USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 269 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 261 THR OG1 : rot 116:sc= -1.31 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.45! K(o=-2.8!,f=1.8) USER MOD Set 2.1: A 242 GLN : amide:sc= -0.119 K(o=-0.081,f=-2.1) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 247 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.88) USER MOD Single : A 249 GLN : amide:sc= -5.06! C(o=-5.1!,f=-2!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS : no HD1:sc= -6.2! C(o=-6.2!,f=-3.4!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0.00047 USER MOD Single : A 260 SER OG : rot 43:sc= 0.0137 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.855 4.357 1.007 1.00 15.00 N ATOM 17 CA LEU A 236 10.517 3.106 1.674 1.00 15.00 C ATOM 18 C LEU A 236 11.581 2.063 1.338 1.00 15.00 C ATOM 19 O LEU A 236 12.528 2.364 0.611 1.00 15.00 O ATOM 20 CB LEU A 236 9.134 2.591 1.209 1.00 15.00 C ATOM 21 CG LEU A 236 7.968 3.586 1.254 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.990 4.384 2.545 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.977 4.504 0.041 1.00 15.00 C ATOM 0 HA LEU A 236 10.479 3.279 2.750 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.233 2.232 0.185 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.869 1.731 1.824 1.00 15.00 H new ATOM 0 HG LEU A 236 7.040 3.015 1.226 1.00 15.00 H new ATOM 0 HD11 LEU A 236 7.154 5.083 2.555 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.905 3.705 3.394 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.927 4.937 2.615 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.138 5.197 0.103 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.911 5.066 0.017 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.889 3.908 -0.867 1.00 15.00 H new ATOM 35 N PRO A 237 11.465 0.832 1.863 1.00 15.00 N ATOM 36 CA PRO A 237 12.266 -0.285 1.369 1.00 15.00 C ATOM 37 C PRO A 237 11.819 -0.678 -0.027 1.00 15.00 C ATOM 38 O PRO A 237 10.707 -0.360 -0.460 1.00 15.00 O ATOM 39 CB PRO A 237 11.986 -1.416 2.370 1.00 15.00 C ATOM 40 CG PRO A 237 11.361 -0.752 3.552 1.00 15.00 C ATOM 41 CD PRO A 237 10.631 0.442 3.013 1.00 15.00 C ATOM 0 HA PRO A 237 13.327 -0.046 1.297 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.319 -2.164 1.941 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.905 -1.931 2.649 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.678 -1.429 4.065 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.117 -0.453 4.278 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.614 0.194 2.711 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.558 1.241 3.751 1.00 15.00 H new ATOM 49 N GLU A 238 12.680 -1.397 -0.706 1.00 15.00 N ATOM 50 CA GLU A 238 12.494 -1.692 -2.119 1.00 15.00 C ATOM 51 C GLU A 238 11.326 -2.649 -2.335 1.00 15.00 C ATOM 52 O GLU A 238 11.261 -3.720 -1.731 1.00 15.00 O ATOM 53 CB GLU A 238 13.775 -2.312 -2.684 1.00 15.00 C ATOM 54 CG GLU A 238 13.731 -2.562 -4.182 1.00 15.00 C ATOM 55 CD GLU A 238 13.679 -1.279 -4.982 1.00 15.00 C ATOM 56 OE1 GLU A 238 14.754 -0.700 -5.247 1.00 15.00 O ATOM 57 OE2 GLU A 238 12.569 -0.847 -5.356 1.00 15.00 O1- ATOM 0 H GLU A 238 13.528 -1.796 -0.303 1.00 15.00 H new ATOM 0 HA GLU A 238 12.271 -0.759 -2.637 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.615 -1.654 -2.460 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.965 -3.256 -2.174 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.610 -3.135 -4.477 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.859 -3.171 -4.420 1.00 15.00 H new ATOM 64 N GLY A 239 10.399 -2.242 -3.195 1.00 15.00 N ATOM 65 CA GLY A 239 9.285 -3.097 -3.542 1.00 15.00 C ATOM 66 C GLY A 239 7.928 -2.449 -3.325 1.00 15.00 C ATOM 67 O GLY A 239 6.919 -2.956 -3.815 1.00 15.00 O ATOM 0 H GLY A 239 10.401 -1.333 -3.658 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.375 -3.390 -4.588 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.341 -4.010 -2.950 1.00 15.00 H new ATOM 71 N TYR A 240 7.884 -1.349 -2.584 1.00 15.00 N ATOM 72 CA TYR A 240 6.611 -0.689 -2.295 1.00 15.00 C ATOM 73 C TYR A 240 6.408 0.511 -3.203 1.00 15.00 C ATOM 74 O TYR A 240 7.328 1.305 -3.409 1.00 15.00 O ATOM 75 CB TYR A 240 6.555 -0.181 -0.844 1.00 15.00 C ATOM 76 CG TYR A 240 6.855 -1.222 0.198 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.082 -1.250 0.834 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.916 -2.180 0.534 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.374 -2.215 1.772 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.193 -3.150 1.472 1.00 15.00 C ATOM 81 CZ TYR A 240 7.428 -3.169 2.086 1.00 15.00 C ATOM 82 OH TYR A 240 7.711 -4.142 3.014 1.00 15.00 O ATOM 0 H TYR A 240 8.702 -0.897 -2.175 1.00 15.00 H new ATOM 0 HA TYR A 240 5.832 -1.434 -2.459 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.264 0.639 -0.733 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.562 0.228 -0.655 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.823 -0.503 0.591 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.949 -2.167 0.053 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.338 -2.225 2.259 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.448 -3.890 1.725 1.00 15.00 H new ATOM 0 HH TYR A 240 6.935 -4.732 3.117 1.00 15.00 H new ATOM 92 N GLU A 241 5.203 0.653 -3.722 1.00 15.00 N ATOM 93 CA GLU A 241 4.810 1.877 -4.392 1.00 15.00 C ATOM 94 C GLU A 241 3.871 2.654 -3.479 1.00 15.00 C ATOM 95 O GLU A 241 3.087 2.060 -2.731 1.00 15.00 O ATOM 96 CB GLU A 241 4.133 1.585 -5.738 1.00 15.00 C ATOM 97 CG GLU A 241 2.852 0.778 -5.631 1.00 15.00 C ATOM 98 CD GLU A 241 2.103 0.719 -6.945 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.031 1.349 -7.056 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.593 0.063 -7.886 1.00 15.00 O1- ATOM 0 H GLU A 241 4.479 -0.065 -3.692 1.00 15.00 H new ATOM 0 HA GLU A 241 5.700 2.470 -4.601 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.913 2.531 -6.233 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.835 1.047 -6.375 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.088 -0.234 -5.304 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.210 1.218 -4.868 1.00 15.00 H new ATOM 107 N GLN A 242 3.940 3.973 -3.532 1.00 15.00 N ATOM 108 CA GLN A 242 3.055 4.788 -2.722 1.00 15.00 C ATOM 109 C GLN A 242 1.796 5.058 -3.519 1.00 15.00 C ATOM 110 O GLN A 242 1.818 5.769 -4.525 1.00 15.00 O ATOM 111 CB GLN A 242 3.732 6.103 -2.305 1.00 15.00 C ATOM 112 CG GLN A 242 3.061 6.816 -1.130 1.00 15.00 C ATOM 113 CD GLN A 242 1.721 7.450 -1.469 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.495 7.910 -2.585 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.817 7.470 -0.498 1.00 15.00 N ATOM 0 H GLN A 242 4.590 4.496 -4.119 1.00 15.00 H new ATOM 0 HA GLN A 242 2.807 4.255 -1.804 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.770 5.896 -2.043 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.748 6.777 -3.162 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.918 6.101 -0.320 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.732 7.590 -0.757 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.042 7.078 0.416 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.103 7.877 -0.666 1.00 15.00 H new ATOM 124 N ARG A 243 0.709 4.446 -3.096 1.00 15.00 N ATOM 125 CA ARG A 243 -0.546 4.606 -3.791 1.00 15.00 C ATOM 126 C ARG A 243 -1.585 5.263 -2.899 1.00 15.00 C ATOM 127 O ARG A 243 -1.695 4.966 -1.708 1.00 15.00 O ATOM 128 CB ARG A 243 -1.057 3.268 -4.319 1.00 15.00 C ATOM 129 CG ARG A 243 -2.333 3.420 -5.121 1.00 15.00 C ATOM 130 CD ARG A 243 -2.596 2.234 -6.025 1.00 15.00 C ATOM 131 NE ARG A 243 -3.803 2.439 -6.821 1.00 15.00 N ATOM 132 CZ ARG A 243 -3.949 3.366 -7.773 1.00 15.00 C ATOM 133 NH1 ARG A 243 -2.951 4.174 -8.093 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.097 3.462 -8.430 1.00 15.00 N ATOM 0 H ARG A 243 0.671 3.837 -2.279 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.370 5.261 -4.644 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.290 2.809 -4.943 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.234 2.593 -3.482 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.174 3.546 -4.439 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.273 4.326 -5.724 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.743 2.080 -6.685 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -2.702 1.331 -5.424 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.597 1.827 -6.636 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.056 4.094 -7.611 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.077 4.877 -8.822 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -5.866 2.829 -8.208 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.211 4.168 -9.157 1.00 15.00 H new ATOM 148 N THR A 244 -2.365 6.128 -3.511 1.00 15.00 N ATOM 149 CA THR A 244 -3.369 6.907 -2.826 1.00 15.00 C ATOM 150 C THR A 244 -4.617 6.968 -3.689 1.00 15.00 C ATOM 151 O THR A 244 -4.582 7.481 -4.805 1.00 15.00 O ATOM 152 CB THR A 244 -2.871 8.340 -2.549 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.571 8.299 -1.942 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.842 9.087 -1.645 1.00 15.00 C ATOM 0 H THR A 244 -2.317 6.311 -4.513 1.00 15.00 H new ATOM 0 HA THR A 244 -3.587 6.431 -1.870 1.00 15.00 H new ATOM 0 HB THR A 244 -2.809 8.870 -3.499 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.261 9.213 -1.770 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.469 10.095 -1.464 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.818 9.142 -2.127 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.935 8.559 -0.696 1.00 15.00 H new ATOM 162 N THR A 245 -5.700 6.425 -3.183 1.00 15.00 N ATOM 163 CA THR A 245 -6.950 6.407 -3.913 1.00 15.00 C ATOM 164 C THR A 245 -7.758 7.658 -3.596 1.00 15.00 C ATOM 165 O THR A 245 -7.618 8.232 -2.514 1.00 15.00 O ATOM 166 CB THR A 245 -7.763 5.129 -3.598 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.061 5.179 -4.202 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.910 4.922 -2.100 1.00 15.00 C ATOM 0 H THR A 245 -5.742 5.987 -2.263 1.00 15.00 H new ATOM 0 HA THR A 245 -6.726 6.398 -4.980 1.00 15.00 H new ATOM 0 HB THR A 245 -7.209 4.288 -4.016 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.553 4.359 -3.989 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.486 4.016 -1.913 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.923 4.825 -1.648 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.426 5.777 -1.664 1.00 15.00 H new ATOM 176 N VAL A 246 -8.564 8.095 -4.567 1.00 15.00 N ATOM 177 CA VAL A 246 -9.432 9.271 -4.422 1.00 15.00 C ATOM 178 C VAL A 246 -10.258 9.190 -3.138 1.00 15.00 C ATOM 179 O VAL A 246 -10.730 10.197 -2.610 1.00 15.00 O ATOM 180 CB VAL A 246 -10.378 9.387 -5.632 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.459 8.317 -5.595 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.986 10.778 -5.727 1.00 15.00 C ATOM 0 H VAL A 246 -8.635 7.644 -5.479 1.00 15.00 H new ATOM 0 HA VAL A 246 -8.793 10.153 -4.372 1.00 15.00 H new ATOM 0 HB VAL A 246 -9.782 9.224 -6.530 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.110 8.427 -6.463 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -10.995 7.331 -5.612 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -12.048 8.426 -4.684 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -11.649 10.827 -6.591 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -11.555 10.989 -4.821 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -10.191 11.516 -5.837 1.00 15.00 H new ATOM 192 N GLN A 247 -10.419 7.964 -2.668 1.00 15.00 N ATOM 193 CA GLN A 247 -11.036 7.668 -1.379 1.00 15.00 C ATOM 194 C GLN A 247 -10.428 8.514 -0.249 1.00 15.00 C ATOM 195 O GLN A 247 -11.054 8.725 0.789 1.00 15.00 O ATOM 196 CB GLN A 247 -10.845 6.180 -1.074 1.00 15.00 C ATOM 197 CG GLN A 247 -11.446 5.727 0.242 1.00 15.00 C ATOM 198 CD GLN A 247 -12.960 5.709 0.220 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.610 6.004 1.223 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.527 5.314 -0.908 1.00 15.00 N ATOM 0 H GLN A 247 -10.121 7.132 -3.177 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.096 7.914 -1.437 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.288 5.597 -1.881 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.778 5.957 -1.068 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -11.079 4.729 0.479 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -11.107 6.389 1.038 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.949 5.079 -1.715 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.543 5.244 -0.971 1.00 15.00 H new ATOM 209 N GLY A 248 -9.194 8.967 -0.444 1.00 15.00 N ATOM 210 CA GLY A 248 -8.534 9.797 0.543 1.00 15.00 C ATOM 211 C GLY A 248 -7.576 9.001 1.398 1.00 15.00 C ATOM 212 O GLY A 248 -6.699 9.558 2.060 1.00 15.00 O ATOM 0 H GLY A 248 -8.637 8.771 -1.276 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -7.992 10.598 0.040 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.282 10.269 1.179 1.00 15.00 H new ATOM 216 N GLN A 249 -7.733 7.689 1.362 1.00 15.00 N ATOM 217 CA GLN A 249 -6.939 6.793 2.185 1.00 15.00 C ATOM 218 C GLN A 249 -5.825 6.177 1.348 1.00 15.00 C ATOM 219 O GLN A 249 -6.053 5.748 0.215 1.00 15.00 O ATOM 220 CB GLN A 249 -7.839 5.699 2.763 1.00 15.00 C ATOM 221 CG GLN A 249 -9.173 6.224 3.240 1.00 15.00 C ATOM 222 CD GLN A 249 -10.210 5.150 3.530 1.00 15.00 C ATOM 223 OE1 GLN A 249 -11.009 5.281 4.455 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.261 4.122 2.699 1.00 15.00 N ATOM 0 H GLN A 249 -8.411 7.216 0.764 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.490 7.352 3.006 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -8.006 4.935 2.004 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.326 5.216 3.595 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.015 6.811 4.145 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.573 6.902 2.486 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -9.582 4.044 1.942 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.979 3.407 2.815 1.00 15.00 H new ATOM 233 N VAL A 250 -4.627 6.128 1.901 1.00 15.00 N ATOM 234 CA VAL A 250 -3.483 5.574 1.191 1.00 15.00 C ATOM 235 C VAL A 250 -3.362 4.079 1.460 1.00 15.00 C ATOM 236 O VAL A 250 -3.655 3.615 2.561 1.00 15.00 O ATOM 237 CB VAL A 250 -2.162 6.272 1.600 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.218 7.758 1.286 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.861 6.059 3.076 1.00 15.00 C ATOM 0 H VAL A 250 -4.418 6.465 2.841 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.651 5.746 0.128 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.357 5.822 1.019 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.280 8.228 1.582 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.373 7.898 0.216 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -3.041 8.215 1.835 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.928 6.560 3.333 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.672 6.472 3.676 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.767 4.992 3.278 1.00 15.00 H new ATOM 249 N TYR A 251 -2.951 3.323 0.456 1.00 15.00 N ATOM 250 CA TYR A 251 -2.685 1.912 0.653 1.00 15.00 C ATOM 251 C TYR A 251 -1.378 1.517 -0.026 1.00 15.00 C ATOM 252 O TYR A 251 -1.199 1.713 -1.230 1.00 15.00 O ATOM 253 CB TYR A 251 -3.894 1.030 0.246 1.00 15.00 C ATOM 254 CG TYR A 251 -4.455 1.153 -1.171 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.922 0.460 -2.273 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.623 1.880 -1.377 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.528 0.503 -3.498 1.00 15.00 C ATOM 258 CE2 TYR A 251 -6.222 1.941 -2.615 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.684 1.253 -3.673 1.00 15.00 C ATOM 260 OH TYR A 251 -6.317 1.300 -4.900 1.00 15.00 O ATOM 0 H TYR A 251 -2.796 3.660 -0.494 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.551 1.728 1.719 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.608 -0.011 0.398 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.706 1.243 0.941 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -3.017 -0.117 -2.149 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -6.070 2.408 -0.548 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -4.108 -0.045 -4.328 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -7.116 2.531 -2.753 1.00 15.00 H new ATOM 0 HH TYR A 251 -7.110 1.872 -4.837 1.00 15.00 H new ATOM 270 N PHE A 252 -0.468 0.956 0.768 1.00 15.00 N ATOM 271 CA PHE A 252 0.895 0.684 0.323 1.00 15.00 C ATOM 272 C PHE A 252 0.994 -0.686 -0.290 1.00 15.00 C ATOM 273 O PHE A 252 0.869 -1.697 0.400 1.00 15.00 O ATOM 274 CB PHE A 252 1.876 0.765 1.490 1.00 15.00 C ATOM 275 CG PHE A 252 2.245 2.169 1.867 1.00 15.00 C ATOM 276 CD1 PHE A 252 1.830 2.715 3.072 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.999 2.949 1.008 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.160 4.010 3.409 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.337 4.242 1.343 1.00 15.00 C ATOM 280 CZ PHE A 252 2.916 4.775 2.544 1.00 15.00 C ATOM 0 H PHE A 252 -0.654 0.679 1.732 1.00 15.00 H new ATOM 0 HA PHE A 252 1.149 1.439 -0.421 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.439 0.268 2.356 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.782 0.217 1.231 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.242 2.119 3.754 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.326 2.539 0.064 1.00 15.00 H new ATOM 0 HE1 PHE A 252 1.827 4.426 4.349 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.931 4.838 0.666 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.178 5.789 2.807 1.00 15.00 H new ATOM 290 N LEU A 253 1.204 -0.714 -1.593 1.00 15.00 N ATOM 291 CA LEU A 253 1.217 -1.960 -2.323 1.00 15.00 C ATOM 292 C LEU A 253 2.598 -2.386 -2.773 1.00 15.00 C ATOM 293 O LEU A 253 3.386 -1.616 -3.322 1.00 15.00 O ATOM 294 CB LEU A 253 0.188 -1.956 -3.464 1.00 15.00 C ATOM 295 CG LEU A 253 -1.182 -2.491 -3.048 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.229 -3.984 -3.327 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.423 -2.199 -1.578 1.00 15.00 C ATOM 0 H LEU A 253 1.368 0.115 -2.165 1.00 15.00 H new ATOM 0 HA LEU A 253 0.908 -2.731 -1.617 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.074 -0.938 -3.837 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.569 -2.557 -4.289 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.970 -2.000 -3.620 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.202 -4.378 -3.034 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -1.071 -4.160 -4.391 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.448 -4.486 -2.756 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.401 -2.582 -1.286 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.651 -2.682 -0.980 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.391 -1.122 -1.411 1.00 15.00 H new ATOM 309 N HIS A 254 2.848 -3.652 -2.508 1.00 15.00 N ATOM 310 CA HIS A 254 4.111 -4.313 -2.787 1.00 15.00 C ATOM 311 C HIS A 254 3.823 -5.731 -3.188 1.00 15.00 C ATOM 312 O HIS A 254 3.450 -6.540 -2.336 1.00 15.00 O ATOM 313 CB HIS A 254 5.008 -4.315 -1.539 1.00 15.00 C ATOM 314 CG HIS A 254 6.058 -5.399 -1.489 1.00 15.00 C ATOM 315 ND1 HIS A 254 5.880 -6.595 -0.813 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.296 -5.461 -2.028 1.00 15.00 C ATOM 317 CE1 HIS A 254 6.964 -7.343 -0.949 1.00 15.00 C ATOM 318 NE2 HIS A 254 7.835 -6.673 -1.680 1.00 15.00 N ATOM 0 H HIS A 254 2.159 -4.270 -2.080 1.00 15.00 H new ATOM 0 HA HIS A 254 4.629 -3.781 -3.586 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.507 -3.348 -1.471 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.373 -4.409 -0.658 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.773 -4.697 -2.623 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.110 -8.329 -0.534 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.763 -7.004 -1.944 1.00 15.00 H new ATOM 327 N THR A 255 3.960 -6.075 -4.443 1.00 15.00 N ATOM 328 CA THR A 255 3.686 -7.451 -4.755 1.00 15.00 C ATOM 329 C THR A 255 4.974 -8.237 -4.927 1.00 15.00 C ATOM 330 O THR A 255 5.542 -8.337 -6.011 1.00 15.00 O ATOM 331 CB THR A 255 2.830 -7.564 -6.032 1.00 15.00 C ATOM 332 OG1 THR A 255 1.728 -6.651 -5.949 1.00 15.00 O ATOM 333 CG2 THR A 255 2.303 -8.980 -6.218 1.00 15.00 C ATOM 0 H THR A 255 4.239 -5.471 -5.216 1.00 15.00 H new ATOM 0 HA THR A 255 3.128 -7.874 -3.919 1.00 15.00 H new ATOM 0 HB THR A 255 3.457 -7.317 -6.889 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.184 -6.720 -6.761 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.703 -9.028 -7.127 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.141 -9.672 -6.299 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.687 -9.254 -5.362 1.00 15.00 H new ATOM 341 N GLN A 256 5.447 -8.741 -3.801 1.00 15.00 N ATOM 342 CA GLN A 256 6.178 -9.984 -3.710 1.00 15.00 C ATOM 343 C GLN A 256 5.203 -11.025 -3.202 1.00 15.00 C ATOM 344 O GLN A 256 5.005 -12.088 -3.782 1.00 15.00 O ATOM 345 CB GLN A 256 7.370 -9.855 -2.758 1.00 15.00 C ATOM 346 CG GLN A 256 8.076 -11.167 -2.480 1.00 15.00 C ATOM 347 CD GLN A 256 9.106 -11.071 -1.369 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.316 -12.025 -0.624 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.778 -9.937 -1.264 1.00 15.00 N ATOM 0 H GLN A 256 5.327 -8.279 -2.899 1.00 15.00 H new ATOM 0 HA GLN A 256 6.582 -10.264 -4.683 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.086 -9.150 -3.181 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.025 -9.432 -1.815 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.335 -11.921 -2.215 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.566 -11.508 -3.392 1.00 15.00 H new ATOM 0 HE21 GLN A 256 9.578 -9.165 -1.900 1.00 15.00 H new ATOM 0 HE22 GLN A 256 10.497 -9.835 -0.547 1.00 15.00 H new ATOM 358 N THR A 257 4.590 -10.650 -2.077 1.00 15.00 N ATOM 359 CA THR A 257 3.696 -11.501 -1.328 1.00 15.00 C ATOM 360 C THR A 257 2.339 -10.873 -1.179 1.00 15.00 C ATOM 361 O THR A 257 1.564 -11.161 -0.269 1.00 15.00 O ATOM 362 CB THR A 257 4.256 -11.729 0.052 1.00 15.00 C ATOM 363 OG1 THR A 257 4.662 -10.463 0.599 1.00 15.00 O ATOM 364 CG2 THR A 257 5.442 -12.675 0.036 1.00 15.00 C ATOM 0 H THR A 257 4.711 -9.726 -1.663 1.00 15.00 H new ATOM 0 HA THR A 257 3.600 -12.440 -1.873 1.00 15.00 H new ATOM 0 HB THR A 257 3.479 -12.187 0.664 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.027 -10.597 1.499 1.00 15.00 H new ATOM 0 HG21 THR A 257 5.813 -12.810 1.052 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.133 -13.639 -0.369 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.233 -12.257 -0.587 1.00 15.00 H new ATOM 372 N GLY A 258 2.086 -10.071 -2.135 1.00 15.00 N ATOM 373 CA GLY A 258 0.879 -9.264 -2.196 1.00 15.00 C ATOM 374 C GLY A 258 0.645 -8.432 -0.945 1.00 15.00 C ATOM 375 O GLY A 258 -0.200 -8.770 -0.117 1.00 15.00 O ATOM 0 H GLY A 258 2.711 -9.935 -2.929 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.938 -8.601 -3.059 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.021 -9.918 -2.354 1.00 15.00 H new ATOM 379 N VAL A 259 1.394 -7.345 -0.797 1.00 15.00 N ATOM 380 CA VAL A 259 1.161 -6.424 0.313 1.00 15.00 C ATOM 381 C VAL A 259 0.170 -5.354 -0.064 1.00 15.00 C ATOM 382 O VAL A 259 0.431 -4.537 -0.938 1.00 15.00 O ATOM 383 CB VAL A 259 2.445 -5.736 0.847 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.095 -4.586 1.784 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.266 -6.757 1.588 1.00 15.00 C ATOM 0 H VAL A 259 2.157 -7.081 -1.420 1.00 15.00 H new ATOM 0 HA VAL A 259 0.766 -7.052 1.112 1.00 15.00 H new ATOM 0 HB VAL A 259 3.009 -5.331 0.006 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.011 -4.119 2.145 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.499 -3.848 1.247 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.524 -4.967 2.630 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.173 -6.287 1.969 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.686 -7.156 2.420 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.535 -7.568 0.911 1.00 15.00 H new ATOM 395 N SER A 260 -0.958 -5.393 0.612 1.00 15.00 N ATOM 396 CA SER A 260 -1.947 -4.325 0.548 1.00 15.00 C ATOM 397 C SER A 260 -2.325 -3.925 1.954 1.00 15.00 C ATOM 398 O SER A 260 -2.976 -4.677 2.680 1.00 15.00 O ATOM 399 CB SER A 260 -3.189 -4.713 -0.269 1.00 15.00 C ATOM 400 OG SER A 260 -3.621 -6.033 0.030 1.00 15.00 O ATOM 0 H SER A 260 -1.221 -6.165 1.224 1.00 15.00 H new ATOM 0 HA SER A 260 -1.500 -3.478 0.027 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.996 -4.010 -0.062 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.964 -4.635 -1.333 1.00 15.00 H new ATOM 0 HG SER A 260 -3.586 -6.177 0.999 1.00 15.00 H new ATOM 406 N THR A 261 -1.879 -2.755 2.356 1.00 15.00 N ATOM 407 CA THR A 261 -1.990 -2.373 3.751 1.00 15.00 C ATOM 408 C THR A 261 -2.130 -0.870 3.945 1.00 15.00 C ATOM 409 O THR A 261 -1.652 -0.074 3.133 1.00 15.00 O ATOM 410 CB THR A 261 -0.790 -2.896 4.566 1.00 15.00 C ATOM 411 OG1 THR A 261 -1.006 -2.663 5.961 1.00 15.00 O ATOM 412 CG2 THR A 261 0.512 -2.235 4.127 1.00 15.00 C ATOM 0 H THR A 261 -1.443 -2.060 1.750 1.00 15.00 H new ATOM 0 HA THR A 261 -2.906 -2.836 4.118 1.00 15.00 H new ATOM 0 HB THR A 261 -0.704 -3.967 4.384 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.067 -3.521 6.430 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.337 -2.626 4.722 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.691 -2.448 3.073 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.440 -1.157 4.272 1.00 15.00 H new ATOM 420 N TRP A 262 -2.823 -0.504 5.019 1.00 15.00 N ATOM 421 CA TRP A 262 -2.976 0.887 5.413 1.00 15.00 C ATOM 422 C TRP A 262 -1.668 1.464 5.946 1.00 15.00 C ATOM 423 O TRP A 262 -1.416 2.664 5.832 1.00 15.00 O ATOM 424 CB TRP A 262 -4.013 1.022 6.523 1.00 15.00 C ATOM 425 CG TRP A 262 -5.430 0.736 6.137 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.247 -0.214 6.684 1.00 15.00 C ATOM 427 CD2 TRP A 262 -6.212 1.409 5.147 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.487 -0.141 6.136 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.493 0.835 5.190 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.972 2.448 4.235 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.515 1.258 4.378 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -7.010 2.855 3.418 1.00 15.00 C ATOM 433 CH2 TRP A 262 -8.262 2.258 3.507 1.00 15.00 C ATOM 0 H TRP A 262 -3.293 -1.165 5.638 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.289 1.429 4.521 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.736 0.350 7.335 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.963 2.037 6.918 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.949 -0.921 7.444 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.284 -0.724 6.392 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -5.001 2.918 4.173 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.493 0.804 4.434 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.846 3.647 2.702 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -9.055 2.604 2.861 1.00 15.00 H new ATOM 444 N HIS A 263 -0.861 0.618 6.578 1.00 15.00 N ATOM 445 CA HIS A 263 0.313 1.103 7.292 1.00 15.00 C ATOM 446 C HIS A 263 1.515 1.177 6.371 1.00 15.00 C ATOM 447 O HIS A 263 1.781 0.254 5.599 1.00 15.00 O ATOM 448 CB HIS A 263 0.633 0.227 8.526 1.00 15.00 C ATOM 449 CG HIS A 263 1.510 -0.970 8.260 1.00 15.00 C ATOM 450 ND1 HIS A 263 2.874 -0.970 8.479 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.212 -2.204 7.792 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.370 -2.150 8.156 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.383 -2.917 7.738 1.00 15.00 N ATOM 0 H HIS A 263 -0.996 -0.393 6.610 1.00 15.00 H new ATOM 0 HA HIS A 263 0.084 2.108 7.646 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.117 0.851 9.277 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.306 -0.121 8.957 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.414 -0.181 8.835 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.232 -2.562 7.512 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.409 -2.438 8.223 1.00 15.00 H new ATOM 462 N ASP A 264 2.230 2.283 6.455 1.00 15.00 N ATOM 463 CA ASP A 264 3.510 2.415 5.785 1.00 15.00 C ATOM 464 C ASP A 264 4.442 1.322 6.280 1.00 15.00 C ATOM 465 O ASP A 264 4.647 1.176 7.470 1.00 15.00 O ATOM 466 CB ASP A 264 4.096 3.805 6.059 1.00 15.00 C ATOM 467 CG ASP A 264 5.495 3.986 5.517 1.00 15.00 C ATOM 468 OD1 ASP A 264 5.788 3.468 4.427 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.297 4.677 6.178 1.00 15.00 O1- ATOM 0 H ASP A 264 1.944 3.107 6.984 1.00 15.00 H new ATOM 0 HA ASP A 264 3.384 2.308 4.708 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.444 4.559 5.619 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.106 3.981 7.135 1.00 15.00 H new ATOM 474 N PRO A 265 4.988 0.506 5.388 1.00 15.00 N ATOM 475 CA PRO A 265 5.862 -0.597 5.778 1.00 15.00 C ATOM 476 C PRO A 265 7.194 -0.111 6.309 1.00 15.00 C ATOM 477 O PRO A 265 7.966 -0.868 6.898 1.00 15.00 O ATOM 478 CB PRO A 265 6.037 -1.406 4.494 1.00 15.00 C ATOM 479 CG PRO A 265 5.000 -0.877 3.554 1.00 15.00 C ATOM 480 CD PRO A 265 4.791 0.556 3.939 1.00 15.00 C ATOM 0 HA PRO A 265 5.437 -1.185 6.591 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.040 -1.283 4.084 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.896 -2.471 4.677 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.332 -0.959 2.519 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.072 -1.443 3.637 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.506 1.219 3.451 1.00 15.00 H new ATOM 0 HD3 PRO A 265 3.795 0.910 3.673 1.00 15.00 H new ATOM 488 N ARG A 266 7.465 1.149 6.055 1.00 15.00 N ATOM 489 CA ARG A 266 8.616 1.820 6.608 1.00 15.00 C ATOM 490 C ARG A 266 8.343 2.146 8.068 1.00 15.00 C ATOM 491 O ARG A 266 9.233 2.549 8.822 1.00 15.00 O ATOM 492 CB ARG A 266 8.844 3.077 5.805 1.00 15.00 C ATOM 493 CG ARG A 266 10.186 3.758 6.014 1.00 15.00 C ATOM 494 CD ARG A 266 11.339 2.993 5.390 1.00 15.00 C ATOM 495 NE ARG A 266 12.509 3.855 5.225 1.00 15.00 N ATOM 496 CZ ARG A 266 13.731 3.431 4.916 1.00 15.00 C ATOM 497 NH1 ARG A 266 13.993 2.135 4.819 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 14.706 4.307 4.730 1.00 15.00 N ATOM 0 H ARG A 266 6.889 1.739 5.455 1.00 15.00 H new ATOM 0 HA ARG A 266 9.506 1.193 6.560 1.00 15.00 H new ATOM 0 HB2 ARG A 266 8.741 2.834 4.747 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.055 3.789 6.047 1.00 15.00 H new ATOM 0 HG2 ARG A 266 10.149 4.761 5.589 1.00 15.00 H new ATOM 0 HG3 ARG A 266 10.368 3.872 7.083 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.597 2.140 6.018 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.035 2.596 4.421 1.00 15.00 H new ATOM 0 HE ARG A 266 12.378 4.858 5.357 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.254 1.452 4.982 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.934 1.821 4.581 1.00 15.00 H new ATOM 0 HH21 ARG A 266 14.519 5.305 4.824 1.00 15.00 H new ATOM 0 HH22 ARG A 266 15.644 3.984 4.493 1.00 15.00 H new ATOM 574 N ASP B 211 -3.189 -5.034 -7.346 1.00 15.00 N ATOM 575 CA ASP B 211 -4.193 -6.072 -7.576 1.00 15.00 C ATOM 576 C ASP B 211 -5.445 -5.962 -6.649 1.00 15.00 C ATOM 577 O ASP B 211 -6.464 -6.585 -6.939 1.00 15.00 O ATOM 578 CB ASP B 211 -3.527 -7.445 -7.406 1.00 15.00 C ATOM 579 CG ASP B 211 -4.482 -8.613 -7.569 1.00 15.00 C ATOM 580 OD1 ASP B 211 -4.840 -8.943 -8.720 1.00 15.00 O ATOM 581 OD2 ASP B 211 -4.848 -9.230 -6.549 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.568 -5.938 -8.591 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.722 -7.541 -8.135 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.070 -7.497 -6.418 1.00 15.00 H new ATOM 586 N PRO B 212 -5.421 -5.174 -5.535 1.00 15.00 N ATOM 587 CA PRO B 212 -6.406 -5.256 -4.468 1.00 15.00 C ATOM 588 C PRO B 212 -7.459 -4.145 -4.498 1.00 15.00 C ATOM 589 O PRO B 212 -7.258 -3.082 -5.084 1.00 15.00 O ATOM 590 CB PRO B 212 -5.508 -5.072 -3.254 1.00 15.00 C ATOM 591 CG PRO B 212 -4.479 -4.135 -3.685 1.00 15.00 C ATOM 592 CD PRO B 212 -4.483 -4.103 -5.189 1.00 15.00 C ATOM 0 HA PRO B 212 -6.994 -6.172 -4.514 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -6.068 -4.680 -2.405 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -5.072 -6.020 -2.938 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.675 -3.141 -3.282 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.502 -4.443 -3.313 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.813 -3.137 -5.572 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.490 -4.287 -5.600 1.00 15.00 H new ATOM 600 N GLY B 213 -8.567 -4.398 -3.827 1.00 15.00 N ATOM 601 CA GLY B 213 -9.573 -3.375 -3.623 1.00 15.00 C ATOM 602 C GLY B 213 -9.290 -2.605 -2.348 1.00 15.00 C ATOM 603 O GLY B 213 -8.556 -3.092 -1.484 1.00 15.00 O ATOM 0 H GLY B 213 -8.792 -5.303 -3.414 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.585 -2.693 -4.473 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.561 -3.833 -3.568 1.00 15.00 H new ATOM 621 N PRO B 215 -9.823 -0.855 1.292 1.00 15.00 N ATOM 622 CA PRO B 215 -10.493 -1.272 2.528 1.00 15.00 C ATOM 623 C PRO B 215 -11.198 -0.122 3.244 1.00 15.00 C ATOM 624 O PRO B 215 -10.943 1.050 2.977 1.00 15.00 O ATOM 625 CB PRO B 215 -9.305 -1.776 3.399 1.00 15.00 C ATOM 626 CG PRO B 215 -8.091 -1.661 2.530 1.00 15.00 C ATOM 627 CD PRO B 215 -8.412 -0.586 1.540 1.00 15.00 C ATOM 0 HA PRO B 215 -11.274 -2.007 2.337 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.199 -1.175 4.302 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.462 -2.806 3.718 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.210 -1.404 3.118 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.875 -2.605 2.029 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.247 0.412 1.946 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.811 -0.665 0.634 1.00 15.00 H new ATOM 635 N PHE B 216 -12.139 -0.472 4.110 1.00 15.00 N ATOM 636 CA PHE B 216 -12.772 0.503 4.989 1.00 15.00 C ATOM 637 C PHE B 216 -12.552 0.107 6.443 1.00 15.00 C ATOM 638 O PHE B 216 -13.017 0.777 7.365 1.00 15.00 O ATOM 639 CB PHE B 216 -14.269 0.616 4.692 1.00 15.00 C ATOM 640 CG PHE B 216 -14.572 1.222 3.353 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.859 0.419 2.264 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.571 2.597 3.185 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.140 0.973 1.032 1.00 15.00 C ATOM 644 CE2 PHE B 216 -14.850 3.157 1.954 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.136 2.344 0.877 1.00 15.00 C ATOM 0 H PHE B 216 -12.482 -1.426 4.223 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.317 1.477 4.810 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.717 -0.377 4.742 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -14.741 1.218 5.469 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.863 -0.655 2.379 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.350 3.238 4.026 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.363 0.334 0.190 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -14.844 4.230 1.835 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.356 2.780 -0.086 1.00 15.00 H new