USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 385 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 Single : A 133 MET CE :methyl -130:sc= -0.0698 (180deg=-0.681) USER MOD Single : A 137 ASN : amide:sc= -3.49! C(o=-3.5!,f=-9.7!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 153 TYR OH : rot 63:sc= 0.803 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 38:sc= 0.268 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot 159:sc= -3.72! USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 79:sc= 0.623 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 177 GLN : amide:sc= -3.75! C(o=-3.8!,f=-11!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.053 -4.791 17.854 1.00 0.00 N ATOM 95 CA PHE A 128 2.223 -3.319 17.705 1.00 0.00 C ATOM 96 C PHE A 128 0.885 -2.688 17.313 1.00 0.00 C ATOM 97 O PHE A 128 0.134 -3.238 16.532 1.00 0.00 O ATOM 98 CB PHE A 128 3.260 -3.033 16.618 1.00 0.00 C ATOM 99 CG PHE A 128 4.545 -3.754 16.946 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.504 -3.142 17.761 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.777 -5.037 16.433 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.695 -3.812 18.064 1.00 0.00 C ATOM 103 CE2 PHE A 128 5.968 -5.707 16.737 1.00 0.00 C ATOM 104 CZ PHE A 128 6.928 -5.095 17.553 1.00 0.00 C ATOM 0 HA PHE A 128 2.561 -2.895 18.650 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.885 -3.359 15.648 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.441 -1.960 16.546 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.325 -2.153 18.156 1.00 0.00 H new ATOM 0 HD2 PHE A 128 4.037 -5.509 15.803 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.435 -3.339 18.693 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.147 -6.696 16.342 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.847 -5.612 17.788 1.00 0.00 H new ATOM 114 N GLU A 129 0.582 -1.537 17.847 1.00 0.00 N ATOM 115 CA GLU A 129 -0.706 -0.872 17.504 1.00 0.00 C ATOM 116 C GLU A 129 -0.500 0.643 17.462 1.00 0.00 C ATOM 117 O GLU A 129 0.422 1.170 18.052 1.00 0.00 O ATOM 118 CB GLU A 129 -1.756 -1.215 18.563 1.00 0.00 C ATOM 119 CG GLU A 129 -2.864 -2.057 17.928 1.00 0.00 C ATOM 120 CD GLU A 129 -4.161 -1.874 18.720 1.00 0.00 C ATOM 121 OE1 GLU A 129 -4.130 -2.073 19.923 1.00 0.00 O ATOM 122 OE2 GLU A 129 -5.162 -1.538 18.109 1.00 0.00 O ATOM 0 H GLU A 129 1.171 -1.028 18.506 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.047 -1.221 16.529 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.294 -1.762 19.385 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.175 -0.301 18.984 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.014 -1.758 16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -2.576 -3.108 17.918 1.00 0.00 H new ATOM 129 N PRO A 130 -1.382 1.356 16.745 1.00 0.00 N ATOM 130 CA PRO A 130 -1.303 2.816 16.619 1.00 0.00 C ATOM 131 C PRO A 130 -1.144 3.497 17.982 1.00 0.00 C ATOM 132 O PRO A 130 -1.903 3.255 18.900 1.00 0.00 O ATOM 133 CB PRO A 130 -2.646 3.196 15.999 1.00 0.00 C ATOM 134 CG PRO A 130 -3.567 2.091 16.392 1.00 0.00 C ATOM 135 CD PRO A 130 -2.731 0.845 16.442 1.00 0.00 C ATOM 0 HA PRO A 130 -0.442 3.129 16.028 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.998 4.157 16.373 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.572 3.284 14.915 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -4.024 2.292 17.361 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.379 1.986 15.672 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.082 0.155 17.210 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.754 0.306 15.495 1.00 0.00 H new ATOM 143 N GLY A 131 -0.164 4.349 18.119 1.00 0.00 N ATOM 144 CA GLY A 131 0.041 5.045 19.421 1.00 0.00 C ATOM 145 C GLY A 131 1.094 4.299 20.243 1.00 0.00 C ATOM 146 O GLY A 131 1.473 4.726 21.315 1.00 0.00 O ATOM 0 H GLY A 131 0.503 4.593 17.386 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.361 6.073 19.249 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.899 5.092 19.972 1.00 0.00 H new ATOM 150 N GLU A 132 1.570 3.187 19.753 1.00 0.00 N ATOM 151 CA GLU A 132 2.597 2.418 20.511 1.00 0.00 C ATOM 152 C GLU A 132 3.995 2.853 20.063 1.00 0.00 C ATOM 153 O GLU A 132 4.295 2.898 18.888 1.00 0.00 O ATOM 154 CB GLU A 132 2.417 0.924 20.241 1.00 0.00 C ATOM 155 CG GLU A 132 1.109 0.445 20.872 1.00 0.00 C ATOM 156 CD GLU A 132 1.062 -1.084 20.850 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.947 -1.677 20.255 1.00 0.00 O ATOM 158 OE2 GLU A 132 0.141 -1.637 21.430 1.00 0.00 O ATOM 0 H GLU A 132 1.292 2.778 18.861 1.00 0.00 H new ATOM 0 HA GLU A 132 2.481 2.611 21.577 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.405 0.737 19.167 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.258 0.365 20.653 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.033 0.807 21.897 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.259 0.854 20.326 1.00 0.00 H new ATOM 165 N MET A 133 4.854 3.171 20.994 1.00 0.00 N ATOM 166 CA MET A 133 6.232 3.600 20.620 1.00 0.00 C ATOM 167 C MET A 133 7.060 2.371 20.240 1.00 0.00 C ATOM 168 O MET A 133 6.894 1.302 20.794 1.00 0.00 O ATOM 169 CB MET A 133 6.886 4.309 21.808 1.00 0.00 C ATOM 170 CG MET A 133 8.377 4.500 21.528 1.00 0.00 C ATOM 171 SD MET A 133 9.128 5.444 22.878 1.00 0.00 S ATOM 172 CE MET A 133 8.465 7.064 22.418 1.00 0.00 C ATOM 0 H MET A 133 4.661 3.152 21.995 1.00 0.00 H new ATOM 0 HA MET A 133 6.184 4.283 19.772 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.410 5.275 21.976 1.00 0.00 H new ATOM 0 HB3 MET A 133 6.748 3.723 22.717 1.00 0.00 H new ATOM 0 HG2 MET A 133 8.867 3.531 21.431 1.00 0.00 H new ATOM 0 HG3 MET A 133 8.516 5.024 20.582 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.273 7.795 22.397 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.006 7.002 21.431 1.00 0.00 H new ATOM 0 HE3 MET A 133 7.716 7.371 23.148 1.00 0.00 H new ATOM 182 N VAL A 134 7.952 2.513 19.299 1.00 0.00 N ATOM 183 CA VAL A 134 8.789 1.351 18.885 1.00 0.00 C ATOM 184 C VAL A 134 10.263 1.761 18.884 1.00 0.00 C ATOM 185 O VAL A 134 10.602 2.894 19.164 1.00 0.00 O ATOM 186 CB VAL A 134 8.384 0.906 17.479 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.838 -0.536 17.249 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.863 0.992 17.335 1.00 0.00 C ATOM 0 H VAL A 134 8.138 3.382 18.799 1.00 0.00 H new ATOM 0 HA VAL A 134 8.640 0.528 19.584 1.00 0.00 H new ATOM 0 HB VAL A 134 8.856 1.556 16.742 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.549 -0.853 16.247 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.922 -0.597 17.351 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.367 -1.187 17.985 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.574 0.675 16.333 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.390 0.342 18.072 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.540 2.020 17.498 1.00 0.00 H new ATOM 198 N ARG A 135 11.141 0.849 18.569 1.00 0.00 N ATOM 199 CA ARG A 135 12.591 1.185 18.548 1.00 0.00 C ATOM 200 C ARG A 135 13.211 0.682 17.243 1.00 0.00 C ATOM 201 O ARG A 135 12.884 -0.385 16.761 1.00 0.00 O ATOM 202 CB ARG A 135 13.285 0.515 19.735 1.00 0.00 C ATOM 203 CG ARG A 135 14.728 1.014 19.832 1.00 0.00 C ATOM 204 CD ARG A 135 15.459 0.250 20.938 1.00 0.00 C ATOM 205 NE ARG A 135 16.810 0.845 21.145 1.00 0.00 N ATOM 206 CZ ARG A 135 17.464 0.607 22.249 1.00 0.00 C ATOM 207 NH1 ARG A 135 16.833 0.590 23.391 1.00 0.00 N ATOM 208 NH2 ARG A 135 18.750 0.387 22.211 1.00 0.00 N ATOM 0 H ARG A 135 10.916 -0.115 18.325 1.00 0.00 H new ATOM 0 HA ARG A 135 12.716 2.266 18.616 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.749 0.739 20.657 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.271 -0.568 19.614 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.238 0.872 18.879 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.741 2.083 20.044 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.886 0.293 21.864 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.551 -0.802 20.668 1.00 0.00 H new ATOM 0 HE ARG A 135 17.223 1.437 20.425 1.00 0.00 H new ATOM 0 HH11 ARG A 135 15.828 0.763 23.421 1.00 0.00 H new ATOM 0 HH12 ARG A 135 17.345 0.404 24.254 1.00 0.00 H new ATOM 0 HH21 ARG A 135 19.244 0.401 21.319 1.00 0.00 H new ATOM 0 HH22 ARG A 135 19.261 0.201 23.074 1.00 0.00 H new ATOM 222 N VAL A 136 14.103 1.440 16.666 1.00 0.00 N ATOM 223 CA VAL A 136 14.741 1.000 15.393 1.00 0.00 C ATOM 224 C VAL A 136 16.226 0.723 15.634 1.00 0.00 C ATOM 225 O VAL A 136 16.911 1.482 16.292 1.00 0.00 O ATOM 226 CB VAL A 136 14.592 2.102 14.342 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.140 1.607 13.002 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.112 2.462 14.186 1.00 0.00 C ATOM 0 H VAL A 136 14.417 2.343 17.020 1.00 0.00 H new ATOM 0 HA VAL A 136 14.256 0.091 15.039 1.00 0.00 H new ATOM 0 HB VAL A 136 15.149 2.984 14.659 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.034 2.392 12.253 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.194 1.351 13.112 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.583 0.725 12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.005 3.247 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.555 1.580 13.869 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.721 2.815 15.140 1.00 0.00 H new ATOM 238 N ASN A 137 16.729 -0.360 15.108 1.00 0.00 N ATOM 239 CA ASN A 137 18.170 -0.687 15.308 1.00 0.00 C ATOM 240 C ASN A 137 18.821 -0.978 13.955 1.00 0.00 C ATOM 241 O ASN A 137 19.877 -1.573 13.879 1.00 0.00 O ATOM 242 CB ASN A 137 18.292 -1.917 16.208 1.00 0.00 C ATOM 243 CG ASN A 137 17.614 -3.111 15.533 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.731 -3.294 14.337 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.904 -3.935 16.253 1.00 0.00 N ATOM 0 H ASN A 137 16.205 -1.033 14.548 1.00 0.00 H new ATOM 0 HA ASN A 137 18.673 0.159 15.777 1.00 0.00 H new ATOM 0 HB2 ASN A 137 19.342 -2.140 16.397 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.829 -1.721 17.175 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.447 -4.733 15.812 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.806 -3.781 17.257 1.00 0.00 H new ATOM 252 N ASP A 138 18.199 -0.564 12.884 1.00 0.00 N ATOM 253 CA ASP A 138 18.783 -0.819 11.538 1.00 0.00 C ATOM 254 C ASP A 138 18.595 0.418 10.657 1.00 0.00 C ATOM 255 O ASP A 138 17.812 1.295 10.962 1.00 0.00 O ATOM 256 CB ASP A 138 18.079 -2.016 10.895 1.00 0.00 C ATOM 257 CG ASP A 138 18.410 -3.286 11.681 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.434 -3.299 12.345 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.635 -4.225 11.606 1.00 0.00 O ATOM 0 H ASP A 138 17.312 -0.060 12.884 1.00 0.00 H new ATOM 0 HA ASP A 138 19.847 -1.034 11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.001 -1.854 10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 138 18.397 -2.124 9.858 1.00 0.00 H new ATOM 264 N GLY A 139 19.307 0.495 9.567 1.00 0.00 N ATOM 265 CA GLY A 139 19.168 1.676 8.669 1.00 0.00 C ATOM 266 C GLY A 139 19.481 2.952 9.452 1.00 0.00 C ATOM 267 O GLY A 139 19.661 2.925 10.654 1.00 0.00 O ATOM 0 H GLY A 139 19.979 -0.208 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.845 1.582 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.156 1.723 8.266 1.00 0.00 H new ATOM 271 N PRO A 140 19.545 4.094 8.751 1.00 0.00 N ATOM 272 CA PRO A 140 19.837 5.390 9.376 1.00 0.00 C ATOM 273 C PRO A 140 18.896 5.680 10.549 1.00 0.00 C ATOM 274 O PRO A 140 19.195 6.480 11.413 1.00 0.00 O ATOM 275 CB PRO A 140 19.592 6.394 8.250 1.00 0.00 C ATOM 276 CG PRO A 140 18.630 5.708 7.339 1.00 0.00 C ATOM 277 CD PRO A 140 18.959 4.244 7.408 1.00 0.00 C ATOM 0 HA PRO A 140 20.846 5.428 9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.179 7.327 8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.518 6.644 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.601 5.891 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.726 6.081 6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.070 3.625 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.661 3.952 6.627 1.00 0.00 H new ATOM 285 N PHE A 141 17.762 5.036 10.587 1.00 0.00 N ATOM 286 CA PHE A 141 16.805 5.276 11.705 1.00 0.00 C ATOM 287 C PHE A 141 17.221 4.443 12.920 1.00 0.00 C ATOM 288 O PHE A 141 16.524 4.391 13.914 1.00 0.00 O ATOM 289 CB PHE A 141 15.397 4.871 11.267 1.00 0.00 C ATOM 290 CG PHE A 141 14.980 5.705 10.080 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.315 6.922 10.277 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.257 5.262 8.781 1.00 0.00 C ATOM 293 CE1 PHE A 141 13.929 7.695 9.175 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.870 6.034 7.679 1.00 0.00 C ATOM 295 CZ PHE A 141 14.206 7.251 7.877 1.00 0.00 C ATOM 0 H PHE A 141 17.456 4.354 9.893 1.00 0.00 H new ATOM 0 HA PHE A 141 16.813 6.333 11.969 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.376 3.813 11.007 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.694 5.011 12.089 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.100 7.264 11.279 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.770 4.324 8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.417 8.634 9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.083 5.691 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.907 7.847 7.027 1.00 0.00 H new ATOM 305 N ALA A 142 18.350 3.794 12.850 1.00 0.00 N ATOM 306 CA ALA A 142 18.807 2.968 14.003 1.00 0.00 C ATOM 307 C ALA A 142 19.031 3.868 15.218 1.00 0.00 C ATOM 308 O ALA A 142 19.487 4.989 15.096 1.00 0.00 O ATOM 309 CB ALA A 142 20.117 2.264 13.640 1.00 0.00 C ATOM 0 H ALA A 142 18.976 3.800 12.045 1.00 0.00 H new ATOM 0 HA ALA A 142 18.048 2.222 14.239 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.451 1.660 14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.957 1.621 12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.877 3.009 13.404 1.00 0.00 H new ATOM 315 N ASP A 143 18.715 3.390 16.389 1.00 0.00 N ATOM 316 CA ASP A 143 18.910 4.221 17.611 1.00 0.00 C ATOM 317 C ASP A 143 17.946 5.410 17.577 1.00 0.00 C ATOM 318 O ASP A 143 18.335 6.542 17.789 1.00 0.00 O ATOM 319 CB ASP A 143 20.351 4.734 17.652 1.00 0.00 C ATOM 320 CG ASP A 143 21.313 3.572 17.399 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.903 2.438 17.583 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.444 3.837 17.025 1.00 0.00 O ATOM 0 H ASP A 143 18.330 2.460 16.553 1.00 0.00 H new ATOM 0 HA ASP A 143 18.713 3.618 18.497 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.494 5.509 16.899 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.559 5.188 18.621 1.00 0.00 H new ATOM 327 N PHE A 144 16.693 5.164 17.311 1.00 0.00 N ATOM 328 CA PHE A 144 15.709 6.280 17.264 1.00 0.00 C ATOM 329 C PHE A 144 14.351 5.784 17.766 1.00 0.00 C ATOM 330 O PHE A 144 13.843 4.775 17.318 1.00 0.00 O ATOM 331 CB PHE A 144 15.569 6.776 15.823 1.00 0.00 C ATOM 332 CG PHE A 144 16.732 7.679 15.486 1.00 0.00 C ATOM 333 CD1 PHE A 144 16.715 9.021 15.886 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.826 7.176 14.773 1.00 0.00 C ATOM 335 CE1 PHE A 144 17.793 9.858 15.574 1.00 0.00 C ATOM 336 CE2 PHE A 144 18.904 8.013 14.460 1.00 0.00 C ATOM 337 CZ PHE A 144 18.887 9.356 14.861 1.00 0.00 C ATOM 0 H PHE A 144 16.309 4.238 17.124 1.00 0.00 H new ATOM 0 HA PHE A 144 16.055 7.096 17.898 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.541 5.930 15.137 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.629 7.315 15.702 1.00 0.00 H new ATOM 0 HD1 PHE A 144 15.870 9.410 16.435 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.839 6.141 14.464 1.00 0.00 H new ATOM 0 HE1 PHE A 144 17.780 10.892 15.884 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.748 7.624 13.910 1.00 0.00 H new ATOM 0 HZ PHE A 144 19.718 10.003 14.620 1.00 0.00 H new ATOM 347 N ASN A 145 13.758 6.486 18.693 1.00 0.00 N ATOM 348 CA ASN A 145 12.434 6.055 19.221 1.00 0.00 C ATOM 349 C ASN A 145 11.319 6.708 18.400 1.00 0.00 C ATOM 350 O ASN A 145 11.388 7.872 18.059 1.00 0.00 O ATOM 351 CB ASN A 145 12.304 6.482 20.685 1.00 0.00 C ATOM 352 CG ASN A 145 13.430 5.847 21.503 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.008 4.858 21.098 1.00 0.00 O ATOM 354 ND2 ASN A 145 13.768 6.376 22.648 1.00 0.00 N ATOM 0 H ASN A 145 14.134 7.339 19.107 1.00 0.00 H new ATOM 0 HA ASN A 145 12.351 4.970 19.149 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.351 7.568 20.764 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.335 6.175 21.080 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.517 5.959 23.201 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.284 7.206 22.989 1.00 0.00 H new ATOM 361 N GLY A 146 10.293 5.968 18.079 1.00 0.00 N ATOM 362 CA GLY A 146 9.178 6.549 17.280 1.00 0.00 C ATOM 363 C GLY A 146 7.880 5.803 17.596 1.00 0.00 C ATOM 364 O GLY A 146 7.867 4.857 18.356 1.00 0.00 O ATOM 0 H GLY A 146 10.179 4.987 18.335 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.066 7.609 17.510 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.402 6.475 16.216 1.00 0.00 H new ATOM 368 N VAL A 147 6.787 6.222 17.016 1.00 0.00 N ATOM 369 CA VAL A 147 5.493 5.533 17.283 1.00 0.00 C ATOM 370 C VAL A 147 4.941 4.962 15.976 1.00 0.00 C ATOM 371 O VAL A 147 5.267 5.422 14.900 1.00 0.00 O ATOM 372 CB VAL A 147 4.492 6.533 17.866 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.208 5.798 18.262 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.097 7.201 19.102 1.00 0.00 C ATOM 0 H VAL A 147 6.735 7.010 16.370 1.00 0.00 H new ATOM 0 HA VAL A 147 5.653 4.723 17.995 1.00 0.00 H new ATOM 0 HB VAL A 147 4.262 7.292 17.119 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.495 6.510 18.677 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.775 5.322 17.382 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.439 5.038 19.009 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.384 7.913 19.517 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.328 6.442 19.849 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.011 7.725 18.822 1.00 0.00 H new ATOM 384 N VAL A 148 4.107 3.962 16.058 1.00 0.00 N ATOM 385 CA VAL A 148 3.537 3.363 14.820 1.00 0.00 C ATOM 386 C VAL A 148 2.245 4.093 14.445 1.00 0.00 C ATOM 387 O VAL A 148 1.223 3.933 15.082 1.00 0.00 O ATOM 388 CB VAL A 148 3.232 1.884 15.063 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.396 1.338 13.904 1.00 0.00 C ATOM 390 CG2 VAL A 148 4.544 1.102 15.159 1.00 0.00 C ATOM 0 H VAL A 148 3.796 3.534 16.930 1.00 0.00 H new ATOM 0 HA VAL A 148 4.257 3.459 14.007 1.00 0.00 H new ATOM 0 HB VAL A 148 2.676 1.776 15.994 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.179 0.284 14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.461 1.895 13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.951 1.446 12.972 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.327 0.048 15.332 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.101 1.210 14.228 1.00 0.00 H new ATOM 0 HG23 VAL A 148 5.140 1.491 15.985 1.00 0.00 H new ATOM 400 N GLU A 149 2.283 4.895 13.417 1.00 0.00 N ATOM 401 CA GLU A 149 1.056 5.633 13.003 1.00 0.00 C ATOM 402 C GLU A 149 0.080 4.662 12.336 1.00 0.00 C ATOM 403 O GLU A 149 -1.122 4.815 12.426 1.00 0.00 O ATOM 404 CB GLU A 149 1.435 6.737 12.013 1.00 0.00 C ATOM 405 CG GLU A 149 2.392 7.721 12.690 1.00 0.00 C ATOM 406 CD GLU A 149 2.670 8.894 11.746 1.00 0.00 C ATOM 407 OE1 GLU A 149 2.339 8.780 10.578 1.00 0.00 O ATOM 408 OE2 GLU A 149 3.209 9.885 12.209 1.00 0.00 O ATOM 0 H GLU A 149 3.110 5.071 12.846 1.00 0.00 H new ATOM 0 HA GLU A 149 0.585 6.078 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.906 6.303 11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.540 7.259 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.958 8.085 13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.324 7.219 12.948 1.00 0.00 H new ATOM 415 N GLU A 150 0.588 3.661 11.669 1.00 0.00 N ATOM 416 CA GLU A 150 -0.310 2.678 10.999 1.00 0.00 C ATOM 417 C GLU A 150 0.316 1.285 11.082 1.00 0.00 C ATOM 418 O GLU A 150 1.522 1.135 11.086 1.00 0.00 O ATOM 419 CB GLU A 150 -0.493 3.071 9.532 1.00 0.00 C ATOM 420 CG GLU A 150 -1.535 2.157 8.885 1.00 0.00 C ATOM 421 CD GLU A 150 -1.653 2.490 7.396 1.00 0.00 C ATOM 422 OE1 GLU A 150 -0.941 3.373 6.949 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.456 1.857 6.729 1.00 0.00 O ATOM 0 H GLU A 150 1.586 3.482 11.559 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.281 2.672 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.811 4.111 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 150 0.456 2.991 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -1.248 1.113 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -2.500 2.285 9.375 1.00 0.00 H new ATOM 430 N VAL A 151 -0.492 0.262 11.148 1.00 0.00 N ATOM 431 CA VAL A 151 0.061 -1.119 11.232 1.00 0.00 C ATOM 432 C VAL A 151 -0.530 -1.979 10.112 1.00 0.00 C ATOM 433 O VAL A 151 -1.666 -1.808 9.719 1.00 0.00 O ATOM 434 CB VAL A 151 -0.302 -1.730 12.588 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.382 -3.092 12.731 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.171 -0.802 13.708 1.00 0.00 C ATOM 0 H VAL A 151 -1.510 0.323 11.147 1.00 0.00 H new ATOM 0 HA VAL A 151 1.145 -1.082 11.125 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.383 -1.856 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.125 -3.529 13.696 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.046 -3.753 11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.463 -2.965 12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.087 -1.236 14.674 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.252 -0.676 13.644 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.314 0.169 13.605 1.00 0.00 H new ATOM 446 N ASP A 152 0.234 -2.904 9.596 1.00 0.00 N ATOM 447 CA ASP A 152 -0.285 -3.774 8.504 1.00 0.00 C ATOM 448 C ASP A 152 0.033 -5.236 8.824 1.00 0.00 C ATOM 449 O ASP A 152 1.053 -5.761 8.422 1.00 0.00 O ATOM 450 CB ASP A 152 0.379 -3.384 7.182 1.00 0.00 C ATOM 451 CG ASP A 152 -0.094 -1.990 6.766 1.00 0.00 C ATOM 452 OD1 ASP A 152 -1.057 -1.515 7.344 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.516 -1.421 5.875 1.00 0.00 O ATOM 0 H ASP A 152 1.194 -3.094 9.884 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.364 -3.647 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.464 -3.394 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.129 -4.110 6.409 1.00 0.00 H new ATOM 458 N TYR A 153 -0.830 -5.899 9.543 1.00 0.00 N ATOM 459 CA TYR A 153 -0.574 -7.325 9.889 1.00 0.00 C ATOM 460 C TYR A 153 -0.482 -8.152 8.605 1.00 0.00 C ATOM 461 O TYR A 153 0.345 -9.033 8.480 1.00 0.00 O ATOM 462 CB TYR A 153 -1.720 -7.855 10.754 1.00 0.00 C ATOM 463 CG TYR A 153 -1.796 -7.058 12.034 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.931 -7.352 13.094 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.732 -6.025 12.160 1.00 0.00 C ATOM 466 CE1 TYR A 153 -1.002 -6.613 14.281 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.804 -5.286 13.348 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.938 -5.580 14.408 1.00 0.00 C ATOM 469 OH TYR A 153 -2.009 -4.852 15.579 1.00 0.00 O ATOM 0 H TYR A 153 -1.702 -5.514 9.906 1.00 0.00 H new ATOM 0 HA TYR A 153 0.363 -7.402 10.440 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.663 -7.782 10.212 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.562 -8.910 10.979 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -0.209 -8.149 12.996 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.399 -5.798 11.341 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -0.334 -6.840 15.099 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.527 -4.490 13.446 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.166 -4.372 15.717 1.00 0.00 H new ATOM 479 N GLU A 154 -1.327 -7.877 7.649 1.00 0.00 N ATOM 480 CA GLU A 154 -1.289 -8.649 6.375 1.00 0.00 C ATOM 481 C GLU A 154 0.060 -8.432 5.686 1.00 0.00 C ATOM 482 O GLU A 154 0.643 -9.348 5.142 1.00 0.00 O ATOM 483 CB GLU A 154 -2.414 -8.170 5.456 1.00 0.00 C ATOM 484 CG GLU A 154 -3.766 -8.529 6.076 1.00 0.00 C ATOM 485 CD GLU A 154 -4.889 -8.154 5.106 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.594 -7.520 4.106 1.00 0.00 O ATOM 487 OE2 GLU A 154 -6.024 -8.507 5.380 1.00 0.00 O ATOM 0 H GLU A 154 -2.042 -7.151 7.695 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.420 -9.710 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.344 -7.092 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.318 -8.633 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.804 -9.595 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.896 -8.002 7.021 1.00 0.00 H new ATOM 494 N LYS A 155 0.561 -7.227 5.704 1.00 0.00 N ATOM 495 CA LYS A 155 1.871 -6.955 5.050 1.00 0.00 C ATOM 496 C LYS A 155 3.000 -7.125 6.069 1.00 0.00 C ATOM 497 O LYS A 155 4.157 -6.909 5.768 1.00 0.00 O ATOM 498 CB LYS A 155 1.884 -5.524 4.509 1.00 0.00 C ATOM 499 CG LYS A 155 0.799 -5.373 3.442 1.00 0.00 C ATOM 500 CD LYS A 155 0.861 -3.965 2.846 1.00 0.00 C ATOM 501 CE LYS A 155 -0.294 -3.775 1.861 1.00 0.00 C ATOM 502 NZ LYS A 155 -0.371 -2.343 1.456 1.00 0.00 N ATOM 0 H LYS A 155 0.119 -6.420 6.144 1.00 0.00 H new ATOM 0 HA LYS A 155 2.017 -7.656 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.713 -4.816 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 155 2.861 -5.293 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.939 -6.118 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -0.183 -5.551 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 155 0.802 -3.220 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.814 -3.815 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.145 -4.405 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.233 -4.085 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.156 -2.213 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.532 -1.753 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.521 -2.062 1.002 1.00 0.00 H new ATOM 516 N SER A 156 2.676 -7.510 7.274 1.00 0.00 N ATOM 517 CA SER A 156 3.734 -7.691 8.307 1.00 0.00 C ATOM 518 C SER A 156 4.693 -6.500 8.266 1.00 0.00 C ATOM 519 O SER A 156 5.894 -6.660 8.169 1.00 0.00 O ATOM 520 CB SER A 156 4.509 -8.979 8.022 1.00 0.00 C ATOM 521 OG SER A 156 4.882 -9.014 6.652 1.00 0.00 O ATOM 0 H SER A 156 1.725 -7.707 7.587 1.00 0.00 H new ATOM 0 HA SER A 156 3.274 -7.754 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 156 5.396 -9.029 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 156 3.896 -9.847 8.265 1.00 0.00 H new ATOM 0 HG SER A 156 5.132 -8.113 6.358 1.00 0.00 H new ATOM 527 N ARG A 157 4.174 -5.305 8.340 1.00 0.00 N ATOM 528 CA ARG A 157 5.057 -4.105 8.307 1.00 0.00 C ATOM 529 C ARG A 157 4.595 -3.101 9.363 1.00 0.00 C ATOM 530 O ARG A 157 3.452 -3.099 9.776 1.00 0.00 O ATOM 531 CB ARG A 157 4.986 -3.458 6.921 1.00 0.00 C ATOM 532 CG ARG A 157 6.118 -2.439 6.776 1.00 0.00 C ATOM 533 CD ARG A 157 7.464 -3.164 6.814 1.00 0.00 C ATOM 534 NE ARG A 157 8.093 -3.113 5.464 1.00 0.00 N ATOM 535 CZ ARG A 157 8.644 -2.008 5.042 1.00 0.00 C ATOM 536 NH1 ARG A 157 9.600 -1.450 5.732 1.00 0.00 N ATOM 537 NH2 ARG A 157 8.238 -1.461 3.929 1.00 0.00 N ATOM 0 H ARG A 157 3.177 -5.108 8.422 1.00 0.00 H new ATOM 0 HA ARG A 157 6.084 -4.404 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 157 5.068 -4.221 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 157 4.022 -2.968 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.013 -1.894 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.066 -1.704 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.119 -2.699 7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.323 -4.200 7.122 1.00 0.00 H new ATOM 0 HE ARG A 157 8.093 -3.942 4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 157 9.917 -1.877 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 157 10.030 -0.586 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.490 -1.897 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 157 8.668 -0.597 3.599 1.00 0.00 H new ATOM 551 N LEU A 158 5.477 -2.246 9.806 1.00 0.00 N ATOM 552 CA LEU A 158 5.089 -1.242 10.837 1.00 0.00 C ATOM 553 C LEU A 158 5.312 0.168 10.287 1.00 0.00 C ATOM 554 O LEU A 158 6.399 0.520 9.874 1.00 0.00 O ATOM 555 CB LEU A 158 5.949 -1.441 12.088 1.00 0.00 C ATOM 556 CG LEU A 158 5.487 -2.698 12.829 1.00 0.00 C ATOM 557 CD1 LEU A 158 5.971 -3.940 12.076 1.00 0.00 C ATOM 558 CD2 LEU A 158 6.073 -2.702 14.241 1.00 0.00 C ATOM 0 H LEU A 158 6.448 -2.200 9.499 1.00 0.00 H new ATOM 0 HA LEU A 158 4.037 -1.370 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.999 -1.535 11.810 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.869 -0.571 12.740 1.00 0.00 H new ATOM 0 HG LEU A 158 4.399 -2.706 12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.643 -4.836 12.603 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.556 -3.939 11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 158 7.060 -3.930 12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 158 5.744 -3.597 14.769 1.00 0.00 H new ATOM 0 HD22 LEU A 158 7.161 -2.694 14.183 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.732 -1.818 14.779 1.00 0.00 H new ATOM 570 N LYS A 159 4.289 0.979 10.278 1.00 0.00 N ATOM 571 CA LYS A 159 4.443 2.366 9.754 1.00 0.00 C ATOM 572 C LYS A 159 4.824 3.303 10.902 1.00 0.00 C ATOM 573 O LYS A 159 3.976 3.842 11.586 1.00 0.00 O ATOM 574 CB LYS A 159 3.121 2.828 9.137 1.00 0.00 C ATOM 575 CG LYS A 159 3.324 4.181 8.451 1.00 0.00 C ATOM 576 CD LYS A 159 1.974 4.715 7.966 1.00 0.00 C ATOM 577 CE LYS A 159 2.199 5.962 7.107 1.00 0.00 C ATOM 578 NZ LYS A 159 1.578 7.142 7.773 1.00 0.00 N ATOM 0 H LYS A 159 3.354 0.741 10.610 1.00 0.00 H new ATOM 0 HA LYS A 159 5.224 2.384 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.767 2.092 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.356 2.911 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.779 4.888 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 159 4.009 4.075 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.455 3.951 7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.339 4.957 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 159 3.266 6.131 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 159 1.764 5.819 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 1.730 7.990 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 0.557 6.979 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 2.013 7.282 8.707 1.00 0.00 H new ATOM 592 N VAL A 160 6.095 3.503 11.119 1.00 0.00 N ATOM 593 CA VAL A 160 6.529 4.406 12.223 1.00 0.00 C ATOM 594 C VAL A 160 7.268 5.610 11.633 1.00 0.00 C ATOM 595 O VAL A 160 7.892 5.520 10.596 1.00 0.00 O ATOM 596 CB VAL A 160 7.463 3.645 13.165 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.751 4.502 14.399 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.797 2.337 13.596 1.00 0.00 C ATOM 0 H VAL A 160 6.851 3.081 10.580 1.00 0.00 H new ATOM 0 HA VAL A 160 5.656 4.751 12.778 1.00 0.00 H new ATOM 0 HB VAL A 160 8.398 3.424 12.650 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.417 3.960 15.071 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.225 5.434 14.092 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.816 4.723 14.915 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.462 1.794 14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.862 2.557 14.111 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.592 1.726 12.717 1.00 0.00 H new ATOM 608 N SER A 161 7.201 6.737 12.289 1.00 0.00 N ATOM 609 CA SER A 161 7.898 7.944 11.764 1.00 0.00 C ATOM 610 C SER A 161 8.929 8.422 12.788 1.00 0.00 C ATOM 611 O SER A 161 8.638 8.561 13.959 1.00 0.00 O ATOM 612 CB SER A 161 6.877 9.054 11.512 1.00 0.00 C ATOM 613 OG SER A 161 7.501 10.124 10.819 1.00 0.00 O ATOM 0 H SER A 161 6.695 6.873 13.164 1.00 0.00 H new ATOM 0 HA SER A 161 8.401 7.695 10.830 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.041 8.668 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.469 9.409 12.458 1.00 0.00 H new ATOM 0 HG SER A 161 6.819 10.663 10.367 1.00 0.00 H new ATOM 619 N VAL A 162 10.135 8.675 12.355 1.00 0.00 N ATOM 620 CA VAL A 162 11.184 9.145 13.304 1.00 0.00 C ATOM 621 C VAL A 162 11.371 10.656 13.147 1.00 0.00 C ATOM 622 O VAL A 162 11.501 11.164 12.053 1.00 0.00 O ATOM 623 CB VAL A 162 12.503 8.433 12.999 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.493 8.684 14.138 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.253 6.930 12.862 1.00 0.00 C ATOM 0 H VAL A 162 10.438 8.577 11.386 1.00 0.00 H new ATOM 0 HA VAL A 162 10.878 8.920 14.326 1.00 0.00 H new ATOM 0 HB VAL A 162 12.916 8.818 12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.433 8.177 13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.672 9.755 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.080 8.299 15.071 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.193 6.423 12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.839 6.544 13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.548 6.751 12.050 1.00 0.00 H new ATOM 635 N SER A 163 11.386 11.377 14.235 1.00 0.00 N ATOM 636 CA SER A 163 11.564 12.853 14.147 1.00 0.00 C ATOM 637 C SER A 163 13.040 13.174 13.898 1.00 0.00 C ATOM 638 O SER A 163 13.775 13.498 14.808 1.00 0.00 O ATOM 639 CB SER A 163 11.115 13.500 15.458 1.00 0.00 C ATOM 640 OG SER A 163 11.255 14.910 15.361 1.00 0.00 O ATOM 0 H SER A 163 11.283 11.007 15.180 1.00 0.00 H new ATOM 0 HA SER A 163 10.963 13.244 13.326 1.00 0.00 H new ATOM 0 HB2 SER A 163 10.077 13.240 15.668 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.712 13.120 16.287 1.00 0.00 H new ATOM 0 HG SER A 163 10.966 15.326 16.200 1.00 0.00 H new ATOM 692 N ARG A 167 12.086 17.030 11.972 1.00 0.00 N ATOM 693 CA ARG A 167 10.885 16.753 11.135 1.00 0.00 C ATOM 694 C ARG A 167 10.551 15.261 11.204 1.00 0.00 C ATOM 695 O ARG A 167 11.427 14.420 11.232 1.00 0.00 O ATOM 696 CB ARG A 167 11.171 17.146 9.684 1.00 0.00 C ATOM 697 CG ARG A 167 11.278 18.669 9.581 1.00 0.00 C ATOM 698 CD ARG A 167 11.325 19.078 8.108 1.00 0.00 C ATOM 699 NE ARG A 167 12.457 18.382 7.434 1.00 0.00 N ATOM 700 CZ ARG A 167 12.759 18.670 6.199 1.00 0.00 C ATOM 701 NH1 ARG A 167 11.890 19.281 5.440 1.00 0.00 N ATOM 702 NH2 ARG A 167 13.931 18.350 5.720 1.00 0.00 N ATOM 0 HA ARG A 167 10.040 17.333 11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.097 16.682 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 167 10.376 16.782 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 167 10.426 19.138 10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 167 12.174 19.017 10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 167 10.385 18.823 7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 167 11.446 20.158 8.023 1.00 0.00 H new ATOM 0 HE ARG A 167 12.996 17.679 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 167 10.975 19.533 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 167 12.126 19.506 4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 167 14.611 17.874 6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 167 14.166 18.576 4.753 1.00 0.00 H new ATOM 716 N ALA A 168 9.290 14.926 11.233 1.00 0.00 N ATOM 717 CA ALA A 168 8.903 13.489 11.301 1.00 0.00 C ATOM 718 C ALA A 168 9.273 12.797 9.987 1.00 0.00 C ATOM 719 O ALA A 168 9.188 13.379 8.923 1.00 0.00 O ATOM 720 CB ALA A 168 7.394 13.377 11.528 1.00 0.00 C ATOM 0 H ALA A 168 8.512 15.585 11.213 1.00 0.00 H new ATOM 0 HA ALA A 168 9.432 13.010 12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.111 12.326 11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.129 13.869 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.866 13.857 10.704 1.00 0.00 H new ATOM 726 N THR A 169 9.683 11.560 10.051 1.00 0.00 N ATOM 727 CA THR A 169 10.059 10.833 8.805 1.00 0.00 C ATOM 728 C THR A 169 9.310 9.501 8.748 1.00 0.00 C ATOM 729 O THR A 169 9.881 8.449 8.956 1.00 0.00 O ATOM 730 CB THR A 169 11.566 10.572 8.801 1.00 0.00 C ATOM 731 OG1 THR A 169 12.244 11.710 9.316 1.00 0.00 O ATOM 732 CG2 THR A 169 12.035 10.299 7.371 1.00 0.00 C ATOM 0 H THR A 169 9.774 11.021 10.912 1.00 0.00 H new ATOM 0 HA THR A 169 9.794 11.437 7.937 1.00 0.00 H new ATOM 0 HB THR A 169 11.786 9.705 9.424 1.00 0.00 H new ATOM 0 HG1 THR A 169 12.184 11.712 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.109 10.113 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.515 9.425 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.816 11.164 6.745 1.00 0.00 H new ATOM 740 N PRO A 170 8.002 9.552 8.458 1.00 0.00 N ATOM 741 CA PRO A 170 7.164 8.349 8.369 1.00 0.00 C ATOM 742 C PRO A 170 7.807 7.272 7.491 1.00 0.00 C ATOM 743 O PRO A 170 7.834 7.379 6.281 1.00 0.00 O ATOM 744 CB PRO A 170 5.878 8.856 7.717 1.00 0.00 C ATOM 745 CG PRO A 170 6.294 10.065 6.952 1.00 0.00 C ATOM 746 CD PRO A 170 7.415 10.693 7.733 1.00 0.00 C ATOM 0 HA PRO A 170 7.009 7.885 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.443 8.102 7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.124 9.101 8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.622 9.796 5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.462 10.760 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.143 11.171 7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.049 11.459 8.417 1.00 0.00 H new ATOM 754 N VAL A 171 8.322 6.235 8.091 1.00 0.00 N ATOM 755 CA VAL A 171 8.962 5.154 7.290 1.00 0.00 C ATOM 756 C VAL A 171 8.470 3.794 7.789 1.00 0.00 C ATOM 757 O VAL A 171 8.083 3.644 8.931 1.00 0.00 O ATOM 758 CB VAL A 171 10.481 5.237 7.442 1.00 0.00 C ATOM 759 CG1 VAL A 171 10.959 6.633 7.036 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.863 4.971 8.900 1.00 0.00 C ATOM 0 H VAL A 171 8.327 6.089 9.101 1.00 0.00 H new ATOM 0 HA VAL A 171 8.698 5.273 6.239 1.00 0.00 H new ATOM 0 HB VAL A 171 10.951 4.491 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.042 6.693 7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.687 6.823 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.489 7.379 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.946 5.030 9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.393 5.716 9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.523 3.977 9.190 1.00 0.00 H new ATOM 770 N GLU A 172 8.482 2.801 6.942 1.00 0.00 N ATOM 771 CA GLU A 172 8.014 1.453 7.370 1.00 0.00 C ATOM 772 C GLU A 172 9.219 0.594 7.759 1.00 0.00 C ATOM 773 O GLU A 172 10.224 0.572 7.076 1.00 0.00 O ATOM 774 CB GLU A 172 7.263 0.785 6.216 1.00 0.00 C ATOM 775 CG GLU A 172 6.058 1.643 5.827 1.00 0.00 C ATOM 776 CD GLU A 172 5.261 0.937 4.728 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.745 -0.064 4.225 1.00 0.00 O ATOM 778 OE2 GLU A 172 4.182 1.409 4.409 1.00 0.00 O ATOM 0 H GLU A 172 8.795 2.865 5.973 1.00 0.00 H new ATOM 0 HA GLU A 172 7.349 1.554 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.926 0.661 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.933 -0.211 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.424 1.814 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.392 2.620 5.478 1.00 0.00 H new ATOM 785 N LEU A 173 9.127 -0.114 8.851 1.00 0.00 N ATOM 786 CA LEU A 173 10.267 -0.971 9.282 1.00 0.00 C ATOM 787 C LEU A 173 9.780 -2.410 9.468 1.00 0.00 C ATOM 788 O LEU A 173 8.601 -2.661 9.625 1.00 0.00 O ATOM 789 CB LEU A 173 10.829 -0.447 10.606 1.00 0.00 C ATOM 790 CG LEU A 173 11.127 1.048 10.476 1.00 0.00 C ATOM 791 CD1 LEU A 173 11.854 1.534 11.731 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.009 1.289 9.249 1.00 0.00 C ATOM 0 H LEU A 173 8.312 -0.136 9.463 1.00 0.00 H new ATOM 0 HA LEU A 173 11.048 -0.946 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.113 -0.618 11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.738 -0.989 10.868 1.00 0.00 H new ATOM 0 HG LEU A 173 10.192 1.596 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.067 2.599 11.639 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.225 1.364 12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 173 12.789 0.986 11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.221 2.354 9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 173 12.945 0.741 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.490 0.944 8.355 1.00 0.00 H new ATOM 804 N ASP A 174 10.676 -3.358 9.451 1.00 0.00 N ATOM 805 CA ASP A 174 10.262 -4.778 9.625 1.00 0.00 C ATOM 806 C ASP A 174 10.126 -5.092 11.117 1.00 0.00 C ATOM 807 O ASP A 174 10.655 -4.396 11.960 1.00 0.00 O ATOM 808 CB ASP A 174 11.316 -5.696 9.005 1.00 0.00 C ATOM 809 CG ASP A 174 11.334 -5.500 7.488 1.00 0.00 C ATOM 810 OD1 ASP A 174 10.386 -4.931 6.972 1.00 0.00 O ATOM 811 OD2 ASP A 174 12.297 -5.922 6.867 1.00 0.00 O ATOM 0 H ASP A 174 11.677 -3.210 9.324 1.00 0.00 H new ATOM 0 HA ASP A 174 9.304 -4.939 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 174 12.298 -5.474 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 174 11.095 -6.736 9.245 1.00 0.00 H new ATOM 816 N PHE A 175 9.418 -6.137 11.447 1.00 0.00 N ATOM 817 CA PHE A 175 9.244 -6.498 12.883 1.00 0.00 C ATOM 818 C PHE A 175 10.615 -6.613 13.552 1.00 0.00 C ATOM 819 O PHE A 175 10.856 -6.044 14.598 1.00 0.00 O ATOM 820 CB PHE A 175 8.515 -7.840 12.984 1.00 0.00 C ATOM 821 CG PHE A 175 7.027 -7.618 12.856 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.523 -6.828 11.816 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.150 -8.203 13.778 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.144 -6.622 11.698 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.770 -7.998 13.659 1.00 0.00 C ATOM 826 CZ PHE A 175 4.267 -7.207 12.620 1.00 0.00 C ATOM 0 H PHE A 175 8.952 -6.757 10.784 1.00 0.00 H new ATOM 0 HA PHE A 175 8.660 -5.726 13.383 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.861 -8.514 12.200 1.00 0.00 H new ATOM 0 HB3 PHE A 175 8.741 -8.318 13.937 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.199 -6.377 11.104 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.538 -8.812 14.581 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.756 -6.012 10.896 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.094 -8.450 14.369 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.203 -7.048 12.529 1.00 0.00 H new ATOM 836 N SER A 176 11.518 -7.347 12.958 1.00 0.00 N ATOM 837 CA SER A 176 12.871 -7.498 13.562 1.00 0.00 C ATOM 838 C SER A 176 13.672 -6.211 13.352 1.00 0.00 C ATOM 839 O SER A 176 14.588 -5.911 14.092 1.00 0.00 O ATOM 840 CB SER A 176 13.601 -8.666 12.894 1.00 0.00 C ATOM 841 OG SER A 176 12.772 -9.818 12.921 1.00 0.00 O ATOM 0 H SER A 176 11.376 -7.848 12.081 1.00 0.00 H new ATOM 0 HA SER A 176 12.771 -7.694 14.630 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.854 -8.410 11.865 1.00 0.00 H new ATOM 0 HB3 SER A 176 14.539 -8.867 13.412 1.00 0.00 H new ATOM 0 HG SER A 176 13.238 -10.566 12.492 1.00 0.00 H new ATOM 847 N GLN A 177 13.333 -5.446 12.350 1.00 0.00 N ATOM 848 CA GLN A 177 14.076 -4.180 12.096 1.00 0.00 C ATOM 849 C GLN A 177 13.862 -3.220 13.269 1.00 0.00 C ATOM 850 O GLN A 177 14.691 -2.378 13.552 1.00 0.00 O ATOM 851 CB GLN A 177 13.559 -3.534 10.809 1.00 0.00 C ATOM 852 CG GLN A 177 14.435 -2.331 10.456 1.00 0.00 C ATOM 853 CD GLN A 177 13.889 -1.656 9.195 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.975 -2.157 8.572 1.00 0.00 O ATOM 855 NE2 GLN A 177 14.416 -0.533 8.791 1.00 0.00 N ATOM 0 H GLN A 177 12.574 -5.643 11.697 1.00 0.00 H new ATOM 0 HA GLN A 177 15.139 -4.397 11.992 1.00 0.00 H new ATOM 0 HB2 GLN A 177 13.572 -4.259 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 177 12.524 -3.218 10.938 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.449 -1.622 11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 177 15.464 -2.652 10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 177 15.184 -0.112 9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 177 14.060 -0.076 7.952 1.00 0.00 H new ATOM 864 N VAL A 178 12.758 -3.341 13.952 1.00 0.00 N ATOM 865 CA VAL A 178 12.493 -2.436 15.105 1.00 0.00 C ATOM 866 C VAL A 178 12.138 -3.270 16.337 1.00 0.00 C ATOM 867 O VAL A 178 11.786 -4.428 16.235 1.00 0.00 O ATOM 868 CB VAL A 178 11.326 -1.506 14.764 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.610 -0.792 13.442 1.00 0.00 C ATOM 870 CG2 VAL A 178 10.041 -2.326 14.635 1.00 0.00 C ATOM 0 H VAL A 178 12.028 -4.027 13.762 1.00 0.00 H new ATOM 0 HA VAL A 178 13.383 -1.842 15.314 1.00 0.00 H new ATOM 0 HB VAL A 178 11.208 -0.767 15.557 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.778 -0.130 13.200 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.525 -0.207 13.534 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.729 -1.530 12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.210 -1.664 14.392 1.00 0.00 H new ATOM 0 HG22 VAL A 178 10.159 -3.066 13.843 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.837 -2.834 15.578 1.00 0.00 H new ATOM 880 N GLU A 179 12.230 -2.691 17.504 1.00 0.00 N ATOM 881 CA GLU A 179 11.898 -3.452 18.741 1.00 0.00 C ATOM 882 C GLU A 179 10.719 -2.783 19.451 1.00 0.00 C ATOM 883 O GLU A 179 10.550 -1.581 19.395 1.00 0.00 O ATOM 884 CB GLU A 179 13.112 -3.467 19.672 1.00 0.00 C ATOM 885 CG GLU A 179 14.350 -3.907 18.886 1.00 0.00 C ATOM 886 CD GLU A 179 15.522 -4.104 19.850 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.425 -3.637 20.973 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.496 -4.718 19.448 1.00 0.00 O ATOM 0 H GLU A 179 12.521 -1.725 17.653 1.00 0.00 H new ATOM 0 HA GLU A 179 11.630 -4.475 18.477 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.271 -2.476 20.097 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.936 -4.147 20.506 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.144 -4.835 18.352 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.604 -3.157 18.136 1.00 0.00 H new ATOM 895 N LYS A 180 9.903 -3.552 20.117 1.00 0.00 N ATOM 896 CA LYS A 180 8.734 -2.959 20.828 1.00 0.00 C ATOM 897 C LYS A 180 9.230 -2.086 21.983 1.00 0.00 C ATOM 898 O LYS A 180 10.053 -2.497 22.776 1.00 0.00 O ATOM 899 CB LYS A 180 7.851 -4.081 21.378 1.00 0.00 C ATOM 900 CG LYS A 180 6.497 -3.505 21.795 1.00 0.00 C ATOM 901 CD LYS A 180 5.591 -4.637 22.288 1.00 0.00 C ATOM 902 CE LYS A 180 4.181 -4.094 22.527 1.00 0.00 C ATOM 903 NZ LYS A 180 3.764 -4.395 23.925 1.00 0.00 N ATOM 0 H LYS A 180 9.994 -4.565 20.200 1.00 0.00 H new ATOM 0 HA LYS A 180 8.156 -2.349 20.134 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.712 -4.853 20.621 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.336 -4.554 22.232 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.632 -2.764 22.583 1.00 0.00 H new ATOM 0 HG3 LYS A 180 6.032 -2.994 20.952 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.563 -5.441 21.553 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.990 -5.061 23.209 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.160 -3.018 22.353 1.00 0.00 H new ATOM 0 HE3 LYS A 180 3.482 -4.545 21.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 2.805 -4.026 24.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.769 -5.424 24.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 4.426 -3.945 24.589 1.00 0.00 H new ATOM 917 N ALA A 181 8.734 -0.883 22.084 1.00 0.00 N ATOM 918 CA ALA A 181 9.176 0.015 23.188 1.00 0.00 C ATOM 919 C ALA A 181 8.382 -0.307 24.456 1.00 0.00 C ATOM 920 O ALA A 181 7.366 0.299 24.733 1.00 0.00 O ATOM 921 CB ALA A 181 8.930 1.471 22.788 1.00 0.00 C ATOM 0 H ALA A 181 8.042 -0.483 21.450 1.00 0.00 H new ATOM 0 HA ALA A 181 10.239 -0.136 23.377 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.253 2.129 23.595 1.00 0.00 H new ATOM 0 HB2 ALA A 181 9.495 1.700 21.884 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.867 1.622 22.600 1.00 0.00 H new