USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 271 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 100:sc= -1.08 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.8 K(o=-1.9,f=0.19) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.4!) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 167:sc= -2.19! USER MOD Single : A 247 GLN : amide:sc= -0.188 K(o=-0.19,f=-3.2!) USER MOD Single : A 249 GLN : amide:sc= -2.13 K(o=-2.1,f=-1.3) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS : no HD1:sc= -0.901 K(o=-0.9,f=-0.17) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -1.4! K(o=-1.4!,f=-0.044) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 236 -9.209 4.807 -1.917 1.00 15.00 N ATOM 19 CA LEU A 236 -9.306 3.707 -0.974 1.00 15.00 C ATOM 20 C LEU A 236 -10.301 4.029 0.126 1.00 15.00 C ATOM 21 O LEU A 236 -10.649 5.188 0.354 1.00 15.00 O ATOM 22 CB LEU A 236 -7.951 3.402 -0.298 1.00 15.00 C ATOM 23 CG LEU A 236 -6.708 3.334 -1.195 1.00 15.00 C ATOM 24 CD1 LEU A 236 -6.953 2.437 -2.387 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.272 4.720 -1.640 1.00 15.00 C ATOM 0 HA LEU A 236 -9.630 2.840 -1.550 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -7.776 4.164 0.462 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.042 2.448 0.222 1.00 15.00 H new ATOM 0 HG LEU A 236 -5.897 2.904 -0.607 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.058 2.405 -3.008 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.192 1.431 -2.042 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -7.786 2.828 -2.971 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.389 4.638 -2.274 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.078 5.193 -2.201 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.035 5.325 -0.765 1.00 15.00 H new ATOM 37 N PRO A 237 -10.765 2.986 0.816 1.00 15.00 N ATOM 38 CA PRO A 237 -11.418 3.123 2.116 1.00 15.00 C ATOM 39 C PRO A 237 -10.413 3.544 3.159 1.00 15.00 C ATOM 40 O PRO A 237 -9.204 3.562 2.918 1.00 15.00 O ATOM 41 CB PRO A 237 -11.945 1.708 2.405 1.00 15.00 C ATOM 42 CG PRO A 237 -11.910 1.002 1.090 1.00 15.00 C ATOM 43 CD PRO A 237 -10.751 1.593 0.349 1.00 15.00 C ATOM 0 HA PRO A 237 -12.207 3.875 2.126 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.324 1.199 3.142 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.957 1.739 2.808 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.783 -0.072 1.225 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.841 1.147 0.542 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.814 1.091 0.591 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.880 1.524 -0.731 1.00 15.00 H new ATOM 51 N GLU A 238 -10.919 3.872 4.311 1.00 15.00 N ATOM 52 CA GLU A 238 -10.071 4.384 5.381 1.00 15.00 C ATOM 53 C GLU A 238 -9.151 3.310 5.938 1.00 15.00 C ATOM 54 O GLU A 238 -9.523 2.138 6.060 1.00 15.00 O ATOM 55 CB GLU A 238 -10.908 4.950 6.522 1.00 15.00 C ATOM 56 CG GLU A 238 -11.571 6.268 6.192 1.00 15.00 C ATOM 57 CD GLU A 238 -12.235 6.891 7.400 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.317 6.419 7.803 1.00 15.00 O ATOM 59 OE2 GLU A 238 -11.663 7.844 7.969 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.909 3.800 4.547 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.465 5.176 4.941 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.675 4.225 6.793 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.272 5.082 7.397 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -10.827 6.957 5.792 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.314 6.113 5.410 1.00 15.00 H new ATOM 66 N GLY A 239 -7.958 3.750 6.312 1.00 15.00 N ATOM 67 CA GLY A 239 -6.952 2.865 6.863 1.00 15.00 C ATOM 68 C GLY A 239 -5.899 2.454 5.852 1.00 15.00 C ATOM 69 O GLY A 239 -5.086 1.576 6.125 1.00 15.00 O ATOM 0 H GLY A 239 -7.665 4.725 6.241 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.465 3.358 7.705 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.439 1.972 7.255 1.00 15.00 H new ATOM 73 N TYR A 240 -5.893 3.091 4.689 1.00 15.00 N ATOM 74 CA TYR A 240 -4.887 2.791 3.677 1.00 15.00 C ATOM 75 C TYR A 240 -4.013 4.001 3.404 1.00 15.00 C ATOM 76 O TYR A 240 -4.507 5.073 3.054 1.00 15.00 O ATOM 77 CB TYR A 240 -5.528 2.330 2.361 1.00 15.00 C ATOM 78 CG TYR A 240 -6.351 1.074 2.499 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.741 -0.138 2.764 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.732 1.104 2.395 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.483 -1.290 2.920 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.484 -0.037 2.559 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.856 -1.235 2.822 1.00 15.00 C ATOM 84 OH TYR A 240 -8.601 -2.381 2.991 1.00 15.00 O ATOM 0 H TYR A 240 -6.565 3.811 4.424 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.274 1.981 4.073 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.161 3.129 1.975 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.743 2.161 1.624 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.665 -0.183 2.850 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.228 2.040 2.181 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.990 -2.230 3.118 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.560 0.006 2.482 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.553 -2.170 2.892 1.00 15.00 H new ATOM 94 N GLU A 241 -2.716 3.818 3.569 1.00 15.00 N ATOM 95 CA GLU A 241 -1.747 4.820 3.172 1.00 15.00 C ATOM 96 C GLU A 241 -1.299 4.553 1.745 1.00 15.00 C ATOM 97 O GLU A 241 -0.820 3.461 1.430 1.00 15.00 O ATOM 98 CB GLU A 241 -0.519 4.806 4.087 1.00 15.00 C ATOM 99 CG GLU A 241 -0.816 5.094 5.548 1.00 15.00 C ATOM 100 CD GLU A 241 0.450 5.293 6.356 1.00 15.00 C ATOM 101 OE1 GLU A 241 1.208 4.317 6.548 1.00 15.00 O ATOM 102 OE2 GLU A 241 0.700 6.426 6.806 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.308 2.978 3.979 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.224 5.797 3.248 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.038 3.831 4.013 1.00 15.00 H new ATOM 0 HB3 GLU A 241 0.197 5.543 3.723 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.438 5.986 5.623 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -1.390 4.269 5.971 1.00 15.00 H new ATOM 109 N GLN A 242 -1.460 5.537 0.884 1.00 15.00 N ATOM 110 CA GLN A 242 -0.962 5.436 -0.472 1.00 15.00 C ATOM 111 C GLN A 242 0.446 6.005 -0.516 1.00 15.00 C ATOM 112 O GLN A 242 0.638 7.220 -0.513 1.00 15.00 O ATOM 113 CB GLN A 242 -1.895 6.160 -1.455 1.00 15.00 C ATOM 114 CG GLN A 242 -1.478 6.043 -2.915 1.00 15.00 C ATOM 115 CD GLN A 242 -0.663 7.229 -3.403 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.838 8.354 -2.936 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.233 6.987 -4.346 1.00 15.00 N ATOM 0 H GLN A 242 -1.932 6.415 1.099 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.934 4.390 -0.778 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.903 5.759 -1.344 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.940 7.215 -1.185 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.896 5.131 -3.048 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -2.370 5.944 -3.534 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.349 6.041 -4.708 1.00 15.00 H new ATOM 0 HE22 GLN A 242 0.808 7.747 -4.711 1.00 15.00 H new ATOM 126 N ARG A 243 1.433 5.122 -0.493 1.00 15.00 N ATOM 127 CA ARG A 243 2.817 5.555 -0.452 1.00 15.00 C ATOM 128 C ARG A 243 3.489 5.428 -1.791 1.00 15.00 C ATOM 129 O ARG A 243 3.183 4.546 -2.598 1.00 15.00 O ATOM 130 CB ARG A 243 3.615 4.810 0.614 1.00 15.00 C ATOM 131 CG ARG A 243 3.409 5.390 1.992 1.00 15.00 C ATOM 132 CD ARG A 243 4.113 4.572 3.060 1.00 15.00 C ATOM 133 NE ARG A 243 3.593 4.859 4.399 1.00 15.00 N ATOM 134 CZ ARG A 243 4.137 5.734 5.244 1.00 15.00 C ATOM 135 NH1 ARG A 243 5.248 6.386 4.913 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 3.565 5.960 6.420 1.00 15.00 N ATOM 0 H ARG A 243 1.301 4.111 -0.502 1.00 15.00 H new ATOM 0 HA ARG A 243 2.798 6.612 -0.185 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.322 3.760 0.616 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.675 4.845 0.362 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.781 6.414 2.014 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.342 5.434 2.212 1.00 15.00 H new ATOM 0 HD2 ARG A 243 3.992 3.511 2.843 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.182 4.783 3.033 1.00 15.00 H new ATOM 0 HE ARG A 243 2.760 4.356 4.705 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.688 6.217 4.008 1.00 15.00 H new ATOM 0 HH12 ARG A 243 5.660 7.055 5.564 1.00 15.00 H new ATOM 0 HH21 ARG A 243 2.711 5.464 6.675 1.00 15.00 H new ATOM 0 HH22 ARG A 243 3.980 6.629 7.069 1.00 15.00 H new ATOM 150 N THR A 244 4.434 6.312 -1.981 1.00 15.00 N ATOM 151 CA THR A 244 5.174 6.420 -3.219 1.00 15.00 C ATOM 152 C THR A 244 6.666 6.430 -2.917 1.00 15.00 C ATOM 153 O THR A 244 7.237 7.456 -2.547 1.00 15.00 O ATOM 154 CB THR A 244 4.791 7.694 -3.995 1.00 15.00 C ATOM 155 OG1 THR A 244 3.363 7.821 -4.045 1.00 15.00 O ATOM 156 CG2 THR A 244 5.344 7.650 -5.411 1.00 15.00 C ATOM 0 H THR A 244 4.718 6.988 -1.272 1.00 15.00 H new ATOM 0 HA THR A 244 4.925 5.561 -3.842 1.00 15.00 H new ATOM 0 HB THR A 244 5.220 8.553 -3.478 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.124 8.633 -4.538 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.061 8.560 -5.940 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.431 7.574 -5.375 1.00 15.00 H new ATOM 0 HG23 THR A 244 4.937 6.785 -5.934 1.00 15.00 H new ATOM 164 N THR A 245 7.273 5.269 -3.046 1.00 15.00 N ATOM 165 CA THR A 245 8.669 5.084 -2.708 1.00 15.00 C ATOM 166 C THR A 245 9.553 5.235 -3.939 1.00 15.00 C ATOM 167 O THR A 245 9.115 4.981 -5.063 1.00 15.00 O ATOM 168 CB THR A 245 8.902 3.707 -2.053 1.00 15.00 C ATOM 169 OG1 THR A 245 10.304 3.476 -1.867 1.00 15.00 O ATOM 170 CG2 THR A 245 8.302 2.591 -2.895 1.00 15.00 C ATOM 0 H THR A 245 6.812 4.426 -3.388 1.00 15.00 H new ATOM 0 HA THR A 245 8.939 5.858 -1.990 1.00 15.00 H new ATOM 0 HB THR A 245 8.407 3.709 -1.082 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.433 2.709 -1.271 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.481 1.632 -2.409 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.229 2.750 -2.999 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.765 2.590 -3.882 1.00 15.00 H new ATOM 178 N VAL A 246 10.787 5.690 -3.711 1.00 15.00 N ATOM 179 CA VAL A 246 11.800 5.839 -4.763 1.00 15.00 C ATOM 180 C VAL A 246 11.961 4.573 -5.607 1.00 15.00 C ATOM 181 O VAL A 246 12.520 4.613 -6.704 1.00 15.00 O ATOM 182 CB VAL A 246 13.166 6.196 -4.160 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.175 7.631 -3.663 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.526 5.240 -3.029 1.00 15.00 C ATOM 0 H VAL A 246 11.115 5.968 -2.786 1.00 15.00 H new ATOM 0 HA VAL A 246 11.447 6.644 -5.408 1.00 15.00 H new ATOM 0 HB VAL A 246 13.917 6.097 -4.944 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.152 7.863 -3.240 1.00 15.00 H new ATOM 0 HG12 VAL A 246 12.970 8.305 -4.495 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.409 7.756 -2.898 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.498 5.513 -2.617 1.00 15.00 H new ATOM 0 HG22 VAL A 246 12.770 5.302 -2.246 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.568 4.221 -3.413 1.00 15.00 H new ATOM 194 N GLN A 247 11.491 3.456 -5.074 1.00 15.00 N ATOM 195 CA GLN A 247 11.436 2.192 -5.810 1.00 15.00 C ATOM 196 C GLN A 247 10.638 2.356 -7.109 1.00 15.00 C ATOM 197 O GLN A 247 10.759 1.555 -8.036 1.00 15.00 O ATOM 198 CB GLN A 247 10.798 1.102 -4.939 1.00 15.00 C ATOM 199 CG GLN A 247 11.364 1.041 -3.530 1.00 15.00 C ATOM 200 CD GLN A 247 12.865 0.841 -3.504 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.633 1.801 -3.558 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.292 -0.401 -3.378 1.00 15.00 N ATOM 0 H GLN A 247 11.136 3.395 -4.120 1.00 15.00 H new ATOM 0 HA GLN A 247 12.454 1.897 -6.063 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.723 1.276 -4.883 1.00 15.00 H new ATOM 0 HB3 GLN A 247 10.939 0.134 -5.421 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.117 1.963 -3.005 1.00 15.00 H new ATOM 0 HG3 GLN A 247 10.885 0.227 -2.987 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.622 -1.169 -3.337 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.292 -0.593 -3.322 1.00 15.00 H new ATOM 211 N GLY A 248 9.797 3.386 -7.147 1.00 15.00 N ATOM 212 CA GLY A 248 9.066 3.719 -8.351 1.00 15.00 C ATOM 213 C GLY A 248 7.733 3.015 -8.442 1.00 15.00 C ATOM 214 O GLY A 248 7.091 3.026 -9.494 1.00 15.00 O ATOM 0 H GLY A 248 9.610 4.000 -6.354 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.905 4.797 -8.386 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.669 3.458 -9.220 1.00 15.00 H new ATOM 218 N GLN A 249 7.307 2.409 -7.347 1.00 15.00 N ATOM 219 CA GLN A 249 6.076 1.635 -7.343 1.00 15.00 C ATOM 220 C GLN A 249 5.187 2.067 -6.185 1.00 15.00 C ATOM 221 O GLN A 249 5.677 2.339 -5.086 1.00 15.00 O ATOM 222 CB GLN A 249 6.393 0.139 -7.231 1.00 15.00 C ATOM 223 CG GLN A 249 7.690 -0.260 -7.912 1.00 15.00 C ATOM 224 CD GLN A 249 7.905 -1.756 -8.012 1.00 15.00 C ATOM 225 OE1 GLN A 249 7.480 -2.390 -8.977 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.582 -2.331 -7.028 1.00 15.00 N ATOM 0 H GLN A 249 7.793 2.437 -6.451 1.00 15.00 H new ATOM 0 HA GLN A 249 5.547 1.815 -8.279 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.447 -0.135 -6.177 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.573 -0.431 -7.667 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.706 0.166 -8.915 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.524 0.180 -7.366 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.918 -1.771 -6.245 1.00 15.00 H new ATOM 0 HE22 GLN A 249 8.767 -3.334 -7.054 1.00 15.00 H new ATOM 235 N VAL A 250 3.887 2.115 -6.429 1.00 15.00 N ATOM 236 CA VAL A 250 2.930 2.476 -5.395 1.00 15.00 C ATOM 237 C VAL A 250 2.470 1.232 -4.651 1.00 15.00 C ATOM 238 O VAL A 250 2.178 0.202 -5.261 1.00 15.00 O ATOM 239 CB VAL A 250 1.697 3.223 -5.964 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.090 4.604 -6.463 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.040 2.424 -7.082 1.00 15.00 C ATOM 0 H VAL A 250 3.470 1.908 -7.336 1.00 15.00 H new ATOM 0 HA VAL A 250 3.441 3.154 -4.711 1.00 15.00 H new ATOM 0 HB VAL A 250 0.974 3.337 -5.157 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.210 5.112 -6.858 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.504 5.184 -5.639 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.838 4.507 -7.250 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.178 2.972 -7.463 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.757 2.270 -7.889 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.715 1.458 -6.696 1.00 15.00 H new ATOM 251 N TYR A 251 2.427 1.324 -3.335 1.00 15.00 N ATOM 252 CA TYR A 251 2.037 0.194 -2.519 1.00 15.00 C ATOM 253 C TYR A 251 1.047 0.640 -1.450 1.00 15.00 C ATOM 254 O TYR A 251 1.227 1.683 -0.813 1.00 15.00 O ATOM 255 CB TYR A 251 3.289 -0.485 -1.927 1.00 15.00 C ATOM 256 CG TYR A 251 4.116 0.336 -0.950 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.718 0.503 0.372 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.322 0.911 -1.347 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.487 1.223 1.266 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.098 1.624 -0.456 1.00 15.00 C ATOM 261 CZ TYR A 251 5.677 1.779 0.847 1.00 15.00 C ATOM 262 OH TYR A 251 6.451 2.482 1.738 1.00 15.00 O ATOM 0 H TYR A 251 2.657 2.168 -2.811 1.00 15.00 H new ATOM 0 HA TYR A 251 1.530 -0.551 -3.132 1.00 15.00 H new ATOM 0 HB2 TYR A 251 2.974 -1.398 -1.422 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.936 -0.784 -2.752 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.791 0.062 0.706 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.654 0.797 -2.368 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.158 1.349 2.287 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.032 2.059 -0.779 1.00 15.00 H new ATOM 0 HH TYR A 251 7.257 2.808 1.285 1.00 15.00 H new ATOM 272 N PHE A 252 -0.011 -0.139 -1.277 1.00 15.00 N ATOM 273 CA PHE A 252 -1.074 0.225 -0.353 1.00 15.00 C ATOM 274 C PHE A 252 -0.805 -0.323 1.032 1.00 15.00 C ATOM 275 O PHE A 252 -0.594 -1.523 1.216 1.00 15.00 O ATOM 276 CB PHE A 252 -2.426 -0.247 -0.882 1.00 15.00 C ATOM 277 CG PHE A 252 -2.891 0.619 -2.024 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.942 1.997 -1.872 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.228 0.074 -3.256 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.315 2.812 -2.923 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.613 0.887 -4.305 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.651 2.258 -4.140 1.00 15.00 C ATOM 0 H PHE A 252 -0.156 -1.024 -1.763 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.101 1.312 -0.274 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.349 -1.282 -1.214 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.163 -0.223 -0.079 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.687 2.438 -0.920 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.189 -0.996 -3.396 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.343 3.884 -2.791 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.884 0.450 -5.255 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.943 2.894 -4.962 1.00 15.00 H new ATOM 292 N LEU A 253 -0.824 0.579 1.999 1.00 15.00 N ATOM 293 CA LEU A 253 -0.450 0.252 3.357 1.00 15.00 C ATOM 294 C LEU A 253 -1.631 0.352 4.309 1.00 15.00 C ATOM 295 O LEU A 253 -2.122 1.440 4.596 1.00 15.00 O ATOM 296 CB LEU A 253 0.640 1.205 3.825 1.00 15.00 C ATOM 297 CG LEU A 253 1.845 0.563 4.501 1.00 15.00 C ATOM 298 CD1 LEU A 253 2.725 1.648 5.071 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.436 -0.401 5.601 1.00 15.00 C ATOM 0 H LEU A 253 -1.098 1.552 1.862 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.092 -0.778 3.363 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.992 1.774 2.964 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.197 1.919 4.519 1.00 15.00 H new ATOM 0 HG LEU A 253 2.388 -0.013 3.752 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.590 1.197 5.557 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.061 2.304 4.268 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.161 2.228 5.801 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.327 -0.835 6.055 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.866 0.134 6.360 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.821 -1.195 5.178 1.00 15.00 H new ATOM 311 N HIS A 254 -2.092 -0.785 4.779 1.00 15.00 N ATOM 312 CA HIS A 254 -3.032 -0.822 5.885 1.00 15.00 C ATOM 313 C HIS A 254 -2.414 -1.612 7.007 1.00 15.00 C ATOM 314 O HIS A 254 -2.546 -2.839 7.044 1.00 15.00 O ATOM 315 CB HIS A 254 -4.372 -1.464 5.487 1.00 15.00 C ATOM 316 CG HIS A 254 -5.304 -1.716 6.643 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.447 -2.953 7.237 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.125 -0.883 7.325 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.302 -2.865 8.237 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.731 -1.622 8.309 1.00 15.00 N ATOM 0 H HIS A 254 -1.832 -1.701 4.414 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.241 0.203 6.192 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.872 -0.817 4.766 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.173 -2.410 4.982 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.275 0.169 7.130 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.600 -3.675 8.887 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.405 -1.266 8.987 1.00 15.00 H new ATOM 329 N THR A 255 -1.691 -0.973 7.903 1.00 15.00 N ATOM 330 CA THR A 255 -1.112 -1.770 8.944 1.00 15.00 C ATOM 331 C THR A 255 -1.996 -1.777 10.180 1.00 15.00 C ATOM 332 O THR A 255 -1.915 -0.938 11.078 1.00 15.00 O ATOM 333 CB THR A 255 0.336 -1.326 9.283 1.00 15.00 C ATOM 334 OG1 THR A 255 0.874 -2.135 10.337 1.00 15.00 O ATOM 335 CG2 THR A 255 0.409 0.144 9.675 1.00 15.00 C ATOM 0 H THR A 255 -1.502 0.029 7.930 1.00 15.00 H new ATOM 0 HA THR A 255 -1.048 -2.792 8.571 1.00 15.00 H new ATOM 0 HB THR A 255 0.931 -1.460 8.379 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.788 -1.844 10.539 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.441 0.409 9.903 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.051 0.759 8.849 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.213 0.318 10.553 1.00 15.00 H new ATOM 343 N GLN A 256 -2.904 -2.731 10.153 1.00 15.00 N ATOM 344 CA GLN A 256 -3.424 -3.386 11.325 1.00 15.00 C ATOM 345 C GLN A 256 -2.702 -4.712 11.421 1.00 15.00 C ATOM 346 O GLN A 256 -2.134 -5.090 12.440 1.00 15.00 O ATOM 347 CB GLN A 256 -4.931 -3.610 11.202 1.00 15.00 C ATOM 348 CG GLN A 256 -5.583 -4.126 12.472 1.00 15.00 C ATOM 349 CD GLN A 256 -7.029 -4.536 12.266 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.855 -4.408 13.167 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.342 -5.059 11.088 1.00 15.00 N ATOM 0 H GLN A 256 -3.310 -3.079 9.285 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.266 -2.777 12.215 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.406 -2.671 10.918 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.118 -4.319 10.396 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.017 -4.980 12.844 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.535 -3.353 13.239 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -6.629 -5.149 10.364 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.296 -5.371 10.906 1.00 15.00 H new ATOM 360 N THR A 257 -2.761 -5.404 10.280 1.00 15.00 N ATOM 361 CA THR A 257 -2.174 -6.709 10.090 1.00 15.00 C ATOM 362 C THR A 257 -0.826 -6.622 9.468 1.00 15.00 C ATOM 363 O THR A 257 -0.023 -7.552 9.388 1.00 15.00 O ATOM 364 CB THR A 257 -3.121 -7.637 9.310 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.460 -7.024 8.055 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.399 -7.881 10.097 1.00 15.00 C ATOM 0 H THR A 257 -3.234 -5.052 9.448 1.00 15.00 H new ATOM 0 HA THR A 257 -2.030 -7.155 11.074 1.00 15.00 H new ATOM 0 HB THR A 257 -2.617 -8.589 9.144 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.062 -7.614 7.555 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.056 -8.540 9.529 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.155 -8.347 11.052 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.903 -6.931 10.275 1.00 15.00 H new ATOM 374 N GLY A 258 -0.677 -5.469 9.033 1.00 15.00 N ATOM 375 CA GLY A 258 0.450 -5.048 8.232 1.00 15.00 C ATOM 376 C GLY A 258 0.257 -5.341 6.758 1.00 15.00 C ATOM 377 O GLY A 258 0.880 -6.253 6.216 1.00 15.00 O ATOM 0 H GLY A 258 -1.348 -4.721 9.210 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.609 -3.978 8.369 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.350 -5.552 8.584 1.00 15.00 H new ATOM 381 N VAL A 259 -0.607 -4.570 6.107 1.00 15.00 N ATOM 382 CA VAL A 259 -0.811 -4.724 4.666 1.00 15.00 C ATOM 383 C VAL A 259 0.132 -3.850 3.866 1.00 15.00 C ATOM 384 O VAL A 259 0.162 -2.635 4.012 1.00 15.00 O ATOM 385 CB VAL A 259 -2.260 -4.421 4.202 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.350 -4.395 2.682 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.198 -5.473 4.742 1.00 15.00 C ATOM 0 H VAL A 259 -1.171 -3.841 6.544 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.605 -5.778 4.477 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.544 -3.441 4.584 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.376 -4.181 2.382 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.689 -3.622 2.292 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.050 -5.364 2.283 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.215 -5.257 4.414 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.898 -6.453 4.371 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.160 -5.470 5.831 1.00 15.00 H new ATOM 397 N SER A 260 0.881 -4.516 3.023 1.00 15.00 N ATOM 398 CA SER A 260 1.710 -3.880 2.014 1.00 15.00 C ATOM 399 C SER A 260 1.494 -4.631 0.714 1.00 15.00 C ATOM 400 O SER A 260 2.006 -5.736 0.531 1.00 15.00 O ATOM 401 CB SER A 260 3.193 -3.874 2.414 1.00 15.00 C ATOM 402 OG SER A 260 3.545 -5.066 3.105 1.00 15.00 O ATOM 0 H SER A 260 0.937 -5.534 3.014 1.00 15.00 H new ATOM 0 HA SER A 260 1.426 -2.834 1.904 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.812 -3.771 1.523 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.398 -3.010 3.046 1.00 15.00 H new ATOM 0 HG SER A 260 4.494 -5.036 3.346 1.00 15.00 H new ATOM 408 N THR A 261 0.677 -4.066 -0.155 1.00 15.00 N ATOM 409 CA THR A 261 0.167 -4.816 -1.291 1.00 15.00 C ATOM 410 C THR A 261 0.204 -4.015 -2.588 1.00 15.00 C ATOM 411 O THR A 261 0.125 -2.781 -2.580 1.00 15.00 O ATOM 412 CB THR A 261 -1.272 -5.308 -1.024 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.727 -6.111 -2.116 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.224 -4.138 -0.819 1.00 15.00 C ATOM 0 H THR A 261 0.354 -3.100 -0.099 1.00 15.00 H new ATOM 0 HA THR A 261 0.828 -5.674 -1.414 1.00 15.00 H new ATOM 0 HB THR A 261 -1.259 -5.905 -0.112 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.641 -7.059 -1.883 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.230 -4.515 -0.633 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.895 -3.546 0.035 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.230 -3.513 -1.712 1.00 15.00 H new ATOM 422 N TRP A 262 0.358 -4.737 -3.694 1.00 15.00 N ATOM 423 CA TRP A 262 0.368 -4.144 -5.021 1.00 15.00 C ATOM 424 C TRP A 262 -1.045 -3.837 -5.506 1.00 15.00 C ATOM 425 O TRP A 262 -1.238 -3.009 -6.397 1.00 15.00 O ATOM 426 CB TRP A 262 1.033 -5.083 -6.028 1.00 15.00 C ATOM 427 CG TRP A 262 2.507 -5.261 -5.840 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.175 -6.405 -5.510 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.496 -4.256 -5.878 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.502 -6.208 -5.495 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.730 -4.905 -5.682 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.487 -2.879 -6.089 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.909 -4.247 -5.681 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.690 -2.224 -6.037 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.868 -2.934 -5.838 1.00 15.00 C ATOM 0 H TRP A 262 0.479 -5.750 -3.692 1.00 15.00 H new ATOM 0 HA TRP A 262 0.933 -3.214 -4.949 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.552 -6.059 -5.966 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.852 -4.702 -7.033 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.697 -7.348 -5.289 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.213 -6.928 -5.364 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.567 -2.348 -6.286 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.846 -4.770 -5.557 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.723 -1.151 -6.151 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.798 -2.386 -5.810 1.00 15.00 H new ATOM 446 N HIS A 263 -2.037 -4.531 -4.957 1.00 15.00 N ATOM 447 CA HIS A 263 -3.404 -4.349 -5.421 1.00 15.00 C ATOM 448 C HIS A 263 -4.116 -3.303 -4.582 1.00 15.00 C ATOM 449 O HIS A 263 -4.031 -3.309 -3.354 1.00 15.00 O ATOM 450 CB HIS A 263 -4.196 -5.677 -5.421 1.00 15.00 C ATOM 451 CG HIS A 263 -4.837 -6.051 -4.108 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.142 -5.728 -3.783 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.351 -6.730 -3.044 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.418 -6.189 -2.576 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.350 -6.804 -2.109 1.00 15.00 N ATOM 0 H HIS A 263 -1.923 -5.211 -4.205 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.355 -4.000 -6.452 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.975 -5.615 -6.181 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.523 -6.481 -5.719 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.789 -5.215 -4.381 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.356 -7.140 -2.949 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.360 -6.080 -2.059 1.00 15.00 H new ATOM 464 N ASP A 264 -4.812 -2.408 -5.259 1.00 15.00 N ATOM 465 CA ASP A 264 -5.698 -1.465 -4.597 1.00 15.00 C ATOM 466 C ASP A 264 -6.719 -2.255 -3.779 1.00 15.00 C ATOM 467 O ASP A 264 -7.379 -3.139 -4.302 1.00 15.00 O ATOM 468 CB ASP A 264 -6.381 -0.589 -5.659 1.00 15.00 C ATOM 469 CG ASP A 264 -7.227 0.528 -5.087 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.049 0.256 -4.198 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -7.075 1.687 -5.540 1.00 15.00 O ATOM 0 H ASP A 264 -4.781 -2.313 -6.274 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.145 -0.810 -3.924 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.617 -0.157 -6.305 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.009 -1.221 -6.287 1.00 15.00 H new ATOM 476 N PRO A 265 -6.827 -2.001 -2.471 1.00 15.00 N ATOM 477 CA PRO A 265 -7.723 -2.761 -1.596 1.00 15.00 C ATOM 478 C PRO A 265 -9.189 -2.511 -1.882 1.00 15.00 C ATOM 479 O PRO A 265 -10.060 -3.242 -1.406 1.00 15.00 O ATOM 480 CB PRO A 265 -7.359 -2.292 -0.189 1.00 15.00 C ATOM 481 CG PRO A 265 -6.068 -1.562 -0.339 1.00 15.00 C ATOM 482 CD PRO A 265 -6.079 -0.990 -1.722 1.00 15.00 C ATOM 0 HA PRO A 265 -7.595 -3.834 -1.742 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.132 -1.643 0.222 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.256 -3.136 0.493 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.975 -0.774 0.409 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.221 -2.234 -0.201 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.567 -0.016 -1.755 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.071 -0.856 -2.115 1.00 15.00 H new ATOM 490 N ARG A 266 -9.457 -1.464 -2.627 1.00 15.00 N ATOM 491 CA ARG A 266 -10.797 -1.181 -3.079 1.00 15.00 C ATOM 492 C ARG A 266 -11.124 -2.116 -4.231 1.00 15.00 C ATOM 493 O ARG A 266 -12.262 -2.202 -4.694 1.00 15.00 O ATOM 494 CB ARG A 266 -10.870 0.263 -3.531 1.00 15.00 C ATOM 495 CG ARG A 266 -12.278 0.804 -3.665 1.00 15.00 C ATOM 496 CD ARG A 266 -12.911 1.083 -2.316 1.00 15.00 C ATOM 497 NE ARG A 266 -14.285 1.560 -2.449 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.640 2.838 -2.347 1.00 15.00 C ATOM 499 NH1 ARG A 266 -13.715 3.767 -2.145 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.915 3.192 -2.457 1.00 15.00 N ATOM 0 H ARG A 266 -8.757 -0.789 -2.935 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.517 -1.334 -2.275 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.322 0.882 -2.821 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.364 0.357 -4.492 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.259 1.722 -4.253 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.891 0.087 -4.212 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.899 0.174 -1.714 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.318 1.827 -1.783 1.00 15.00 H new ATOM 0 HE ARG A 266 -15.016 0.872 -2.631 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -12.733 3.501 -2.068 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -13.985 4.747 -2.067 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.629 2.482 -2.621 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.180 4.174 -2.378 1.00 15.00 H new ATOM 514 N ILE A 267 -10.083 -2.799 -4.687 1.00 15.00 N ATOM 515 CA ILE A 267 -10.204 -3.791 -5.753 1.00 15.00 C ATOM 516 C ILE A 267 -9.503 -5.102 -5.362 1.00 15.00 C ATOM 517 O ILE A 267 -8.351 -5.343 -5.787 1.00 15.00 O ATOM 518 CB ILE A 267 -9.672 -3.272 -7.123 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.209 -2.797 -7.046 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.561 -2.149 -7.639 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.658 -2.315 -8.371 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.108 -5.887 -4.607 1.00 15.00 O ATOM 0 H ILE A 267 -9.134 -2.684 -4.332 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.269 -3.984 -5.880 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.701 -4.111 -7.818 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.136 -1.990 -6.316 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.589 -3.615 -6.680 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -10.180 -1.794 -8.597 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.578 -2.520 -7.768 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.563 -1.328 -6.922 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.624 -1.996 -8.241 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.699 -3.126 -9.099 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -8.254 -1.476 -8.729 1.00 15.00 H new ATOM 535 N SER B 210 9.733 3.980 13.085 1.00 15.00 N ATOM 536 CA SER B 210 8.662 3.106 12.567 1.00 15.00 C ATOM 537 C SER B 210 8.501 3.346 11.073 1.00 15.00 C ATOM 538 O SER B 210 8.074 4.422 10.646 1.00 15.00 O ATOM 539 CB SER B 210 7.347 3.386 13.302 1.00 15.00 C ATOM 540 OG SER B 210 6.378 2.381 13.043 1.00 15.00 O ATOM 0 HA SER B 210 8.929 2.063 12.736 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.534 3.444 14.374 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.957 4.356 12.994 1.00 15.00 H new ATOM 0 HG SER B 210 5.553 2.590 13.528 1.00 15.00 H new ATOM 548 N ASP B 211 8.874 2.356 10.282 1.00 15.00 N ATOM 549 CA ASP B 211 8.892 2.501 8.838 1.00 15.00 C ATOM 550 C ASP B 211 8.177 1.337 8.172 1.00 15.00 C ATOM 551 O ASP B 211 8.169 0.219 8.693 1.00 15.00 O ATOM 552 CB ASP B 211 10.338 2.591 8.338 1.00 15.00 C ATOM 553 CG ASP B 211 11.001 3.896 8.729 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.507 3.997 9.866 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.006 4.836 7.900 1.00 15.00 O1- ATOM 0 H ASP B 211 9.170 1.439 10.617 1.00 15.00 H new ATOM 0 HA ASP B 211 8.368 3.420 8.576 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.913 1.758 8.743 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.352 2.490 7.253 1.00 15.00 H new ATOM 560 N PRO B 212 7.578 1.578 7.003 1.00 15.00 N ATOM 561 CA PRO B 212 6.863 0.560 6.253 1.00 15.00 C ATOM 562 C PRO B 212 7.769 -0.180 5.282 1.00 15.00 C ATOM 563 O PRO B 212 8.739 0.375 4.765 1.00 15.00 O ATOM 564 CB PRO B 212 5.823 1.369 5.469 1.00 15.00 C ATOM 565 CG PRO B 212 6.146 2.815 5.684 1.00 15.00 C ATOM 566 CD PRO B 212 7.507 2.871 6.324 1.00 15.00 C ATOM 0 HA PRO B 212 6.441 -0.204 6.906 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.858 1.119 4.409 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.815 1.142 5.817 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.142 3.356 4.738 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.399 3.286 6.323 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.300 2.988 5.586 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.596 3.704 7.022 1.00 15.00 H new ATOM 574 N GLY B 213 7.417 -1.424 5.007 1.00 15.00 N ATOM 575 CA GLY B 213 8.202 -2.228 4.103 1.00 15.00 C ATOM 576 C GLY B 213 7.733 -2.080 2.676 1.00 15.00 C ATOM 577 O GLY B 213 6.607 -1.641 2.425 1.00 15.00 O ATOM 0 H GLY B 213 6.598 -1.891 5.396 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.250 -1.938 4.174 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.141 -3.275 4.400 1.00 15.00 H new