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 105:sc= -1.07 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.6 K(o=-2.7,f=0.97) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 244 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : A 247 GLN : amide:sc= 0.943 K(o=0.94,f=0.031) USER MOD Single : A 249 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.59) USER MOD Single : A 251 TYR OH : rot 177:sc= -0.438 USER MOD Single : A 254 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-0.83) USER MOD Single : A 255 THR OG1 : rot 55:sc= 0.204 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 44:sc= 0.069 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.101 4.320 1.909 1.00 15.00 N ATOM 17 CA LEU A 236 9.951 2.874 1.911 1.00 15.00 C ATOM 18 C LEU A 236 11.158 2.230 1.248 1.00 15.00 C ATOM 19 O LEU A 236 11.842 2.863 0.445 1.00 15.00 O ATOM 20 CB LEU A 236 8.687 2.458 1.141 1.00 15.00 C ATOM 21 CG LEU A 236 7.537 3.467 1.176 1.00 15.00 C ATOM 22 CD1 LEU A 236 6.533 3.196 0.069 1.00 15.00 C ATOM 23 CD2 LEU A 236 6.850 3.423 2.523 1.00 15.00 C ATOM 0 HA LEU A 236 9.868 2.543 2.946 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.958 2.277 0.101 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.330 1.511 1.546 1.00 15.00 H new ATOM 0 HG LEU A 236 7.954 4.461 1.017 1.00 15.00 H new ATOM 0 HD11 LEU A 236 5.728 3.929 0.120 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.030 3.269 -0.899 1.00 15.00 H new ATOM 0 HD13 LEU A 236 6.120 2.195 0.190 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.033 4.144 2.538 1.00 15.00 H new ATOM 0 HD22 LEU A 236 6.454 2.422 2.697 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.567 3.670 3.306 1.00 15.00 H new ATOM 35 N PRO A 237 11.417 0.957 1.554 1.00 15.00 N ATOM 36 CA PRO A 237 12.364 0.162 0.779 1.00 15.00 C ATOM 37 C PRO A 237 11.797 -0.120 -0.601 1.00 15.00 C ATOM 38 O PRO A 237 10.580 -0.111 -0.800 1.00 15.00 O ATOM 39 CB PRO A 237 12.495 -1.145 1.574 1.00 15.00 C ATOM 40 CG PRO A 237 11.857 -0.898 2.902 1.00 15.00 C ATOM 41 CD PRO A 237 10.888 0.237 2.722 1.00 15.00 C ATOM 0 HA PRO A 237 13.321 0.664 0.636 1.00 15.00 H new ATOM 0 HB2 PRO A 237 12.003 -1.967 1.054 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.542 -1.424 1.692 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.342 -1.792 3.254 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.609 -0.648 3.650 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.875 -0.124 2.546 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.850 0.876 3.604 1.00 15.00 H new ATOM 49 N GLU A 238 12.677 -0.386 -1.544 1.00 15.00 N ATOM 50 CA GLU A 238 12.266 -0.514 -2.937 1.00 15.00 C ATOM 51 C GLU A 238 11.444 -1.769 -3.165 1.00 15.00 C ATOM 52 O GLU A 238 11.883 -2.890 -2.903 1.00 15.00 O ATOM 53 CB GLU A 238 13.470 -0.496 -3.870 1.00 15.00 C ATOM 54 CG GLU A 238 14.037 0.897 -4.063 1.00 15.00 C ATOM 55 CD GLU A 238 15.205 0.933 -5.021 1.00 15.00 C ATOM 56 OE1 GLU A 238 14.993 0.700 -6.228 1.00 15.00 O ATOM 57 OE2 GLU A 238 16.332 1.234 -4.579 1.00 15.00 O1- ATOM 0 H GLU A 238 13.675 -0.518 -1.379 1.00 15.00 H new ATOM 0 HA GLU A 238 11.638 0.347 -3.165 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.246 -1.148 -3.468 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.181 -0.904 -4.838 1.00 15.00 H new ATOM 0 HG2 GLU A 238 13.251 1.555 -4.433 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.354 1.291 -3.097 1.00 15.00 H new ATOM 64 N GLY A 239 10.243 -1.542 -3.666 1.00 15.00 N ATOM 65 CA GLY A 239 9.289 -2.605 -3.870 1.00 15.00 C ATOM 66 C GLY A 239 7.886 -2.167 -3.494 1.00 15.00 C ATOM 67 O GLY A 239 6.903 -2.790 -3.894 1.00 15.00 O ATOM 0 H GLY A 239 9.907 -0.619 -3.940 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.307 -2.917 -4.914 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.574 -3.472 -3.273 1.00 15.00 H new ATOM 71 N TYR A 240 7.800 -1.095 -2.714 1.00 15.00 N ATOM 72 CA TYR A 240 6.514 -0.555 -2.277 1.00 15.00 C ATOM 73 C TYR A 240 6.133 0.655 -3.112 1.00 15.00 C ATOM 74 O TYR A 240 6.978 1.504 -3.409 1.00 15.00 O ATOM 75 CB TYR A 240 6.583 -0.114 -0.809 1.00 15.00 C ATOM 76 CG TYR A 240 7.000 -1.199 0.144 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.303 -1.279 0.596 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.097 -2.151 0.575 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.705 -2.282 1.445 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.483 -3.159 1.434 1.00 15.00 C ATOM 81 CZ TYR A 240 7.792 -3.225 1.862 1.00 15.00 C ATOM 82 OH TYR A 240 8.181 -4.242 2.705 1.00 15.00 O ATOM 0 H TYR A 240 8.609 -0.579 -2.369 1.00 15.00 H new ATOM 0 HA TYR A 240 5.771 -1.343 -2.396 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.283 0.717 -0.724 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.605 0.261 -0.508 1.00 15.00 H new ATOM 0 HD1 TYR A 240 9.020 -0.538 0.276 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.073 -2.106 0.234 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.730 -2.330 1.783 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.764 -3.892 1.769 1.00 15.00 H new ATOM 0 HH TYR A 240 7.412 -4.817 2.900 1.00 15.00 H new ATOM 92 N GLU A 241 4.869 0.746 -3.472 1.00 15.00 N ATOM 93 CA GLU A 241 4.344 1.960 -4.065 1.00 15.00 C ATOM 94 C GLU A 241 3.359 2.606 -3.101 1.00 15.00 C ATOM 95 O GLU A 241 2.547 1.920 -2.477 1.00 15.00 O ATOM 96 CB GLU A 241 3.673 1.682 -5.415 1.00 15.00 C ATOM 97 CG GLU A 241 2.494 0.723 -5.353 1.00 15.00 C ATOM 98 CD GLU A 241 1.744 0.653 -6.668 1.00 15.00 C ATOM 99 OE1 GLU A 241 2.285 0.089 -7.641 1.00 15.00 O ATOM 100 OE2 GLU A 241 0.616 1.186 -6.748 1.00 15.00 O1- ATOM 0 H GLU A 241 4.187 -0.005 -3.365 1.00 15.00 H new ATOM 0 HA GLU A 241 5.173 2.642 -4.251 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.333 2.627 -5.838 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.418 1.276 -6.099 1.00 15.00 H new ATOM 0 HG2 GLU A 241 2.851 -0.272 -5.087 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.812 1.039 -4.564 1.00 15.00 H new ATOM 107 N GLN A 242 3.432 3.919 -2.977 1.00 15.00 N ATOM 108 CA GLN A 242 2.490 4.639 -2.145 1.00 15.00 C ATOM 109 C GLN A 242 1.299 5.032 -2.996 1.00 15.00 C ATOM 110 O GLN A 242 1.349 5.997 -3.761 1.00 15.00 O ATOM 111 CB GLN A 242 3.139 5.877 -1.522 1.00 15.00 C ATOM 112 CG GLN A 242 2.234 6.606 -0.542 1.00 15.00 C ATOM 113 CD GLN A 242 2.899 7.822 0.070 1.00 15.00 C ATOM 114 OE1 GLN A 242 4.118 7.860 0.243 1.00 15.00 O ATOM 115 NE2 GLN A 242 2.103 8.828 0.393 1.00 15.00 N ATOM 0 H GLN A 242 4.129 4.503 -3.439 1.00 15.00 H new ATOM 0 HA GLN A 242 2.166 3.997 -1.326 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.053 5.579 -1.008 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.430 6.564 -2.317 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.323 6.914 -1.055 1.00 15.00 H new ATOM 0 HG3 GLN A 242 1.937 5.921 0.252 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.098 8.755 0.233 1.00 15.00 H new ATOM 0 HE22 GLN A 242 2.494 9.677 0.802 1.00 15.00 H new ATOM 124 N ARG A 243 0.252 4.237 -2.909 1.00 15.00 N ATOM 125 CA ARG A 243 -0.874 4.392 -3.798 1.00 15.00 C ATOM 126 C ARG A 243 -1.958 5.253 -3.181 1.00 15.00 C ATOM 127 O ARG A 243 -2.517 4.926 -2.132 1.00 15.00 O ATOM 128 CB ARG A 243 -1.434 3.031 -4.191 1.00 15.00 C ATOM 129 CG ARG A 243 -2.520 3.146 -5.233 1.00 15.00 C ATOM 130 CD ARG A 243 -2.799 1.828 -5.918 1.00 15.00 C ATOM 131 NE ARG A 243 -3.453 1.986 -7.228 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.403 2.885 -7.548 1.00 15.00 C ATOM 133 NH1 ARG A 243 -4.939 3.687 -6.638 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.855 2.932 -8.793 1.00 15.00 N ATOM 0 H ARG A 243 0.160 3.479 -2.232 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.519 4.899 -4.695 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.629 2.405 -4.574 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.831 2.533 -3.306 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.434 3.510 -4.763 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.228 3.886 -5.978 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.861 1.288 -6.049 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.431 1.217 -5.274 1.00 15.00 H new ATOM 0 HE ARG A 243 -3.156 1.350 -7.968 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -4.633 3.632 -5.666 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -5.657 4.359 -6.910 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -4.483 2.292 -9.495 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.575 3.608 -9.049 1.00 15.00 H new ATOM 148 N THR A 244 -2.258 6.346 -3.862 1.00 15.00 N ATOM 149 CA THR A 244 -3.273 7.276 -3.415 1.00 15.00 C ATOM 150 C THR A 244 -4.502 7.178 -4.307 1.00 15.00 C ATOM 151 O THR A 244 -4.484 7.607 -5.459 1.00 15.00 O ATOM 152 CB THR A 244 -2.742 8.725 -3.422 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.504 8.792 -2.695 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.750 9.675 -2.795 1.00 15.00 C ATOM 0 H THR A 244 -1.805 6.610 -4.737 1.00 15.00 H new ATOM 0 HA THR A 244 -3.543 7.012 -2.392 1.00 15.00 H new ATOM 0 HB THR A 244 -2.579 9.025 -4.457 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.169 9.713 -2.703 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.353 10.690 -2.812 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.682 9.641 -3.359 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.939 9.376 -1.764 1.00 15.00 H new ATOM 162 N THR A 245 -5.553 6.577 -3.779 1.00 15.00 N ATOM 163 CA THR A 245 -6.809 6.464 -4.496 1.00 15.00 C ATOM 164 C THR A 245 -7.686 7.672 -4.186 1.00 15.00 C ATOM 165 O THR A 245 -7.558 8.262 -3.112 1.00 15.00 O ATOM 166 CB THR A 245 -7.544 5.141 -4.154 1.00 15.00 C ATOM 167 OG1 THR A 245 -8.889 5.160 -4.647 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.556 4.876 -2.655 1.00 15.00 C ATOM 0 H THR A 245 -5.560 6.157 -2.849 1.00 15.00 H new ATOM 0 HA THR A 245 -6.596 6.444 -5.565 1.00 15.00 H new ATOM 0 HB THR A 245 -6.994 4.337 -4.643 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.332 4.316 -4.421 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.079 3.941 -2.455 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.531 4.804 -2.290 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.066 5.693 -2.145 1.00 15.00 H new ATOM 176 N VAL A 246 -8.536 8.058 -5.143 1.00 15.00 N ATOM 177 CA VAL A 246 -9.448 9.198 -4.978 1.00 15.00 C ATOM 178 C VAL A 246 -10.236 9.076 -3.671 1.00 15.00 C ATOM 179 O VAL A 246 -10.691 10.073 -3.098 1.00 15.00 O ATOM 180 CB VAL A 246 -10.425 9.296 -6.175 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.390 10.463 -6.009 1.00 15.00 C ATOM 182 CG2 VAL A 246 -9.653 9.422 -7.481 1.00 15.00 C ATOM 0 H VAL A 246 -8.612 7.594 -6.048 1.00 15.00 H new ATOM 0 HA VAL A 246 -8.846 10.106 -4.942 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.014 8.379 -6.203 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.062 10.504 -6.866 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -11.972 10.327 -5.097 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -10.827 11.394 -5.945 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.354 9.490 -8.313 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.035 10.319 -7.453 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.017 8.547 -7.613 1.00 15.00 H new ATOM 192 N GLN A 247 -10.365 7.833 -3.212 1.00 15.00 N ATOM 193 CA GLN A 247 -10.921 7.497 -1.906 1.00 15.00 C ATOM 194 C GLN A 247 -10.347 8.387 -0.795 1.00 15.00 C ATOM 195 O GLN A 247 -11.033 8.712 0.174 1.00 15.00 O ATOM 196 CB GLN A 247 -10.593 6.032 -1.618 1.00 15.00 C ATOM 197 CG GLN A 247 -10.961 5.547 -0.235 1.00 15.00 C ATOM 198 CD GLN A 247 -12.457 5.405 -0.049 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.136 6.324 0.411 1.00 15.00 O ATOM 200 NE2 GLN A 247 -12.981 4.257 -0.430 1.00 15.00 N ATOM 0 H GLN A 247 -10.079 7.015 -3.750 1.00 15.00 H new ATOM 0 HA GLN A 247 -11.998 7.662 -1.925 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.107 5.411 -2.351 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.524 5.881 -1.765 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.482 4.585 -0.052 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.570 6.244 0.507 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.381 3.522 -0.806 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -13.986 4.103 -0.349 1.00 15.00 H new ATOM 209 N GLY A 248 -9.077 8.753 -0.929 1.00 15.00 N ATOM 210 CA GLY A 248 -8.437 9.595 0.060 1.00 15.00 C ATOM 211 C GLY A 248 -7.468 8.825 0.930 1.00 15.00 C ATOM 212 O GLY A 248 -6.642 9.412 1.629 1.00 15.00 O ATOM 0 H GLY A 248 -8.479 8.479 -1.709 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -7.906 10.403 -0.443 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.199 10.056 0.689 1.00 15.00 H new ATOM 216 N GLN A 249 -7.570 7.508 0.894 1.00 15.00 N ATOM 217 CA GLN A 249 -6.715 6.656 1.703 1.00 15.00 C ATOM 218 C GLN A 249 -5.537 6.139 0.893 1.00 15.00 C ATOM 219 O GLN A 249 -5.703 5.646 -0.224 1.00 15.00 O ATOM 220 CB GLN A 249 -7.504 5.477 2.274 1.00 15.00 C ATOM 221 CG GLN A 249 -8.367 5.817 3.481 1.00 15.00 C ATOM 222 CD GLN A 249 -9.622 6.578 3.116 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.629 7.807 3.079 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.693 5.848 2.845 1.00 15.00 N ATOM 0 H GLN A 249 -8.238 7.004 0.311 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.336 7.260 2.527 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -8.143 5.071 1.490 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.804 4.690 2.555 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.644 4.896 3.994 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -7.781 6.409 4.184 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.641 4.830 2.888 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -11.570 6.303 2.593 1.00 15.00 H new ATOM 233 N VAL A 250 -4.350 6.248 1.464 1.00 15.00 N ATOM 234 CA VAL A 250 -3.153 5.709 0.844 1.00 15.00 C ATOM 235 C VAL A 250 -2.916 4.280 1.321 1.00 15.00 C ATOM 236 O VAL A 250 -2.918 4.010 2.520 1.00 15.00 O ATOM 237 CB VAL A 250 -1.907 6.576 1.144 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.007 7.916 0.433 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.736 6.787 2.642 1.00 15.00 C ATOM 0 H VAL A 250 -4.190 6.707 2.360 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.310 5.715 -0.235 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.031 6.045 0.772 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.122 8.513 0.655 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.074 7.753 -0.643 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.897 8.444 0.776 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.853 7.399 2.825 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.616 7.291 3.041 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.616 5.822 3.134 1.00 15.00 H new ATOM 249 N TYR A 251 -2.743 3.364 0.381 1.00 15.00 N ATOM 250 CA TYR A 251 -2.489 1.977 0.727 1.00 15.00 C ATOM 251 C TYR A 251 -1.168 1.503 0.126 1.00 15.00 C ATOM 252 O TYR A 251 -0.910 1.691 -1.066 1.00 15.00 O ATOM 253 CB TYR A 251 -3.680 1.069 0.333 1.00 15.00 C ATOM 254 CG TYR A 251 -4.161 1.119 -1.114 1.00 15.00 C ATOM 255 CD1 TYR A 251 -4.916 2.181 -1.604 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.918 0.054 -1.975 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.401 2.168 -2.898 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.385 0.038 -3.255 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.134 1.095 -3.720 1.00 15.00 C ATOM 260 OH TYR A 251 -5.618 1.085 -5.007 1.00 15.00 O ATOM 0 H TYR A 251 -2.774 3.555 -0.620 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.393 1.905 1.810 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.406 0.039 0.560 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.523 1.323 0.976 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.125 3.026 -0.965 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.341 -0.786 -1.618 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -5.988 2.997 -3.264 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.169 -0.800 -3.901 1.00 15.00 H new ATOM 0 HH TYR A 251 -5.301 0.282 -5.470 1.00 15.00 H new ATOM 270 N PHE A 252 -0.335 0.888 0.967 1.00 15.00 N ATOM 271 CA PHE A 252 1.022 0.506 0.579 1.00 15.00 C ATOM 272 C PHE A 252 1.057 -0.880 -0.012 1.00 15.00 C ATOM 273 O PHE A 252 0.906 -1.876 0.701 1.00 15.00 O ATOM 274 CB PHE A 252 1.980 0.558 1.773 1.00 15.00 C ATOM 275 CG PHE A 252 2.380 1.958 2.141 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.143 2.459 3.415 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.963 2.790 1.201 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.477 3.759 3.737 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.306 4.088 1.522 1.00 15.00 C ATOM 280 CZ PHE A 252 3.060 4.575 2.790 1.00 15.00 C ATOM 0 H PHE A 252 -0.579 0.643 1.927 1.00 15.00 H new ATOM 0 HA PHE A 252 1.344 1.226 -0.173 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.507 0.083 2.633 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.874 -0.021 1.541 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.692 1.823 4.163 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.152 2.419 0.204 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.282 4.137 4.730 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.767 4.723 0.780 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.323 5.592 3.040 1.00 15.00 H new ATOM 290 N LEU A 253 1.244 -0.936 -1.319 1.00 15.00 N ATOM 291 CA LEU A 253 1.313 -2.201 -2.022 1.00 15.00 C ATOM 292 C LEU A 253 2.701 -2.544 -2.522 1.00 15.00 C ATOM 293 O LEU A 253 3.416 -1.736 -3.117 1.00 15.00 O ATOM 294 CB LEU A 253 0.257 -2.302 -3.130 1.00 15.00 C ATOM 295 CG LEU A 253 -1.065 -2.922 -2.674 1.00 15.00 C ATOM 296 CD1 LEU A 253 -0.989 -4.430 -2.861 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.339 -2.568 -1.222 1.00 15.00 C ATOM 0 H LEU A 253 1.351 -0.115 -1.915 1.00 15.00 H new ATOM 0 HA LEU A 253 1.077 -2.962 -1.279 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.062 -1.305 -3.524 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.661 -2.895 -3.950 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.886 -2.527 -3.272 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -1.926 -4.884 -2.539 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.818 -4.658 -3.913 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.169 -4.830 -2.265 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.283 -3.015 -0.910 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.532 -2.949 -0.596 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.399 -1.485 -1.117 1.00 15.00 H new ATOM 309 N HIS A 254 3.038 -3.786 -2.255 1.00 15.00 N ATOM 310 CA HIS A 254 4.306 -4.383 -2.622 1.00 15.00 C ATOM 311 C HIS A 254 4.043 -5.790 -3.079 1.00 15.00 C ATOM 312 O HIS A 254 3.778 -6.660 -2.245 1.00 15.00 O ATOM 313 CB HIS A 254 5.251 -4.430 -1.411 1.00 15.00 C ATOM 314 CG HIS A 254 6.422 -5.375 -1.547 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.554 -6.518 -0.782 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.494 -5.361 -2.373 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.648 -7.165 -1.138 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.239 -6.481 -2.100 1.00 15.00 N ATOM 0 H HIS A 254 2.419 -4.429 -1.761 1.00 15.00 H new ATOM 0 HA HIS A 254 4.771 -3.790 -3.410 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.634 -3.426 -1.230 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.675 -4.715 -0.531 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.722 -4.607 -3.112 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.999 -8.094 -0.715 1.00 15.00 H new ATOM 0 HE2 HIS A 254 9.108 -6.742 -2.565 1.00 15.00 H new ATOM 327 N THR A 255 4.072 -6.062 -4.363 1.00 15.00 N ATOM 328 CA THR A 255 3.851 -7.428 -4.729 1.00 15.00 C ATOM 329 C THR A 255 5.167 -8.142 -4.978 1.00 15.00 C ATOM 330 O THR A 255 5.704 -8.157 -6.080 1.00 15.00 O ATOM 331 CB THR A 255 2.959 -7.521 -5.982 1.00 15.00 C ATOM 332 OG1 THR A 255 3.455 -6.645 -7.004 1.00 15.00 O ATOM 333 CG2 THR A 255 1.523 -7.156 -5.648 1.00 15.00 C ATOM 0 H THR A 255 4.235 -5.401 -5.122 1.00 15.00 H new ATOM 0 HA THR A 255 3.341 -7.916 -3.898 1.00 15.00 H new ATOM 0 HB THR A 255 2.982 -8.549 -6.344 1.00 15.00 H new ATOM 0 HG1 THR A 255 4.395 -6.853 -7.185 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.911 -7.228 -6.547 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.140 -7.841 -4.892 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.486 -6.136 -5.265 1.00 15.00 H new ATOM 341 N GLN A 256 5.703 -8.673 -3.895 1.00 15.00 N ATOM 342 CA GLN A 256 6.491 -9.886 -3.892 1.00 15.00 C ATOM 343 C GLN A 256 5.582 -10.988 -3.399 1.00 15.00 C ATOM 344 O GLN A 256 5.411 -12.036 -4.018 1.00 15.00 O ATOM 345 CB GLN A 256 7.703 -9.753 -2.974 1.00 15.00 C ATOM 346 CG GLN A 256 8.572 -10.995 -2.909 1.00 15.00 C ATOM 347 CD GLN A 256 9.586 -10.931 -1.783 1.00 15.00 C ATOM 348 OE1 GLN A 256 10.040 -9.852 -1.401 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.938 -12.086 -1.237 1.00 15.00 N ATOM 0 H GLN A 256 5.598 -8.259 -2.969 1.00 15.00 H new ATOM 0 HA GLN A 256 6.871 -10.098 -4.891 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.311 -8.915 -3.313 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.359 -9.511 -1.969 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.939 -11.872 -2.775 1.00 15.00 H new ATOM 0 HG3 GLN A 256 9.094 -11.121 -3.858 1.00 15.00 H new ATOM 0 HE21 GLN A 256 9.537 -12.957 -1.584 1.00 15.00 H new ATOM 0 HE22 GLN A 256 10.610 -12.104 -0.469 1.00 15.00 H new ATOM 358 N THR A 257 5.000 -10.689 -2.235 1.00 15.00 N ATOM 359 CA THR A 257 4.172 -11.608 -1.497 1.00 15.00 C ATOM 360 C THR A 257 2.792 -11.049 -1.279 1.00 15.00 C ATOM 361 O THR A 257 2.053 -11.415 -0.364 1.00 15.00 O ATOM 362 CB THR A 257 4.776 -11.857 -0.144 1.00 15.00 C ATOM 363 OG1 THR A 257 4.936 -10.606 0.544 1.00 15.00 O ATOM 364 CG2 THR A 257 6.125 -12.551 -0.245 1.00 15.00 C ATOM 0 H THR A 257 5.101 -9.781 -1.782 1.00 15.00 H new ATOM 0 HA THR A 257 4.107 -12.528 -2.078 1.00 15.00 H new ATOM 0 HB THR A 257 4.102 -12.512 0.407 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.328 -10.766 1.428 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.527 -12.712 0.755 1.00 15.00 H new ATOM 0 HG22 THR A 257 6.004 -13.511 -0.746 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.813 -11.928 -0.816 1.00 15.00 H new ATOM 372 N GLY A 258 2.491 -10.207 -2.181 1.00 15.00 N ATOM 373 CA GLY A 258 1.267 -9.425 -2.171 1.00 15.00 C ATOM 374 C GLY A 258 1.031 -8.687 -0.861 1.00 15.00 C ATOM 375 O GLY A 258 0.206 -9.106 -0.054 1.00 15.00 O ATOM 0 H GLY A 258 3.090 -10.016 -2.984 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.300 -8.702 -2.986 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.421 -10.085 -2.365 1.00 15.00 H new ATOM 379 N VAL A 259 1.756 -7.592 -0.637 1.00 15.00 N ATOM 380 CA VAL A 259 1.506 -6.759 0.540 1.00 15.00 C ATOM 381 C VAL A 259 0.486 -5.688 0.257 1.00 15.00 C ATOM 382 O VAL A 259 0.722 -4.781 -0.530 1.00 15.00 O ATOM 383 CB VAL A 259 2.778 -6.091 1.121 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.417 -5.074 2.194 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.645 -7.161 1.722 1.00 15.00 C ATOM 0 H VAL A 259 2.509 -7.264 -1.243 1.00 15.00 H new ATOM 0 HA VAL A 259 1.125 -7.454 1.288 1.00 15.00 H new ATOM 0 HB VAL A 259 3.305 -5.571 0.321 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.327 -4.620 2.586 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.782 -4.300 1.763 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.883 -5.573 3.003 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.546 -6.709 2.136 1.00 15.00 H new ATOM 0 HG22 VAL A 259 3.097 -7.671 2.515 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.922 -7.881 0.951 1.00 15.00 H new ATOM 395 N SER A 260 -0.638 -5.823 0.924 1.00 15.00 N ATOM 396 CA SER A 260 -1.689 -4.812 0.901 1.00 15.00 C ATOM 397 C SER A 260 -2.021 -4.410 2.325 1.00 15.00 C ATOM 398 O SER A 260 -2.624 -5.180 3.075 1.00 15.00 O ATOM 399 CB SER A 260 -2.948 -5.296 0.161 1.00 15.00 C ATOM 400 OG SER A 260 -3.306 -6.616 0.549 1.00 15.00 O ATOM 0 H SER A 260 -0.856 -6.635 1.501 1.00 15.00 H new ATOM 0 HA SER A 260 -1.320 -3.947 0.349 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.776 -4.618 0.368 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.773 -5.267 -0.914 1.00 15.00 H new ATOM 0 HG SER A 260 -3.233 -6.702 1.523 1.00 15.00 H new ATOM 406 N THR A 261 -1.602 -3.218 2.706 1.00 15.00 N ATOM 407 CA THR A 261 -1.647 -2.840 4.112 1.00 15.00 C ATOM 408 C THR A 261 -1.844 -1.342 4.325 1.00 15.00 C ATOM 409 O THR A 261 -1.463 -0.522 3.484 1.00 15.00 O ATOM 410 CB THR A 261 -0.374 -3.298 4.852 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.490 -3.011 6.252 1.00 15.00 O ATOM 412 CG2 THR A 261 0.868 -2.619 4.293 1.00 15.00 C ATOM 0 H THR A 261 -1.233 -2.504 2.078 1.00 15.00 H new ATOM 0 HA THR A 261 -2.518 -3.349 4.526 1.00 15.00 H new ATOM 0 HB THR A 261 -0.271 -4.373 4.705 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.667 -3.841 6.742 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.747 -2.964 4.837 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.974 -2.867 3.237 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.773 -1.539 4.404 1.00 15.00 H new ATOM 420 N TRP A 262 -2.485 -1.013 5.447 1.00 15.00 N ATOM 421 CA TRP A 262 -2.671 0.370 5.872 1.00 15.00 C ATOM 422 C TRP A 262 -1.388 0.970 6.449 1.00 15.00 C ATOM 423 O TRP A 262 -1.250 2.191 6.519 1.00 15.00 O ATOM 424 CB TRP A 262 -3.766 0.464 6.939 1.00 15.00 C ATOM 425 CG TRP A 262 -5.167 0.480 6.408 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.237 -0.228 6.885 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.660 1.244 5.304 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.359 0.077 6.170 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.032 0.968 5.192 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.080 2.140 4.400 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -7.828 1.551 4.227 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -5.882 2.709 3.432 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.246 2.408 3.362 1.00 15.00 C ATOM 0 H TRP A 262 -2.889 -1.699 6.085 1.00 15.00 H new ATOM 0 HA TRP A 262 -2.957 0.932 4.983 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.661 -0.380 7.621 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.605 1.369 7.525 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.199 -0.927 7.708 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.291 -0.301 6.340 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.029 2.381 4.458 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -8.883 1.328 4.166 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -5.451 3.396 2.719 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -7.849 2.873 2.596 1.00 15.00 H new ATOM 444 N HIS A 263 -0.463 0.125 6.894 1.00 15.00 N ATOM 445 CA HIS A 263 0.720 0.620 7.594 1.00 15.00 C ATOM 446 C HIS A 263 1.897 0.778 6.639 1.00 15.00 C ATOM 447 O HIS A 263 2.162 -0.098 5.814 1.00 15.00 O ATOM 448 CB HIS A 263 1.103 -0.299 8.780 1.00 15.00 C ATOM 449 CG HIS A 263 2.030 -1.443 8.448 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.404 -1.356 8.570 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.779 -2.700 8.012 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.950 -2.507 8.220 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.989 -3.337 7.881 1.00 15.00 N ATOM 0 H HIS A 263 -0.506 -0.888 6.786 1.00 15.00 H new ATOM 0 HA HIS A 263 0.471 1.602 7.997 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.571 0.311 9.552 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.188 -0.709 9.208 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.917 -0.531 8.882 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.807 -3.124 7.805 1.00 15.00 H new ATOM 0 HE1 HIS A 263 5.007 -2.728 8.214 1.00 15.00 H new ATOM 462 N ASP A 264 2.595 1.903 6.761 1.00 15.00 N ATOM 463 CA ASP A 264 3.858 2.107 6.060 1.00 15.00 C ATOM 464 C ASP A 264 4.812 0.982 6.442 1.00 15.00 C ATOM 465 O ASP A 264 5.047 0.735 7.618 1.00 15.00 O ATOM 466 CB ASP A 264 4.441 3.482 6.433 1.00 15.00 C ATOM 467 CG ASP A 264 5.701 3.846 5.668 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.669 3.065 5.698 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.739 4.938 5.062 1.00 15.00 O1- ATOM 0 H ASP A 264 2.306 2.690 7.341 1.00 15.00 H new ATOM 0 HA ASP A 264 3.704 2.090 4.981 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.685 4.247 6.253 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.660 3.495 7.501 1.00 15.00 H new ATOM 474 N PRO A 265 5.341 0.249 5.464 1.00 15.00 N ATOM 475 CA PRO A 265 6.170 -0.923 5.727 1.00 15.00 C ATOM 476 C PRO A 265 7.533 -0.587 6.274 1.00 15.00 C ATOM 477 O PRO A 265 8.251 -1.463 6.761 1.00 15.00 O ATOM 478 CB PRO A 265 6.289 -1.614 4.371 1.00 15.00 C ATOM 479 CG PRO A 265 5.309 -0.921 3.484 1.00 15.00 C ATOM 480 CD PRO A 265 5.163 0.465 4.028 1.00 15.00 C ATOM 0 HA PRO A 265 5.718 -1.549 6.497 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.302 -1.532 3.976 1.00 15.00 H new ATOM 0 HB3 PRO A 265 6.063 -2.677 4.451 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.664 -0.900 2.454 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.351 -1.441 3.481 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.913 1.144 3.622 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.187 0.893 3.798 1.00 15.00 H new ATOM 488 N ARG A 266 7.906 0.663 6.160 1.00 15.00 N ATOM 489 CA ARG A 266 9.131 1.126 6.752 1.00 15.00 C ATOM 490 C ARG A 266 8.891 1.352 8.226 1.00 15.00 C ATOM 491 O ARG A 266 9.816 1.571 9.009 1.00 15.00 O ATOM 492 CB ARG A 266 9.569 2.405 6.085 1.00 15.00 C ATOM 493 CG ARG A 266 11.021 2.745 6.337 1.00 15.00 C ATOM 494 CD ARG A 266 11.968 1.776 5.656 1.00 15.00 C ATOM 495 NE ARG A 266 13.360 2.055 6.002 1.00 15.00 N ATOM 496 CZ ARG A 266 14.394 1.833 5.193 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.194 1.352 3.970 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.627 2.106 5.603 1.00 15.00 N ATOM 0 H ARG A 266 7.376 1.378 5.661 1.00 15.00 H new ATOM 0 HA ARG A 266 9.920 0.386 6.619 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.404 2.321 5.011 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.944 3.224 6.441 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.222 3.756 5.981 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.211 2.741 7.410 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.717 0.756 5.947 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.841 1.840 4.575 1.00 15.00 H new ATOM 0 HE ARG A 266 13.552 2.446 6.924 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.247 1.152 3.649 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.988 1.183 3.352 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.782 2.485 6.537 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.420 1.936 4.984 1.00 15.00 H new ATOM 574 N ASP B 211 -3.415 -5.172 -7.372 1.00 15.00 N ATOM 575 CA ASP B 211 -4.181 -6.412 -7.447 1.00 15.00 C ATOM 576 C ASP B 211 -5.273 -6.514 -6.355 1.00 15.00 C ATOM 577 O ASP B 211 -6.248 -7.245 -6.543 1.00 15.00 O ATOM 578 CB ASP B 211 -3.260 -7.630 -7.351 1.00 15.00 C ATOM 579 CG ASP B 211 -2.262 -7.704 -8.482 1.00 15.00 C ATOM 580 OD1 ASP B 211 -1.049 -7.663 -8.206 1.00 15.00 O ATOM 581 OD2 ASP B 211 -2.688 -7.803 -9.654 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.679 -6.397 -8.416 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.724 -7.600 -6.402 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.865 -8.537 -7.347 1.00 15.00 H new ATOM 586 N PRO B 212 -5.144 -5.830 -5.184 1.00 15.00 N ATOM 587 CA PRO B 212 -6.104 -5.926 -4.105 1.00 15.00 C ATOM 588 C PRO B 212 -7.095 -4.762 -4.127 1.00 15.00 C ATOM 589 O PRO B 212 -6.827 -3.709 -4.716 1.00 15.00 O ATOM 590 CB PRO B 212 -5.189 -5.832 -2.894 1.00 15.00 C ATOM 591 CG PRO B 212 -4.196 -4.852 -3.271 1.00 15.00 C ATOM 592 CD PRO B 212 -4.074 -4.902 -4.775 1.00 15.00 C ATOM 0 HA PRO B 212 -6.725 -6.821 -4.142 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.737 -5.521 -2.005 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.731 -6.795 -2.666 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.492 -3.856 -2.941 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.238 -5.072 -2.799 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.208 -3.916 -5.220 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.093 -5.261 -5.085 1.00 15.00 H new ATOM 600 N GLY B 213 -8.224 -4.935 -3.469 1.00 15.00 N ATOM 601 CA GLY B 213 -9.191 -3.867 -3.400 1.00 15.00 C ATOM 602 C GLY B 213 -8.924 -2.991 -2.198 1.00 15.00 C ATOM 603 O GLY B 213 -8.260 -3.422 -1.251 1.00 15.00 O ATOM 0 H GLY B 213 -8.489 -5.792 -2.983 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.147 -3.269 -4.310 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.197 -4.282 -3.339 1.00 15.00 H new ATOM 621 N PRO B 215 -9.542 -0.758 1.201 1.00 15.00 N ATOM 622 CA PRO B 215 -10.270 -1.015 2.444 1.00 15.00 C ATOM 623 C PRO B 215 -11.029 0.199 2.976 1.00 15.00 C ATOM 624 O PRO B 215 -10.478 1.287 3.125 1.00 15.00 O ATOM 625 CB PRO B 215 -9.128 -1.386 3.427 1.00 15.00 C ATOM 626 CG PRO B 215 -7.879 -1.399 2.600 1.00 15.00 C ATOM 627 CD PRO B 215 -8.148 -0.445 1.480 1.00 15.00 C ATOM 0 HA PRO B 215 -11.037 -1.777 2.306 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.055 -0.660 4.237 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.305 -2.359 3.886 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.014 -1.087 3.186 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.665 -2.399 2.224 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.007 0.594 1.777 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.502 -0.621 0.620 1.00 15.00 H new ATOM 635 N PHE B 216 -12.312 -0.002 3.255 1.00 15.00 N ATOM 636 CA PHE B 216 -13.129 1.019 3.893 1.00 15.00 C ATOM 637 C PHE B 216 -13.041 0.870 5.406 1.00 15.00 C ATOM 638 O PHE B 216 -13.783 0.084 6.003 1.00 15.00 O ATOM 639 CB PHE B 216 -14.594 0.917 3.458 1.00 15.00 C ATOM 640 CG PHE B 216 -14.856 1.292 2.024 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.523 0.430 0.991 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.449 2.506 1.713 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.780 0.770 -0.323 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.707 2.851 0.401 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.372 1.983 -0.619 1.00 15.00 C ATOM 0 H PHE B 216 -12.809 -0.868 3.047 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.749 1.994 3.588 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.936 -0.105 3.619 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.195 1.559 4.102 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.057 -0.518 1.216 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.712 3.190 2.506 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.518 0.088 -1.119 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -16.171 3.799 0.173 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.572 2.251 -1.646 1.00 15.00 H new