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 130:sc= -0.229 USER MOD Set 1.2: A 263 HIS : no HE2:sc= 0.323 K(o=0.094,f=-1.5!) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.53) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 X(o=-1.7,f=-1.5) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.33) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 163:sc= -2.54! USER MOD Single : A 247 GLN : amide:sc= 0.374 K(o=0.37,f=-2.9!) USER MOD Single : A 249 GLN : amide:sc= -5.28! C(o=-5.3!,f=-3.5!) 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 34:sc= 0.17 USER MOD Single : B 217 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -10.779 6.792 -4.417 1.00 15.00 N ATOM 2 CA GLU A 235 -10.941 6.696 -2.954 1.00 15.00 C ATOM 3 C GLU A 235 -10.768 5.257 -2.489 1.00 15.00 C ATOM 4 O GLU A 235 -11.203 4.323 -3.155 1.00 15.00 O ATOM 5 CB GLU A 235 -12.317 7.237 -2.525 1.00 15.00 C ATOM 6 CG GLU A 235 -13.420 7.112 -3.576 1.00 15.00 C ATOM 7 CD GLU A 235 -13.611 5.700 -4.088 1.00 15.00 C ATOM 8 OE1 GLU A 235 -14.309 4.907 -3.424 1.00 15.00 O ATOM 9 OE2 GLU A 235 -13.055 5.381 -5.160 1.00 15.00 O1- ATOM 0 HA GLU A 235 -10.169 7.305 -2.484 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.633 6.709 -1.625 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.209 8.288 -2.257 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -14.359 7.465 -3.149 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -13.186 7.766 -4.416 1.00 15.00 H new ATOM 18 N LEU A 236 -10.123 5.083 -1.352 1.00 15.00 N ATOM 19 CA LEU A 236 -9.983 3.763 -0.756 1.00 15.00 C ATOM 20 C LEU A 236 -10.790 3.718 0.532 1.00 15.00 C ATOM 21 O LEU A 236 -11.280 4.753 0.993 1.00 15.00 O ATOM 22 CB LEU A 236 -8.511 3.423 -0.430 1.00 15.00 C ATOM 23 CG LEU A 236 -7.477 3.613 -1.553 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.973 3.028 -2.861 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.107 5.077 -1.720 1.00 15.00 C ATOM 0 H LEU A 236 -9.687 5.837 -0.821 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.345 3.031 -1.478 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.204 4.035 0.418 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.469 2.383 -0.105 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.576 3.072 -1.264 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -7.220 3.178 -3.635 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -8.157 1.961 -2.736 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.898 3.524 -3.154 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.375 5.178 -2.521 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.999 5.652 -1.969 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.681 5.453 -0.790 1.00 15.00 H new ATOM 37 N PRO A 237 -10.943 2.531 1.135 1.00 15.00 N ATOM 38 CA PRO A 237 -11.460 2.415 2.496 1.00 15.00 C ATOM 39 C PRO A 237 -10.455 2.956 3.490 1.00 15.00 C ATOM 40 O PRO A 237 -9.279 3.148 3.176 1.00 15.00 O ATOM 41 CB PRO A 237 -11.667 0.906 2.694 1.00 15.00 C ATOM 42 CG PRO A 237 -11.567 0.299 1.332 1.00 15.00 C ATOM 43 CD PRO A 237 -10.696 1.217 0.525 1.00 15.00 C ATOM 0 HA PRO A 237 -12.378 2.982 2.648 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.912 0.492 3.363 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.638 0.700 3.143 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.136 -0.701 1.383 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.553 0.199 0.878 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.645 0.934 0.588 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.967 1.205 -0.531 1.00 15.00 H new ATOM 51 N GLU A 238 -10.929 3.191 4.680 1.00 15.00 N ATOM 52 CA GLU A 238 -10.133 3.836 5.709 1.00 15.00 C ATOM 53 C GLU A 238 -9.017 2.922 6.202 1.00 15.00 C ATOM 54 O GLU A 238 -9.186 1.708 6.324 1.00 15.00 O ATOM 55 CB GLU A 238 -11.018 4.252 6.889 1.00 15.00 C ATOM 56 CG GLU A 238 -11.679 3.094 7.618 1.00 15.00 C ATOM 57 CD GLU A 238 -12.919 2.575 6.918 1.00 15.00 C ATOM 58 OE1 GLU A 238 -12.788 1.757 5.983 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -14.033 2.978 7.309 1.00 15.00 O ATOM 0 H GLU A 238 -11.875 2.945 4.973 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.681 4.724 5.267 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.413 4.815 7.600 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.793 4.926 6.526 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -10.961 2.281 7.720 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -11.946 3.413 8.626 1.00 15.00 H new ATOM 66 N GLY A 239 -7.880 3.528 6.498 1.00 15.00 N ATOM 67 CA GLY A 239 -6.753 2.785 7.018 1.00 15.00 C ATOM 68 C GLY A 239 -5.708 2.469 5.968 1.00 15.00 C ATOM 69 O GLY A 239 -4.738 1.771 6.254 1.00 15.00 O ATOM 0 H GLY A 239 -7.716 4.529 6.387 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.289 3.357 7.822 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.112 1.853 7.456 1.00 15.00 H new ATOM 73 N TYR A 240 -5.898 2.963 4.750 1.00 15.00 N ATOM 74 CA TYR A 240 -4.908 2.761 3.698 1.00 15.00 C ATOM 75 C TYR A 240 -4.132 4.034 3.436 1.00 15.00 C ATOM 76 O TYR A 240 -4.715 5.090 3.184 1.00 15.00 O ATOM 77 CB TYR A 240 -5.552 2.313 2.381 1.00 15.00 C ATOM 78 CG TYR A 240 -6.251 0.980 2.458 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.534 -0.195 2.616 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.626 0.903 2.380 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.178 -1.418 2.702 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.281 -0.305 2.467 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.555 -1.467 2.633 1.00 15.00 C ATOM 84 OH TYR A 240 -8.203 -2.679 2.729 1.00 15.00 O ATOM 0 H TYR A 240 -6.718 3.500 4.468 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.239 1.977 4.053 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.270 3.070 2.065 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.782 2.263 1.611 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.456 -0.157 2.673 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.200 1.808 2.248 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.607 -2.327 2.822 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.359 -0.343 2.406 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.171 -2.539 2.663 1.00 15.00 H new ATOM 94 N GLU A 241 -2.821 3.935 3.493 1.00 15.00 N ATOM 95 CA GLU A 241 -1.964 5.011 3.047 1.00 15.00 C ATOM 96 C GLU A 241 -1.223 4.581 1.792 1.00 15.00 C ATOM 97 O GLU A 241 -0.563 3.539 1.764 1.00 15.00 O ATOM 98 CB GLU A 241 -0.992 5.454 4.147 1.00 15.00 C ATOM 99 CG GLU A 241 -0.257 4.321 4.847 1.00 15.00 C ATOM 100 CD GLU A 241 0.693 4.828 5.912 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.229 5.520 6.842 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 1.908 4.563 5.811 1.00 15.00 O ATOM 0 H GLU A 241 -2.325 3.117 3.845 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.584 5.876 2.813 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.256 6.130 3.711 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.546 6.024 4.893 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.982 3.645 5.301 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.301 3.742 4.111 1.00 15.00 H new ATOM 109 N GLN A 242 -1.353 5.377 0.748 1.00 15.00 N ATOM 110 CA GLN A 242 -0.726 5.074 -0.521 1.00 15.00 C ATOM 111 C GLN A 242 0.661 5.685 -0.553 1.00 15.00 C ATOM 112 O GLN A 242 0.808 6.902 -0.692 1.00 15.00 O ATOM 113 CB GLN A 242 -1.569 5.629 -1.665 1.00 15.00 C ATOM 114 CG GLN A 242 -1.071 5.247 -3.046 1.00 15.00 C ATOM 115 CD GLN A 242 -1.328 6.333 -4.069 1.00 15.00 C ATOM 116 OE1 GLN A 242 -2.290 7.093 -3.960 1.00 15.00 O ATOM 117 NE2 GLN A 242 -0.460 6.427 -5.058 1.00 15.00 N ATOM 0 H GLN A 242 -1.891 6.243 0.756 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.648 3.993 -0.638 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.594 5.277 -1.550 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.595 6.716 -1.588 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.002 5.040 -3.000 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.561 4.327 -3.365 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.324 5.777 -5.112 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.573 7.150 -5.769 1.00 15.00 H new ATOM 126 N ARG A 243 1.674 4.854 -0.386 1.00 15.00 N ATOM 127 CA ARG A 243 3.032 5.353 -0.319 1.00 15.00 C ATOM 128 C ARG A 243 3.743 5.258 -1.642 1.00 15.00 C ATOM 129 O ARG A 243 3.507 4.358 -2.453 1.00 15.00 O ATOM 130 CB ARG A 243 3.848 4.648 0.755 1.00 15.00 C ATOM 131 CG ARG A 243 3.696 5.298 2.109 1.00 15.00 C ATOM 132 CD ARG A 243 4.577 4.637 3.151 1.00 15.00 C ATOM 133 NE ARG A 243 4.151 4.966 4.504 1.00 15.00 N ATOM 134 CZ ARG A 243 4.850 5.716 5.346 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.043 6.183 4.998 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.352 5.987 6.542 1.00 15.00 N ATOM 0 H ARG A 243 1.583 3.842 -0.295 1.00 15.00 H new ATOM 0 HA ARG A 243 2.946 6.407 -0.053 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.537 3.605 0.818 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.900 4.651 0.469 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.950 6.355 2.036 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.654 5.242 2.425 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.553 3.556 3.015 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.610 4.954 3.008 1.00 15.00 H new ATOM 0 HE ARG A 243 3.257 4.596 4.825 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.427 5.966 4.079 1.00 15.00 H new ATOM 0 HH12 ARG A 243 6.575 6.759 5.650 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.439 5.620 6.809 1.00 15.00 H new ATOM 0 HH22 ARG A 243 4.882 6.563 7.197 1.00 15.00 H new ATOM 150 N THR A 244 4.644 6.191 -1.808 1.00 15.00 N ATOM 151 CA THR A 244 5.453 6.304 -2.997 1.00 15.00 C ATOM 152 C THR A 244 6.923 6.188 -2.624 1.00 15.00 C ATOM 153 O THR A 244 7.380 6.809 -1.660 1.00 15.00 O ATOM 154 CB THR A 244 5.199 7.645 -3.710 1.00 15.00 C ATOM 155 OG1 THR A 244 5.198 8.713 -2.749 1.00 15.00 O ATOM 156 CG2 THR A 244 3.870 7.624 -4.453 1.00 15.00 C ATOM 0 H THR A 244 4.841 6.907 -1.109 1.00 15.00 H new ATOM 0 HA THR A 244 5.182 5.498 -3.679 1.00 15.00 H new ATOM 0 HB THR A 244 5.997 7.804 -4.435 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.038 9.565 -3.207 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.715 8.583 -4.948 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.882 6.829 -5.198 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.060 7.446 -3.745 1.00 15.00 H new ATOM 164 N THR A 245 7.654 5.384 -3.365 1.00 15.00 N ATOM 165 CA THR A 245 9.047 5.133 -3.057 1.00 15.00 C ATOM 166 C THR A 245 9.893 5.144 -4.321 1.00 15.00 C ATOM 167 O THR A 245 9.409 4.807 -5.406 1.00 15.00 O ATOM 168 CB THR A 245 9.220 3.789 -2.313 1.00 15.00 C ATOM 169 OG1 THR A 245 10.610 3.499 -2.116 1.00 15.00 O ATOM 170 CG2 THR A 245 8.559 2.651 -3.076 1.00 15.00 C ATOM 0 H THR A 245 7.307 4.891 -4.188 1.00 15.00 H new ATOM 0 HA THR A 245 9.389 5.935 -2.402 1.00 15.00 H new ATOM 0 HB THR A 245 8.734 3.882 -1.342 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.706 2.811 -1.425 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.697 1.718 -2.529 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.494 2.855 -3.183 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.012 2.563 -4.063 1.00 15.00 H new ATOM 178 N VAL A 246 11.156 5.537 -4.169 1.00 15.00 N ATOM 179 CA VAL A 246 12.108 5.578 -5.276 1.00 15.00 C ATOM 180 C VAL A 246 12.259 4.222 -5.953 1.00 15.00 C ATOM 181 O VAL A 246 12.801 4.127 -7.051 1.00 15.00 O ATOM 182 CB VAL A 246 13.492 6.043 -4.812 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.512 7.547 -4.604 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.905 5.321 -3.540 1.00 15.00 C ATOM 0 H VAL A 246 11.548 5.836 -3.276 1.00 15.00 H new ATOM 0 HA VAL A 246 11.701 6.292 -5.992 1.00 15.00 H new ATOM 0 HB VAL A 246 14.212 5.796 -5.593 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.504 7.856 -4.275 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.269 8.047 -5.541 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.777 7.819 -3.846 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.891 5.667 -3.229 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.182 5.530 -2.752 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.939 4.247 -3.726 1.00 15.00 H new ATOM 194 N GLN A 247 11.800 3.180 -5.279 1.00 15.00 N ATOM 195 CA GLN A 247 11.739 1.841 -5.866 1.00 15.00 C ATOM 196 C GLN A 247 10.958 1.875 -7.185 1.00 15.00 C ATOM 197 O GLN A 247 11.129 1.014 -8.047 1.00 15.00 O ATOM 198 CB GLN A 247 11.084 0.854 -4.888 1.00 15.00 C ATOM 199 CG GLN A 247 11.643 0.916 -3.477 1.00 15.00 C ATOM 200 CD GLN A 247 13.162 0.820 -3.436 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.865 1.825 -3.528 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.675 -0.386 -3.273 1.00 15.00 N ATOM 0 H GLN A 247 11.461 3.231 -4.318 1.00 15.00 H new ATOM 0 HA GLN A 247 12.756 1.506 -6.068 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.013 1.052 -4.852 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.208 -0.158 -5.272 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.330 1.849 -3.009 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.217 0.105 -2.887 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.060 -1.196 -3.201 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.686 -0.507 -3.219 1.00 15.00 H new ATOM 211 N GLY A 248 10.090 2.877 -7.322 1.00 15.00 N ATOM 212 CA GLY A 248 9.348 3.079 -8.557 1.00 15.00 C ATOM 213 C GLY A 248 8.004 2.392 -8.526 1.00 15.00 C ATOM 214 O GLY A 248 7.510 1.917 -9.547 1.00 15.00 O ATOM 0 H GLY A 248 9.886 3.559 -6.591 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.206 4.147 -8.725 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.930 2.699 -9.396 1.00 15.00 H new ATOM 218 N GLN A 249 7.403 2.353 -7.348 1.00 15.00 N ATOM 219 CA GLN A 249 6.204 1.560 -7.133 1.00 15.00 C ATOM 220 C GLN A 249 5.304 2.174 -6.085 1.00 15.00 C ATOM 221 O GLN A 249 5.759 2.631 -5.034 1.00 15.00 O ATOM 222 CB GLN A 249 6.591 0.152 -6.690 1.00 15.00 C ATOM 223 CG GLN A 249 7.985 0.098 -6.128 1.00 15.00 C ATOM 224 CD GLN A 249 8.518 -1.301 -5.903 1.00 15.00 C ATOM 225 OE1 GLN A 249 9.095 -1.913 -6.799 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.359 -1.801 -4.690 1.00 15.00 N ATOM 0 H GLN A 249 7.726 2.862 -6.525 1.00 15.00 H new ATOM 0 HA GLN A 249 5.659 1.527 -8.076 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.884 -0.198 -5.938 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.516 -0.528 -7.539 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.657 0.624 -6.806 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.002 0.636 -5.180 1.00 15.00 H new ATOM 0 HE21 GLN A 249 7.874 -1.259 -3.975 1.00 15.00 H new ATOM 0 HE22 GLN A 249 8.722 -2.728 -4.469 1.00 15.00 H new ATOM 235 N VAL A 250 4.026 2.147 -6.381 1.00 15.00 N ATOM 236 CA VAL A 250 3.003 2.516 -5.422 1.00 15.00 C ATOM 237 C VAL A 250 2.544 1.270 -4.677 1.00 15.00 C ATOM 238 O VAL A 250 2.225 0.251 -5.292 1.00 15.00 O ATOM 239 CB VAL A 250 1.788 3.201 -6.094 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.154 4.599 -6.564 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.262 2.374 -7.261 1.00 15.00 C ATOM 0 H VAL A 250 3.663 1.869 -7.293 1.00 15.00 H new ATOM 0 HA VAL A 250 3.438 3.236 -4.729 1.00 15.00 H new ATOM 0 HB VAL A 250 0.997 3.277 -5.348 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.287 5.064 -7.033 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.469 5.199 -5.710 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.969 4.539 -7.286 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.409 2.882 -7.712 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.049 2.255 -8.006 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.951 1.393 -6.901 1.00 15.00 H new ATOM 251 N TYR A 251 2.545 1.330 -3.360 1.00 15.00 N ATOM 252 CA TYR A 251 2.164 0.180 -2.566 1.00 15.00 C ATOM 253 C TYR A 251 1.178 0.601 -1.479 1.00 15.00 C ATOM 254 O TYR A 251 1.358 1.632 -0.825 1.00 15.00 O ATOM 255 CB TYR A 251 3.425 -0.516 -2.011 1.00 15.00 C ATOM 256 CG TYR A 251 4.266 0.285 -1.022 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.864 0.447 0.298 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.485 0.851 -1.408 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.639 1.149 1.202 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.266 1.548 -0.504 1.00 15.00 C ATOM 261 CZ TYR A 251 5.838 1.695 0.798 1.00 15.00 C ATOM 262 OH TYR A 251 6.611 2.386 1.703 1.00 15.00 O ATOM 0 H TYR A 251 2.803 2.156 -2.821 1.00 15.00 H new ATOM 0 HA TYR A 251 1.649 -0.554 -3.186 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.117 -1.442 -1.525 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.060 -0.793 -2.853 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.929 0.016 0.624 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.822 0.742 -2.428 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.306 1.269 2.222 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.207 1.975 -0.817 1.00 15.00 H new ATOM 0 HH TYR A 251 7.425 2.706 1.261 1.00 15.00 H new ATOM 272 N PHE A 252 0.123 -0.186 -1.310 1.00 15.00 N ATOM 273 CA PHE A 252 -0.951 0.167 -0.393 1.00 15.00 C ATOM 274 C PHE A 252 -0.699 -0.371 0.999 1.00 15.00 C ATOM 275 O PHE A 252 -0.554 -1.579 1.201 1.00 15.00 O ATOM 276 CB PHE A 252 -2.297 -0.313 -0.936 1.00 15.00 C ATOM 277 CG PHE A 252 -2.784 0.581 -2.039 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.961 1.934 -1.798 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.005 0.100 -3.323 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.358 2.786 -2.806 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.391 0.955 -4.339 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.568 2.301 -4.077 1.00 15.00 C ATOM 0 H PHE A 252 -0.011 -1.073 -1.796 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.979 1.254 -0.315 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.200 -1.333 -1.307 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.031 -0.335 -0.130 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.786 2.326 -0.807 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.874 -0.952 -3.530 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.505 3.836 -2.598 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.554 0.572 -5.336 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.871 2.971 -4.868 1.00 15.00 H new ATOM 292 N LEU A 253 -0.659 0.549 1.951 1.00 15.00 N ATOM 293 CA LEU A 253 -0.341 0.227 3.327 1.00 15.00 C ATOM 294 C LEU A 253 -1.570 0.355 4.220 1.00 15.00 C ATOM 295 O LEU A 253 -2.133 1.434 4.368 1.00 15.00 O ATOM 296 CB LEU A 253 0.744 1.172 3.828 1.00 15.00 C ATOM 297 CG LEU A 253 1.977 0.512 4.436 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.008 1.568 4.754 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.627 -0.267 5.692 1.00 15.00 C ATOM 0 H LEU A 253 -0.847 1.538 1.788 1.00 15.00 H new ATOM 0 HA LEU A 253 0.008 -0.805 3.366 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.065 1.799 2.996 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.305 1.834 4.575 1.00 15.00 H new ATOM 0 HG LEU A 253 2.382 -0.192 3.709 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.889 1.097 5.189 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.289 2.089 3.839 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.591 2.282 5.464 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.529 -0.725 6.099 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.197 0.409 6.431 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.904 -1.045 5.448 1.00 15.00 H new ATOM 311 N HIS A 254 -1.983 -0.757 4.793 1.00 15.00 N ATOM 312 CA HIS A 254 -3.001 -0.755 5.834 1.00 15.00 C ATOM 313 C HIS A 254 -2.492 -1.569 6.990 1.00 15.00 C ATOM 314 O HIS A 254 -2.670 -2.790 7.015 1.00 15.00 O ATOM 315 CB HIS A 254 -4.332 -1.344 5.333 1.00 15.00 C ATOM 316 CG HIS A 254 -5.355 -1.634 6.402 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.547 -2.891 6.938 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.247 -0.827 7.024 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.505 -2.841 7.848 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.951 -1.600 7.917 1.00 15.00 N ATOM 0 H HIS A 254 -1.628 -1.683 4.555 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.194 0.275 6.136 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.769 -0.650 4.615 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.121 -2.269 4.796 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.381 0.231 6.850 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.862 -3.674 8.435 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.695 -1.269 8.531 1.00 15.00 H new ATOM 329 N THR A 255 -1.811 -0.955 7.933 1.00 15.00 N ATOM 330 CA THR A 255 -1.332 -1.766 9.011 1.00 15.00 C ATOM 331 C THR A 255 -2.354 -1.796 10.137 1.00 15.00 C ATOM 332 O THR A 255 -2.379 -0.964 11.038 1.00 15.00 O ATOM 333 CB THR A 255 0.048 -1.272 9.518 1.00 15.00 C ATOM 334 OG1 THR A 255 0.433 -1.985 10.697 1.00 15.00 O ATOM 335 CG2 THR A 255 0.042 0.229 9.791 1.00 15.00 C ATOM 0 H THR A 255 -1.590 0.040 7.973 1.00 15.00 H new ATOM 0 HA THR A 255 -1.195 -2.782 8.642 1.00 15.00 H new ATOM 0 HB THR A 255 0.776 -1.467 8.730 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.306 -1.663 11.004 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.026 0.538 10.145 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.199 0.765 8.873 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.705 0.458 10.551 1.00 15.00 H new ATOM 343 N GLN A 256 -3.254 -2.752 10.003 1.00 15.00 N ATOM 344 CA GLN A 256 -3.913 -3.393 11.111 1.00 15.00 C ATOM 345 C GLN A 256 -3.224 -4.724 11.306 1.00 15.00 C ATOM 346 O GLN A 256 -2.807 -5.102 12.397 1.00 15.00 O ATOM 347 CB GLN A 256 -5.401 -3.582 10.825 1.00 15.00 C ATOM 348 CG GLN A 256 -6.211 -3.983 12.040 1.00 15.00 C ATOM 349 CD GLN A 256 -7.692 -4.079 11.746 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.204 -3.398 10.859 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.387 -4.910 12.501 1.00 15.00 N ATOM 0 H GLN A 256 -3.550 -3.109 9.095 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.847 -2.784 12.013 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.805 -2.653 10.421 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.519 -4.343 10.054 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.854 -4.945 12.409 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.049 -3.257 12.836 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.918 -5.455 13.225 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.393 -5.007 12.360 1.00 15.00 H new ATOM 360 N THR A 257 -3.143 -5.424 10.173 1.00 15.00 N ATOM 361 CA THR A 257 -2.513 -6.724 10.069 1.00 15.00 C ATOM 362 C THR A 257 -1.122 -6.622 9.551 1.00 15.00 C ATOM 363 O THR A 257 -0.286 -7.526 9.599 1.00 15.00 O ATOM 364 CB THR A 257 -3.364 -7.703 9.243 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.519 -7.195 7.909 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.742 -7.879 9.865 1.00 15.00 C ATOM 0 H THR A 257 -3.524 -5.088 9.288 1.00 15.00 H new ATOM 0 HA THR A 257 -2.447 -7.132 11.077 1.00 15.00 H new ATOM 0 HB THR A 257 -2.857 -8.668 9.225 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.060 -7.820 7.382 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.326 -8.576 9.264 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.637 -8.272 10.876 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.251 -6.916 9.901 1.00 15.00 H new ATOM 374 N GLY A 258 -0.963 -5.483 9.086 1.00 15.00 N ATOM 375 CA GLY A 258 0.201 -5.079 8.327 1.00 15.00 C ATOM 376 C GLY A 258 0.061 -5.363 6.842 1.00 15.00 C ATOM 377 O GLY A 258 0.687 -6.281 6.319 1.00 15.00 O ATOM 0 H GLY A 258 -1.648 -4.737 9.205 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.373 -4.013 8.474 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.078 -5.599 8.711 1.00 15.00 H new ATOM 381 N VAL A 259 -0.765 -4.576 6.161 1.00 15.00 N ATOM 382 CA VAL A 259 -0.905 -4.705 4.709 1.00 15.00 C ATOM 383 C VAL A 259 0.082 -3.832 3.959 1.00 15.00 C ATOM 384 O VAL A 259 0.171 -2.626 4.176 1.00 15.00 O ATOM 385 CB VAL A 259 -2.333 -4.376 4.196 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.358 -4.246 2.678 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.294 -5.461 4.622 1.00 15.00 C ATOM 0 H VAL A 259 -1.343 -3.849 6.582 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.697 -5.756 4.509 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.635 -3.422 4.629 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.371 -4.015 2.349 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.686 -3.445 2.370 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.035 -5.184 2.227 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.294 -5.224 4.259 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.973 -6.416 4.205 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.309 -5.527 5.710 1.00 15.00 H new ATOM 397 N SER A 260 0.818 -4.489 3.094 1.00 15.00 N ATOM 398 CA SER A 260 1.640 -3.841 2.084 1.00 15.00 C ATOM 399 C SER A 260 1.481 -4.623 0.788 1.00 15.00 C ATOM 400 O SER A 260 2.152 -5.631 0.566 1.00 15.00 O ATOM 401 CB SER A 260 3.113 -3.758 2.512 1.00 15.00 C ATOM 402 OG SER A 260 3.481 -4.885 3.297 1.00 15.00 O ATOM 0 H SER A 260 0.867 -5.507 3.067 1.00 15.00 H new ATOM 0 HA SER A 260 1.311 -2.811 1.946 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.749 -3.703 1.629 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.279 -2.844 3.082 1.00 15.00 H new ATOM 0 HG SER A 260 4.423 -4.810 3.556 1.00 15.00 H new ATOM 408 N THR A 261 0.535 -4.199 -0.030 1.00 15.00 N ATOM 409 CA THR A 261 0.104 -5.005 -1.154 1.00 15.00 C ATOM 410 C THR A 261 0.215 -4.257 -2.476 1.00 15.00 C ATOM 411 O THR A 261 0.127 -3.026 -2.528 1.00 15.00 O ATOM 412 CB THR A 261 -1.341 -5.517 -0.956 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.695 -6.426 -2.006 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.334 -4.365 -0.919 1.00 15.00 C ATOM 0 H THR A 261 0.053 -3.305 0.063 1.00 15.00 H new ATOM 0 HA THR A 261 0.778 -5.860 -1.197 1.00 15.00 H new ATOM 0 HB THR A 261 -1.381 -6.037 0.001 1.00 15.00 H new ATOM 0 HG1 THR A 261 -2.068 -7.245 -1.618 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.341 -4.757 -0.779 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.086 -3.697 -0.094 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.287 -3.814 -1.858 1.00 15.00 H new ATOM 422 N TRP A 262 0.446 -5.026 -3.533 1.00 15.00 N ATOM 423 CA TRP A 262 0.560 -4.490 -4.880 1.00 15.00 C ATOM 424 C TRP A 262 -0.794 -4.111 -5.465 1.00 15.00 C ATOM 425 O TRP A 262 -0.872 -3.289 -6.380 1.00 15.00 O ATOM 426 CB TRP A 262 1.214 -5.512 -5.803 1.00 15.00 C ATOM 427 CG TRP A 262 2.700 -5.586 -5.690 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.460 -6.663 -5.339 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.610 -4.522 -5.853 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.768 -6.373 -5.408 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.894 -5.074 -5.693 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.491 -3.165 -6.146 1.00 15.00 C ATOM 433 CZ2 TRP A 262 6.021 -4.338 -5.808 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.643 -2.430 -6.219 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.876 -3.043 -6.049 1.00 15.00 C ATOM 0 H TRP A 262 0.559 -6.038 -3.479 1.00 15.00 H new ATOM 0 HA TRP A 262 1.173 -3.591 -4.808 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.797 -6.496 -5.589 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.952 -5.272 -6.834 1.00 15.00 H new ATOM 0 HD1 TRP A 262 3.061 -7.623 -5.044 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.534 -7.031 -5.267 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.525 -2.710 -6.309 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.999 -4.786 -5.708 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.592 -1.368 -6.410 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.764 -2.433 -6.117 1.00 15.00 H new ATOM 446 N HIS A 263 -1.854 -4.740 -4.987 1.00 15.00 N ATOM 447 CA HIS A 263 -3.170 -4.493 -5.557 1.00 15.00 C ATOM 448 C HIS A 263 -3.884 -3.394 -4.785 1.00 15.00 C ATOM 449 O HIS A 263 -3.783 -3.318 -3.560 1.00 15.00 O ATOM 450 CB HIS A 263 -4.021 -5.777 -5.587 1.00 15.00 C ATOM 451 CG HIS A 263 -4.736 -6.102 -4.307 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.996 -5.627 -4.010 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.370 -6.866 -3.251 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.368 -6.086 -2.830 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.402 -6.843 -2.348 1.00 15.00 N ATOM 0 H HIS A 263 -1.833 -5.413 -4.221 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.032 -4.164 -6.587 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.759 -5.685 -6.383 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.375 -6.616 -5.846 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.553 -5.017 -4.608 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.436 -7.397 -3.140 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.308 -5.876 -2.340 1.00 15.00 H new ATOM 464 N ASP A 264 -4.613 -2.557 -5.502 1.00 15.00 N ATOM 465 CA ASP A 264 -5.425 -1.528 -4.874 1.00 15.00 C ATOM 466 C ASP A 264 -6.476 -2.207 -3.995 1.00 15.00 C ATOM 467 O ASP A 264 -7.094 -3.187 -4.401 1.00 15.00 O ATOM 468 CB ASP A 264 -6.075 -0.654 -5.957 1.00 15.00 C ATOM 469 CG ASP A 264 -6.795 0.565 -5.411 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.734 0.399 -4.611 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.428 1.699 -5.799 1.00 15.00 O ATOM 0 H ASP A 264 -4.660 -2.569 -6.521 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.811 -0.880 -4.249 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.306 -0.327 -6.656 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.783 -1.260 -6.522 1.00 15.00 H new ATOM 476 N PRO A 265 -6.672 -1.734 -2.768 1.00 15.00 N ATOM 477 CA PRO A 265 -7.563 -2.385 -1.825 1.00 15.00 C ATOM 478 C PRO A 265 -9.021 -2.032 -2.028 1.00 15.00 C ATOM 479 O PRO A 265 -9.912 -2.665 -1.458 1.00 15.00 O ATOM 480 CB PRO A 265 -7.054 -1.904 -0.481 1.00 15.00 C ATOM 481 CG PRO A 265 -6.475 -0.553 -0.750 1.00 15.00 C ATOM 482 CD PRO A 265 -6.035 -0.539 -2.191 1.00 15.00 C ATOM 0 HA PRO A 265 -7.548 -3.469 -1.937 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.860 -1.850 0.250 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.303 -2.583 -0.077 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.214 0.227 -0.565 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.632 -0.356 -0.088 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.358 0.370 -2.698 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.949 -0.584 -2.278 1.00 15.00 H new ATOM 490 N ARG A 266 -9.261 -0.995 -2.797 1.00 15.00 N ATOM 491 CA ARG A 266 -10.609 -0.617 -3.168 1.00 15.00 C ATOM 492 C ARG A 266 -11.079 -1.526 -4.282 1.00 15.00 C ATOM 493 O ARG A 266 -12.236 -1.496 -4.706 1.00 15.00 O ATOM 494 CB ARG A 266 -10.605 0.819 -3.629 1.00 15.00 C ATOM 495 CG ARG A 266 -11.979 1.457 -3.691 1.00 15.00 C ATOM 496 CD ARG A 266 -12.619 1.534 -2.318 1.00 15.00 C ATOM 497 NE ARG A 266 -13.766 2.436 -2.293 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.823 2.275 -1.502 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.948 1.174 -0.761 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.771 3.202 -1.484 1.00 15.00 N ATOM 0 H ARG A 266 -8.534 -0.392 -3.182 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.283 -0.715 -2.317 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -9.976 1.403 -2.957 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.148 0.870 -4.617 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.897 2.459 -4.112 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.619 0.881 -4.360 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.936 0.537 -2.011 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -11.879 1.871 -1.592 1.00 15.00 H new ATOM 0 HE ARG A 266 -13.756 3.240 -2.921 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.231 0.450 -0.799 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.761 1.056 -0.156 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -15.686 4.030 -2.074 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.585 3.087 -0.881 1.00 15.00 H new ATOM 514 N ILE A 267 -10.140 -2.317 -4.755 1.00 15.00 N ATOM 515 CA ILE A 267 -10.409 -3.310 -5.788 1.00 15.00 C ATOM 516 C ILE A 267 -11.192 -4.473 -5.190 1.00 15.00 C ATOM 517 O ILE A 267 -10.618 -5.215 -4.365 1.00 15.00 O ATOM 518 CB ILE A 267 -9.110 -3.856 -6.432 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.245 -2.715 -6.981 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.439 -4.857 -7.534 1.00 15.00 C ATOM 521 CD1 ILE A 267 -8.928 -1.870 -8.033 1.00 15.00 C ATOM 522 OXT ILE A 267 -12.377 -4.639 -5.537 1.00 15.00 O ATOM 0 H ILE A 267 -9.170 -2.295 -4.440 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.989 -2.816 -6.568 1.00 15.00 H new ATOM 0 HB ILE A 267 -8.539 -4.368 -5.658 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.944 -2.072 -6.154 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.334 -3.137 -7.405 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -8.514 -5.230 -7.975 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -10.002 -5.690 -7.113 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.036 -4.368 -8.303 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -8.248 -1.087 -8.368 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -9.205 -2.497 -8.880 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -9.824 -1.416 -7.610 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.391 3.466 12.660 1.00 15.00 N ATOM 536 CA SER B 210 7.563 4.170 11.653 1.00 15.00 C ATOM 537 C SER B 210 8.039 3.855 10.238 1.00 15.00 C ATOM 538 O SER B 210 7.650 4.518 9.277 1.00 15.00 O ATOM 539 CB SER B 210 7.639 5.673 11.910 1.00 15.00 C ATOM 540 OG SER B 210 7.284 5.967 13.251 1.00 15.00 O ATOM 0 HA SER B 210 6.531 3.830 11.742 1.00 15.00 H new ATOM 0 HB2 SER B 210 8.648 6.032 11.708 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.971 6.199 11.227 1.00 15.00 H new ATOM 0 HG SER B 210 7.577 5.236 13.835 1.00 15.00 H new ATOM 548 N ASP B 211 8.852 2.817 10.109 1.00 15.00 N ATOM 549 CA ASP B 211 9.412 2.447 8.820 1.00 15.00 C ATOM 550 C ASP B 211 8.653 1.261 8.236 1.00 15.00 C ATOM 551 O ASP B 211 8.685 0.162 8.789 1.00 15.00 O ATOM 552 CB ASP B 211 10.895 2.111 8.978 1.00 15.00 C ATOM 553 CG ASP B 211 11.599 1.917 7.653 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.667 2.885 6.868 1.00 15.00 O ATOM 555 OD2 ASP B 211 12.118 0.810 7.406 1.00 15.00 O1- ATOM 0 H ASP B 211 9.138 2.216 10.882 1.00 15.00 H new ATOM 0 HA ASP B 211 9.314 3.288 8.133 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.387 2.911 9.531 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.995 1.203 9.573 1.00 15.00 H new ATOM 560 N PRO B 212 7.946 1.475 7.120 1.00 15.00 N ATOM 561 CA PRO B 212 7.105 0.463 6.496 1.00 15.00 C ATOM 562 C PRO B 212 7.854 -0.382 5.475 1.00 15.00 C ATOM 563 O PRO B 212 8.891 0.025 4.946 1.00 15.00 O ATOM 564 CB PRO B 212 6.025 1.292 5.792 1.00 15.00 C ATOM 565 CG PRO B 212 6.452 2.724 5.885 1.00 15.00 C ATOM 566 CD PRO B 212 7.870 2.733 6.382 1.00 15.00 C ATOM 0 HA PRO B 212 6.724 -0.248 7.229 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.920 0.986 4.751 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.055 1.146 6.266 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.382 3.210 4.912 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.803 3.276 6.565 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.588 2.769 5.563 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.072 3.593 7.021 1.00 15.00 H new ATOM 574 N GLY B 213 7.300 -1.547 5.176 1.00 15.00 N ATOM 575 CA GLY B 213 7.936 -2.455 4.251 1.00 15.00 C ATOM 576 C GLY B 213 7.503 -2.222 2.820 1.00 15.00 C ATOM 577 O GLY B 213 6.357 -1.857 2.553 1.00 15.00 O ATOM 0 H GLY B 213 6.416 -1.879 5.561 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.018 -2.343 4.323 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.702 -3.481 4.535 1.00 15.00 H new HETATM 581 N SEP B 214 8.436 -2.429 1.910 1.00 15.00 N HETATM 582 CA SEP B 214 8.201 -2.265 0.489 1.00 15.00 C HETATM 583 CB SEP B 214 9.447 -1.701 -0.209 1.00 15.00 C HETATM 584 OG SEP B 214 10.632 -2.316 0.253 1.00 15.00 O HETATM 585 C SEP B 214 7.771 -3.582 -0.158 1.00 15.00 C HETATM 586 O SEP B 214 8.010 -4.666 0.378 1.00 15.00 O HETATM 587 P SEP B 214 12.100 -1.904 -0.294 1.00 15.00 P HETATM 588 O1P SEP B 214 12.143 -2.149 -1.740 1.00 15.00 O HETATM 589 O2P SEP B 214 13.105 -2.723 0.397 1.00 15.00 O HETATM 590 O3P SEP B 214 12.321 -0.479 -0.008 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.358 -1.847 -1.285 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.505 -0.626 -0.037 1.00 15.00 H new HETATM 0 HA SEP B 214 7.387 -1.551 0.368 1.00 15.00 H new HETATM 0 H SEP B 214 9.340 -2.178 2.310 1.00 15.00 H new ATOM 595 N PRO B 215 7.155 -3.484 -1.340 1.00 15.00 N ATOM 596 CA PRO B 215 6.687 -4.642 -2.104 1.00 15.00 C ATOM 597 C PRO B 215 7.786 -5.172 -3.021 1.00 15.00 C ATOM 598 O PRO B 215 8.524 -4.394 -3.631 1.00 15.00 O ATOM 599 CB PRO B 215 5.644 -4.041 -3.050 1.00 15.00 C ATOM 600 CG PRO B 215 5.530 -2.599 -2.727 1.00 15.00 C ATOM 601 CD PRO B 215 6.745 -2.223 -1.945 1.00 15.00 C ATOM 0 HA PRO B 215 6.346 -5.437 -1.441 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.944 -4.179 -4.089 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.682 -4.539 -2.927 1.00 15.00 H new ATOM 0 HG2 PRO B 215 5.460 -2.005 -3.638 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.626 -2.405 -2.150 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.525 -1.811 -2.586 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.521 -1.469 -1.191 1.00 15.00 H new ATOM 609 N PHE B 216 7.891 -6.489 -3.129 1.00 15.00 N ATOM 610 CA PHE B 216 8.923 -7.095 -3.959 1.00 15.00 C ATOM 611 C PHE B 216 8.322 -7.757 -5.194 1.00 15.00 C ATOM 612 O PHE B 216 7.754 -8.844 -5.099 1.00 15.00 O ATOM 613 CB PHE B 216 9.726 -8.125 -3.160 1.00 15.00 C ATOM 614 CG PHE B 216 10.433 -7.550 -1.967 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.617 -6.847 -2.120 1.00 15.00 C ATOM 616 CD2 PHE B 216 9.914 -7.711 -0.691 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.270 -6.318 -1.026 1.00 15.00 C ATOM 618 CE2 PHE B 216 10.564 -7.183 0.406 1.00 15.00 C ATOM 619 CZ PHE B 216 11.743 -6.485 0.239 1.00 15.00 C ATOM 0 H PHE B 216 7.279 -7.154 -2.656 1.00 15.00 H new ATOM 0 HA PHE B 216 9.591 -6.297 -4.284 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.054 -8.916 -2.826 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.461 -8.588 -3.818 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.034 -6.712 -3.107 1.00 15.00 H new ATOM 0 HD2 PHE B 216 8.991 -8.255 -0.554 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.193 -5.773 -1.159 1.00 15.00 H new ATOM 0 HE2 PHE B 216 10.150 -7.316 1.395 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.252 -6.070 1.096 1.00 15.00 H new ATOM 629 N GLN B 217 8.418 -7.059 -6.327 1.00 15.00 N ATOM 630 CA GLN B 217 8.010 -7.580 -7.638 1.00 15.00 C ATOM 631 C GLN B 217 6.553 -8.039 -7.656 1.00 15.00 C ATOM 632 O GLN B 217 6.286 -9.209 -7.305 1.00 15.00 O ATOM 633 CB GLN B 217 8.928 -8.724 -8.077 1.00 15.00 C ATOM 634 CG GLN B 217 10.405 -8.358 -8.056 1.00 15.00 C ATOM 635 CD GLN B 217 10.729 -7.135 -8.896 1.00 15.00 C ATOM 636 OE1 GLN B 217 11.634 -6.369 -8.565 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.009 -6.946 -9.991 1.00 15.00 N ATOM 638 OXT GLN B 217 5.683 -7.230 -8.032 1.00 15.00 O ATOM 0 H GLN B 217 8.784 -6.108 -6.363 1.00 15.00 H new ATOM 0 HA GLN B 217 8.101 -6.755 -8.345 1.00 15.00 H new ATOM 0 HB2 GLN B 217 8.765 -9.581 -7.424 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.653 -9.034 -9.085 1.00 15.00 H new ATOM 0 HG2 GLN B 217 10.713 -8.176 -7.026 1.00 15.00 H new ATOM 0 HG3 GLN B 217 10.988 -9.205 -8.418 1.00 15.00 H new ATOM 0 HE21 GLN B 217 9.267 -7.603 -10.233 1.00 15.00 H new ATOM 0 HE22 GLN B 217 10.197 -6.144 -10.593 1.00 15.00 H new TER 647 GLN B 217