LYS A 119 -15.781 10.839 -0.047 1.00 0.00 C ATOM 525 CE LYS A 119 -16.196 11.843 -1.121 1.00 0.00 C ATOM 526 NZ LYS A 119 -16.203 13.238 -0.615 1.00 0.00 N ATOM 0 H LYS A 119 -12.319 8.974 0.575 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.293 9.115 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.346 11.132 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.579 11.516 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.125 10.392 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.248 12.083 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.875 9.827 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.461 10.915 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.513 11.769 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.189 11.588 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.634 13.863 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.753 13.285 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.227 13.545 -0.430 1.00 0.00 H new ATOM 540 N ARG A 120 -11.098 9.227 -2.267 1.00 0.00 N ATOM 541 CA ARG A 120 -10.186 9.111 -3.404 1.00 0.00 C ATOM 542 C ARG A 120 -9.905 7.651 -3.693 1.00 0.00 C ATOM 543 O ARG A 120 -9.274 7.318 -4.703 1.00 0.00 O ATOM 544 CB ARG A 120 -8.834 9.783 -3.110 1.00 0.00 C ATOM 545 CG ARG A 120 -8.901 11.170 -2.509 1.00 0.00 C ATOM 546 CD ARG A 120 -9.817 12.079 -3.284 1.00 0.00 C ATOM 547 NE ARG A 120 -9.823 13.456 -2.761 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.424 13.891 -1.624 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.809 13.034 -0.664 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.530 15.197 -1.403 1.00 0.00 N ATOM 0 H ARG A 120 -10.646 9.225 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.666 9.599 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.271 9.141 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.268 9.838 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.247 11.101 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.900 11.602 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.510 12.093 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.830 11.679 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.324 14.156 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.652 12.033 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.259 13.384 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.162 15.861 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.980 15.535 -0.552 1.00 0.00 H new ATOM 564 N GLU A 121 -10.385 6.789 -2.792 1.00 0.00 N ATOM 565 CA GLU A 121 -10.140 5.341 -2.818 1.00 0.00 C ATOM 566 C GLU A 121 -8.637 5.070 -2.705 1.00 0.00 C ATOM 567 O GLU A 121 -8.119 4.052 -3.199 1.00 0.00 O ATOM 568 CB GLU A 121 -10.719 4.674 -4.074 1.00 0.00 C ATOM 569 CG GLU A 121 -12.222 4.816 -4.238 1.00 0.00 C ATOM 570 CD GLU A 121 -12.721 4.074 -5.449 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.407 4.486 -6.578 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.434 3.044 -5.298 1.00 0.00 O ATOM 0 H GLU A 121 -10.967 7.083 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.654 4.901 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.231 5.099 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.469 3.613 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.723 4.438 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.481 5.871 -4.325 1.00 0.00 H new ATOM 579 N THR A 122 -7.951 5.954 -2.024 1.00 0.00 N ATOM 580 CA THR A 122 -6.542 5.839 -1.855 1.00 0.00 C ATOM 581 C THR A 122 -6.226 5.720 -0.378 1.00 0.00 C ATOM 582 O THR A 122 -7.077 5.976 0.463 1.00 0.00 O ATOM 583 CB THR A 122 -5.794 7.057 -2.442 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.234 8.267 -1.788 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.030 7.192 -3.946 1.00 0.00 C ATOM 0 H THR A 122 -8.364 6.771 -1.574 1.00 0.00 H new ATOM 0 HA THR A 122 -6.208 4.950 -2.390 1.00 0.00 H new ATOM 0 HB THR A 122 -4.729 6.901 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.467 8.709 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.488 8.059 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.675 6.294 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.096 7.319 -4.137 1.00 0.00 H new ATOM 593 N CYS A 123 -5.043 5.333 -0.067 1.00 0.00 N ATOM 594 CA CYS A 123 -4.624 5.205 1.285 1.00 0.00 C ATOM 595 C CYS A 123 -3.156 5.509 1.395 1.00 0.00 C ATOM 596 O CYS A 123 -2.400 5.290 0.449 1.00 0.00 O ATOM 597 CB CYS A 123 -4.909 3.798 1.764 1.00 0.00 C ATOM 598 SG CYS A 123 -4.262 2.529 0.663 1.00 0.00 S ATOM 0 H CYS A 123 -4.327 5.092 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.171 5.912 1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.477 3.664 2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.986 3.667 1.866 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.953 3.064 -0.481 1.00 0.00 H new ATOM 604 N VAL A 124 -2.756 6.000 2.517 1.00 0.00 N ATOM 605 CA VAL A 124 -1.378 6.276 2.764 1.00 0.00 C ATOM 606 C VAL A 124 -0.818 5.094 3.491 1.00 0.00 C ATOM 607 O VAL A 124 -1.410 4.630 4.471 1.00 0.00 O ATOM 608 CB VAL A 124 -1.175 7.562 3.614 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.304 7.783 3.917 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.745 8.777 2.895 1.00 0.00 C ATOM 0 H VAL A 124 -3.377 6.223 3.295 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.869 6.448 1.816 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.708 7.429 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.422 8.688 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.693 6.930 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.855 7.889 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.593 9.666 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.239 8.904 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.812 8.632 2.725 1.00 0.00 H new ATOM 620 N VAL A 125 0.284 4.596 3.030 1.00 0.00 N ATOM 621 CA VAL A 125 0.879 3.452 3.627 1.00 0.00 C ATOM 622 C VAL A 125 2.296 3.788 4.049 1.00 0.00 C ATOM 623 O VAL A 125 2.963 4.619 3.427 1.00 0.00 O ATOM 624 CB VAL A 125 0.907 2.222 2.652 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.485 1.832 2.170 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.836 2.472 1.465 1.00 0.00 C ATOM 0 H VAL A 125 0.793 4.972 2.231 1.00 0.00 H new ATOM 0 HA VAL A 125 0.274 3.177 4.491 1.00 0.00 H new ATOM 0 HB VAL A 125 1.300 1.382 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.411 0.977 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.106 1.569 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.935 2.671 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.832 1.601 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.491 3.345 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.849 2.649 1.827 1.00 0.00 H new ATOM 636 N VAL A 126 2.715 3.186 5.113 1.00 0.00 N ATOM 637 CA VAL A 126 4.036 3.352 5.641 1.00 0.00 C ATOM 638 C VAL A 126 4.852 2.123 5.324 1.00 0.00 C ATOM 639 O VAL A 126 4.494 1.013 5.724 1.00 0.00 O ATOM 640 CB VAL A 126 4.019 3.595 7.175 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.441 3.551 7.746 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.349 4.936 7.494 1.00 0.00 C ATOM 0 H VAL A 126 2.135 2.547 5.656 1.00 0.00 H new ATOM 0 HA VAL A 126 4.482 4.231 5.176 1.00 0.00 H new ATOM 0 HB VAL A 126 3.441 2.799 7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.407 3.724 8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.882 2.574 7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.047 4.324 7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.344 5.093 8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.902 5.743 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.324 4.928 7.124 1.00 0.00 H new ATOM 652 N TYR A 127 5.923 2.324 4.600 1.00 0.00 N ATOM 653 CA TYR A 127 6.806 1.261 4.204 1.00 0.00 C ATOM 654 C TYR A 127 7.497 0.693 5.392 1.00 0.00 C ATOM 655 O TYR A 127 8.301 1.370 6.059 1.00 0.00 O ATOM 656 CB TYR A 127 7.804 1.727 3.167 1.00 0.00 C ATOM 657 CG TYR A 127 7.160 2.052 1.860 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.770 1.034 1.004 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.934 3.364 1.473 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.167 1.307 -0.191 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.333 3.642 0.272 1.00 0.00 C ATOM 662 CZ TYR A 127 5.951 2.608 -0.554 1.00 0.00 C ATOM 663 OH TYR A 127 5.304 2.872 -1.729 1.00 0.00 O ATOM 0 H TYR A 127 6.209 3.244 4.265 1.00 0.00 H new ATOM 0 HA TYR A 127 6.204 0.476 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.326 2.608 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.555 0.951 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.946 0.007 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.234 4.173 2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.863 0.502 -0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.160 4.666 -0.025 1.00 0.00 H new ATOM 0 HH TYR A 127 5.364 3.830 -1.928 1.00 0.00 H new ATOM 673 N THR A 128 7.199 -0.532 5.649 1.00 0.00 N ATOM 674 CA THR A 128 7.668 -1.203 6.792 1.00 0.00 C ATOM 675 C THR A 128 9.155 -1.518 6.653 1.00 0.00 C ATOM 676 O THR A 128 9.603 -2.070 5.636 1.00 0.00 O ATOM 677 CB THR A 128 6.868 -2.484 6.954 1.00 0.00 C ATOM 678 OG1 THR A 128 5.459 -2.165 6.946 1.00 0.00 O ATOM 679 CG2 THR A 128 7.226 -3.185 8.237 1.00 0.00 C ATOM 0 H THR A 128 6.605 -1.104 5.048 1.00 0.00 H new ATOM 0 HA THR A 128 7.542 -0.572 7.672 1.00 0.00 H new ATOM 0 HB THR A 128 7.104 -3.153 6.126 1.00 0.00 H new ATOM 0 HG1 THR A 128 4.937 -2.988 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.639 -4.099 8.328 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.287 -3.434 8.232 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.011 -2.530 9.082 1.00 0.00 H new ATOM 687 N GLY A 129 9.906 -1.156 7.662 1.00 0.00 N ATOM 688 CA GLY A 129 11.317 -1.380 7.653 1.00 0.00 C ATOM 689 C GLY A 129 12.056 -0.148 7.200 1.00 0.00 C ATOM 690 O GLY A 129 13.271 -0.033 7.390 1.00 0.00 O ATOM 0 H GLY A 129 9.553 -0.701 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.650 -1.662 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.552 -2.214 6.991 1.00 0.00 H new ATOM 694 N TYR A 130 11.340 0.790 6.613 1.00 0.00 N ATOM 695 CA TYR A 130 11.960 1.980 6.097 1.00 0.00 C ATOM 696 C TYR A 130 11.434 3.215 6.802 1.00 0.00 C ATOM 697 O TYR A 130 12.202 4.098 7.173 1.00 0.00 O ATOM 698 CB TYR A 130 11.738 2.082 4.602 1.00 0.00 C ATOM 699 CG TYR A 130 12.228 0.884 3.817 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.565 0.746 3.506 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.348 -0.097 3.379 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.021 -0.329 2.784 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.797 -1.177 2.655 1.00 0.00 C ATOM 704 CZ TYR A 130 13.137 -1.285 2.359 1.00 0.00 C ATOM 705 OH TYR A 130 13.600 -2.375 1.655 1.00 0.00 O ATOM 0 H TYR A 130 10.329 0.745 6.485 1.00 0.00 H new ATOM 0 HA TYR A 130 13.032 1.917 6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.673 2.215 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.241 2.975 4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.266 1.498 3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.297 -0.011 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.072 -0.420 2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.103 -1.935 2.321 1.00 0.00 H new ATOM 0 HH TYR A 130 13.290 -2.321 0.727 1.00 0.00 H new ATOM 715 N GLY A 131 10.130 3.282 6.983 1.00 0.00 N ATOM 716 CA GLY A 131 9.548 4.394 7.705 1.00 0.00 C ATOM 717 C GLY A 131 9.012 5.499 6.810 1.00 0.00 C ATOM 718 O GLY A 131 8.629 6.565 7.301 1.00 0.00 O ATOM 0 H GLY A 131 9.462 2.590 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.737 4.023 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.300 4.814 8.373 1.00 0.00 H new ATOM 722 N ASN A 132 8.973 5.273 5.509 1.00 0.00 N ATOM 723 CA ASN A 132 8.419 6.289 4.608 1.00 0.00 C ATOM 724 C ASN A 132 6.976 6.051 4.435 1.00 0.00 C ATOM 725 O ASN A 132 6.491 4.962 4.693 1.00 0.00 O ATOM 726 CB ASN A 132 9.057 6.347 3.209 1.00 0.00 C ATOM 727 CG ASN A 132 10.439 6.947 3.157 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.812 7.760 3.992 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.184 6.594 2.142 1.00 0.00 N ATOM 0 H ASN A 132 9.306 4.423 5.054 1.00 0.00 H new ATOM 0 HA ASN A 132 8.638 7.242 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.102 5.335 2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.404 6.922 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.112 7.000 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.837 5.913 1.467 1.00 0.00 H new ATOM 736 N ARG A 133 6.298 7.026 3.962 1.00 0.00 N ATOM 737 CA ARG A 133 4.896 6.926 3.764 1.00 0.00 C ATOM 738 C ARG A 133 4.560 7.445 2.396 1.00 0.00 C ATOM 739 O ARG A 133 5.147 8.417 1.941 1.00 0.00 O ATOM 740 CB ARG A 133 4.144 7.624 4.913 1.00 0.00 C ATOM 741 CG ARG A 133 4.444 9.101 5.092 1.00 0.00 C ATOM 742 CD ARG A 133 3.516 9.983 4.291 1.00 0.00 C ATOM 743 NE ARG A 133 3.872 11.407 4.445 1.00 0.00 N ATOM 744 CZ ARG A 133 3.406 12.430 3.702 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.518 12.222 2.739 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.856 13.660 3.922 1.00 0.00 N ATOM 0 H ARG A 133 6.699 7.926 3.698 1.00 0.00 H new ATOM 0 HA ARG A 133 4.567 5.887 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.073 7.507 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.380 7.108 5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.363 9.359 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.474 9.298 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.564 9.705 3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.488 9.825 4.616 1.00 0.00 H new ATOM 0 HE ARG A 133 4.534 11.639 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.179 11.278 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.174 13.006 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.551 13.826 4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.507 14.438 3.363 1.00 0.00 H new ATOM 760 N GLU A 134 3.678 6.775 1.736 1.00 0.00 N ATOM 761 CA GLU A 134 3.306 7.074 0.391 1.00 0.00 C ATOM 762 C GLU A 134 1.844 6.725 0.192 1.00 0.00 C ATOM 763 O GLU A 134 1.329 5.851 0.881 1.00 0.00 O ATOM 764 CB GLU A 134 4.245 6.304 -0.540 1.00 0.00 C ATOM 765 CG GLU A 134 3.860 6.296 -1.977 1.00 0.00 C ATOM 766 CD GLU A 134 5.054 6.178 -2.884 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.561 5.073 -3.127 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.494 7.220 -3.396 1.00 0.00 O ATOM 0 H GLU A 134 3.178 5.977 2.129 1.00 0.00 H new ATOM 0 HA GLU A 134 3.407 8.135 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.244 6.730 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.307 5.273 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.180 5.465 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.317 7.212 -2.211 1.00 0.00 H new ATOM 775 N GLU A 135 1.176 7.404 -0.709 1.00 0.00 N ATOM 776 CA GLU A 135 -0.227 7.183 -0.923 1.00 0.00 C ATOM 777 C GLU A 135 -0.429 6.345 -2.152 1.00 0.00 C ATOM 778 O GLU A 135 0.075 6.652 -3.231 1.00 0.00 O ATOM 779 CB GLU A 135 -0.982 8.493 -1.054 1.00 0.00 C ATOM 780 CG GLU A 135 -2.452 8.301 -1.350 1.00 0.00 C ATOM 781 CD GLU A 135 -3.160 9.579 -1.599 1.00 0.00 C ATOM 782 OE1 GLU A 135 -2.822 10.271 -2.574 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.112 9.894 -0.868 1.00 0.00 O ATOM 0 H GLU A 135 1.589 8.119 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.623 6.656 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.874 9.062 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.532 9.088 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.561 7.655 -2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.923 7.788 -0.512 1.00 0.00 H new ATOM 790 N GLN A 136 -1.156 5.286 -1.968 1.00 0.00 N ATOM 791 CA GLN A 136 -1.407 4.313 -2.983 1.00 0.00 C ATOM 792 C GLN A 136 -2.900 4.078 -3.051 1.00 0.00 C ATOM 793 O GLN A 136 -3.617 4.430 -2.132 1.00 0.00 O ATOM 794 CB GLN A 136 -0.705 3.020 -2.593 1.00 0.00 C ATOM 795 CG GLN A 136 0.758 3.229 -2.214 1.00 0.00 C ATOM 796 CD GLN A 136 1.665 3.440 -3.409 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.240 3.909 -4.471 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.918 3.193 -3.223 1.00 0.00 N ATOM 0 H GLN A 136 -1.605 5.069 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.040 4.653 -3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.231 2.566 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.763 2.316 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.834 4.092 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.107 2.363 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.235 2.806 -2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.591 3.385 -3.965 1.00 0.00 H new ATOM 807 N ASN A 137 -3.356 3.494 -4.106 1.00 0.00 N ATOM 808 CA ASN A 137 -4.778 3.214 -4.280 1.00 0.00 C ATOM 809 C ASN A 137 -5.094 1.911 -3.626 1.00 0.00 C ATOM 810 O ASN A 137 -4.292 0.993 -3.675 1.00 0.00 O ATOM 811 CB ASN A 137 -5.142 3.073 -5.754 1.00 0.00 C ATOM 812 CG ASN A 137 -4.784 4.255 -6.610 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.590 5.164 -6.818 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.571 4.264 -7.098 1.00 0.00 N ATOM 0 H ASN A 137 -2.771 3.189 -4.884 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.337 4.041 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.644 2.190 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.215 2.897 -5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.260 5.045 -7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.936 3.490 -6.901 1.00 0.00 H new ATOM 821 N LEU A 138 -6.257 1.825 -3.047 1.00 0.00 N ATOM 822 CA LEU A 138 -6.748 0.587 -2.418 1.00 0.00 C ATOM 823 C LEU A 138 -6.785 -0.563 -3.430 1.00 0.00 C ATOM 824 O LEU A 138 -6.390 -1.677 -3.138 1.00 0.00 O ATOM 825 CB LEU A 138 -8.144 0.830 -1.864 1.00 0.00 C ATOM 826 CG LEU A 138 -8.242 1.902 -0.791 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.682 2.296 -0.575 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.635 1.409 0.508 1.00 0.00 C ATOM 0 H LEU A 138 -6.911 2.605 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.070 0.309 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.801 1.105 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.522 -0.106 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.685 2.777 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.737 3.064 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.096 2.685 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.254 1.424 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.714 2.189 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.169 0.521 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.585 1.162 0.349 1.00 0.00 H new ATOM 840 N SER A 139 -7.199 -0.249 -4.637 1.00 0.00 N ATOM 841 CA SER A 139 -7.306 -1.233 -5.700 1.00 0.00 C ATOM 842 C SER A 139 -5.934 -1.503 -6.353 1.00 0.00 C ATOM 843 O SER A 139 -5.804 -2.377 -7.206 1.00 0.00 O ATOM 844 CB SER A 139 -8.318 -0.753 -6.741 1.00 0.00 C ATOM 845 OG SER A 139 -9.567 -0.425 -6.122 1.00 0.00 O ATOM 0 H SER A 139 -7.472 0.694 -4.913 1.00 0.00 H new ATOM 0 HA SER A 139 -7.653 -2.173 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.925 0.120 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.471 -1.529 -7.491 1.00 0.00 H new ATOM 0 HG SER A 139 -10.200 -0.119 -6.805 1.00 0.00 H new ATOM 851 N ASP A 140 -4.924 -0.751 -5.943 1.00 0.00 N ATOM 852 CA ASP A 140 -3.576 -0.889 -6.496 1.00 0.00 C ATOM 853 C ASP A 140 -2.685 -1.553 -5.480 1.00 0.00 C ATOM 854 O ASP A 140 -1.584 -2.013 -5.799 1.00 0.00 O ATOM 855 CB ASP A 140 -2.993 0.476 -6.864 1.00 0.00 C ATOM 856 CG ASP A 140 -1.615 0.391 -7.494 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.485 -0.070 -8.642 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.634 0.806 -6.846 1.00 0.00 O ATOM 0 H ASP A 140 -5.009 -0.032 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.634 -1.496 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.670 0.978 -7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.937 1.093 -5.967 1.00 0.00 H new ATOM 863 N LEU A 141 -3.162 -1.607 -4.243 1.00 0.00 N ATOM 864 CA LEU A 141 -2.423 -2.227 -3.178 1.00 0.00 C ATOM 865 C LEU A 141 -2.182 -3.664 -3.478 1.00 0.00 C ATOM 866 O LEU A 141 -2.917 -4.298 -4.251 1.00 0.00 O ATOM 867 CB LEU A 141 -3.103 -2.097 -1.821 1.00 0.00 C ATOM 868 CG LEU A 141 -3.193 -0.703 -1.220 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.790 -0.782 0.162 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.828 -0.046 -1.167 1.00 0.00 C ATOM 0 H LEU A 141 -4.064 -1.223 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.474 -1.694 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.115 -2.492 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.573 -2.736 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.836 -0.092 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.853 0.219 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.789 -1.214 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.161 -1.408 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.920 0.950 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.158 -0.648 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.423 0.034 -2.176 1.00 0.00 H new ATOM 882 N LEU A 142 -1.168 -4.160 -2.910 1.00 0.00 N ATOM 883 CA LEU A 142 -0.764 -5.482 -3.144 1.00 0.00 C ATOM 884 C LEU A 142 -0.795 -6.209 -1.847 1.00 0.00 C ATOM 885 O LEU A 142 -0.722 -5.586 -0.778 1.00 0.00 O ATOM 886 CB LEU A 142 0.639 -5.470 -3.733 1.00 0.00 C ATOM 887 CG LEU A 142 0.794 -4.649 -5.012 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.241 -4.430 -5.349 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.081 -5.311 -6.161 1.00 0.00 C ATOM 0 H LEU A 142 -0.578 -3.650 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.427 -5.982 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.328 -5.081 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.939 -6.497 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 142 0.339 -3.675 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.317 -3.843 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.728 -3.895 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.730 -5.393 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.205 -4.709 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.501 -6.303 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.980 -5.401 -5.928 1.00 0.00 H new ATOM 901 N SER A 143 -0.913 -7.481 -1.924 1.00 0.00 N ATOM 902 CA SER A 143 -0.967 -8.317 -0.768 1.00 0.00 C ATOM 903 C SER A 143 0.402 -8.315 -0.077 1.00 0.00 C ATOM 904 O SER A 143 1.444 -8.292 -0.757 1.00 0.00 O ATOM 905 CB SER A 143 -1.390 -9.710 -1.211 1.00 0.00 C ATOM 906 OG SER A 143 -2.593 -9.621 -1.978 1.00 0.00 O ATOM 0 H SER A 143 -0.977 -7.988 -2.807 1.00 0.00 H new ATOM 0 HA SER A 143 -1.694 -7.951 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.600 -10.170 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.547 -10.348 -0.341 1.00 0.00 H new ATOM 0 HG SER A 143 -2.865 -10.518 -2.265 1.00 0.00 H new