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 113:sc= -1.57! USER MOD Set 1.2: A 263 HIS : no HE2:sc= -2.35! K(o=-3.9!,f=1) USER MOD Set 2.1: A 242 GLN : amide:sc= 0.36 K(o=1.2,f=0.057) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.00491 USER MOD Single : A 247 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.14) USER MOD Single : A 249 GLN : amide:sc= -5.13! K(o=-5.1!,f=-1.2) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.867 USER MOD Single : A 254 HIS : no HD1:sc= -3.8! K(o=-3.8!,f=-2.5) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -0.633 K(o=-0.63,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 47:sc= 0.0588 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 11.082 4.500 2.056 1.00 15.00 N ATOM 17 CA LEU A 236 10.646 3.117 2.136 1.00 15.00 C ATOM 18 C LEU A 236 11.653 2.241 1.418 1.00 15.00 C ATOM 19 O LEU A 236 12.383 2.717 0.545 1.00 15.00 O ATOM 20 CB LEU A 236 9.263 2.898 1.491 1.00 15.00 C ATOM 21 CG LEU A 236 8.179 3.940 1.787 1.00 15.00 C ATOM 22 CD1 LEU A 236 8.148 4.283 3.263 1.00 15.00 C ATOM 23 CD2 LEU A 236 8.378 5.181 0.936 1.00 15.00 C ATOM 0 HA LEU A 236 10.571 2.858 3.192 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.398 2.849 0.411 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.892 1.924 1.810 1.00 15.00 H new ATOM 0 HG LEU A 236 7.212 3.510 1.527 1.00 15.00 H new ATOM 0 HD11 LEU A 236 7.371 5.024 3.448 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.937 3.384 3.841 1.00 15.00 H new ATOM 0 HD13 LEU A 236 9.114 4.688 3.563 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.597 5.907 1.163 1.00 15.00 H new ATOM 0 HD22 LEU A 236 9.353 5.618 1.152 1.00 15.00 H new ATOM 0 HD23 LEU A 236 8.327 4.911 -0.119 1.00 15.00 H new ATOM 35 N PRO A 237 11.681 0.951 1.745 1.00 15.00 N ATOM 36 CA PRO A 237 12.494 -0.018 1.007 1.00 15.00 C ATOM 37 C PRO A 237 11.919 -0.232 -0.390 1.00 15.00 C ATOM 38 O PRO A 237 10.701 -0.213 -0.574 1.00 15.00 O ATOM 39 CB PRO A 237 12.372 -1.306 1.838 1.00 15.00 C ATOM 40 CG PRO A 237 11.792 -0.888 3.152 1.00 15.00 C ATOM 41 CD PRO A 237 10.979 0.345 2.883 1.00 15.00 C ATOM 0 HA PRO A 237 13.527 0.305 0.875 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.730 -2.033 1.341 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.345 -1.779 1.972 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.171 -1.679 3.572 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.580 -0.683 3.877 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.945 0.103 2.639 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.955 1.011 3.746 1.00 15.00 H new ATOM 49 N GLU A 238 12.784 -0.443 -1.370 1.00 15.00 N ATOM 50 CA GLU A 238 12.351 -0.477 -2.761 1.00 15.00 C ATOM 51 C GLU A 238 11.514 -1.704 -3.062 1.00 15.00 C ATOM 52 O GLU A 238 11.934 -2.844 -2.848 1.00 15.00 O ATOM 53 CB GLU A 238 13.542 -0.402 -3.710 1.00 15.00 C ATOM 54 CG GLU A 238 14.157 0.979 -3.771 1.00 15.00 C ATOM 55 CD GLU A 238 15.328 1.052 -4.725 1.00 15.00 C ATOM 56 OE1 GLU A 238 15.128 1.472 -5.886 1.00 15.00 O ATOM 57 OE2 GLU A 238 16.451 0.672 -4.334 1.00 15.00 O1- ATOM 0 H GLU A 238 13.783 -0.592 -1.231 1.00 15.00 H new ATOM 0 HA GLU A 238 11.725 0.401 -2.920 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.300 -1.118 -3.392 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.223 -0.697 -4.710 1.00 15.00 H new ATOM 0 HG2 GLU A 238 13.397 1.698 -4.078 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.487 1.270 -2.774 1.00 15.00 H new ATOM 64 N GLY A 239 10.330 -1.444 -3.577 1.00 15.00 N ATOM 65 CA GLY A 239 9.384 -2.499 -3.867 1.00 15.00 C ATOM 66 C GLY A 239 7.961 -2.080 -3.564 1.00 15.00 C ATOM 67 O GLY A 239 7.009 -2.676 -4.064 1.00 15.00 O ATOM 0 H GLY A 239 10.000 -0.506 -3.804 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.464 -2.780 -4.917 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.635 -3.383 -3.281 1.00 15.00 H new ATOM 71 N TYR A 240 7.817 -1.057 -2.732 1.00 15.00 N ATOM 72 CA TYR A 240 6.499 -0.536 -2.388 1.00 15.00 C ATOM 73 C TYR A 240 6.108 0.573 -3.346 1.00 15.00 C ATOM 74 O TYR A 240 6.851 1.540 -3.523 1.00 15.00 O ATOM 75 CB TYR A 240 6.479 0.028 -0.959 1.00 15.00 C ATOM 76 CG TYR A 240 6.889 -0.963 0.096 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.159 -0.924 0.648 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.023 -1.957 0.512 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.556 -1.850 1.581 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.407 -2.887 1.456 1.00 15.00 C ATOM 81 CZ TYR A 240 7.679 -2.834 1.985 1.00 15.00 C ATOM 82 OH TYR A 240 8.074 -3.767 2.916 1.00 15.00 O ATOM 0 H TYR A 240 8.594 -0.572 -2.283 1.00 15.00 H new ATOM 0 HA TYR A 240 5.793 -1.363 -2.458 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.144 0.891 -0.911 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.474 0.387 -0.735 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.849 -0.152 0.339 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.030 -2.006 0.091 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.552 -1.808 1.997 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.716 -3.652 1.778 1.00 15.00 H new ATOM 0 HH TYR A 240 7.336 -4.388 3.090 1.00 15.00 H new ATOM 92 N GLU A 241 4.949 0.439 -3.955 1.00 15.00 N ATOM 93 CA GLU A 241 4.397 1.501 -4.766 1.00 15.00 C ATOM 94 C GLU A 241 3.387 2.283 -3.937 1.00 15.00 C ATOM 95 O GLU A 241 2.486 1.706 -3.318 1.00 15.00 O ATOM 96 CB GLU A 241 3.771 0.929 -6.048 1.00 15.00 C ATOM 97 CG GLU A 241 2.736 -0.160 -5.813 1.00 15.00 C ATOM 98 CD GLU A 241 2.462 -0.975 -7.063 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.697 -0.510 -7.927 1.00 15.00 O ATOM 100 OE2 GLU A 241 3.026 -2.086 -7.191 1.00 15.00 O1- ATOM 0 H GLU A 241 4.370 -0.399 -3.903 1.00 15.00 H new ATOM 0 HA GLU A 241 5.188 2.183 -5.078 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.304 1.742 -6.603 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.565 0.528 -6.677 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.082 -0.822 -5.019 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.807 0.293 -5.467 1.00 15.00 H new ATOM 107 N GLN A 242 3.538 3.597 -3.918 1.00 15.00 N ATOM 108 CA GLN A 242 2.700 4.437 -3.083 1.00 15.00 C ATOM 109 C GLN A 242 1.464 4.845 -3.861 1.00 15.00 C ATOM 110 O GLN A 242 1.515 5.695 -4.750 1.00 15.00 O ATOM 111 CB GLN A 242 3.485 5.668 -2.602 1.00 15.00 C ATOM 112 CG GLN A 242 2.857 6.416 -1.425 1.00 15.00 C ATOM 113 CD GLN A 242 1.754 7.376 -1.826 1.00 15.00 C ATOM 114 OE1 GLN A 242 2.012 8.541 -2.123 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.517 6.910 -1.807 1.00 15.00 N ATOM 0 H GLN A 242 4.231 4.102 -4.470 1.00 15.00 H new ATOM 0 HA GLN A 242 2.389 3.878 -2.200 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.489 5.352 -2.318 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.593 6.360 -3.437 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.454 5.690 -0.719 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.636 6.971 -0.902 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.342 5.937 -1.555 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.263 7.523 -2.044 1.00 15.00 H new ATOM 124 N ARG A 243 0.360 4.197 -3.536 1.00 15.00 N ATOM 125 CA ARG A 243 -0.880 4.394 -4.253 1.00 15.00 C ATOM 126 C ARG A 243 -1.854 5.234 -3.435 1.00 15.00 C ATOM 127 O ARG A 243 -1.996 5.048 -2.226 1.00 15.00 O ATOM 128 CB ARG A 243 -1.488 3.037 -4.602 1.00 15.00 C ATOM 129 CG ARG A 243 -2.796 3.150 -5.346 1.00 15.00 C ATOM 130 CD ARG A 243 -3.093 1.906 -6.158 1.00 15.00 C ATOM 131 NE ARG A 243 -4.324 2.068 -6.919 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.397 2.541 -8.159 1.00 15.00 C ATOM 133 NH1 ARG A 243 -3.306 2.820 -8.854 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.582 2.713 -8.718 1.00 15.00 N ATOM 0 H ARG A 243 0.301 3.524 -2.772 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.674 4.937 -5.175 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.779 2.473 -5.208 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.646 2.469 -3.685 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.604 3.321 -4.635 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.764 4.016 -6.007 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.265 1.703 -6.837 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.180 1.045 -5.495 1.00 15.00 H new ATOM 0 HE ARG A 243 -5.197 1.798 -6.466 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.386 2.673 -8.439 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.385 3.182 -9.804 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -6.429 2.483 -8.198 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.649 3.075 -9.669 1.00 15.00 H new ATOM 148 N THR A 244 -2.542 6.130 -4.121 1.00 15.00 N ATOM 149 CA THR A 244 -3.425 7.090 -3.491 1.00 15.00 C ATOM 150 C THR A 244 -4.778 7.103 -4.195 1.00 15.00 C ATOM 151 O THR A 244 -4.895 7.567 -5.329 1.00 15.00 O ATOM 152 CB THR A 244 -2.818 8.506 -3.541 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.442 8.464 -3.135 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.585 9.462 -2.640 1.00 15.00 C ATOM 0 H THR A 244 -2.502 6.211 -5.137 1.00 15.00 H new ATOM 0 HA THR A 244 -3.555 6.794 -2.450 1.00 15.00 H new ATOM 0 HB THR A 244 -2.887 8.867 -4.567 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.063 9.367 -3.170 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.135 10.453 -2.695 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.623 9.516 -2.967 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.547 9.102 -1.612 1.00 15.00 H new ATOM 162 N THR A 245 -5.790 6.583 -3.530 1.00 15.00 N ATOM 163 CA THR A 245 -7.130 6.542 -4.091 1.00 15.00 C ATOM 164 C THR A 245 -7.948 7.749 -3.628 1.00 15.00 C ATOM 165 O THR A 245 -7.702 8.296 -2.547 1.00 15.00 O ATOM 166 CB THR A 245 -7.853 5.217 -3.740 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.231 5.273 -4.136 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.756 4.906 -2.254 1.00 15.00 C ATOM 0 H THR A 245 -5.711 6.181 -2.596 1.00 15.00 H new ATOM 0 HA THR A 245 -7.036 6.587 -5.176 1.00 15.00 H new ATOM 0 HB THR A 245 -7.355 4.418 -4.289 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.671 4.428 -3.908 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.274 3.970 -2.044 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.708 4.813 -1.969 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.217 5.712 -1.683 1.00 15.00 H new ATOM 176 N VAL A 246 -8.892 8.178 -4.477 1.00 15.00 N ATOM 177 CA VAL A 246 -9.785 9.313 -4.191 1.00 15.00 C ATOM 178 C VAL A 246 -10.493 9.130 -2.853 1.00 15.00 C ATOM 179 O VAL A 246 -11.027 10.072 -2.265 1.00 15.00 O ATOM 180 CB VAL A 246 -10.836 9.459 -5.308 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.915 8.388 -5.206 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.439 10.854 -5.313 1.00 15.00 C ATOM 0 H VAL A 246 -9.060 7.747 -5.386 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.174 10.214 -4.144 1.00 15.00 H new ATOM 0 HB VAL A 246 -10.326 9.314 -6.260 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.639 8.523 -6.010 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -11.458 7.402 -5.290 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -12.421 8.472 -4.244 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -12.177 10.928 -6.111 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -11.921 11.046 -4.354 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -10.652 11.590 -5.477 1.00 15.00 H new ATOM 192 N GLN A 247 -10.494 7.887 -2.411 1.00 15.00 N ATOM 193 CA GLN A 247 -10.954 7.495 -1.084 1.00 15.00 C ATOM 194 C GLN A 247 -10.339 8.380 0.010 1.00 15.00 C ATOM 195 O GLN A 247 -10.874 8.478 1.115 1.00 15.00 O ATOM 196 CB GLN A 247 -10.545 6.044 -0.853 1.00 15.00 C ATOM 197 CG GLN A 247 -11.297 5.326 0.245 1.00 15.00 C ATOM 198 CD GLN A 247 -12.778 5.205 -0.057 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.589 6.031 0.371 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.131 4.202 -0.840 1.00 15.00 N ATOM 0 H GLN A 247 -10.169 7.101 -2.974 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.037 7.612 -1.033 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -10.681 5.493 -1.784 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.481 6.017 -0.619 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.874 4.331 0.382 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -11.163 5.861 1.185 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.428 3.542 -1.171 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.107 4.088 -1.114 1.00 15.00 H new ATOM 209 N GLY A 248 -9.189 8.984 -0.294 1.00 15.00 N ATOM 210 CA GLY A 248 -8.527 9.865 0.651 1.00 15.00 C ATOM 211 C GLY A 248 -7.530 9.119 1.509 1.00 15.00 C ATOM 212 O GLY A 248 -7.003 9.653 2.483 1.00 15.00 O ATOM 0 H GLY A 248 -8.704 8.876 -1.185 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.017 10.662 0.110 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.272 10.340 1.289 1.00 15.00 H new ATOM 216 N GLN A 249 -7.265 7.879 1.131 1.00 15.00 N ATOM 217 CA GLN A 249 -6.404 7.006 1.908 1.00 15.00 C ATOM 218 C GLN A 249 -5.350 6.386 1.008 1.00 15.00 C ATOM 219 O GLN A 249 -5.642 5.993 -0.124 1.00 15.00 O ATOM 220 CB GLN A 249 -7.237 5.900 2.557 1.00 15.00 C ATOM 221 CG GLN A 249 -8.533 6.396 3.156 1.00 15.00 C ATOM 222 CD GLN A 249 -9.316 5.311 3.860 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.144 5.080 5.055 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.185 4.640 3.118 1.00 15.00 N ATOM 0 H GLN A 249 -7.638 7.453 0.283 1.00 15.00 H new ATOM 0 HA GLN A 249 -5.914 7.592 2.685 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.459 5.137 1.811 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.645 5.420 3.337 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.316 7.196 3.864 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.149 6.827 2.367 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.294 4.867 2.130 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.745 3.897 3.535 1.00 15.00 H new ATOM 233 N VAL A 250 -4.135 6.289 1.508 1.00 15.00 N ATOM 234 CA VAL A 250 -3.054 5.691 0.751 1.00 15.00 C ATOM 235 C VAL A 250 -2.813 4.258 1.211 1.00 15.00 C ATOM 236 O VAL A 250 -2.609 3.998 2.397 1.00 15.00 O ATOM 237 CB VAL A 250 -1.748 6.516 0.867 1.00 15.00 C ATOM 238 CG1 VAL A 250 -1.926 7.888 0.234 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.308 6.663 2.319 1.00 15.00 C ATOM 0 H VAL A 250 -3.871 6.617 2.437 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.351 5.685 -0.298 1.00 15.00 H new ATOM 0 HB VAL A 250 -0.968 5.975 0.331 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -0.999 8.454 0.325 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.179 7.772 -0.820 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.728 8.422 0.743 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.389 7.247 2.363 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.088 7.171 2.886 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.132 5.676 2.747 1.00 15.00 H new ATOM 249 N TYR A 251 -2.875 3.322 0.280 1.00 15.00 N ATOM 250 CA TYR A 251 -2.592 1.937 0.605 1.00 15.00 C ATOM 251 C TYR A 251 -1.268 1.512 -0.021 1.00 15.00 C ATOM 252 O TYR A 251 -1.050 1.675 -1.224 1.00 15.00 O ATOM 253 CB TYR A 251 -3.766 1.000 0.225 1.00 15.00 C ATOM 254 CG TYR A 251 -4.309 1.082 -1.197 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.921 0.162 -2.173 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.269 2.031 -1.550 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.457 0.178 -3.430 1.00 15.00 C ATOM 258 CE2 TYR A 251 -5.805 2.061 -2.822 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.402 1.132 -3.758 1.00 15.00 C ATOM 260 OH TYR A 251 -5.954 1.153 -5.015 1.00 15.00 O ATOM 0 H TYR A 251 -3.116 3.494 -0.696 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.488 1.849 1.686 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.446 -0.027 0.403 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.590 1.200 0.910 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -3.178 -0.582 -1.928 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -5.598 2.753 -0.817 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -4.144 -0.551 -4.163 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -6.538 2.810 -3.083 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.601 1.887 -5.076 1.00 15.00 H new ATOM 270 N PHE A 252 -0.388 0.961 0.813 1.00 15.00 N ATOM 271 CA PHE A 252 0.978 0.649 0.406 1.00 15.00 C ATOM 272 C PHE A 252 1.070 -0.742 -0.164 1.00 15.00 C ATOM 273 O PHE A 252 0.973 -1.734 0.561 1.00 15.00 O ATOM 274 CB PHE A 252 1.948 0.769 1.582 1.00 15.00 C ATOM 275 CG PHE A 252 2.360 2.184 1.877 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.142 2.742 3.128 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.954 2.962 0.897 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.508 4.045 3.393 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.326 4.266 1.160 1.00 15.00 C ATOM 280 CZ PHE A 252 3.102 4.809 2.409 1.00 15.00 C ATOM 0 H PHE A 252 -0.600 0.721 1.781 1.00 15.00 H new ATOM 0 HA PHE A 252 1.254 1.372 -0.361 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.484 0.341 2.471 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.838 0.176 1.371 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.680 2.149 3.904 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.128 2.544 -0.084 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.330 4.468 4.371 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.792 4.861 0.388 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.391 5.829 2.616 1.00 15.00 H new ATOM 290 N LEU A 253 1.242 -0.809 -1.471 1.00 15.00 N ATOM 291 CA LEU A 253 1.284 -2.078 -2.158 1.00 15.00 C ATOM 292 C LEU A 253 2.670 -2.470 -2.619 1.00 15.00 C ATOM 293 O LEU A 253 3.425 -1.689 -3.191 1.00 15.00 O ATOM 294 CB LEU A 253 0.245 -2.146 -3.285 1.00 15.00 C ATOM 295 CG LEU A 253 -1.102 -2.712 -2.841 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.106 -4.196 -3.127 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.331 -2.422 -1.369 1.00 15.00 C ATOM 0 H LEU A 253 1.355 0.005 -2.076 1.00 15.00 H new ATOM 0 HA LEU A 253 1.009 -2.832 -1.420 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.094 -1.145 -3.689 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.639 -2.761 -4.094 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.918 -2.241 -3.390 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.060 -4.624 -2.818 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.964 -4.361 -4.195 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.298 -4.675 -2.575 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.294 -2.830 -1.063 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.538 -2.883 -0.780 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.325 -1.344 -1.205 1.00 15.00 H new ATOM 309 N HIS A 254 2.963 -3.720 -2.339 1.00 15.00 N ATOM 310 CA HIS A 254 4.227 -4.353 -2.669 1.00 15.00 C ATOM 311 C HIS A 254 3.942 -5.770 -3.065 1.00 15.00 C ATOM 312 O HIS A 254 3.673 -6.607 -2.198 1.00 15.00 O ATOM 313 CB HIS A 254 5.173 -4.353 -1.453 1.00 15.00 C ATOM 314 CG HIS A 254 6.339 -5.312 -1.531 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.284 -6.599 -1.029 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.588 -5.168 -2.033 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.443 -7.201 -1.224 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.257 -6.354 -1.827 1.00 15.00 N ATOM 0 H HIS A 254 2.313 -4.345 -1.862 1.00 15.00 H new ATOM 0 HA HIS A 254 4.708 -3.805 -3.479 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.564 -3.344 -1.320 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.591 -4.589 -0.562 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.987 -4.284 -2.508 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.684 -8.214 -0.939 1.00 15.00 H new ATOM 0 HE2 HIS A 254 9.222 -6.546 -2.096 1.00 15.00 H new ATOM 327 N THR A 255 3.953 -6.080 -4.336 1.00 15.00 N ATOM 328 CA THR A 255 3.693 -7.456 -4.647 1.00 15.00 C ATOM 329 C THR A 255 4.978 -8.189 -4.975 1.00 15.00 C ATOM 330 O THR A 255 5.423 -8.265 -6.118 1.00 15.00 O ATOM 331 CB THR A 255 2.700 -7.580 -5.823 1.00 15.00 C ATOM 332 OG1 THR A 255 1.539 -6.776 -5.564 1.00 15.00 O ATOM 333 CG2 THR A 255 2.279 -9.029 -6.025 1.00 15.00 C ATOM 0 H THR A 255 4.126 -5.450 -5.119 1.00 15.00 H new ATOM 0 HA THR A 255 3.245 -7.914 -3.765 1.00 15.00 H new ATOM 0 HB THR A 255 3.195 -7.231 -6.729 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.912 -6.856 -6.313 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.579 -9.092 -6.859 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.158 -9.636 -6.242 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.798 -9.398 -5.119 1.00 15.00 H new ATOM 341 N GLN A 256 5.577 -8.697 -3.915 1.00 15.00 N ATOM 342 CA GLN A 256 6.339 -9.921 -3.917 1.00 15.00 C ATOM 343 C GLN A 256 5.449 -10.999 -3.330 1.00 15.00 C ATOM 344 O GLN A 256 5.320 -12.100 -3.855 1.00 15.00 O ATOM 345 CB GLN A 256 7.628 -9.776 -3.105 1.00 15.00 C ATOM 346 CG GLN A 256 8.379 -11.079 -2.901 1.00 15.00 C ATOM 347 CD GLN A 256 9.587 -10.930 -1.995 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.921 -11.842 -1.241 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.267 -9.797 -2.083 1.00 15.00 N ATOM 0 H GLN A 256 5.542 -8.249 -2.999 1.00 15.00 H new ATOM 0 HA GLN A 256 6.641 -10.178 -4.932 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.284 -9.065 -3.608 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.386 -9.352 -2.131 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.702 -11.820 -2.476 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.702 -11.461 -3.869 1.00 15.00 H new ATOM 0 HE21 GLN A 256 9.957 -9.064 -2.721 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.101 -9.657 -1.513 1.00 15.00 H new ATOM 358 N THR A 257 4.844 -10.632 -2.192 1.00 15.00 N ATOM 359 CA THR A 257 4.019 -11.526 -1.407 1.00 15.00 C ATOM 360 C THR A 257 2.646 -10.949 -1.179 1.00 15.00 C ATOM 361 O THR A 257 1.913 -11.295 -0.250 1.00 15.00 O ATOM 362 CB THR A 257 4.655 -11.774 -0.061 1.00 15.00 C ATOM 363 OG1 THR A 257 4.955 -10.515 0.566 1.00 15.00 O ATOM 364 CG2 THR A 257 5.929 -12.594 -0.179 1.00 15.00 C ATOM 0 H THR A 257 4.922 -9.695 -1.797 1.00 15.00 H new ATOM 0 HA THR A 257 3.930 -12.458 -1.965 1.00 15.00 H new ATOM 0 HB THR A 257 3.946 -12.341 0.543 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.366 -10.675 1.441 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.355 -12.750 0.812 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.700 -13.559 -0.631 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.647 -12.062 -0.803 1.00 15.00 H new ATOM 372 N GLY A 258 2.339 -10.120 -2.094 1.00 15.00 N ATOM 373 CA GLY A 258 1.100 -9.358 -2.101 1.00 15.00 C ATOM 374 C GLY A 258 0.866 -8.564 -0.821 1.00 15.00 C ATOM 375 O GLY A 258 0.029 -8.941 -0.002 1.00 15.00 O ATOM 0 H GLY A 258 2.941 -9.927 -2.894 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.110 -8.672 -2.948 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.264 -10.041 -2.253 1.00 15.00 H new ATOM 379 N VAL A 259 1.595 -7.466 -0.644 1.00 15.00 N ATOM 380 CA VAL A 259 1.353 -6.583 0.501 1.00 15.00 C ATOM 381 C VAL A 259 0.336 -5.523 0.160 1.00 15.00 C ATOM 382 O VAL A 259 0.544 -4.723 -0.743 1.00 15.00 O ATOM 383 CB VAL A 259 2.628 -5.882 1.043 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.263 -4.820 2.071 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.525 -6.912 1.683 1.00 15.00 C ATOM 0 H VAL A 259 2.347 -7.167 -1.265 1.00 15.00 H new ATOM 0 HA VAL A 259 0.981 -7.242 1.286 1.00 15.00 H new ATOM 0 HB VAL A 259 3.144 -5.399 0.213 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.171 -4.341 2.438 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.620 -4.072 1.608 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.737 -5.286 2.904 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.422 -6.426 2.066 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.996 -7.395 2.504 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.806 -7.661 0.942 1.00 15.00 H new ATOM 395 N SER A 260 -0.744 -5.534 0.913 1.00 15.00 N ATOM 396 CA SER A 260 -1.784 -4.517 0.807 1.00 15.00 C ATOM 397 C SER A 260 -2.200 -4.084 2.193 1.00 15.00 C ATOM 398 O SER A 260 -2.869 -4.823 2.913 1.00 15.00 O ATOM 399 CB SER A 260 -2.999 -5.000 0.003 1.00 15.00 C ATOM 400 OG SER A 260 -3.377 -6.314 0.378 1.00 15.00 O ATOM 0 H SER A 260 -0.931 -6.247 1.618 1.00 15.00 H new ATOM 0 HA SER A 260 -1.370 -3.669 0.262 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.836 -4.320 0.161 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.766 -4.976 -1.061 1.00 15.00 H new ATOM 0 HG SER A 260 -3.402 -6.381 1.355 1.00 15.00 H new ATOM 406 N THR A 261 -1.772 -2.901 2.579 1.00 15.00 N ATOM 407 CA THR A 261 -1.921 -2.479 3.963 1.00 15.00 C ATOM 408 C THR A 261 -2.073 -0.968 4.117 1.00 15.00 C ATOM 409 O THR A 261 -1.587 -0.191 3.288 1.00 15.00 O ATOM 410 CB THR A 261 -0.744 -2.975 4.826 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.957 -2.614 6.195 1.00 15.00 O ATOM 412 CG2 THR A 261 0.578 -2.398 4.337 1.00 15.00 C ATOM 0 H THR A 261 -1.323 -2.220 1.967 1.00 15.00 H new ATOM 0 HA THR A 261 -2.846 -2.935 4.314 1.00 15.00 H new ATOM 0 HB THR A 261 -0.693 -4.060 4.740 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.100 -3.424 6.728 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.390 -2.765 4.965 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.750 -2.705 3.305 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.542 -1.310 4.390 1.00 15.00 H new ATOM 420 N TRP A 262 -2.794 -0.574 5.167 1.00 15.00 N ATOM 421 CA TRP A 262 -2.929 0.829 5.539 1.00 15.00 C ATOM 422 C TRP A 262 -1.608 1.394 6.059 1.00 15.00 C ATOM 423 O TRP A 262 -1.339 2.587 5.924 1.00 15.00 O ATOM 424 CB TRP A 262 -3.976 1.005 6.646 1.00 15.00 C ATOM 425 CG TRP A 262 -5.403 0.864 6.213 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.349 0.046 6.767 1.00 15.00 C ATOM 427 CD2 TRP A 262 -6.058 1.568 5.155 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.548 0.218 6.143 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.395 1.138 5.147 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.656 2.523 4.212 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.319 1.625 4.248 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.595 2.995 3.314 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.910 2.540 3.350 1.00 15.00 C ATOM 0 H TRP A 262 -3.297 -1.217 5.779 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.235 1.362 4.639 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.778 0.273 7.429 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.846 1.991 7.092 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.171 -0.639 7.583 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.416 -0.262 6.381 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.638 2.882 4.187 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.343 1.282 4.264 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.304 3.727 2.575 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.621 2.932 2.638 1.00 15.00 H new ATOM 444 N HIS A 263 -0.801 0.542 6.687 1.00 15.00 N ATOM 445 CA HIS A 263 0.379 1.014 7.402 1.00 15.00 C ATOM 446 C HIS A 263 1.574 1.142 6.467 1.00 15.00 C ATOM 447 O HIS A 263 1.823 0.271 5.634 1.00 15.00 O ATOM 448 CB HIS A 263 0.719 0.087 8.594 1.00 15.00 C ATOM 449 CG HIS A 263 1.649 -1.057 8.283 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.014 -0.994 8.482 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.408 -2.294 7.788 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.565 -2.137 8.115 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.612 -2.940 7.695 1.00 15.00 N ATOM 0 H HIS A 263 -0.941 -0.468 6.715 1.00 15.00 H new ATOM 0 HA HIS A 263 0.149 2.004 7.796 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.165 0.690 9.385 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.211 -0.321 8.991 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.519 -0.190 8.855 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.444 -2.697 7.516 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.618 -2.372 8.153 1.00 15.00 H new ATOM 462 N ASP A 264 2.308 2.234 6.621 1.00 15.00 N ATOM 463 CA ASP A 264 3.580 2.406 5.938 1.00 15.00 C ATOM 464 C ASP A 264 4.503 1.261 6.335 1.00 15.00 C ATOM 465 O ASP A 264 4.702 1.006 7.513 1.00 15.00 O ATOM 466 CB ASP A 264 4.190 3.761 6.315 1.00 15.00 C ATOM 467 CG ASP A 264 5.478 4.079 5.582 1.00 15.00 C ATOM 468 OD1 ASP A 264 5.571 5.178 4.992 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.408 3.252 5.614 1.00 15.00 O1- ATOM 0 H ASP A 264 2.042 3.018 7.217 1.00 15.00 H new ATOM 0 HA ASP A 264 3.437 2.391 4.857 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.463 4.546 6.109 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.381 3.777 7.388 1.00 15.00 H new ATOM 474 N PRO A 265 5.048 0.524 5.367 1.00 15.00 N ATOM 475 CA PRO A 265 5.861 -0.662 5.643 1.00 15.00 C ATOM 476 C PRO A 265 7.183 -0.356 6.294 1.00 15.00 C ATOM 477 O PRO A 265 7.860 -1.251 6.800 1.00 15.00 O ATOM 478 CB PRO A 265 6.089 -1.277 4.267 1.00 15.00 C ATOM 479 CG PRO A 265 5.070 -0.639 3.390 1.00 15.00 C ATOM 480 CD PRO A 265 4.897 0.742 3.926 1.00 15.00 C ATOM 0 HA PRO A 265 5.353 -1.317 6.351 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.099 -1.079 3.908 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.966 -2.360 4.293 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.402 -0.619 2.352 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.130 -1.191 3.414 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.647 1.429 3.535 1.00 15.00 H new ATOM 0 HD3 PRO A 265 3.922 1.159 3.675 1.00 15.00 H new ATOM 488 N ARG A 266 7.568 0.892 6.258 1.00 15.00 N ATOM 489 CA ARG A 266 8.760 1.310 6.931 1.00 15.00 C ATOM 490 C ARG A 266 8.432 1.527 8.391 1.00 15.00 C ATOM 491 O ARG A 266 9.302 1.774 9.226 1.00 15.00 O ATOM 492 CB ARG A 266 9.274 2.576 6.296 1.00 15.00 C ATOM 493 CG ARG A 266 10.725 2.837 6.616 1.00 15.00 C ATOM 494 CD ARG A 266 11.643 1.845 5.928 1.00 15.00 C ATOM 495 NE ARG A 266 12.978 1.835 6.522 1.00 15.00 N ATOM 496 CZ ARG A 266 14.087 2.204 5.887 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.028 2.681 4.651 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.250 2.114 6.507 1.00 15.00 N ATOM 0 H ARG A 266 7.070 1.635 5.768 1.00 15.00 H new ATOM 0 HA ARG A 266 9.538 0.551 6.850 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.150 2.512 5.215 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.673 3.419 6.637 1.00 15.00 H new ATOM 0 HG2 ARG A 266 10.988 3.849 6.308 1.00 15.00 H new ATOM 0 HG3 ARG A 266 10.874 2.783 7.694 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.210 0.846 5.990 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.719 2.094 4.870 1.00 15.00 H new ATOM 0 HE ARG A 266 13.065 1.524 7.489 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.127 2.767 4.180 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.883 2.962 4.171 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.292 1.764 7.464 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.106 2.394 6.029 1.00 15.00 H new ATOM 574 N ASP B 211 -3.460 -5.174 -7.453 1.00 15.00 N ATOM 575 CA ASP B 211 -4.350 -6.324 -7.536 1.00 15.00 C ATOM 576 C ASP B 211 -5.436 -6.348 -6.425 1.00 15.00 C ATOM 577 O ASP B 211 -6.452 -7.021 -6.594 1.00 15.00 O ATOM 578 CB ASP B 211 -3.530 -7.620 -7.484 1.00 15.00 C ATOM 579 CG ASP B 211 -4.390 -8.869 -7.532 1.00 15.00 C ATOM 580 OD1 ASP B 211 -4.690 -9.436 -6.460 1.00 15.00 O ATOM 581 OD2 ASP B 211 -4.775 -9.288 -8.645 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.877 -6.241 -8.487 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.831 -7.635 -8.320 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -2.935 -7.630 -6.571 1.00 15.00 H new ATOM 586 N PRO B 212 -5.275 -5.638 -5.273 1.00 15.00 N ATOM 587 CA PRO B 212 -6.177 -5.761 -4.146 1.00 15.00 C ATOM 588 C PRO B 212 -7.231 -4.660 -4.138 1.00 15.00 C ATOM 589 O PRO B 212 -7.051 -3.610 -4.747 1.00 15.00 O ATOM 590 CB PRO B 212 -5.212 -5.580 -2.981 1.00 15.00 C ATOM 591 CG PRO B 212 -4.256 -4.589 -3.442 1.00 15.00 C ATOM 592 CD PRO B 212 -4.259 -4.624 -4.949 1.00 15.00 C ATOM 0 HA PRO B 212 -6.744 -6.692 -4.138 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.732 -5.241 -2.085 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.718 -6.518 -2.727 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.528 -3.597 -3.081 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.261 -4.807 -3.055 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.514 -3.652 -5.371 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.281 -4.897 -5.345 1.00 15.00 H new ATOM 600 N GLY B 213 -8.316 -4.882 -3.428 1.00 15.00 N ATOM 601 CA GLY B 213 -9.314 -3.847 -3.308 1.00 15.00 C ATOM 602 C GLY B 213 -9.022 -2.963 -2.116 1.00 15.00 C ATOM 603 O GLY B 213 -8.331 -3.383 -1.184 1.00 15.00 O ATOM 0 H GLY B 213 -8.525 -5.750 -2.936 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.334 -3.246 -4.217 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.301 -4.297 -3.201 1.00 15.00 H new ATOM 621 N PRO B 215 -9.734 -0.791 1.295 1.00 15.00 N ATOM 622 CA PRO B 215 -10.499 -1.032 2.521 1.00 15.00 C ATOM 623 C PRO B 215 -11.234 0.210 3.031 1.00 15.00 C ATOM 624 O PRO B 215 -10.789 1.343 2.850 1.00 15.00 O ATOM 625 CB PRO B 215 -9.383 -1.430 3.528 1.00 15.00 C ATOM 626 CG PRO B 215 -8.118 -1.476 2.731 1.00 15.00 C ATOM 627 CD PRO B 215 -8.338 -0.519 1.605 1.00 15.00 C ATOM 0 HA PRO B 215 -11.283 -1.775 2.372 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.309 -0.704 4.338 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.594 -2.397 3.984 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.259 -1.184 3.336 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.920 -2.482 2.361 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.174 0.517 1.903 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.679 -0.716 0.759 1.00 15.00 H new ATOM 635 N PHE B 216 -12.383 -0.021 3.653 1.00 15.00 N ATOM 636 CA PHE B 216 -13.146 1.042 4.295 1.00 15.00 C ATOM 637 C PHE B 216 -13.002 0.931 5.807 1.00 15.00 C ATOM 638 O PHE B 216 -13.505 1.765 6.563 1.00 15.00 O ATOM 639 CB PHE B 216 -14.628 0.959 3.912 1.00 15.00 C ATOM 640 CG PHE B 216 -14.914 1.273 2.470 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.784 0.302 1.490 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.328 2.542 2.100 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.063 0.591 0.167 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.605 2.838 0.780 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.472 1.862 -0.188 1.00 15.00 C ATOM 0 H PHE B 216 -12.810 -0.944 3.727 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.755 2.001 3.956 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.992 -0.045 4.132 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.193 1.648 4.540 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.461 -0.692 1.763 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.435 3.309 2.853 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.961 -0.175 -0.587 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.925 3.832 0.505 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.687 2.092 -1.221 1.00 15.00 H new