USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 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 120:sc= -0.545 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.421 X(o=-0.97,f=-0.58) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.67) USER MOD Set 2.2: A 256 GLN : amide:sc= -0.0229 K(o=-1.8,f=-1.3) USER MOD Set 3.1: A 249 GLN : amide:sc= -5.74! K(o=-6.7!,f=-2.7) USER MOD Set 3.2: B 217 GLN : amide:sc= -1 K(o=-6.7,f=-8.1) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.46) USER MOD Single : A 244 THR OG1 : rot 51:sc= 0.0221 USER MOD Single : A 245 THR OG1 : rot 160:sc= 0.00715 USER MOD Single : A 247 GLN : amide:sc= 0.173 K(o=0.17,f=-0.74) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 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 -21:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -11.880 5.695 -4.791 1.00 15.00 N ATOM 2 CA GLU A 235 -11.456 5.926 -3.393 1.00 15.00 C ATOM 3 C GLU A 235 -11.083 4.614 -2.716 1.00 15.00 C ATOM 4 O GLU A 235 -11.081 3.561 -3.355 1.00 15.00 O ATOM 5 CB GLU A 235 -12.558 6.665 -2.608 1.00 15.00 C ATOM 6 CG GLU A 235 -13.981 6.192 -2.898 1.00 15.00 C ATOM 7 CD GLU A 235 -14.281 4.804 -2.368 1.00 15.00 C ATOM 8 OE1 GLU A 235 -14.025 3.820 -3.091 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -14.781 4.687 -1.235 1.00 15.00 O ATOM 0 HA GLU A 235 -10.568 6.558 -3.403 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.363 6.551 -1.542 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.492 7.730 -2.832 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -14.686 6.899 -2.460 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -14.146 6.204 -3.975 1.00 15.00 H new ATOM 18 N LEU A 236 -10.748 4.683 -1.434 1.00 15.00 N ATOM 19 CA LEU A 236 -10.389 3.499 -0.666 1.00 15.00 C ATOM 20 C LEU A 236 -11.173 3.481 0.634 1.00 15.00 C ATOM 21 O LEU A 236 -11.716 4.507 1.050 1.00 15.00 O ATOM 22 CB LEU A 236 -8.887 3.489 -0.324 1.00 15.00 C ATOM 23 CG LEU A 236 -7.922 3.661 -1.495 1.00 15.00 C ATOM 24 CD1 LEU A 236 -6.485 3.676 -1.002 1.00 15.00 C ATOM 25 CD2 LEU A 236 -8.120 2.554 -2.514 1.00 15.00 C ATOM 0 H LEU A 236 -10.718 5.553 -0.902 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.623 2.624 -1.273 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.695 4.285 0.396 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.656 2.547 0.173 1.00 15.00 H new ATOM 0 HG LEU A 236 -8.132 4.616 -1.977 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.811 3.799 -1.850 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -6.348 4.503 -0.306 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -6.264 2.736 -0.496 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -7.424 2.692 -3.341 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.936 1.589 -2.043 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -9.142 2.585 -2.891 1.00 15.00 H new ATOM 37 N PRO A 237 -11.230 2.323 1.302 1.00 15.00 N ATOM 38 CA PRO A 237 -11.686 2.249 2.689 1.00 15.00 C ATOM 39 C PRO A 237 -10.684 2.892 3.622 1.00 15.00 C ATOM 40 O PRO A 237 -9.573 3.254 3.231 1.00 15.00 O ATOM 41 CB PRO A 237 -11.795 0.743 2.973 1.00 15.00 C ATOM 42 CG PRO A 237 -11.702 0.066 1.645 1.00 15.00 C ATOM 43 CD PRO A 237 -10.937 0.994 0.743 1.00 15.00 C ATOM 0 HA PRO A 237 -12.628 2.775 2.842 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.996 0.412 3.636 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.738 0.506 3.467 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.194 -0.894 1.734 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.695 -0.135 1.242 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.869 0.778 0.756 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.266 0.911 -0.293 1.00 15.00 H new ATOM 51 N GLU A 238 -11.100 3.027 4.848 1.00 15.00 N ATOM 52 CA GLU A 238 -10.331 3.753 5.851 1.00 15.00 C ATOM 53 C GLU A 238 -9.053 3.010 6.250 1.00 15.00 C ATOM 54 O GLU A 238 -9.068 1.806 6.526 1.00 15.00 O ATOM 55 CB GLU A 238 -11.198 3.977 7.091 1.00 15.00 C ATOM 56 CG GLU A 238 -10.516 4.788 8.179 1.00 15.00 C ATOM 57 CD GLU A 238 -10.216 6.207 7.745 1.00 15.00 C ATOM 58 OE1 GLU A 238 -9.151 6.442 7.142 1.00 15.00 O ATOM 59 OE2 GLU A 238 -11.050 7.099 8.013 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.979 2.642 5.193 1.00 15.00 H new ATOM 0 HA GLU A 238 -10.035 4.707 5.414 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.116 4.485 6.794 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.487 3.009 7.500 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.152 4.809 9.064 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -9.587 4.295 8.466 1.00 15.00 H new ATOM 66 N GLY A 239 -7.950 3.759 6.288 1.00 15.00 N ATOM 67 CA GLY A 239 -6.692 3.222 6.771 1.00 15.00 C ATOM 68 C GLY A 239 -5.731 2.808 5.670 1.00 15.00 C ATOM 69 O GLY A 239 -4.921 1.903 5.873 1.00 15.00 O ATOM 0 H GLY A 239 -7.909 4.734 5.990 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.208 3.969 7.399 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -6.897 2.358 7.403 1.00 15.00 H new ATOM 73 N TYR A 240 -5.800 3.450 4.509 1.00 15.00 N ATOM 74 CA TYR A 240 -4.874 3.133 3.424 1.00 15.00 C ATOM 75 C TYR A 240 -4.006 4.325 3.069 1.00 15.00 C ATOM 76 O TYR A 240 -4.508 5.402 2.743 1.00 15.00 O ATOM 77 CB TYR A 240 -5.618 2.652 2.173 1.00 15.00 C ATOM 78 CG TYR A 240 -6.290 1.321 2.361 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.542 0.173 2.556 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.667 1.213 2.372 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.153 -1.049 2.751 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.284 -0.001 2.571 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.525 -1.129 2.762 1.00 15.00 C ATOM 84 OH TYR A 240 -8.135 -2.342 2.968 1.00 15.00 O ATOM 0 H TYR A 240 -6.476 4.183 4.295 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.234 2.327 3.784 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.367 3.394 1.895 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.914 2.583 1.343 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.464 0.234 2.556 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.270 2.096 2.222 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.556 -1.938 2.894 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.362 -0.066 2.577 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.108 -2.227 2.948 1.00 15.00 H new ATOM 94 N GLU A 241 -2.702 4.124 3.130 1.00 15.00 N ATOM 95 CA GLU A 241 -1.753 5.119 2.673 1.00 15.00 C ATOM 96 C GLU A 241 -0.907 4.539 1.549 1.00 15.00 C ATOM 97 O GLU A 241 -0.233 3.521 1.713 1.00 15.00 O ATOM 98 CB GLU A 241 -0.869 5.622 3.824 1.00 15.00 C ATOM 99 CG GLU A 241 -0.117 4.528 4.564 1.00 15.00 C ATOM 100 CD GLU A 241 0.785 5.078 5.649 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.260 5.519 6.692 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 2.023 5.083 5.462 1.00 15.00 O ATOM 0 H GLU A 241 -2.275 3.273 3.495 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.306 5.979 2.294 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.148 6.336 3.426 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.493 6.162 4.536 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.832 3.835 5.007 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.481 3.958 3.853 1.00 15.00 H new ATOM 109 N GLN A 242 -0.977 5.169 0.392 1.00 15.00 N ATOM 110 CA GLN A 242 -0.196 4.744 -0.754 1.00 15.00 C ATOM 111 C GLN A 242 1.138 5.472 -0.734 1.00 15.00 C ATOM 112 O GLN A 242 1.194 6.686 -0.929 1.00 15.00 O ATOM 113 CB GLN A 242 -0.975 5.024 -2.047 1.00 15.00 C ATOM 114 CG GLN A 242 -0.346 4.449 -3.308 1.00 15.00 C ATOM 115 CD GLN A 242 0.587 5.420 -4.003 1.00 15.00 C ATOM 116 OE1 GLN A 242 1.786 5.451 -3.742 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.032 6.228 -4.891 1.00 15.00 N ATOM 0 H GLN A 242 -1.570 5.981 0.220 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.007 3.671 -0.710 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -1.982 4.619 -1.943 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.076 6.103 -2.167 1.00 15.00 H new ATOM 0 HG2 GLN A 242 0.206 3.545 -3.052 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.136 4.155 -3.999 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -0.969 6.169 -5.078 1.00 15.00 H new ATOM 0 HE22 GLN A 242 0.605 6.910 -5.388 1.00 15.00 H new ATOM 126 N ARG A 243 2.203 4.739 -0.449 1.00 15.00 N ATOM 127 CA ARG A 243 3.511 5.353 -0.302 1.00 15.00 C ATOM 128 C ARG A 243 4.322 5.285 -1.574 1.00 15.00 C ATOM 129 O ARG A 243 4.242 4.332 -2.349 1.00 15.00 O ATOM 130 CB ARG A 243 4.304 4.725 0.835 1.00 15.00 C ATOM 131 CG ARG A 243 4.068 5.395 2.169 1.00 15.00 C ATOM 132 CD ARG A 243 4.941 4.782 3.247 1.00 15.00 C ATOM 133 NE ARG A 243 4.629 5.303 4.576 1.00 15.00 N ATOM 134 CZ ARG A 243 5.520 5.902 5.366 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.789 6.006 4.985 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 5.145 6.365 6.554 1.00 15.00 N ATOM 0 H ARG A 243 2.187 3.728 -0.316 1.00 15.00 H new ATOM 0 HA ARG A 243 3.323 6.401 -0.068 1.00 15.00 H new ATOM 0 HB2 ARG A 243 4.040 3.670 0.914 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.367 4.770 0.596 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.280 6.461 2.087 1.00 15.00 H new ATOM 0 HG3 ARG A 243 3.019 5.299 2.448 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.812 3.700 3.244 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.988 4.979 3.019 1.00 15.00 H new ATOM 0 HE ARG A 243 3.674 5.202 4.919 1.00 15.00 H new ATOM 0 HH11 ARG A 243 7.084 5.627 4.085 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.468 6.465 5.592 1.00 15.00 H new ATOM 0 HH21 ARG A 243 4.177 6.262 6.859 1.00 15.00 H new ATOM 0 HH22 ARG A 243 5.825 6.824 7.160 1.00 15.00 H new ATOM 150 N THR A 244 5.158 6.285 -1.715 1.00 15.00 N ATOM 151 CA THR A 244 5.982 6.462 -2.891 1.00 15.00 C ATOM 152 C THR A 244 7.451 6.241 -2.553 1.00 15.00 C ATOM 153 O THR A 244 8.130 7.120 -2.021 1.00 15.00 O ATOM 154 CB THR A 244 5.782 7.862 -3.502 1.00 15.00 C ATOM 155 OG1 THR A 244 5.714 8.847 -2.458 1.00 15.00 O ATOM 156 CG2 THR A 244 4.514 7.913 -4.341 1.00 15.00 C ATOM 0 H THR A 244 5.288 7.009 -1.009 1.00 15.00 H new ATOM 0 HA THR A 244 5.676 5.720 -3.629 1.00 15.00 H new ATOM 0 HB THR A 244 6.632 8.077 -4.149 1.00 15.00 H new ATOM 0 HG1 THR A 244 6.478 8.737 -1.854 1.00 15.00 H new ATOM 0 HG21 THR A 244 4.396 8.912 -4.761 1.00 15.00 H new ATOM 0 HG22 THR A 244 4.583 7.185 -5.149 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.653 7.679 -3.714 1.00 15.00 H new ATOM 164 N THR A 245 7.915 5.040 -2.829 1.00 15.00 N ATOM 165 CA THR A 245 9.302 4.669 -2.615 1.00 15.00 C ATOM 166 C THR A 245 10.121 4.945 -3.866 1.00 15.00 C ATOM 167 O THR A 245 9.580 4.924 -4.974 1.00 15.00 O ATOM 168 CB THR A 245 9.438 3.181 -2.217 1.00 15.00 C ATOM 169 OG1 THR A 245 10.796 2.749 -2.356 1.00 15.00 O ATOM 170 CG2 THR A 245 8.529 2.302 -3.064 1.00 15.00 C ATOM 0 H THR A 245 7.340 4.289 -3.210 1.00 15.00 H new ATOM 0 HA THR A 245 9.682 5.275 -1.792 1.00 15.00 H new ATOM 0 HB THR A 245 9.137 3.086 -1.174 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.941 1.946 -1.813 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.645 1.261 -2.762 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.492 2.607 -2.922 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.797 2.407 -4.115 1.00 15.00 H new ATOM 178 N VAL A 246 11.411 5.241 -3.680 1.00 15.00 N ATOM 179 CA VAL A 246 12.344 5.454 -4.794 1.00 15.00 C ATOM 180 C VAL A 246 12.268 4.297 -5.804 1.00 15.00 C ATOM 181 O VAL A 246 12.688 4.430 -6.955 1.00 15.00 O ATOM 182 CB VAL A 246 13.798 5.599 -4.281 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.746 5.984 -5.409 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.868 6.620 -3.156 1.00 15.00 C ATOM 0 H VAL A 246 11.838 5.340 -2.759 1.00 15.00 H new ATOM 0 HA VAL A 246 12.052 6.378 -5.292 1.00 15.00 H new ATOM 0 HB VAL A 246 14.113 4.630 -3.893 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.759 6.078 -5.017 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.726 5.214 -6.180 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.433 6.936 -5.838 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.897 6.708 -2.808 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.524 7.588 -3.521 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.233 6.297 -2.331 1.00 15.00 H new ATOM 194 N GLN A 247 11.713 3.165 -5.359 1.00 15.00 N ATOM 195 CA GLN A 247 11.410 2.036 -6.237 1.00 15.00 C ATOM 196 C GLN A 247 10.614 2.488 -7.463 1.00 15.00 C ATOM 197 O GLN A 247 10.673 1.863 -8.521 1.00 15.00 O ATOM 198 CB GLN A 247 10.580 0.989 -5.489 1.00 15.00 C ATOM 199 CG GLN A 247 11.280 0.332 -4.317 1.00 15.00 C ATOM 200 CD GLN A 247 12.582 -0.345 -4.700 1.00 15.00 C ATOM 201 OE1 GLN A 247 12.764 -0.781 -5.838 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.476 -0.474 -3.737 1.00 15.00 N ATOM 0 H GLN A 247 11.463 3.008 -4.383 1.00 15.00 H new ATOM 0 HA GLN A 247 12.361 1.609 -6.557 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.667 1.462 -5.128 1.00 15.00 H new ATOM 0 HB3 GLN A 247 10.280 0.214 -6.194 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.480 1.084 -3.554 1.00 15.00 H new ATOM 0 HG3 GLN A 247 10.613 -0.405 -3.871 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.284 -0.097 -2.809 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.359 -0.950 -3.921 1.00 15.00 H new ATOM 211 N GLY A 248 9.838 3.550 -7.294 1.00 15.00 N ATOM 212 CA GLY A 248 9.008 4.055 -8.373 1.00 15.00 C ATOM 213 C GLY A 248 7.726 3.264 -8.507 1.00 15.00 C ATOM 214 O GLY A 248 7.081 3.273 -9.556 1.00 15.00 O ATOM 0 H GLY A 248 9.768 4.075 -6.422 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.772 5.103 -8.191 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.563 4.011 -9.310 1.00 15.00 H new ATOM 218 N GLN A 249 7.351 2.588 -7.430 1.00 15.00 N ATOM 219 CA GLN A 249 6.189 1.711 -7.436 1.00 15.00 C ATOM 220 C GLN A 249 5.191 2.172 -6.380 1.00 15.00 C ATOM 221 O GLN A 249 5.587 2.613 -5.299 1.00 15.00 O ATOM 222 CB GLN A 249 6.624 0.272 -7.134 1.00 15.00 C ATOM 223 CG GLN A 249 7.980 -0.092 -7.710 1.00 15.00 C ATOM 224 CD GLN A 249 8.410 -1.509 -7.382 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.142 -2.440 -8.137 1.00 15.00 O ATOM 226 NE2 GLN A 249 9.081 -1.680 -6.246 1.00 15.00 N ATOM 0 H GLN A 249 7.839 2.631 -6.535 1.00 15.00 H new ATOM 0 HA GLN A 249 5.719 1.748 -8.419 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.648 0.129 -6.054 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.875 -0.414 -7.530 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.952 0.030 -8.793 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.727 0.604 -7.330 1.00 15.00 H new ATOM 0 HE21 GLN A 249 9.283 -0.879 -5.647 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.394 -2.612 -5.974 1.00 15.00 H new ATOM 235 N VAL A 250 3.908 2.045 -6.684 1.00 15.00 N ATOM 236 CA VAL A 250 2.863 2.383 -5.727 1.00 15.00 C ATOM 237 C VAL A 250 2.516 1.155 -4.895 1.00 15.00 C ATOM 238 O VAL A 250 2.361 0.056 -5.428 1.00 15.00 O ATOM 239 CB VAL A 250 1.587 2.912 -6.429 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.869 4.228 -7.138 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.037 1.886 -7.412 1.00 15.00 C ATOM 0 H VAL A 250 3.565 1.711 -7.585 1.00 15.00 H new ATOM 0 HA VAL A 250 3.244 3.177 -5.084 1.00 15.00 H new ATOM 0 HB VAL A 250 0.832 3.086 -5.662 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.960 4.582 -7.624 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.203 4.968 -6.411 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.646 4.078 -7.887 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.142 2.284 -7.890 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.789 1.670 -8.171 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.787 0.969 -6.879 1.00 15.00 H new ATOM 251 N TYR A 251 2.429 1.330 -3.587 1.00 15.00 N ATOM 252 CA TYR A 251 2.165 0.210 -2.704 1.00 15.00 C ATOM 253 C TYR A 251 1.208 0.632 -1.591 1.00 15.00 C ATOM 254 O TYR A 251 1.394 1.672 -0.951 1.00 15.00 O ATOM 255 CB TYR A 251 3.515 -0.371 -2.210 1.00 15.00 C ATOM 256 CG TYR A 251 4.315 0.425 -1.179 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.856 0.621 0.120 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.575 0.931 -1.503 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.616 1.299 1.054 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.337 1.597 -0.571 1.00 15.00 C ATOM 261 CZ TYR A 251 5.857 1.779 0.704 1.00 15.00 C ATOM 262 OH TYR A 251 6.626 2.443 1.633 1.00 15.00 O ATOM 0 H TYR A 251 2.536 2.229 -3.118 1.00 15.00 H new ATOM 0 HA TYR A 251 1.655 -0.597 -3.229 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.318 -1.357 -1.788 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.152 -0.519 -3.082 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.888 0.236 0.404 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.959 0.797 -2.504 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.238 1.451 2.054 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.311 1.976 -0.841 1.00 15.00 H new ATOM 0 HH TYR A 251 7.473 2.714 1.222 1.00 15.00 H new ATOM 272 N PHE A 252 0.160 -0.162 -1.395 1.00 15.00 N ATOM 273 CA PHE A 252 -0.904 0.196 -0.465 1.00 15.00 C ATOM 274 C PHE A 252 -0.628 -0.317 0.931 1.00 15.00 C ATOM 275 O PHE A 252 -0.542 -1.523 1.165 1.00 15.00 O ATOM 276 CB PHE A 252 -2.262 -0.317 -0.961 1.00 15.00 C ATOM 277 CG PHE A 252 -2.809 0.525 -2.084 1.00 15.00 C ATOM 278 CD1 PHE A 252 -3.059 1.875 -1.883 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.016 -0.010 -3.351 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.512 2.670 -2.918 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.455 0.789 -4.389 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.704 2.128 -4.172 1.00 15.00 C ATOM 0 H PHE A 252 0.025 -1.056 -1.867 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.936 1.285 -0.420 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.158 -1.348 -1.299 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.971 -0.322 -0.134 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.898 2.309 -0.907 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.832 -1.060 -3.525 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.716 3.716 -2.745 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.603 0.365 -5.371 1.00 15.00 H new ATOM 0 HZ PHE A 252 -4.049 2.752 -4.983 1.00 15.00 H new ATOM 292 N LEU A 253 -0.474 0.625 1.849 1.00 15.00 N ATOM 293 CA LEU A 253 -0.295 0.315 3.252 1.00 15.00 C ATOM 294 C LEU A 253 -1.598 0.448 4.014 1.00 15.00 C ATOM 295 O LEU A 253 -2.260 1.483 3.970 1.00 15.00 O ATOM 296 CB LEU A 253 0.719 1.251 3.891 1.00 15.00 C ATOM 297 CG LEU A 253 2.173 0.809 3.842 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.033 1.894 4.438 1.00 15.00 C ATOM 299 CD2 LEU A 253 2.371 -0.493 4.602 1.00 15.00 C ATOM 0 H LEU A 253 -0.470 1.623 1.639 1.00 15.00 H new ATOM 0 HA LEU A 253 0.060 -0.714 3.303 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.641 2.223 3.404 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.441 1.395 4.935 1.00 15.00 H new ATOM 0 HG LEU A 253 2.459 0.636 2.804 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.079 1.587 4.408 1.00 15.00 H new ATOM 0 HD12 LEU A 253 2.908 2.813 3.866 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.735 2.067 5.472 1.00 15.00 H new ATOM 0 HD21 LEU A 253 3.419 -0.788 4.552 1.00 15.00 H new ATOM 0 HD22 LEU A 253 2.083 -0.354 5.644 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.753 -1.272 4.156 1.00 15.00 H new ATOM 311 N HIS A 254 -1.945 -0.600 4.717 1.00 15.00 N ATOM 312 CA HIS A 254 -2.998 -0.544 5.706 1.00 15.00 C ATOM 313 C HIS A 254 -2.497 -1.231 6.943 1.00 15.00 C ATOM 314 O HIS A 254 -2.646 -2.449 7.078 1.00 15.00 O ATOM 315 CB HIS A 254 -4.276 -1.240 5.213 1.00 15.00 C ATOM 316 CG HIS A 254 -5.347 -1.422 6.261 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.529 -2.609 6.948 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.288 -0.572 6.736 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.530 -2.474 7.801 1.00 15.00 C ATOM 320 NE2 HIS A 254 -7.008 -1.250 7.691 1.00 15.00 N ATOM 0 H HIS A 254 -1.508 -1.517 4.622 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.251 0.498 5.904 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.691 -0.662 4.387 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.008 -2.219 4.815 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.444 0.450 6.423 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.894 -3.237 8.474 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.786 -0.868 8.228 1.00 15.00 H new ATOM 329 N THR A 255 -1.863 -0.512 7.850 1.00 15.00 N ATOM 330 CA THR A 255 -1.401 -1.214 9.006 1.00 15.00 C ATOM 331 C THR A 255 -2.427 -1.119 10.118 1.00 15.00 C ATOM 332 O THR A 255 -2.440 -0.206 10.941 1.00 15.00 O ATOM 333 CB THR A 255 -0.015 -0.696 9.471 1.00 15.00 C ATOM 334 OG1 THR A 255 0.352 -1.296 10.717 1.00 15.00 O ATOM 335 CG2 THR A 255 0.008 0.823 9.604 1.00 15.00 C ATOM 0 H THR A 255 -1.671 0.489 7.809 1.00 15.00 H new ATOM 0 HA THR A 255 -1.275 -2.264 8.741 1.00 15.00 H new ATOM 0 HB THR A 255 0.708 -0.978 8.706 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.229 -0.960 10.996 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.997 1.145 9.932 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.220 1.276 8.639 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.736 1.135 10.336 1.00 15.00 H new ATOM 343 N GLN A 256 -3.330 -2.075 10.066 1.00 15.00 N ATOM 344 CA GLN A 256 -4.018 -2.607 11.209 1.00 15.00 C ATOM 345 C GLN A 256 -3.340 -3.920 11.527 1.00 15.00 C ATOM 346 O GLN A 256 -2.855 -4.172 12.628 1.00 15.00 O ATOM 347 CB GLN A 256 -5.497 -2.801 10.880 1.00 15.00 C ATOM 348 CG GLN A 256 -6.310 -3.455 11.977 1.00 15.00 C ATOM 349 CD GLN A 256 -7.774 -3.568 11.607 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.121 -3.663 10.429 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.635 -3.568 12.607 1.00 15.00 N ATOM 0 H GLN A 256 -3.611 -2.515 9.190 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.974 -1.937 12.067 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.935 -1.829 10.653 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.578 -3.406 9.977 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.910 -4.448 12.182 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.212 -2.876 12.895 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.301 -3.487 13.567 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.634 -3.649 12.420 1.00 15.00 H new ATOM 360 N THR A 257 -3.317 -4.738 10.474 1.00 15.00 N ATOM 361 CA THR A 257 -2.735 -6.063 10.493 1.00 15.00 C ATOM 362 C THR A 257 -1.373 -6.093 9.893 1.00 15.00 C ATOM 363 O THR A 257 -0.582 -7.028 9.999 1.00 15.00 O ATOM 364 CB THR A 257 -3.671 -7.103 9.862 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.935 -6.738 8.497 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.988 -7.172 10.618 1.00 15.00 C ATOM 0 H THR A 257 -3.713 -4.484 9.569 1.00 15.00 H new ATOM 0 HA THR A 257 -2.612 -6.339 11.540 1.00 15.00 H new ATOM 0 HB THR A 257 -3.186 -8.078 9.907 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.531 -7.401 8.091 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.636 -7.915 10.153 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.799 -7.453 11.654 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.475 -6.197 10.589 1.00 15.00 H new ATOM 374 N GLY A 258 -1.188 -5.029 9.278 1.00 15.00 N ATOM 375 CA GLY A 258 -0.025 -4.766 8.448 1.00 15.00 C ATOM 376 C GLY A 258 -0.203 -5.192 6.997 1.00 15.00 C ATOM 377 O GLY A 258 0.392 -6.175 6.556 1.00 15.00 O ATOM 0 H GLY A 258 -1.846 -4.251 9.310 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.200 -3.700 8.480 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.836 -5.286 8.868 1.00 15.00 H new ATOM 381 N VAL A 259 -1.029 -4.463 6.258 1.00 15.00 N ATOM 382 CA VAL A 259 -1.155 -4.692 4.814 1.00 15.00 C ATOM 383 C VAL A 259 -0.168 -3.844 4.025 1.00 15.00 C ATOM 384 O VAL A 259 -0.071 -2.632 4.215 1.00 15.00 O ATOM 385 CB VAL A 259 -2.581 -4.410 4.272 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.599 -4.397 2.747 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.545 -5.462 4.777 1.00 15.00 C ATOM 0 H VAL A 259 -1.618 -3.715 6.624 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.936 -5.751 4.677 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.887 -3.427 4.631 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.612 -4.197 2.397 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.928 -3.619 2.382 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.270 -5.366 2.371 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.543 -5.256 4.391 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.221 -6.446 4.437 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.566 -5.443 5.867 1.00 15.00 H new ATOM 397 N SER A 260 0.552 -4.516 3.146 1.00 15.00 N ATOM 398 CA SER A 260 1.385 -3.871 2.140 1.00 15.00 C ATOM 399 C SER A 260 1.321 -4.689 0.858 1.00 15.00 C ATOM 400 O SER A 260 1.846 -5.802 0.795 1.00 15.00 O ATOM 401 CB SER A 260 2.834 -3.710 2.620 1.00 15.00 C ATOM 402 OG SER A 260 3.220 -4.780 3.467 1.00 15.00 O ATOM 0 H SER A 260 0.577 -5.535 3.107 1.00 15.00 H new ATOM 0 HA SER A 260 1.006 -2.866 1.955 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.501 -3.666 1.759 1.00 15.00 H new ATOM 0 HB3 SER A 260 2.939 -2.765 3.153 1.00 15.00 H new ATOM 0 HG SER A 260 4.148 -4.651 3.755 1.00 15.00 H new ATOM 408 N THR A 261 0.640 -4.159 -0.145 1.00 15.00 N ATOM 409 CA THR A 261 0.359 -4.923 -1.350 1.00 15.00 C ATOM 410 C THR A 261 0.284 -4.027 -2.580 1.00 15.00 C ATOM 411 O THR A 261 -0.040 -2.841 -2.484 1.00 15.00 O ATOM 412 CB THR A 261 -0.952 -5.731 -1.217 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.216 -6.451 -2.431 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.127 -4.818 -0.896 1.00 15.00 C ATOM 0 H THR A 261 0.273 -3.207 -0.149 1.00 15.00 H new ATOM 0 HA THR A 261 1.188 -5.619 -1.476 1.00 15.00 H new ATOM 0 HB THR A 261 -0.830 -6.438 -0.397 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.247 -7.412 -2.241 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.036 -5.413 -0.808 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.939 -4.301 0.045 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.248 -4.086 -1.695 1.00 15.00 H new ATOM 422 N TRP A 262 0.643 -4.602 -3.725 1.00 15.00 N ATOM 423 CA TRP A 262 0.572 -3.908 -5.004 1.00 15.00 C ATOM 424 C TRP A 262 -0.869 -3.618 -5.406 1.00 15.00 C ATOM 425 O TRP A 262 -1.141 -2.652 -6.117 1.00 15.00 O ATOM 426 CB TRP A 262 1.204 -4.748 -6.113 1.00 15.00 C ATOM 427 CG TRP A 262 2.658 -5.031 -5.935 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.244 -6.235 -5.684 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.709 -4.098 -5.897 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.575 -6.133 -5.647 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.889 -4.843 -5.737 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.796 -2.714 -6.008 1.00 15.00 C ATOM 433 CZ2 TRP A 262 6.103 -4.276 -5.678 1.00 15.00 C ATOM 434 CZ3 TRP A 262 5.039 -2.151 -5.896 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.159 -2.958 -5.735 1.00 15.00 C ATOM 0 H TRP A 262 0.990 -5.559 -3.790 1.00 15.00 H new ATOM 0 HA TRP A 262 1.114 -2.971 -4.879 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.670 -5.696 -6.180 1.00 15.00 H new ATOM 0 HB3 TRP A 262 1.062 -4.234 -7.064 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.700 -7.156 -5.534 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.234 -6.907 -5.564 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.918 -2.108 -6.176 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.998 -4.873 -5.588 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 5.149 -1.077 -5.933 1.00 15.00 H new ATOM 0 HH2 TRP A 262 7.125 -2.482 -5.652 1.00 15.00 H new ATOM 446 N HIS A 263 -1.787 -4.479 -4.984 1.00 15.00 N ATOM 447 CA HIS A 263 -3.159 -4.384 -5.452 1.00 15.00 C ATOM 448 C HIS A 263 -3.936 -3.369 -4.629 1.00 15.00 C ATOM 449 O HIS A 263 -3.869 -3.369 -3.397 1.00 15.00 O ATOM 450 CB HIS A 263 -3.858 -5.764 -5.430 1.00 15.00 C ATOM 451 CG HIS A 263 -4.564 -6.123 -4.149 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.882 -5.798 -3.907 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.145 -6.803 -3.055 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.237 -6.265 -2.724 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.203 -6.883 -2.186 1.00 15.00 N ATOM 0 H HIS A 263 -1.608 -5.239 -4.328 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.137 -4.042 -6.487 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.583 -5.795 -6.243 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.112 -6.531 -5.638 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.488 -5.278 -4.542 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.157 -7.209 -2.896 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.212 -6.159 -2.272 1.00 15.00 H new ATOM 464 N ASP A 264 -4.665 -2.509 -5.322 1.00 15.00 N ATOM 465 CA ASP A 264 -5.576 -1.587 -4.668 1.00 15.00 C ATOM 466 C ASP A 264 -6.562 -2.393 -3.829 1.00 15.00 C ATOM 467 O ASP A 264 -7.128 -3.372 -4.297 1.00 15.00 O ATOM 468 CB ASP A 264 -6.299 -0.734 -5.720 1.00 15.00 C ATOM 469 CG ASP A 264 -7.173 0.343 -5.113 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.168 0.003 -4.451 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.877 1.542 -5.311 1.00 15.00 O ATOM 0 H ASP A 264 -4.643 -2.431 -6.339 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.029 -0.908 -4.014 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.560 -0.269 -6.372 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.913 -1.382 -6.345 1.00 15.00 H new ATOM 476 N PRO A 265 -6.744 -2.037 -2.563 1.00 15.00 N ATOM 477 CA PRO A 265 -7.573 -2.811 -1.648 1.00 15.00 C ATOM 478 C PRO A 265 -9.055 -2.617 -1.869 1.00 15.00 C ATOM 479 O PRO A 265 -9.878 -3.369 -1.344 1.00 15.00 O ATOM 480 CB PRO A 265 -7.153 -2.320 -0.260 1.00 15.00 C ATOM 481 CG PRO A 265 -6.003 -1.386 -0.490 1.00 15.00 C ATOM 482 CD PRO A 265 -6.142 -0.886 -1.894 1.00 15.00 C ATOM 0 HA PRO A 265 -7.423 -3.881 -1.793 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.977 -1.811 0.241 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.859 -3.154 0.378 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -6.025 -0.560 0.221 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.051 -1.900 -0.353 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.776 -0.001 -1.952 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.180 -0.617 -2.329 1.00 15.00 H new ATOM 490 N ARG A 266 -9.394 -1.594 -2.613 1.00 15.00 N ATOM 491 CA ARG A 266 -10.767 -1.353 -2.976 1.00 15.00 C ATOM 492 C ARG A 266 -11.137 -2.272 -4.121 1.00 15.00 C ATOM 493 O ARG A 266 -12.296 -2.375 -4.526 1.00 15.00 O ATOM 494 CB ARG A 266 -10.927 0.090 -3.389 1.00 15.00 C ATOM 495 CG ARG A 266 -12.356 0.566 -3.365 1.00 15.00 C ATOM 496 CD ARG A 266 -12.955 0.449 -1.975 1.00 15.00 C ATOM 497 NE ARG A 266 -13.974 1.459 -1.725 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.038 1.271 -0.947 1.00 15.00 C ATOM 499 NH1 ARG A 266 -15.319 0.061 -0.464 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.837 2.291 -0.672 1.00 15.00 N ATOM 0 H ARG A 266 -8.732 -0.911 -2.981 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.424 -1.551 -2.129 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.332 0.718 -2.726 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.526 0.219 -4.394 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.401 1.603 -3.696 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.948 -0.019 -4.069 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -13.391 -0.542 -1.852 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.163 0.543 -1.232 1.00 15.00 H new ATOM 0 HE ARG A 266 -13.866 2.368 -2.174 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.717 -0.731 -0.690 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -16.136 -0.073 0.131 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -15.636 3.214 -1.056 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.654 2.153 -0.077 1.00 15.00 H new ATOM 514 N ILE A 267 -10.115 -2.926 -4.635 1.00 15.00 N ATOM 515 CA ILE A 267 -10.276 -3.881 -5.731 1.00 15.00 C ATOM 516 C ILE A 267 -11.020 -5.114 -5.236 1.00 15.00 C ATOM 517 O ILE A 267 -12.153 -5.361 -5.699 1.00 15.00 O ATOM 518 CB ILE A 267 -8.922 -4.323 -6.353 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.155 -3.129 -6.939 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.145 -5.385 -7.426 1.00 15.00 C ATOM 521 CD1 ILE A 267 -8.939 -2.334 -7.962 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.482 -5.811 -4.353 1.00 15.00 O ATOM 0 H ILE A 267 -9.153 -2.817 -4.313 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.845 -3.372 -6.509 1.00 15.00 H new ATOM 0 HB ILE A 267 -8.317 -4.751 -5.553 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.861 -2.465 -6.126 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.237 -3.492 -7.402 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -8.185 -5.681 -7.849 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -9.630 -6.254 -6.982 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.779 -4.979 -8.214 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -8.328 -1.509 -8.327 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -9.210 -2.982 -8.796 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -9.844 -1.939 -7.500 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.783 2.273 13.606 1.00 15.00 N ATOM 536 CA SER B 210 8.562 2.573 12.832 1.00 15.00 C ATOM 537 C SER B 210 8.899 2.815 11.363 1.00 15.00 C ATOM 538 O SER B 210 9.293 3.914 10.973 1.00 15.00 O ATOM 539 CB SER B 210 7.843 3.785 13.433 1.00 15.00 C ATOM 540 OG SER B 210 8.753 4.846 13.675 1.00 15.00 O ATOM 0 HA SER B 210 7.895 1.712 12.885 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.059 4.121 12.754 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.356 3.498 14.365 1.00 15.00 H new ATOM 0 HG SER B 210 9.665 4.490 13.724 1.00 15.00 H new ATOM 548 N ASP B 211 8.802 1.762 10.565 1.00 15.00 N ATOM 549 CA ASP B 211 9.111 1.848 9.146 1.00 15.00 C ATOM 550 C ASP B 211 8.283 0.843 8.353 1.00 15.00 C ATOM 551 O ASP B 211 8.149 -0.318 8.749 1.00 15.00 O ATOM 552 CB ASP B 211 10.612 1.627 8.904 1.00 15.00 C ATOM 553 CG ASP B 211 11.121 0.312 9.459 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.307 0.215 10.692 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.358 -0.619 8.667 1.00 15.00 O1- ATOM 0 H ASP B 211 8.511 0.836 10.877 1.00 15.00 H new ATOM 0 HA ASP B 211 8.854 2.849 8.800 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.809 1.662 7.833 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.171 2.446 9.358 1.00 15.00 H new ATOM 560 N PRO B 212 7.717 1.280 7.223 1.00 15.00 N ATOM 561 CA PRO B 212 6.919 0.435 6.343 1.00 15.00 C ATOM 562 C PRO B 212 7.771 -0.250 5.284 1.00 15.00 C ATOM 563 O PRO B 212 8.664 0.362 4.694 1.00 15.00 O ATOM 564 CB PRO B 212 5.967 1.438 5.665 1.00 15.00 C ATOM 565 CG PRO B 212 6.356 2.791 6.171 1.00 15.00 C ATOM 566 CD PRO B 212 7.743 2.653 6.730 1.00 15.00 C ATOM 0 HA PRO B 212 6.418 -0.365 6.888 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.057 1.388 4.580 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.928 1.215 5.909 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.333 3.527 5.368 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.661 3.133 6.938 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.509 2.802 5.970 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.939 3.372 7.526 1.00 15.00 H new ATOM 574 N GLY B 213 7.472 -1.516 5.033 1.00 15.00 N ATOM 575 CA GLY B 213 8.224 -2.275 4.062 1.00 15.00 C ATOM 576 C GLY B 213 7.628 -2.153 2.680 1.00 15.00 C ATOM 577 O GLY B 213 6.403 -2.127 2.525 1.00 15.00 O ATOM 0 H GLY B 213 6.718 -2.031 5.488 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.256 -1.925 4.046 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.247 -3.324 4.358 1.00 15.00 H new HETATM 581 N SEP B 214 8.487 -2.081 1.681 1.00 15.00 N HETATM 582 CA SEP B 214 8.065 -1.923 0.307 1.00 15.00 C HETATM 583 CB SEP B 214 9.101 -1.114 -0.480 1.00 15.00 C HETATM 584 OG SEP B 214 10.123 -0.622 0.371 1.00 15.00 O HETATM 585 C SEP B 214 7.853 -3.285 -0.351 1.00 15.00 C HETATM 586 O SEP B 214 8.381 -4.301 0.106 1.00 15.00 O HETATM 587 P SEP B 214 11.581 -0.150 -0.156 1.00 15.00 P HETATM 588 O1P SEP B 214 11.873 -0.826 -1.422 1.00 15.00 O HETATM 589 O2P SEP B 214 12.575 -0.516 0.857 1.00 15.00 O HETATM 590 O3P SEP B 214 11.556 1.305 -0.340 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.541 -1.740 -1.257 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.610 -0.280 -0.982 1.00 15.00 H new HETATM 0 HA SEP B 214 7.118 -1.383 0.300 1.00 15.00 H new HETATM 0 H SEP B 214 9.369 -1.675 1.994 1.00 15.00 H new ATOM 595 N PRO B 215 7.100 -3.302 -1.449 1.00 15.00 N ATOM 596 CA PRO B 215 6.779 -4.520 -2.190 1.00 15.00 C ATOM 597 C PRO B 215 7.834 -4.838 -3.246 1.00 15.00 C ATOM 598 O PRO B 215 8.440 -3.933 -3.824 1.00 15.00 O ATOM 599 CB PRO B 215 5.507 -4.119 -2.951 1.00 15.00 C ATOM 600 CG PRO B 215 5.059 -2.876 -2.317 1.00 15.00 C ATOM 601 CD PRO B 215 6.324 -2.182 -1.929 1.00 15.00 C ATOM 0 HA PRO B 215 6.699 -5.382 -1.528 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.712 -3.969 -4.011 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.744 -4.895 -2.881 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.468 -2.270 -3.003 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.433 -3.076 -1.448 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.798 -1.680 -2.773 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.164 -1.428 -1.159 1.00 15.00 H new ATOM 609 N PHE B 216 8.055 -6.119 -3.489 1.00 15.00 N ATOM 610 CA PHE B 216 8.932 -6.548 -4.566 1.00 15.00 C ATOM 611 C PHE B 216 8.158 -7.411 -5.553 1.00 15.00 C ATOM 612 O PHE B 216 7.109 -7.963 -5.214 1.00 15.00 O ATOM 613 CB PHE B 216 10.141 -7.306 -4.016 1.00 15.00 C ATOM 614 CG PHE B 216 11.078 -6.438 -3.225 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.845 -5.470 -3.855 1.00 15.00 C ATOM 616 CD2 PHE B 216 11.198 -6.590 -1.853 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.711 -4.671 -3.135 1.00 15.00 C ATOM 618 CE2 PHE B 216 12.062 -5.793 -1.127 1.00 15.00 C ATOM 619 CZ PHE B 216 12.820 -4.834 -1.769 1.00 15.00 C ATOM 0 H PHE B 216 7.639 -6.881 -2.954 1.00 15.00 H new ATOM 0 HA PHE B 216 9.302 -5.665 -5.087 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.792 -8.122 -3.384 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.687 -7.756 -4.845 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.764 -5.339 -4.924 1.00 15.00 H new ATOM 0 HD2 PHE B 216 10.610 -7.340 -1.345 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.301 -3.921 -3.640 1.00 15.00 H new ATOM 0 HE2 PHE B 216 12.144 -5.920 -0.058 1.00 15.00 H new ATOM 0 HZ PHE B 216 13.497 -4.212 -1.203 1.00 15.00 H new ATOM 629 N GLN B 217 8.679 -7.515 -6.765 1.00 15.00 N ATOM 630 CA GLN B 217 8.014 -8.245 -7.836 1.00 15.00 C ATOM 631 C GLN B 217 8.125 -9.749 -7.618 1.00 15.00 C ATOM 632 O GLN B 217 7.107 -10.385 -7.268 1.00 15.00 O ATOM 633 CB GLN B 217 8.613 -7.870 -9.197 1.00 15.00 C ATOM 634 CG GLN B 217 8.535 -6.384 -9.536 1.00 15.00 C ATOM 635 CD GLN B 217 9.633 -5.558 -8.884 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.479 -5.050 -7.774 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.749 -5.410 -9.577 1.00 15.00 N ATOM 638 OXT GLN B 217 9.235 -10.293 -7.788 1.00 15.00 O ATOM 0 H GLN B 217 9.570 -7.099 -7.035 1.00 15.00 H new ATOM 0 HA GLN B 217 6.960 -7.968 -7.825 1.00 15.00 H new ATOM 0 HB2 GLN B 217 9.658 -8.180 -9.218 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.098 -8.434 -9.974 1.00 15.00 H new ATOM 0 HG2 GLN B 217 8.592 -6.262 -10.618 1.00 15.00 H new ATOM 0 HG3 GLN B 217 7.565 -5.998 -9.223 1.00 15.00 H new ATOM 0 HE21 GLN B 217 10.841 -5.846 -10.495 1.00 15.00 H new ATOM 0 HE22 GLN B 217 11.518 -4.860 -9.194 1.00 15.00 H new TER 647 GLN B 217