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 139:sc= -1.02 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.61 K(o=-2.6,f=0.96) USER MOD Set 2.1: A 242 GLN : amide:sc= -0.531 K(o=-1.4,f=-2.7) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 247 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.1) USER MOD Single : A 249 GLN : amide:sc= -4.55! K(o=-4.5!,f=-1.8) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.0179 USER MOD Single : A 254 HIS : no HD1:sc= -3.52! K(o=-3.5!,f=-2.4) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 257 THR OG1 : rot -42:sc= 0.562 USER MOD Single : A 260 SER OG : rot 48:sc= 0.00107 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.566 4.405 1.972 1.00 15.00 N ATOM 17 CA LEU A 236 10.335 2.967 1.981 1.00 15.00 C ATOM 18 C LEU A 236 11.595 2.230 1.564 1.00 15.00 C ATOM 19 O LEU A 236 12.479 2.796 0.919 1.00 15.00 O ATOM 20 CB LEU A 236 9.214 2.542 1.009 1.00 15.00 C ATOM 21 CG LEU A 236 7.875 3.286 1.090 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.326 3.247 2.498 1.00 15.00 C ATOM 23 CD2 LEU A 236 8.004 4.718 0.600 1.00 15.00 C ATOM 0 HA LEU A 236 10.042 2.714 3.000 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.594 2.647 -0.007 1.00 15.00 H new ATOM 0 HB3 LEU A 236 9.018 1.482 1.168 1.00 15.00 H new ATOM 0 HG LEU A 236 7.172 2.775 0.432 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.376 3.780 2.533 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.172 2.211 2.800 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.034 3.721 3.178 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.037 5.215 0.671 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.731 5.249 1.215 1.00 15.00 H new ATOM 0 HD23 LEU A 236 8.337 4.719 -0.438 1.00 15.00 H new ATOM 35 N PRO A 237 11.684 0.950 1.919 1.00 15.00 N ATOM 36 CA PRO A 237 12.620 0.036 1.276 1.00 15.00 C ATOM 37 C PRO A 237 12.155 -0.209 -0.148 1.00 15.00 C ATOM 38 O PRO A 237 10.957 -0.233 -0.410 1.00 15.00 O ATOM 39 CB PRO A 237 12.513 -1.254 2.104 1.00 15.00 C ATOM 40 CG PRO A 237 11.784 -0.879 3.355 1.00 15.00 C ATOM 41 CD PRO A 237 10.947 0.326 3.024 1.00 15.00 C ATOM 0 HA PRO A 237 13.642 0.412 1.234 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.975 -2.027 1.555 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.501 -1.654 2.333 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.158 -1.702 3.699 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.485 -0.654 4.159 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.936 0.046 2.727 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.854 0.998 3.877 1.00 15.00 H new ATOM 49 N GLU A 238 13.086 -0.377 -1.065 1.00 15.00 N ATOM 50 CA GLU A 238 12.738 -0.396 -2.478 1.00 15.00 C ATOM 51 C GLU A 238 11.952 -1.638 -2.863 1.00 15.00 C ATOM 52 O GLU A 238 12.501 -2.722 -3.076 1.00 15.00 O ATOM 53 CB GLU A 238 13.974 -0.229 -3.347 1.00 15.00 C ATOM 54 CG GLU A 238 14.518 1.184 -3.299 1.00 15.00 C ATOM 55 CD GLU A 238 15.824 1.337 -4.043 1.00 15.00 C ATOM 56 OE1 GLU A 238 16.882 1.420 -3.385 1.00 15.00 O ATOM 57 OE2 GLU A 238 15.798 1.384 -5.289 1.00 15.00 O1- ATOM 0 H GLU A 238 14.078 -0.501 -0.865 1.00 15.00 H new ATOM 0 HA GLU A 238 12.082 0.456 -2.657 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.745 -0.925 -3.017 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.730 -0.488 -4.377 1.00 15.00 H new ATOM 0 HG2 GLU A 238 13.782 1.866 -3.724 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.662 1.478 -2.259 1.00 15.00 H new ATOM 64 N GLY A 239 10.646 -1.449 -2.879 1.00 15.00 N ATOM 65 CA GLY A 239 9.723 -2.482 -3.300 1.00 15.00 C ATOM 66 C GLY A 239 8.293 -2.202 -2.863 1.00 15.00 C ATOM 67 O GLY A 239 7.532 -3.130 -2.601 1.00 15.00 O ATOM 0 H GLY A 239 10.197 -0.576 -2.601 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.756 -2.573 -4.386 1.00 15.00 H new ATOM 0 HA3 GLY A 239 10.043 -3.440 -2.890 1.00 15.00 H new ATOM 71 N TYR A 240 7.923 -0.921 -2.791 1.00 15.00 N ATOM 72 CA TYR A 240 6.583 -0.517 -2.366 1.00 15.00 C ATOM 73 C TYR A 240 6.131 0.656 -3.214 1.00 15.00 C ATOM 74 O TYR A 240 6.827 1.671 -3.292 1.00 15.00 O ATOM 75 CB TYR A 240 6.561 -0.068 -0.890 1.00 15.00 C ATOM 76 CG TYR A 240 7.074 -1.093 0.089 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.382 -1.056 0.537 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.258 -2.111 0.542 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.870 -2.010 1.400 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.730 -3.069 1.415 1.00 15.00 C ATOM 81 CZ TYR A 240 8.040 -3.019 1.838 1.00 15.00 C ATOM 82 OH TYR A 240 8.520 -3.985 2.693 1.00 15.00 O ATOM 0 H TYR A 240 8.539 -0.142 -3.024 1.00 15.00 H new ATOM 0 HA TYR A 240 5.924 -1.377 -2.483 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.158 0.839 -0.792 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.538 0.193 -0.619 1.00 15.00 H new ATOM 0 HD1 TYR A 240 9.034 -0.262 0.203 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.232 -2.158 0.207 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.897 -1.968 1.732 1.00 15.00 H new ATOM 0 HE2 TYR A 240 6.076 -3.854 1.765 1.00 15.00 H new ATOM 0 HH TYR A 240 7.804 -4.620 2.904 1.00 15.00 H new ATOM 92 N GLU A 241 4.979 0.531 -3.836 1.00 15.00 N ATOM 93 CA GLU A 241 4.418 1.632 -4.590 1.00 15.00 C ATOM 94 C GLU A 241 3.392 2.375 -3.742 1.00 15.00 C ATOM 95 O GLU A 241 2.537 1.766 -3.094 1.00 15.00 O ATOM 96 CB GLU A 241 3.815 1.131 -5.907 1.00 15.00 C ATOM 97 CG GLU A 241 2.954 -0.111 -5.771 1.00 15.00 C ATOM 98 CD GLU A 241 2.664 -0.755 -7.111 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.613 -0.455 -7.701 1.00 15.00 O ATOM 100 OE2 GLU A 241 3.507 -1.549 -7.589 1.00 15.00 O1- ATOM 0 H GLU A 241 4.414 -0.318 -3.835 1.00 15.00 H new ATOM 0 HA GLU A 241 5.212 2.334 -4.845 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.214 1.929 -6.344 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.624 0.922 -6.607 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.457 -0.831 -5.125 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.014 0.152 -5.285 1.00 15.00 H new ATOM 107 N GLN A 242 3.482 3.696 -3.759 1.00 15.00 N ATOM 108 CA GLN A 242 2.622 4.532 -2.943 1.00 15.00 C ATOM 109 C GLN A 242 1.373 4.854 -3.737 1.00 15.00 C ATOM 110 O GLN A 242 1.429 5.549 -4.751 1.00 15.00 O ATOM 111 CB GLN A 242 3.368 5.817 -2.545 1.00 15.00 C ATOM 112 CG GLN A 242 2.770 6.584 -1.367 1.00 15.00 C ATOM 113 CD GLN A 242 1.481 7.316 -1.691 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.245 7.719 -2.828 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.654 7.524 -0.684 1.00 15.00 N ATOM 0 H GLN A 242 4.147 4.213 -4.334 1.00 15.00 H new ATOM 0 HA GLN A 242 2.342 4.011 -2.028 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.399 5.558 -2.302 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.401 6.480 -3.409 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.583 5.886 -0.551 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.504 7.305 -1.008 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.885 7.174 0.246 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.216 8.035 -0.836 1.00 15.00 H new ATOM 124 N ARG A 243 0.254 4.313 -3.302 1.00 15.00 N ATOM 125 CA ARG A 243 -0.980 4.476 -4.034 1.00 15.00 C ATOM 126 C ARG A 243 -2.041 5.162 -3.194 1.00 15.00 C ATOM 127 O ARG A 243 -2.323 4.760 -2.066 1.00 15.00 O ATOM 128 CB ARG A 243 -1.485 3.126 -4.531 1.00 15.00 C ATOM 129 CG ARG A 243 -2.754 3.242 -5.347 1.00 15.00 C ATOM 130 CD ARG A 243 -2.907 2.089 -6.313 1.00 15.00 C ATOM 131 NE ARG A 243 -3.966 2.351 -7.278 1.00 15.00 N ATOM 132 CZ ARG A 243 -3.763 2.487 -8.588 1.00 15.00 C ATOM 133 NH1 ARG A 243 -2.558 2.298 -9.094 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.775 2.765 -9.399 1.00 15.00 N ATOM 0 H ARG A 243 0.176 3.759 -2.449 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.774 5.115 -4.893 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.711 2.653 -5.136 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.665 2.473 -3.677 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.614 3.273 -4.679 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.746 4.181 -5.900 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.966 1.922 -6.837 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.131 1.176 -5.762 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.921 2.436 -6.930 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -1.781 2.048 -8.482 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -2.404 2.402 -10.097 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -5.716 2.876 -9.021 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -4.612 2.868 -10.401 1.00 15.00 H new ATOM 148 N THR A 244 -2.634 6.188 -3.774 1.00 15.00 N ATOM 149 CA THR A 244 -3.670 6.955 -3.119 1.00 15.00 C ATOM 150 C THR A 244 -4.934 6.945 -3.975 1.00 15.00 C ATOM 151 O THR A 244 -4.901 7.308 -5.152 1.00 15.00 O ATOM 152 CB THR A 244 -3.209 8.407 -2.890 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.896 8.410 -2.312 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.169 9.147 -1.970 1.00 15.00 C ATOM 0 H THR A 244 -2.409 6.512 -4.715 1.00 15.00 H new ATOM 0 HA THR A 244 -3.880 6.501 -2.151 1.00 15.00 H new ATOM 0 HB THR A 244 -3.192 8.916 -3.853 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.604 9.334 -2.169 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.819 10.169 -1.826 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.163 9.163 -2.418 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.214 8.639 -1.006 1.00 15.00 H new ATOM 162 N THR A 245 -6.035 6.514 -3.385 1.00 15.00 N ATOM 163 CA THR A 245 -7.311 6.454 -4.080 1.00 15.00 C ATOM 164 C THR A 245 -8.069 7.763 -3.913 1.00 15.00 C ATOM 165 O THR A 245 -7.867 8.473 -2.927 1.00 15.00 O ATOM 166 CB THR A 245 -8.186 5.271 -3.587 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.561 5.471 -3.941 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.069 5.074 -2.080 1.00 15.00 C ATOM 0 H THR A 245 -6.071 6.197 -2.416 1.00 15.00 H new ATOM 0 HA THR A 245 -7.096 6.292 -5.136 1.00 15.00 H new ATOM 0 HB THR A 245 -7.816 4.372 -4.080 1.00 15.00 H new ATOM 0 HG1 THR A 245 -10.094 4.713 -3.622 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.696 4.237 -1.773 1.00 15.00 H new ATOM 0 HG22 THR A 245 -7.031 4.865 -1.820 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.396 5.979 -1.568 1.00 15.00 H new ATOM 176 N VAL A 246 -8.892 8.104 -4.913 1.00 15.00 N ATOM 177 CA VAL A 246 -9.774 9.277 -4.848 1.00 15.00 C ATOM 178 C VAL A 246 -10.578 9.265 -3.545 1.00 15.00 C ATOM 179 O VAL A 246 -11.032 10.304 -3.059 1.00 15.00 O ATOM 180 CB VAL A 246 -10.750 9.305 -6.047 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.522 10.616 -6.093 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.004 9.076 -7.353 1.00 15.00 C ATOM 0 H VAL A 246 -8.965 7.579 -5.784 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.146 10.167 -4.883 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.468 8.496 -5.915 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.201 10.609 -6.946 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -12.096 10.733 -5.174 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -10.823 11.446 -6.193 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.709 9.100 -8.184 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.258 9.859 -7.488 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.510 8.105 -7.324 1.00 15.00 H new ATOM 192 N GLN A 247 -10.737 8.061 -3.007 1.00 15.00 N ATOM 193 CA GLN A 247 -11.301 7.830 -1.685 1.00 15.00 C ATOM 194 C GLN A 247 -10.668 8.744 -0.627 1.00 15.00 C ATOM 195 O GLN A 247 -11.336 9.173 0.314 1.00 15.00 O ATOM 196 CB GLN A 247 -11.068 6.363 -1.323 1.00 15.00 C ATOM 197 CG GLN A 247 -11.226 6.031 0.144 1.00 15.00 C ATOM 198 CD GLN A 247 -12.677 5.959 0.578 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.019 6.315 1.703 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.535 5.462 -0.300 1.00 15.00 N ATOM 0 H GLN A 247 -10.472 7.202 -3.488 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.366 8.060 -1.705 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.763 5.749 -1.895 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.062 6.083 -1.637 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.742 5.076 0.350 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.710 6.784 0.740 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -13.211 5.178 -1.225 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.519 5.364 -0.052 1.00 15.00 H new ATOM 209 N GLY A 248 -9.375 9.016 -0.775 1.00 15.00 N ATOM 210 CA GLY A 248 -8.681 9.884 0.159 1.00 15.00 C ATOM 211 C GLY A 248 -7.700 9.134 1.041 1.00 15.00 C ATOM 212 O GLY A 248 -6.973 9.744 1.829 1.00 15.00 O ATOM 0 H GLY A 248 -8.794 8.649 -1.528 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.147 10.655 -0.397 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.412 10.393 0.787 1.00 15.00 H new ATOM 216 N GLN A 249 -7.667 7.815 0.911 1.00 15.00 N ATOM 217 CA GLN A 249 -6.805 6.995 1.754 1.00 15.00 C ATOM 218 C GLN A 249 -5.622 6.461 0.956 1.00 15.00 C ATOM 219 O GLN A 249 -5.728 6.221 -0.250 1.00 15.00 O ATOM 220 CB GLN A 249 -7.585 5.818 2.344 1.00 15.00 C ATOM 221 CG GLN A 249 -9.030 6.130 2.659 1.00 15.00 C ATOM 222 CD GLN A 249 -9.746 4.991 3.358 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.736 4.903 4.585 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.373 4.112 2.586 1.00 15.00 N ATOM 0 H GLN A 249 -8.223 7.292 0.235 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.438 7.625 2.564 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.549 4.984 1.643 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.089 5.488 3.257 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.075 7.019 3.288 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.554 6.367 1.733 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.357 4.221 1.572 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.871 3.327 3.007 1.00 15.00 H new ATOM 233 N VAL A 250 -4.506 6.262 1.639 1.00 15.00 N ATOM 234 CA VAL A 250 -3.322 5.688 1.024 1.00 15.00 C ATOM 235 C VAL A 250 -3.186 4.217 1.407 1.00 15.00 C ATOM 236 O VAL A 250 -3.402 3.846 2.560 1.00 15.00 O ATOM 237 CB VAL A 250 -2.039 6.457 1.433 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.105 7.895 0.944 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.828 6.417 2.943 1.00 15.00 C ATOM 0 H VAL A 250 -4.396 6.492 2.627 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.439 5.772 -0.056 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.188 5.965 0.963 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.197 8.422 1.239 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.194 7.906 -0.142 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.971 8.390 1.384 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.921 6.965 3.198 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.681 6.876 3.442 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.731 5.382 3.269 1.00 15.00 H new ATOM 249 N TYR A 251 -2.862 3.379 0.438 1.00 15.00 N ATOM 250 CA TYR A 251 -2.613 1.973 0.709 1.00 15.00 C ATOM 251 C TYR A 251 -1.309 1.541 0.041 1.00 15.00 C ATOM 252 O TYR A 251 -1.117 1.738 -1.160 1.00 15.00 O ATOM 253 CB TYR A 251 -3.821 1.089 0.302 1.00 15.00 C ATOM 254 CG TYR A 251 -4.344 1.245 -1.121 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.292 2.217 -1.433 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.930 0.392 -2.147 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.795 2.330 -2.712 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.426 0.504 -3.417 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.362 1.474 -3.701 1.00 15.00 C ATOM 260 OH TYR A 251 -5.860 1.596 -4.979 1.00 15.00 O ATOM 0 H TYR A 251 -2.765 3.646 -0.542 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.496 1.834 1.784 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.542 0.046 0.448 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.641 1.298 0.989 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.638 2.891 -0.663 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.200 -0.375 -1.932 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.529 3.090 -2.939 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.085 -0.165 -4.193 1.00 15.00 H new ATOM 0 HH TYR A 251 -5.451 0.917 -5.556 1.00 15.00 H new ATOM 270 N PHE A 252 -0.417 0.951 0.835 1.00 15.00 N ATOM 271 CA PHE A 252 0.933 0.630 0.378 1.00 15.00 C ATOM 272 C PHE A 252 0.987 -0.742 -0.230 1.00 15.00 C ATOM 273 O PHE A 252 0.853 -1.750 0.468 1.00 15.00 O ATOM 274 CB PHE A 252 1.938 0.695 1.526 1.00 15.00 C ATOM 275 CG PHE A 252 2.378 2.097 1.838 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.970 2.883 0.864 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.182 2.636 3.098 1.00 15.00 C ATOM 278 CE1 PHE A 252 3.355 4.181 1.141 1.00 15.00 C ATOM 279 CE2 PHE A 252 2.570 3.930 3.381 1.00 15.00 C ATOM 280 CZ PHE A 252 3.154 4.704 2.401 1.00 15.00 C ATOM 0 H PHE A 252 -0.606 0.685 1.801 1.00 15.00 H new ATOM 0 HA PHE A 252 1.195 1.373 -0.375 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.493 0.252 2.417 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.811 0.093 1.273 1.00 15.00 H new ATOM 0 HD1 PHE A 252 3.133 2.477 -0.123 1.00 15.00 H new ATOM 0 HD2 PHE A 252 1.720 2.037 3.869 1.00 15.00 H new ATOM 0 HE1 PHE A 252 3.813 4.785 0.372 1.00 15.00 H new ATOM 0 HE2 PHE A 252 2.416 4.336 4.370 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.454 5.718 2.620 1.00 15.00 H new ATOM 290 N LEU A 253 1.168 -0.778 -1.537 1.00 15.00 N ATOM 291 CA LEU A 253 1.196 -2.035 -2.242 1.00 15.00 C ATOM 292 C LEU A 253 2.583 -2.455 -2.656 1.00 15.00 C ATOM 293 O LEU A 253 3.381 -1.689 -3.191 1.00 15.00 O ATOM 294 CB LEU A 253 0.191 -2.067 -3.400 1.00 15.00 C ATOM 295 CG LEU A 253 -1.180 -2.607 -2.987 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.233 -4.095 -3.288 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.396 -2.333 -1.510 1.00 15.00 C ATOM 0 H LEU A 253 1.297 0.046 -2.124 1.00 15.00 H new ATOM 0 HA LEU A 253 0.872 -2.792 -1.528 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.073 -1.060 -3.800 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.591 -2.684 -4.204 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.975 -2.113 -3.546 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.206 -4.491 -2.997 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -1.080 -4.256 -4.355 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.451 -4.608 -2.728 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.371 -2.715 -1.208 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.617 -2.828 -0.930 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.355 -1.259 -1.329 1.00 15.00 H new ATOM 309 N HIS A 254 2.835 -3.710 -2.371 1.00 15.00 N ATOM 310 CA HIS A 254 4.099 -4.355 -2.629 1.00 15.00 C ATOM 311 C HIS A 254 3.816 -5.758 -3.074 1.00 15.00 C ATOM 312 O HIS A 254 3.571 -6.635 -2.241 1.00 15.00 O ATOM 313 CB HIS A 254 4.966 -4.350 -1.355 1.00 15.00 C ATOM 314 CG HIS A 254 5.942 -5.496 -1.189 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.857 -5.885 -2.149 1.00 15.00 N ATOM 316 CD2 HIS A 254 6.109 -6.356 -0.154 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.530 -6.939 -1.710 1.00 15.00 C ATOM 318 NE2 HIS A 254 7.099 -7.239 -0.501 1.00 15.00 N ATOM 0 H HIS A 254 2.147 -4.328 -1.941 1.00 15.00 H new ATOM 0 HA HIS A 254 4.649 -3.823 -3.405 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.530 -3.417 -1.331 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.301 -4.342 -0.491 1.00 15.00 H new ATOM 0 HD2 HIS A 254 5.561 -6.347 0.776 1.00 15.00 H new ATOM 0 HE1 HIS A 254 8.302 -7.464 -2.252 1.00 15.00 H new ATOM 0 HE2 HIS A 254 7.445 -8.002 0.081 1.00 15.00 H new ATOM 327 N THR A 255 3.782 -6.008 -4.360 1.00 15.00 N ATOM 328 CA THR A 255 3.508 -7.364 -4.720 1.00 15.00 C ATOM 329 C THR A 255 4.770 -8.077 -5.174 1.00 15.00 C ATOM 330 O THR A 255 5.167 -8.083 -6.338 1.00 15.00 O ATOM 331 CB THR A 255 2.380 -7.452 -5.783 1.00 15.00 C ATOM 332 OG1 THR A 255 2.103 -8.819 -6.107 1.00 15.00 O ATOM 333 CG2 THR A 255 2.721 -6.675 -7.051 1.00 15.00 C ATOM 0 H THR A 255 3.929 -5.343 -5.120 1.00 15.00 H new ATOM 0 HA THR A 255 3.148 -7.878 -3.829 1.00 15.00 H new ATOM 0 HB THR A 255 1.492 -6.996 -5.346 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.389 -8.858 -6.777 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.902 -6.766 -7.765 1.00 15.00 H new ATOM 0 HG22 THR A 255 2.872 -5.624 -6.804 1.00 15.00 H new ATOM 0 HG23 THR A 255 3.633 -7.079 -7.491 1.00 15.00 H new ATOM 341 N GLN A 256 5.428 -8.620 -4.171 1.00 15.00 N ATOM 342 CA GLN A 256 6.169 -9.855 -4.246 1.00 15.00 C ATOM 343 C GLN A 256 5.314 -10.965 -3.630 1.00 15.00 C ATOM 344 O GLN A 256 5.369 -12.129 -4.020 1.00 15.00 O ATOM 345 CB GLN A 256 7.500 -9.689 -3.506 1.00 15.00 C ATOM 346 CG GLN A 256 8.168 -10.983 -3.090 1.00 15.00 C ATOM 347 CD GLN A 256 9.512 -10.742 -2.433 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.602 -10.582 -1.215 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.562 -10.706 -3.236 1.00 15.00 N ATOM 0 H GLN A 256 5.460 -8.193 -3.245 1.00 15.00 H new ATOM 0 HA GLN A 256 6.393 -10.119 -5.279 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.186 -9.133 -4.144 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.330 -9.083 -2.616 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.518 -11.521 -2.400 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.301 -11.620 -3.965 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.442 -10.844 -4.239 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.492 -10.541 -2.852 1.00 15.00 H new ATOM 358 N THR A 257 4.512 -10.552 -2.643 1.00 15.00 N ATOM 359 CA THR A 257 3.827 -11.456 -1.742 1.00 15.00 C ATOM 360 C THR A 257 2.484 -10.910 -1.395 1.00 15.00 C ATOM 361 O THR A 257 1.859 -11.229 -0.386 1.00 15.00 O ATOM 362 CB THR A 257 4.678 -11.593 -0.510 1.00 15.00 C ATOM 363 OG1 THR A 257 4.130 -12.527 0.432 1.00 15.00 O ATOM 364 CG2 THR A 257 4.921 -10.239 0.149 1.00 15.00 C ATOM 0 H THR A 257 4.325 -9.567 -2.454 1.00 15.00 H new ATOM 0 HA THR A 257 3.678 -12.430 -2.208 1.00 15.00 H new ATOM 0 HB THR A 257 5.638 -11.992 -0.837 1.00 15.00 H new ATOM 0 HG1 THR A 257 3.161 -12.398 0.495 1.00 15.00 H new ATOM 0 HG21 THR A 257 5.539 -10.372 1.037 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.431 -9.579 -0.553 1.00 15.00 H new ATOM 0 HG23 THR A 257 3.967 -9.797 0.435 1.00 15.00 H new ATOM 372 N GLY A 258 2.082 -10.125 -2.314 1.00 15.00 N ATOM 373 CA GLY A 258 0.843 -9.379 -2.231 1.00 15.00 C ATOM 374 C GLY A 258 0.680 -8.597 -0.935 1.00 15.00 C ATOM 375 O GLY A 258 -0.155 -8.945 -0.103 1.00 15.00 O ATOM 0 H GLY A 258 2.602 -9.963 -3.177 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.790 -8.686 -3.071 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.006 -10.070 -2.335 1.00 15.00 H new ATOM 379 N VAL A 259 1.465 -7.536 -0.756 1.00 15.00 N ATOM 380 CA VAL A 259 1.211 -6.619 0.363 1.00 15.00 C ATOM 381 C VAL A 259 0.254 -5.518 -0.026 1.00 15.00 C ATOM 382 O VAL A 259 0.536 -4.710 -0.904 1.00 15.00 O ATOM 383 CB VAL A 259 2.485 -5.955 0.957 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.106 -4.859 1.949 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.294 -7.009 1.664 1.00 15.00 C ATOM 0 H VAL A 259 2.259 -7.291 -1.348 1.00 15.00 H new ATOM 0 HA VAL A 259 0.779 -7.260 1.131 1.00 15.00 H new ATOM 0 HB VAL A 259 3.065 -5.507 0.150 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.011 -4.406 2.354 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.515 -4.097 1.441 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.521 -5.290 2.762 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.192 -6.557 2.086 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.699 -7.449 2.464 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.579 -7.786 0.955 1.00 15.00 H new ATOM 395 N SER A 260 -0.882 -5.532 0.650 1.00 15.00 N ATOM 396 CA SER A 260 -1.860 -4.451 0.583 1.00 15.00 C ATOM 397 C SER A 260 -2.226 -4.023 1.993 1.00 15.00 C ATOM 398 O SER A 260 -2.929 -4.735 2.711 1.00 15.00 O ATOM 399 CB SER A 260 -3.118 -4.836 -0.226 1.00 15.00 C ATOM 400 OG SER A 260 -3.536 -6.164 0.055 1.00 15.00 O ATOM 0 H SER A 260 -1.157 -6.297 1.266 1.00 15.00 H new ATOM 0 HA SER A 260 -1.405 -3.615 0.051 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.927 -4.143 0.006 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.910 -4.737 -1.291 1.00 15.00 H new ATOM 0 HG SER A 260 -3.561 -6.301 1.025 1.00 15.00 H new ATOM 406 N THR A 261 -1.717 -2.877 2.405 1.00 15.00 N ATOM 407 CA THR A 261 -1.801 -2.491 3.807 1.00 15.00 C ATOM 408 C THR A 261 -1.864 -0.978 3.999 1.00 15.00 C ATOM 409 O THR A 261 -1.356 -0.213 3.175 1.00 15.00 O ATOM 410 CB THR A 261 -0.624 -3.076 4.615 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.861 -2.913 6.019 1.00 15.00 O ATOM 412 CG2 THR A 261 0.691 -2.412 4.232 1.00 15.00 C ATOM 0 H THR A 261 -1.247 -2.203 1.801 1.00 15.00 H new ATOM 0 HA THR A 261 -2.736 -2.907 4.183 1.00 15.00 H new ATOM 0 HB THR A 261 -0.550 -4.138 4.381 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.586 -3.725 6.494 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.502 -2.845 4.818 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.884 -2.572 3.171 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.630 -1.342 4.432 1.00 15.00 H new ATOM 420 N TRP A 262 -2.530 -0.561 5.072 1.00 15.00 N ATOM 421 CA TRP A 262 -2.637 0.850 5.429 1.00 15.00 C ATOM 422 C TRP A 262 -1.298 1.431 5.887 1.00 15.00 C ATOM 423 O TRP A 262 -1.028 2.615 5.688 1.00 15.00 O ATOM 424 CB TRP A 262 -3.642 1.048 6.570 1.00 15.00 C ATOM 425 CG TRP A 262 -5.082 0.833 6.210 1.00 15.00 C ATOM 426 CD1 TRP A 262 -5.944 -0.076 6.766 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.839 1.547 5.231 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.185 0.056 6.221 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.146 1.034 5.274 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.554 2.577 4.323 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.145 1.507 4.460 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.571 3.034 3.506 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.848 2.493 3.594 1.00 15.00 C ATOM 0 H TRP A 262 -3.009 -1.190 5.717 1.00 15.00 H new ATOM 0 HA TRP A 262 -2.968 1.367 4.528 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.383 0.367 7.380 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.530 2.061 6.957 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.677 -0.794 7.527 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.008 -0.488 6.479 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.563 3.003 4.263 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.143 1.098 4.513 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.371 3.819 2.792 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.625 2.875 2.948 1.00 15.00 H new ATOM 444 N HIS A 263 -0.476 0.610 6.533 1.00 15.00 N ATOM 445 CA HIS A 263 0.712 1.123 7.216 1.00 15.00 C ATOM 446 C HIS A 263 1.913 1.192 6.282 1.00 15.00 C ATOM 447 O HIS A 263 2.139 0.291 5.473 1.00 15.00 O ATOM 448 CB HIS A 263 1.057 0.273 8.461 1.00 15.00 C ATOM 449 CG HIS A 263 1.881 -0.961 8.194 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.241 -1.025 8.419 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.529 -2.177 7.717 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.685 -2.221 8.085 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.669 -2.943 7.659 1.00 15.00 N ATOM 0 H HIS A 263 -0.605 -0.400 6.599 1.00 15.00 H new ATOM 0 HA HIS A 263 0.475 2.136 7.542 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.594 0.901 9.171 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.127 -0.029 8.943 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.814 -0.265 8.787 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.535 -2.489 7.434 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.711 -2.553 8.150 1.00 15.00 H new ATOM 462 N ASP A 264 2.674 2.270 6.409 1.00 15.00 N ATOM 463 CA ASP A 264 3.973 2.383 5.757 1.00 15.00 C ATOM 464 C ASP A 264 4.848 1.232 6.239 1.00 15.00 C ATOM 465 O ASP A 264 5.021 1.046 7.427 1.00 15.00 O ATOM 466 CB ASP A 264 4.599 3.747 6.100 1.00 15.00 C ATOM 467 CG ASP A 264 5.943 3.998 5.439 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.110 5.063 4.803 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.840 3.148 5.567 1.00 15.00 O1- ATOM 0 H ASP A 264 2.412 3.086 6.962 1.00 15.00 H new ATOM 0 HA ASP A 264 3.874 2.324 4.673 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.908 4.536 5.804 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.719 3.818 7.181 1.00 15.00 H new ATOM 474 N PRO A 265 5.372 0.408 5.338 1.00 15.00 N ATOM 475 CA PRO A 265 6.124 -0.788 5.725 1.00 15.00 C ATOM 476 C PRO A 265 7.454 -0.482 6.380 1.00 15.00 C ATOM 477 O PRO A 265 8.083 -1.360 6.978 1.00 15.00 O ATOM 478 CB PRO A 265 6.322 -1.543 4.409 1.00 15.00 C ATOM 479 CG PRO A 265 5.379 -0.898 3.446 1.00 15.00 C ATOM 480 CD PRO A 265 5.254 0.527 3.885 1.00 15.00 C ATOM 0 HA PRO A 265 5.585 -1.361 6.479 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.353 -1.468 4.062 1.00 15.00 H new ATOM 0 HB3 PRO A 265 6.102 -2.604 4.526 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.759 -0.960 2.426 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.410 -1.396 3.456 1.00 15.00 H new ATOM 0 HD2 PRO A 265 6.038 1.155 3.462 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.301 0.964 3.587 1.00 15.00 H new ATOM 488 N ARG A 266 7.887 0.747 6.251 1.00 15.00 N ATOM 489 CA ARG A 266 9.083 1.198 6.913 1.00 15.00 C ATOM 490 C ARG A 266 8.748 1.528 8.351 1.00 15.00 C ATOM 491 O ARG A 266 9.615 1.832 9.172 1.00 15.00 O ATOM 492 CB ARG A 266 9.596 2.422 6.202 1.00 15.00 C ATOM 493 CG ARG A 266 11.025 2.781 6.549 1.00 15.00 C ATOM 494 CD ARG A 266 12.014 1.741 6.060 1.00 15.00 C ATOM 495 NE ARG A 266 13.389 2.133 6.356 1.00 15.00 N ATOM 496 CZ ARG A 266 14.455 1.382 6.100 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.305 0.154 5.617 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.669 1.853 6.354 1.00 15.00 N ATOM 0 H ARG A 266 7.423 1.459 5.687 1.00 15.00 H new ATOM 0 HA ARG A 266 9.850 0.424 6.893 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.523 2.262 5.126 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.951 3.267 6.443 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.271 3.748 6.110 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.118 2.888 7.630 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.798 0.782 6.531 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.897 1.602 4.985 1.00 15.00 H new ATOM 0 HE ARG A 266 13.542 3.044 6.788 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.370 -0.214 5.442 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.125 -0.421 5.421 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.782 2.789 6.744 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.490 1.280 6.159 1.00 15.00 H new ATOM 574 N ASP B 211 -3.718 -4.957 -7.415 1.00 15.00 N ATOM 575 CA ASP B 211 -4.758 -5.973 -7.563 1.00 15.00 C ATOM 576 C ASP B 211 -5.877 -5.893 -6.486 1.00 15.00 C ATOM 577 O ASP B 211 -6.931 -6.503 -6.674 1.00 15.00 O ATOM 578 CB ASP B 211 -4.140 -7.375 -7.536 1.00 15.00 C ATOM 579 CG ASP B 211 -3.775 -7.832 -6.132 1.00 15.00 C ATOM 580 OD1 ASP B 211 -2.770 -7.341 -5.576 1.00 15.00 O ATOM 581 OD2 ASP B 211 -4.493 -8.698 -5.575 1.00 15.00 O1- ATOM 0 HA ASP B 211 -5.227 -5.773 -8.526 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -4.842 -8.085 -7.973 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.246 -7.385 -8.160 1.00 15.00 H new ATOM 586 N PRO B 212 -5.702 -5.168 -5.347 1.00 15.00 N ATOM 587 CA PRO B 212 -6.592 -5.264 -4.206 1.00 15.00 C ATOM 588 C PRO B 212 -7.643 -4.157 -4.185 1.00 15.00 C ATOM 589 O PRO B 212 -7.472 -3.108 -4.802 1.00 15.00 O ATOM 590 CB PRO B 212 -5.607 -5.081 -3.052 1.00 15.00 C ATOM 591 CG PRO B 212 -4.575 -4.184 -3.559 1.00 15.00 C ATOM 592 CD PRO B 212 -4.689 -4.147 -5.057 1.00 15.00 C ATOM 0 HA PRO B 212 -7.170 -6.188 -4.188 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -6.101 -4.657 -2.178 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -5.181 -6.036 -2.745 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.700 -3.185 -3.142 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.586 -4.533 -3.260 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.997 -3.164 -5.412 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.738 -4.376 -5.538 1.00 15.00 H new ATOM 600 N GLY B 213 -8.711 -4.375 -3.448 1.00 15.00 N ATOM 601 CA GLY B 213 -9.681 -3.322 -3.264 1.00 15.00 C ATOM 602 C GLY B 213 -9.317 -2.497 -2.052 1.00 15.00 C ATOM 603 O GLY B 213 -8.565 -2.960 -1.189 1.00 15.00 O ATOM 0 H GLY B 213 -8.926 -5.253 -2.976 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.715 -2.688 -4.150 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.676 -3.749 -3.139 1.00 15.00 H new ATOM 621 N PRO B 215 -9.710 -0.603 1.493 1.00 15.00 N ATOM 622 CA PRO B 215 -10.362 -1.005 2.740 1.00 15.00 C ATOM 623 C PRO B 215 -11.042 0.151 3.469 1.00 15.00 C ATOM 624 O PRO B 215 -10.680 1.314 3.315 1.00 15.00 O ATOM 625 CB PRO B 215 -9.158 -1.513 3.587 1.00 15.00 C ATOM 626 CG PRO B 215 -7.974 -1.457 2.677 1.00 15.00 C ATOM 627 CD PRO B 215 -8.289 -0.367 1.703 1.00 15.00 C ATOM 0 HA PRO B 215 -11.157 -1.730 2.566 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.006 -0.888 4.467 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.330 -2.528 3.944 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.060 -1.240 3.230 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.821 -2.409 2.169 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.089 0.624 2.111 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.713 -0.455 0.782 1.00 15.00 H new ATOM 635 N PHE B 216 -12.058 -0.187 4.247 1.00 15.00 N ATOM 636 CA PHE B 216 -12.720 0.780 5.106 1.00 15.00 C ATOM 637 C PHE B 216 -12.550 0.361 6.556 1.00 15.00 C ATOM 638 O PHE B 216 -12.959 1.066 7.477 1.00 15.00 O ATOM 639 CB PHE B 216 -14.208 0.891 4.765 1.00 15.00 C ATOM 640 CG PHE B 216 -14.473 1.309 3.347 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.885 0.384 2.403 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.308 2.629 2.960 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.127 0.766 1.098 1.00 15.00 C ATOM 644 CE2 PHE B 216 -14.548 3.017 1.658 1.00 15.00 C ATOM 645 CZ PHE B 216 -14.959 2.085 0.725 1.00 15.00 C ATOM 0 H PHE B 216 -12.444 -1.130 4.301 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.265 1.758 4.948 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.686 -0.072 4.946 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -14.674 1.610 5.439 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -15.019 -0.648 2.690 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -13.988 3.362 3.685 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.447 0.035 0.371 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -14.415 4.049 1.368 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.149 2.387 -0.294 1.00 15.00 H new