USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 124:sc= -0.64 USER MOD Set 1.2: A 263 HIS : no HD1:sc= -1.25 K(o=-1.9,f=-2.4!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.7!) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 166:sc= -2! USER MOD Single : A 247 GLN : amide:sc= 0.763 K(o=0.76,f=-0.47) USER MOD Single : A 249 GLN : amide:sc= -4.03! C(o=-4!,f=-2.8!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.28 USER MOD Single : A 254 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.26) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -1.01 K(o=-1,f=-0.01) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 48:sc= 0.0968 USER MOD Single : B 210 SER OG : rot 36:sc= 0.275 USER MOD Single : B 217 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -10.079 6.173 -4.642 1.00 15.00 N ATOM 2 CA GLU A 235 -10.861 6.286 -3.388 1.00 15.00 C ATOM 3 C GLU A 235 -10.939 4.935 -2.697 1.00 15.00 C ATOM 4 O GLU A 235 -11.594 4.017 -3.186 1.00 15.00 O ATOM 5 CB GLU A 235 -12.276 6.812 -3.664 1.00 15.00 C ATOM 6 CG GLU A 235 -12.335 8.297 -4.006 1.00 15.00 C ATOM 7 CD GLU A 235 -11.588 8.643 -5.275 1.00 15.00 C ATOM 8 OE1 GLU A 235 -10.354 8.812 -5.211 1.00 15.00 O ATOM 9 OE2 GLU A 235 -12.225 8.727 -6.339 1.00 15.00 O1- ATOM 0 HA GLU A 235 -10.352 6.996 -2.736 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.709 6.244 -4.487 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.898 6.627 -2.788 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -13.377 8.599 -4.111 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -11.919 8.871 -3.178 1.00 15.00 H new ATOM 18 N LEU A 236 -10.260 4.810 -1.568 1.00 15.00 N ATOM 19 CA LEU A 236 -10.204 3.542 -0.850 1.00 15.00 C ATOM 20 C LEU A 236 -11.053 3.609 0.410 1.00 15.00 C ATOM 21 O LEU A 236 -11.561 4.672 0.767 1.00 15.00 O ATOM 22 CB LEU A 236 -8.757 3.187 -0.450 1.00 15.00 C ATOM 23 CG LEU A 236 -7.703 3.231 -1.560 1.00 15.00 C ATOM 24 CD1 LEU A 236 -8.248 2.622 -2.835 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.209 4.650 -1.797 1.00 15.00 C ATOM 0 H LEU A 236 -9.740 5.569 -1.128 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.588 2.773 -1.520 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.446 3.870 0.341 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.759 2.184 -0.023 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.848 2.637 -1.237 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -7.485 2.662 -3.612 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -8.526 1.584 -2.653 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -9.126 3.181 -3.159 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.462 4.647 -2.591 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.047 5.283 -2.089 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.764 5.038 -0.881 1.00 15.00 H new ATOM 37 N PRO A 237 -11.230 2.469 1.090 1.00 15.00 N ATOM 38 CA PRO A 237 -11.751 2.446 2.455 1.00 15.00 C ATOM 39 C PRO A 237 -10.742 3.024 3.427 1.00 15.00 C ATOM 40 O PRO A 237 -9.584 3.272 3.085 1.00 15.00 O ATOM 41 CB PRO A 237 -11.986 0.953 2.739 1.00 15.00 C ATOM 42 CG PRO A 237 -11.938 0.282 1.406 1.00 15.00 C ATOM 43 CD PRO A 237 -11.013 1.109 0.563 1.00 15.00 C ATOM 0 HA PRO A 237 -12.656 3.043 2.568 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.222 0.555 3.407 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.948 0.792 3.225 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.574 -0.741 1.497 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.931 0.229 0.959 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.975 0.793 0.670 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.259 1.040 -0.497 1.00 15.00 H new ATOM 51 N GLU A 238 -11.200 3.228 4.630 1.00 15.00 N ATOM 52 CA GLU A 238 -10.390 3.853 5.666 1.00 15.00 C ATOM 53 C GLU A 238 -9.262 2.922 6.111 1.00 15.00 C ATOM 54 O GLU A 238 -9.452 1.715 6.253 1.00 15.00 O ATOM 55 CB GLU A 238 -11.276 4.209 6.865 1.00 15.00 C ATOM 56 CG GLU A 238 -10.552 4.969 7.964 1.00 15.00 C ATOM 57 CD GLU A 238 -9.922 6.247 7.455 1.00 15.00 C ATOM 58 OE1 GLU A 238 -10.636 7.265 7.351 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -8.716 6.232 7.143 1.00 15.00 O ATOM 0 H GLU A 238 -12.140 2.971 4.931 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.944 4.760 5.259 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.118 4.808 6.517 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.689 3.291 7.284 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.254 5.205 8.763 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -9.780 4.332 8.396 1.00 15.00 H new ATOM 66 N GLY A 239 -8.092 3.506 6.340 1.00 15.00 N ATOM 67 CA GLY A 239 -6.946 2.741 6.786 1.00 15.00 C ATOM 68 C GLY A 239 -5.965 2.403 5.679 1.00 15.00 C ATOM 69 O GLY A 239 -5.073 1.584 5.884 1.00 15.00 O ATOM 0 H GLY A 239 -7.917 4.504 6.223 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.425 3.304 7.561 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.295 1.816 7.244 1.00 15.00 H new ATOM 73 N TYR A 240 -6.107 3.022 4.511 1.00 15.00 N ATOM 74 CA TYR A 240 -5.167 2.767 3.421 1.00 15.00 C ATOM 75 C TYR A 240 -4.313 3.987 3.123 1.00 15.00 C ATOM 76 O TYR A 240 -4.792 4.989 2.584 1.00 15.00 O ATOM 77 CB TYR A 240 -5.881 2.291 2.150 1.00 15.00 C ATOM 78 CG TYR A 240 -6.587 0.978 2.350 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.856 -0.160 2.624 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.969 0.877 2.310 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.476 -1.371 2.847 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.600 -0.327 2.543 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.849 -1.453 2.812 1.00 15.00 C ATOM 84 OH TYR A 240 -8.464 -2.661 3.059 1.00 15.00 O ATOM 0 H TYR A 240 -6.847 3.690 4.295 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.510 1.965 3.757 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.603 3.045 1.837 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -5.155 2.191 1.343 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.778 -0.101 2.664 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.560 1.754 2.093 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.886 -2.253 3.049 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.678 -0.388 2.515 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.436 -2.552 2.998 1.00 15.00 H new ATOM 94 N GLU A 241 -3.053 3.891 3.499 1.00 15.00 N ATOM 95 CA GLU A 241 -2.070 4.920 3.226 1.00 15.00 C ATOM 96 C GLU A 241 -1.395 4.648 1.889 1.00 15.00 C ATOM 97 O GLU A 241 -0.801 3.587 1.688 1.00 15.00 O ATOM 98 CB GLU A 241 -1.018 4.946 4.341 1.00 15.00 C ATOM 99 CG GLU A 241 -1.566 5.373 5.690 1.00 15.00 C ATOM 100 CD GLU A 241 -1.900 6.849 5.735 1.00 15.00 C ATOM 101 OE1 GLU A 241 -1.003 7.646 6.081 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 -3.049 7.218 5.418 1.00 15.00 O ATOM 0 H GLU A 241 -2.680 3.089 4.007 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.571 5.887 3.185 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.578 3.953 4.436 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.215 5.625 4.054 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -2.461 4.793 5.916 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -0.835 5.145 6.465 1.00 15.00 H new ATOM 109 N GLN A 242 -1.501 5.588 0.970 1.00 15.00 N ATOM 110 CA GLN A 242 -0.846 5.449 -0.316 1.00 15.00 C ATOM 111 C GLN A 242 0.549 6.047 -0.231 1.00 15.00 C ATOM 112 O GLN A 242 0.706 7.259 -0.079 1.00 15.00 O ATOM 113 CB GLN A 242 -1.679 6.120 -1.419 1.00 15.00 C ATOM 114 CG GLN A 242 -1.133 5.926 -2.831 1.00 15.00 C ATOM 115 CD GLN A 242 -0.114 6.979 -3.233 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.181 8.128 -2.799 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.838 6.595 -4.068 1.00 15.00 N ATOM 0 H GLN A 242 -2.031 6.451 1.088 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.759 4.393 -0.573 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.695 5.728 -1.379 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.741 7.188 -1.211 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.674 4.940 -2.903 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.962 5.944 -3.539 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.862 5.633 -4.407 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.548 7.261 -4.373 1.00 15.00 H new ATOM 126 N ARG A 243 1.556 5.189 -0.271 1.00 15.00 N ATOM 127 CA ARG A 243 2.936 5.639 -0.195 1.00 15.00 C ATOM 128 C ARG A 243 3.707 5.432 -1.474 1.00 15.00 C ATOM 129 O ARG A 243 3.476 4.496 -2.245 1.00 15.00 O ATOM 130 CB ARG A 243 3.705 5.011 0.962 1.00 15.00 C ATOM 131 CG ARG A 243 3.624 5.824 2.239 1.00 15.00 C ATOM 132 CD ARG A 243 4.668 5.376 3.253 1.00 15.00 C ATOM 133 NE ARG A 243 5.975 5.159 2.627 1.00 15.00 N ATOM 134 CZ ARG A 243 7.120 5.687 3.063 1.00 15.00 C ATOM 135 NH1 ARG A 243 7.134 6.489 4.118 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.254 5.407 2.431 1.00 15.00 N ATOM 0 H ARG A 243 1.444 4.179 -0.356 1.00 15.00 H new ATOM 0 HA ARG A 243 2.853 6.711 -0.018 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.315 4.011 1.150 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.751 4.897 0.676 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.768 6.880 2.009 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.629 5.725 2.672 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.760 6.128 4.036 1.00 15.00 H new ATOM 0 HD3 ARG A 243 4.337 4.455 3.733 1.00 15.00 H new ATOM 0 HE ARG A 243 6.012 4.563 1.800 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.264 6.707 4.604 1.00 15.00 H new ATOM 0 HH12 ARG A 243 8.014 6.888 4.444 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.246 4.792 1.618 1.00 15.00 H new ATOM 0 HH22 ARG A 243 9.133 5.807 2.759 1.00 15.00 H new ATOM 150 N THR A 244 4.649 6.324 -1.642 1.00 15.00 N ATOM 151 CA THR A 244 5.566 6.329 -2.758 1.00 15.00 C ATOM 152 C THR A 244 6.975 6.111 -2.231 1.00 15.00 C ATOM 153 O THR A 244 7.281 6.479 -1.095 1.00 15.00 O ATOM 154 CB THR A 244 5.496 7.660 -3.533 1.00 15.00 C ATOM 155 OG1 THR A 244 5.583 8.764 -2.619 1.00 15.00 O ATOM 156 CG2 THR A 244 4.207 7.755 -4.335 1.00 15.00 C ATOM 0 H THR A 244 4.806 7.091 -0.988 1.00 15.00 H new ATOM 0 HA THR A 244 5.291 5.530 -3.446 1.00 15.00 H new ATOM 0 HB THR A 244 6.336 7.696 -4.226 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.540 9.606 -3.118 1.00 15.00 H new ATOM 0 HG21 THR A 244 4.182 8.703 -4.873 1.00 15.00 H new ATOM 0 HG22 THR A 244 4.161 6.932 -5.048 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.353 7.698 -3.660 1.00 15.00 H new ATOM 164 N THR A 245 7.820 5.501 -3.032 1.00 15.00 N ATOM 165 CA THR A 245 9.153 5.151 -2.596 1.00 15.00 C ATOM 166 C THR A 245 10.146 5.298 -3.735 1.00 15.00 C ATOM 167 O THR A 245 9.776 5.172 -4.905 1.00 15.00 O ATOM 168 CB THR A 245 9.195 3.718 -2.030 1.00 15.00 C ATOM 169 OG1 THR A 245 10.532 3.366 -1.662 1.00 15.00 O ATOM 170 CG2 THR A 245 8.652 2.713 -3.038 1.00 15.00 C ATOM 0 H THR A 245 7.606 5.236 -3.993 1.00 15.00 H new ATOM 0 HA THR A 245 9.434 5.839 -1.799 1.00 15.00 H new ATOM 0 HB THR A 245 8.562 3.690 -1.143 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.517 2.560 -1.105 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.694 1.711 -2.611 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.619 2.962 -3.279 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.255 2.746 -3.946 1.00 15.00 H new ATOM 178 N VAL A 246 11.394 5.607 -3.382 1.00 15.00 N ATOM 179 CA VAL A 246 12.485 5.750 -4.349 1.00 15.00 C ATOM 180 C VAL A 246 12.598 4.517 -5.261 1.00 15.00 C ATOM 181 O VAL A 246 13.190 4.584 -6.339 1.00 15.00 O ATOM 182 CB VAL A 246 13.836 5.971 -3.624 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.941 6.317 -4.613 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.709 7.052 -2.562 1.00 15.00 C ATOM 0 H VAL A 246 11.678 5.766 -2.415 1.00 15.00 H new ATOM 0 HA VAL A 246 12.254 6.620 -4.964 1.00 15.00 H new ATOM 0 HB VAL A 246 14.106 5.037 -3.132 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.877 6.466 -4.075 1.00 15.00 H new ATOM 0 HG12 VAL A 246 15.059 5.502 -5.327 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.679 7.231 -5.146 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.670 7.190 -2.066 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.405 7.988 -3.030 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.961 6.754 -1.827 1.00 15.00 H new ATOM 194 N GLN A 247 12.007 3.402 -4.830 1.00 15.00 N ATOM 195 CA GLN A 247 11.991 2.174 -5.625 1.00 15.00 C ATOM 196 C GLN A 247 11.207 2.385 -6.926 1.00 15.00 C ATOM 197 O GLN A 247 11.302 1.588 -7.856 1.00 15.00 O ATOM 198 CB GLN A 247 11.363 1.022 -4.830 1.00 15.00 C ATOM 199 CG GLN A 247 11.746 0.998 -3.357 1.00 15.00 C ATOM 200 CD GLN A 247 13.237 0.866 -3.128 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.955 1.863 -3.071 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.704 -0.359 -2.957 1.00 15.00 N ATOM 0 H GLN A 247 11.531 3.324 -3.931 1.00 15.00 H new ATOM 0 HA GLN A 247 13.022 1.918 -5.867 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.278 1.089 -4.911 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.659 0.077 -5.286 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.392 1.913 -2.882 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.236 0.167 -2.869 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.072 -1.158 -3.013 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.696 -0.505 -2.769 1.00 15.00 H new ATOM 211 N GLY A 248 10.404 3.450 -6.961 1.00 15.00 N ATOM 212 CA GLY A 248 9.653 3.791 -8.158 1.00 15.00 C ATOM 213 C GLY A 248 8.350 3.025 -8.265 1.00 15.00 C ATOM 214 O GLY A 248 7.950 2.621 -9.357 1.00 15.00 O ATOM 0 H GLY A 248 10.261 4.085 -6.176 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.443 4.861 -8.158 1.00 15.00 H new ATOM 0 HA3 GLY A 248 10.264 3.586 -9.037 1.00 15.00 H new ATOM 218 N GLN A 249 7.680 2.831 -7.134 1.00 15.00 N ATOM 219 CA GLN A 249 6.467 2.020 -7.094 1.00 15.00 C ATOM 220 C GLN A 249 5.485 2.545 -6.063 1.00 15.00 C ATOM 221 O GLN A 249 5.879 3.070 -5.019 1.00 15.00 O ATOM 222 CB GLN A 249 6.814 0.563 -6.773 1.00 15.00 C ATOM 223 CG GLN A 249 8.265 0.368 -6.402 1.00 15.00 C ATOM 224 CD GLN A 249 8.675 -1.078 -6.247 1.00 15.00 C ATOM 225 OE1 GLN A 249 9.047 -1.737 -7.216 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.640 -1.574 -5.021 1.00 15.00 N ATOM 0 H GLN A 249 7.955 3.223 -6.234 1.00 15.00 H new ATOM 0 HA GLN A 249 5.999 2.077 -8.077 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.186 0.218 -5.952 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.579 -0.059 -7.637 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.889 0.831 -7.166 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.463 0.893 -5.467 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.324 -0.993 -4.244 1.00 15.00 H new ATOM 0 HE22 GLN A 249 8.929 -2.538 -4.852 1.00 15.00 H new ATOM 235 N VAL A 250 4.211 2.378 -6.367 1.00 15.00 N ATOM 236 CA VAL A 250 3.138 2.700 -5.435 1.00 15.00 C ATOM 237 C VAL A 250 2.752 1.451 -4.661 1.00 15.00 C ATOM 238 O VAL A 250 2.694 0.361 -5.230 1.00 15.00 O ATOM 239 CB VAL A 250 1.886 3.264 -6.156 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.158 4.665 -6.679 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.463 2.352 -7.299 1.00 15.00 C ATOM 0 H VAL A 250 3.888 2.016 -7.264 1.00 15.00 H new ATOM 0 HA VAL A 250 3.507 3.472 -4.759 1.00 15.00 H new ATOM 0 HB VAL A 250 1.072 3.311 -5.432 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.269 5.045 -7.182 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.412 5.321 -5.847 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.989 4.635 -7.384 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.583 2.768 -7.790 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.276 2.271 -8.020 1.00 15.00 H new ATOM 0 HG23 VAL A 250 1.226 1.363 -6.907 1.00 15.00 H new ATOM 251 N TYR A 251 2.519 1.593 -3.370 1.00 15.00 N ATOM 252 CA TYR A 251 2.147 0.450 -2.556 1.00 15.00 C ATOM 253 C TYR A 251 1.169 0.872 -1.459 1.00 15.00 C ATOM 254 O TYR A 251 1.329 1.926 -0.835 1.00 15.00 O ATOM 255 CB TYR A 251 3.421 -0.242 -2.018 1.00 15.00 C ATOM 256 CG TYR A 251 4.299 0.567 -1.077 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.869 0.940 0.194 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.588 0.920 -1.455 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.694 1.644 1.048 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.418 1.614 -0.603 1.00 15.00 C ATOM 261 CZ TYR A 251 5.968 1.977 0.645 1.00 15.00 C ATOM 262 OH TYR A 251 6.800 2.666 1.499 1.00 15.00 O ATOM 0 H TYR A 251 2.580 2.478 -2.866 1.00 15.00 H new ATOM 0 HA TYR A 251 1.619 -0.288 -3.160 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.119 -1.153 -1.501 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.028 -0.546 -2.871 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.873 0.674 0.517 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.946 0.645 -2.436 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.342 1.932 2.027 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.419 1.873 -0.914 1.00 15.00 H new ATOM 0 HH TYR A 251 7.663 2.821 1.061 1.00 15.00 H new ATOM 272 N PHE A 252 0.134 0.061 -1.255 1.00 15.00 N ATOM 273 CA PHE A 252 -0.934 0.402 -0.321 1.00 15.00 C ATOM 274 C PHE A 252 -0.656 -0.128 1.071 1.00 15.00 C ATOM 275 O PHE A 252 -0.490 -1.333 1.268 1.00 15.00 O ATOM 276 CB PHE A 252 -2.284 -0.112 -0.833 1.00 15.00 C ATOM 277 CG PHE A 252 -2.777 0.704 -1.996 1.00 15.00 C ATOM 278 CD1 PHE A 252 -3.027 2.060 -1.834 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.923 0.147 -3.263 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.420 2.839 -2.904 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.302 0.930 -4.338 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.550 2.276 -4.157 1.00 15.00 C ATOM 0 H PHE A 252 0.013 -0.837 -1.724 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.975 1.489 -0.255 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.187 -1.155 -1.134 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.017 -0.079 -0.027 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.913 2.511 -0.859 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.738 -0.907 -3.408 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.626 3.889 -2.760 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.404 0.489 -5.319 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.846 2.888 -4.996 1.00 15.00 H new ATOM 292 N LEU A 253 -0.610 0.791 2.028 1.00 15.00 N ATOM 293 CA LEU A 253 -0.371 0.445 3.416 1.00 15.00 C ATOM 294 C LEU A 253 -1.638 0.505 4.247 1.00 15.00 C ATOM 295 O LEU A 253 -2.189 1.573 4.499 1.00 15.00 O ATOM 296 CB LEU A 253 0.667 1.371 4.040 1.00 15.00 C ATOM 297 CG LEU A 253 2.116 0.930 3.890 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.032 2.024 4.395 1.00 15.00 C ATOM 299 CD2 LEU A 253 2.367 -0.363 4.650 1.00 15.00 C ATOM 0 H LEU A 253 -0.737 1.789 1.861 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.001 -0.580 3.416 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.559 2.360 3.595 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.445 1.473 5.102 1.00 15.00 H new ATOM 0 HG LEU A 253 2.322 0.746 2.835 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.070 1.708 4.288 1.00 15.00 H new ATOM 0 HD12 LEU A 253 2.867 2.933 3.816 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.819 2.220 5.446 1.00 15.00 H new ATOM 0 HD21 LEU A 253 3.409 -0.660 4.529 1.00 15.00 H new ATOM 0 HD22 LEU A 253 2.154 -0.210 5.708 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.719 -1.147 4.258 1.00 15.00 H new ATOM 311 N HIS A 254 -2.098 -0.652 4.658 1.00 15.00 N ATOM 312 CA HIS A 254 -3.112 -0.744 5.693 1.00 15.00 C ATOM 313 C HIS A 254 -2.501 -1.449 6.869 1.00 15.00 C ATOM 314 O HIS A 254 -2.522 -2.684 6.935 1.00 15.00 O ATOM 315 CB HIS A 254 -4.367 -1.508 5.237 1.00 15.00 C ATOM 316 CG HIS A 254 -5.311 -1.874 6.351 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.462 -3.166 6.805 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.126 -1.113 7.118 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.320 -3.186 7.807 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.739 -1.953 8.014 1.00 15.00 N ATOM 0 H HIS A 254 -1.787 -1.552 4.292 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.436 0.266 5.946 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.903 -0.900 4.508 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.057 -2.419 4.726 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.268 -0.045 7.040 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.626 -4.061 8.362 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.411 -1.669 8.726 1.00 15.00 H new ATOM 329 N THR A 255 -1.902 -0.722 7.782 1.00 15.00 N ATOM 330 CA THR A 255 -1.315 -1.421 8.883 1.00 15.00 C ATOM 331 C THR A 255 -2.319 -1.552 10.012 1.00 15.00 C ATOM 332 O THR A 255 -2.452 -0.692 10.880 1.00 15.00 O ATOM 333 CB THR A 255 -0.036 -0.717 9.381 1.00 15.00 C ATOM 334 OG1 THR A 255 0.865 -0.532 8.283 1.00 15.00 O ATOM 335 CG2 THR A 255 0.652 -1.532 10.465 1.00 15.00 C ATOM 0 H THR A 255 -1.813 0.294 7.785 1.00 15.00 H new ATOM 0 HA THR A 255 -1.033 -2.416 8.538 1.00 15.00 H new ATOM 0 HB THR A 255 -0.318 0.248 9.802 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.677 -0.083 8.598 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.550 -1.011 10.797 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.026 -1.660 11.309 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.925 -2.509 10.067 1.00 15.00 H new ATOM 343 N GLN A 256 -3.078 -2.627 9.918 1.00 15.00 N ATOM 344 CA GLN A 256 -3.623 -3.325 11.055 1.00 15.00 C ATOM 345 C GLN A 256 -2.736 -4.533 11.258 1.00 15.00 C ATOM 346 O GLN A 256 -2.223 -4.808 12.339 1.00 15.00 O ATOM 347 CB GLN A 256 -5.071 -3.756 10.799 1.00 15.00 C ATOM 348 CG GLN A 256 -5.797 -4.241 12.039 1.00 15.00 C ATOM 349 CD GLN A 256 -7.200 -4.748 11.747 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.100 -4.611 12.572 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.390 -5.359 10.586 1.00 15.00 N ATOM 0 H GLN A 256 -3.336 -3.045 9.024 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.644 -2.685 11.937 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.620 -2.916 10.374 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.077 -4.550 10.053 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.218 -5.039 12.503 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.854 -3.427 12.761 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -6.617 -5.453 9.927 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.309 -5.735 10.352 1.00 15.00 H new ATOM 360 N THR A 257 -2.577 -5.247 10.143 1.00 15.00 N ATOM 361 CA THR A 257 -1.787 -6.455 10.068 1.00 15.00 C ATOM 362 C THR A 257 -0.439 -6.205 9.497 1.00 15.00 C ATOM 363 O THR A 257 0.508 -6.990 9.562 1.00 15.00 O ATOM 364 CB THR A 257 -2.537 -7.564 9.314 1.00 15.00 C ATOM 365 OG1 THR A 257 -2.778 -7.149 7.961 1.00 15.00 O ATOM 366 CG2 THR A 257 -3.872 -7.851 9.982 1.00 15.00 C ATOM 0 H THR A 257 -3.006 -4.988 9.255 1.00 15.00 H new ATOM 0 HA THR A 257 -1.630 -6.805 11.088 1.00 15.00 H new ATOM 0 HB THR A 257 -1.925 -8.466 9.328 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.255 -7.858 7.481 1.00 15.00 H new ATOM 0 HG21 THR A 257 -4.390 -8.639 9.435 1.00 15.00 H new ATOM 0 HG22 THR A 257 -3.703 -8.173 11.010 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.481 -6.947 9.981 1.00 15.00 H new ATOM 374 N GLY A 258 -0.436 -5.082 8.978 1.00 15.00 N ATOM 375 CA GLY A 258 0.633 -4.585 8.136 1.00 15.00 C ATOM 376 C GLY A 258 0.458 -4.995 6.685 1.00 15.00 C ATOM 377 O GLY A 258 1.131 -5.905 6.201 1.00 15.00 O ATOM 0 H GLY A 258 -1.195 -4.413 9.105 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.670 -3.498 8.203 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.588 -4.960 8.505 1.00 15.00 H new ATOM 381 N VAL A 259 -0.464 -4.335 5.998 1.00 15.00 N ATOM 382 CA VAL A 259 -0.658 -4.574 4.568 1.00 15.00 C ATOM 383 C VAL A 259 0.209 -3.663 3.721 1.00 15.00 C ATOM 384 O VAL A 259 0.158 -2.444 3.837 1.00 15.00 O ATOM 385 CB VAL A 259 -2.137 -4.398 4.122 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.262 -4.347 2.601 1.00 15.00 C ATOM 387 CG2 VAL A 259 -2.968 -5.540 4.665 1.00 15.00 C ATOM 0 H VAL A 259 -1.087 -3.635 6.400 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.366 -5.612 4.412 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.501 -3.451 4.520 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.309 -4.223 2.326 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.684 -3.507 2.216 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.882 -5.275 2.173 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.005 -5.416 4.352 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.583 -6.485 4.281 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -2.915 -5.543 5.754 1.00 15.00 H new ATOM 397 N SER A 260 1.004 -4.299 2.885 1.00 15.00 N ATOM 398 CA SER A 260 1.765 -3.631 1.838 1.00 15.00 C ATOM 399 C SER A 260 1.613 -4.431 0.556 1.00 15.00 C ATOM 400 O SER A 260 2.252 -5.470 0.383 1.00 15.00 O ATOM 401 CB SER A 260 3.247 -3.503 2.210 1.00 15.00 C ATOM 402 OG SER A 260 3.727 -4.699 2.803 1.00 15.00 O ATOM 0 H SER A 260 1.145 -5.309 2.911 1.00 15.00 H new ATOM 0 HA SER A 260 1.379 -2.620 1.706 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.831 -3.275 1.318 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.382 -2.671 2.901 1.00 15.00 H new ATOM 0 HG SER A 260 3.447 -5.467 2.263 1.00 15.00 H new ATOM 408 N THR A 261 0.731 -3.981 -0.314 1.00 15.00 N ATOM 409 CA THR A 261 0.369 -4.763 -1.480 1.00 15.00 C ATOM 410 C THR A 261 0.313 -3.909 -2.740 1.00 15.00 C ATOM 411 O THR A 261 0.055 -2.703 -2.682 1.00 15.00 O ATOM 412 CB THR A 261 -0.985 -5.477 -1.274 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.285 -6.296 -2.410 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.112 -4.475 -1.047 1.00 15.00 C ATOM 0 H THR A 261 0.254 -3.083 -0.237 1.00 15.00 H new ATOM 0 HA THR A 261 1.149 -5.513 -1.610 1.00 15.00 H new ATOM 0 HB THR A 261 -0.903 -6.103 -0.385 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.434 -7.219 -2.117 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.051 -5.010 -0.906 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.896 -3.880 -0.160 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.195 -3.819 -1.913 1.00 15.00 H new ATOM 422 N TRP A 262 0.599 -4.549 -3.869 1.00 15.00 N ATOM 423 CA TRP A 262 0.523 -3.906 -5.171 1.00 15.00 C ATOM 424 C TRP A 262 -0.916 -3.585 -5.547 1.00 15.00 C ATOM 425 O TRP A 262 -1.183 -2.606 -6.240 1.00 15.00 O ATOM 426 CB TRP A 262 1.100 -4.816 -6.252 1.00 15.00 C ATOM 427 CG TRP A 262 2.576 -5.016 -6.173 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.242 -6.188 -5.986 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.573 -4.019 -6.196 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.570 -6.006 -6.034 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.808 -4.695 -6.130 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.566 -2.630 -6.294 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.993 -4.047 -6.149 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.774 -1.989 -6.272 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.952 -2.717 -6.203 1.00 15.00 C ATOM 0 H TRP A 262 0.889 -5.526 -3.905 1.00 15.00 H new ATOM 0 HA TRP A 262 1.098 -2.983 -5.104 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.611 -5.788 -6.189 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.855 -4.399 -7.229 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.763 -7.142 -5.820 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.276 -6.741 -6.003 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.641 -2.079 -6.384 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.930 -4.583 -6.122 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.810 -0.910 -6.309 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.887 -2.176 -6.192 1.00 15.00 H new ATOM 446 N HIS A 263 -1.839 -4.435 -5.122 1.00 15.00 N ATOM 447 CA HIS A 263 -3.216 -4.303 -5.558 1.00 15.00 C ATOM 448 C HIS A 263 -3.931 -3.258 -4.721 1.00 15.00 C ATOM 449 O HIS A 263 -3.845 -3.262 -3.490 1.00 15.00 O ATOM 450 CB HIS A 263 -3.961 -5.657 -5.509 1.00 15.00 C ATOM 451 CG HIS A 263 -4.592 -6.007 -4.187 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.879 -5.639 -3.851 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.121 -6.707 -3.130 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.167 -6.101 -2.650 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.118 -6.752 -2.191 1.00 15.00 N ATOM 0 H HIS A 263 -1.661 -5.212 -4.485 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.212 -3.976 -6.598 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.739 -5.650 -6.272 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.259 -6.447 -5.776 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.140 -7.149 -3.042 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.104 -5.968 -2.131 1.00 15.00 H new ATOM 0 HE2 HIS A 263 -5.058 -7.215 -1.284 1.00 15.00 H new ATOM 464 N ASP A 264 -4.615 -2.354 -5.400 1.00 15.00 N ATOM 465 CA ASP A 264 -5.494 -1.402 -4.744 1.00 15.00 C ATOM 466 C ASP A 264 -6.449 -2.160 -3.827 1.00 15.00 C ATOM 467 O ASP A 264 -7.009 -3.177 -4.210 1.00 15.00 O ATOM 468 CB ASP A 264 -6.258 -0.610 -5.804 1.00 15.00 C ATOM 469 CG ASP A 264 -7.162 0.445 -5.216 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.194 0.083 -4.623 1.00 15.00 O ATOM 471 OD2 ASP A 264 -6.853 1.645 -5.368 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.578 -2.259 -6.415 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.917 -0.700 -4.141 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.545 -0.135 -6.478 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.854 -1.298 -6.404 1.00 15.00 H new ATOM 476 N PRO A 265 -6.626 -1.710 -2.594 1.00 15.00 N ATOM 477 CA PRO A 265 -7.416 -2.444 -1.618 1.00 15.00 C ATOM 478 C PRO A 265 -8.907 -2.406 -1.869 1.00 15.00 C ATOM 479 O PRO A 265 -9.664 -3.170 -1.273 1.00 15.00 O ATOM 480 CB PRO A 265 -7.077 -1.783 -0.298 1.00 15.00 C ATOM 481 CG PRO A 265 -6.588 -0.417 -0.645 1.00 15.00 C ATOM 482 CD PRO A 265 -6.049 -0.478 -2.042 1.00 15.00 C ATOM 0 HA PRO A 265 -7.175 -3.506 -1.656 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.951 -1.733 0.351 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.314 -2.348 0.238 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.398 0.310 -0.577 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.813 -0.098 0.052 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.345 0.396 -2.622 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.959 -0.510 -2.048 1.00 15.00 H new ATOM 490 N ARG A 266 -9.337 -1.505 -2.718 1.00 15.00 N ATOM 491 CA ARG A 266 -10.725 -1.456 -3.112 1.00 15.00 C ATOM 492 C ARG A 266 -10.951 -2.487 -4.198 1.00 15.00 C ATOM 493 O ARG A 266 -12.076 -2.742 -4.636 1.00 15.00 O ATOM 494 CB ARG A 266 -11.052 -0.071 -3.613 1.00 15.00 C ATOM 495 CG ARG A 266 -12.543 0.214 -3.674 1.00 15.00 C ATOM 496 CD ARG A 266 -13.101 0.694 -2.343 1.00 15.00 C ATOM 497 NE ARG A 266 -13.334 2.136 -2.350 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.435 2.722 -1.876 1.00 15.00 C ATOM 499 NH1 ARG A 266 -15.384 2.001 -1.290 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -14.581 4.036 -1.982 1.00 15.00 N ATOM 0 H ARG A 266 -8.746 -0.795 -3.150 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.375 -1.678 -2.265 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.576 0.664 -2.964 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.624 0.058 -4.607 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.734 0.968 -4.437 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -13.070 -0.690 -3.980 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -14.035 0.174 -2.130 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.406 0.440 -1.543 1.00 15.00 H new ATOM 0 HE ARG A 266 -12.607 2.734 -2.743 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -15.274 0.991 -1.199 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -16.222 2.457 -0.930 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -13.853 4.596 -2.425 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -15.422 4.487 -1.621 1.00 15.00 H new ATOM 514 N ILE A 267 -9.846 -3.069 -4.619 1.00 15.00 N ATOM 515 CA ILE A 267 -9.867 -4.130 -5.629 1.00 15.00 C ATOM 516 C ILE A 267 -10.359 -5.428 -5.007 1.00 15.00 C ATOM 517 O ILE A 267 -11.465 -5.882 -5.367 1.00 15.00 O ATOM 518 CB ILE A 267 -8.485 -4.397 -6.274 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.908 -3.131 -6.916 1.00 15.00 C ATOM 520 CG2 ILE A 267 -8.582 -5.511 -7.310 1.00 15.00 C ATOM 521 CD1 ILE A 267 -8.835 -2.464 -7.914 1.00 15.00 C ATOM 522 OXT ILE A 267 -9.645 -5.979 -4.146 1.00 15.00 O ATOM 0 H ILE A 267 -8.914 -2.830 -4.281 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.539 -3.783 -6.414 1.00 15.00 H new ATOM 0 HB ILE A 267 -7.809 -4.710 -5.478 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.664 -2.417 -6.130 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -6.974 -3.384 -7.417 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -7.601 -5.684 -7.752 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -8.929 -6.426 -6.829 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.285 -5.222 -8.091 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -8.352 -1.576 -8.322 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -9.060 -3.159 -8.723 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -9.761 -2.177 -7.415 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.224 3.621 12.943 1.00 15.00 N ATOM 536 CA SER B 210 8.095 3.643 11.996 1.00 15.00 C ATOM 537 C SER B 210 8.611 3.649 10.562 1.00 15.00 C ATOM 538 O SER B 210 9.016 4.691 10.039 1.00 15.00 O ATOM 539 CB SER B 210 7.227 4.877 12.246 1.00 15.00 C ATOM 540 OG SER B 210 6.967 5.042 13.630 1.00 15.00 O ATOM 0 HA SER B 210 7.491 2.748 12.148 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.728 5.764 11.858 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.286 4.780 11.704 1.00 15.00 H new ATOM 0 HG SER B 210 7.755 4.771 14.145 1.00 15.00 H new ATOM 548 N ASP B 211 8.646 2.477 9.946 1.00 15.00 N ATOM 549 CA ASP B 211 9.128 2.345 8.582 1.00 15.00 C ATOM 550 C ASP B 211 8.417 1.184 7.902 1.00 15.00 C ATOM 551 O ASP B 211 8.357 0.083 8.448 1.00 15.00 O ATOM 552 CB ASP B 211 10.641 2.124 8.584 1.00 15.00 C ATOM 553 CG ASP B 211 11.256 2.277 7.210 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.175 3.387 6.645 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.830 1.297 6.696 1.00 15.00 O ATOM 0 H ASP B 211 8.345 1.601 10.373 1.00 15.00 H new ATOM 0 HA ASP B 211 8.915 3.260 8.029 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.107 2.834 9.267 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.858 1.126 8.965 1.00 15.00 H new ATOM 560 N PRO B 212 7.860 1.413 6.707 1.00 15.00 N ATOM 561 CA PRO B 212 7.084 0.408 5.999 1.00 15.00 C ATOM 562 C PRO B 212 7.933 -0.460 5.081 1.00 15.00 C ATOM 563 O PRO B 212 8.996 -0.049 4.611 1.00 15.00 O ATOM 564 CB PRO B 212 6.120 1.245 5.160 1.00 15.00 C ATOM 565 CG PRO B 212 6.723 2.613 5.050 1.00 15.00 C ATOM 566 CD PRO B 212 7.931 2.668 5.957 1.00 15.00 C ATOM 0 HA PRO B 212 6.606 -0.287 6.690 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.981 0.803 4.174 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.138 1.291 5.630 1.00 15.00 H new ATOM 0 HG2 PRO B 212 7.011 2.820 4.019 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.997 3.373 5.337 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.857 2.742 5.387 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.895 3.533 6.619 1.00 15.00 H new ATOM 574 N GLY B 213 7.424 -1.646 4.787 1.00 15.00 N ATOM 575 CA GLY B 213 8.112 -2.542 3.891 1.00 15.00 C ATOM 576 C GLY B 213 7.692 -2.319 2.455 1.00 15.00 C ATOM 577 O GLY B 213 6.636 -1.735 2.188 1.00 15.00 O ATOM 0 H GLY B 213 6.543 -2.003 5.156 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.188 -2.396 3.984 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.905 -3.574 4.176 1.00 15.00 H new HETATM 581 N SEP B 214 8.521 -2.769 1.536 1.00 15.00 N HETATM 582 CA SEP B 214 8.294 -2.553 0.123 1.00 15.00 C HETATM 583 CB SEP B 214 9.616 -2.205 -0.574 1.00 15.00 C HETATM 584 OG SEP B 214 10.610 -3.186 -0.327 1.00 15.00 O HETATM 585 C SEP B 214 7.631 -3.773 -0.522 1.00 15.00 C HETATM 586 O SEP B 214 7.674 -4.881 0.014 1.00 15.00 O HETATM 587 P SEP B 214 12.109 -3.148 -0.956 1.00 15.00 P HETATM 588 O1P SEP B 214 12.049 -2.633 -2.332 1.00 15.00 O HETATM 589 O2P SEP B 214 12.948 -2.282 -0.125 1.00 15.00 O HETATM 590 O3P SEP B 214 12.648 -4.507 -0.946 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.450 -2.117 -1.648 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.967 -1.234 -0.225 1.00 15.00 H new HETATM 0 HA SEP B 214 7.610 -1.712 0.005 1.00 15.00 H new HETATM 0 H SEP B 214 9.461 -2.680 1.921 1.00 15.00 H new ATOM 595 N PRO B 215 7.013 -3.573 -1.691 1.00 15.00 N ATOM 596 CA PRO B 215 6.391 -4.661 -2.461 1.00 15.00 C ATOM 597 C PRO B 215 7.387 -5.326 -3.404 1.00 15.00 C ATOM 598 O PRO B 215 8.252 -4.664 -3.985 1.00 15.00 O ATOM 599 CB PRO B 215 5.412 -3.913 -3.372 1.00 15.00 C ATOM 600 CG PRO B 215 5.353 -2.520 -2.871 1.00 15.00 C ATOM 601 CD PRO B 215 6.676 -2.261 -2.238 1.00 15.00 C ATOM 0 HA PRO B 215 5.972 -5.420 -1.800 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.749 -3.939 -4.408 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.426 -4.377 -3.346 1.00 15.00 H new ATOM 0 HG2 PRO B 215 5.165 -1.819 -3.684 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.544 -2.397 -2.151 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.415 -1.919 -2.963 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.614 -1.499 -1.461 1.00 15.00 H new ATOM 609 N PHE B 216 7.254 -6.635 -3.550 1.00 15.00 N ATOM 610 CA PHE B 216 8.151 -7.409 -4.393 1.00 15.00 C ATOM 611 C PHE B 216 7.411 -7.922 -5.623 1.00 15.00 C ATOM 612 O PHE B 216 7.324 -7.235 -6.639 1.00 15.00 O ATOM 613 CB PHE B 216 8.733 -8.583 -3.601 1.00 15.00 C ATOM 614 CG PHE B 216 9.301 -8.188 -2.268 1.00 15.00 C ATOM 615 CD1 PHE B 216 10.545 -7.587 -2.180 1.00 15.00 C ATOM 616 CD2 PHE B 216 8.585 -8.416 -1.104 1.00 15.00 C ATOM 617 CE1 PHE B 216 11.064 -7.221 -0.955 1.00 15.00 C ATOM 618 CE2 PHE B 216 9.099 -8.052 0.124 1.00 15.00 C ATOM 619 CZ PHE B 216 10.341 -7.453 0.200 1.00 15.00 C ATOM 0 H PHE B 216 6.528 -7.186 -3.092 1.00 15.00 H new ATOM 0 HA PHE B 216 8.967 -6.764 -4.721 1.00 15.00 H new ATOM 0 HB2 PHE B 216 7.953 -9.329 -3.447 1.00 15.00 H new ATOM 0 HB3 PHE B 216 9.515 -9.058 -4.193 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.115 -7.403 -3.079 1.00 15.00 H new ATOM 0 HD2 PHE B 216 7.613 -8.884 -1.158 1.00 15.00 H new ATOM 0 HE1 PHE B 216 12.036 -6.753 -0.899 1.00 15.00 H new ATOM 0 HE2 PHE B 216 8.531 -8.235 1.024 1.00 15.00 H new ATOM 0 HZ PHE B 216 10.746 -7.167 1.159 1.00 15.00 H new ATOM 629 N GLN B 217 6.820 -9.100 -5.502 1.00 15.00 N ATOM 630 CA GLN B 217 6.107 -9.716 -6.609 1.00 15.00 C ATOM 631 C GLN B 217 4.603 -9.621 -6.390 1.00 15.00 C ATOM 632 O GLN B 217 4.139 -9.988 -5.291 1.00 15.00 O ATOM 633 CB GLN B 217 6.533 -11.176 -6.778 1.00 15.00 C ATOM 634 CG GLN B 217 6.435 -11.998 -5.503 1.00 15.00 C ATOM 635 CD GLN B 217 6.796 -13.454 -5.715 1.00 15.00 C ATOM 636 OE1 GLN B 217 7.329 -14.107 -4.821 1.00 15.00 O ATOM 637 NE2 GLN B 217 6.498 -13.979 -6.892 1.00 15.00 N ATOM 638 OXT GLN B 217 3.893 -9.186 -7.322 1.00 15.00 O ATOM 0 H GLN B 217 6.820 -9.651 -4.644 1.00 15.00 H new ATOM 0 HA GLN B 217 6.359 -9.178 -7.523 1.00 15.00 H new ATOM 0 HB2 GLN B 217 5.913 -11.639 -7.545 1.00 15.00 H new ATOM 0 HB3 GLN B 217 7.561 -11.205 -7.139 1.00 15.00 H new ATOM 0 HG2 GLN B 217 7.096 -11.571 -4.749 1.00 15.00 H new ATOM 0 HG3 GLN B 217 5.420 -11.933 -5.111 1.00 15.00 H new ATOM 0 HE21 GLN B 217 6.056 -13.405 -7.609 1.00 15.00 H new ATOM 0 HE22 GLN B 217 6.711 -14.958 -7.082 1.00 15.00 H new TER 647 GLN B 217