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 140:sc= -0.493 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.27 X(o=-0.76,f=-1.2!) USER MOD Set 2.1: A 242 GLN : amide:sc= 0.324 X(o=0.72,f=0.43) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= 0.397 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 140:sc= -0.432! USER MOD Single : A 247 GLN : amide:sc= -0.371 K(o=-0.37,f=-3.7!) USER MOD Single : A 249 GLN : amide:sc= -1.61! C(o=-1.6!,f=-3.5!) USER MOD Single : A 251 TYR OH : rot 180:sc= -0.776 USER MOD Single : A 254 HIS : no HD1:sc= -4.75! K(o=-4.7!,f=-0.88) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 256 GLN : amide:sc= -0.829 K(o=-0.83,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 47:sc= 0.0619 USER MOD Single : B 210 SER OG : rot -26:sc= 0.452 USER MOD Single : B 217 GLN : amide:sc= -1.01 K(o=-1,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -9.252 6.578 -4.306 1.00 15.00 N ATOM 2 CA GLU A 235 -10.273 6.498 -3.237 1.00 15.00 C ATOM 3 C GLU A 235 -10.270 5.108 -2.621 1.00 15.00 C ATOM 4 O GLU A 235 -10.568 4.124 -3.294 1.00 15.00 O ATOM 5 CB GLU A 235 -11.671 6.825 -3.778 1.00 15.00 C ATOM 6 CG GLU A 235 -11.846 8.273 -4.217 1.00 15.00 C ATOM 7 CD GLU A 235 -11.143 8.588 -5.521 1.00 15.00 C ATOM 8 OE1 GLU A 235 -9.909 8.771 -5.508 1.00 15.00 O ATOM 9 OE2 GLU A 235 -11.823 8.639 -6.564 1.00 15.00 O1- ATOM 0 HA GLU A 235 -10.023 7.235 -2.474 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.883 6.172 -4.625 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.409 6.598 -3.008 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -12.909 8.488 -4.323 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -11.464 8.932 -3.437 1.00 15.00 H new ATOM 18 N LEU A 236 -9.923 5.028 -1.348 1.00 15.00 N ATOM 19 CA LEU A 236 -9.814 3.748 -0.663 1.00 15.00 C ATOM 20 C LEU A 236 -10.734 3.704 0.542 1.00 15.00 C ATOM 21 O LEU A 236 -11.324 4.715 0.923 1.00 15.00 O ATOM 22 CB LEU A 236 -8.376 3.496 -0.164 1.00 15.00 C ATOM 23 CG LEU A 236 -7.269 3.467 -1.221 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.701 2.643 -2.411 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.867 4.872 -1.645 1.00 15.00 C ATOM 0 H LEU A 236 -9.711 5.837 -0.764 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.094 2.981 -1.386 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.129 4.269 0.564 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.363 2.544 0.366 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.390 2.999 -0.777 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.904 2.631 -3.154 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.912 1.623 -2.090 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.599 3.079 -2.849 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.079 4.814 -2.396 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.731 5.387 -2.065 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.502 5.423 -0.778 1.00 15.00 H new ATOM 37 N PRO A 237 -10.865 2.519 1.152 1.00 15.00 N ATOM 38 CA PRO A 237 -11.362 2.406 2.516 1.00 15.00 C ATOM 39 C PRO A 237 -10.331 2.964 3.472 1.00 15.00 C ATOM 40 O PRO A 237 -9.164 3.148 3.124 1.00 15.00 O ATOM 41 CB PRO A 237 -11.542 0.897 2.734 1.00 15.00 C ATOM 42 CG PRO A 237 -11.437 0.270 1.381 1.00 15.00 C ATOM 43 CD PRO A 237 -10.618 1.206 0.538 1.00 15.00 C ATOM 0 HA PRO A 237 -12.289 2.955 2.683 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.778 0.506 3.406 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.508 0.681 3.190 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -10.964 -0.710 1.444 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.425 0.120 0.946 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.560 0.945 0.559 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.931 1.185 -0.506 1.00 15.00 H new ATOM 51 N GLU A 238 -10.768 3.217 4.671 1.00 15.00 N ATOM 52 CA GLU A 238 -9.961 3.949 5.634 1.00 15.00 C ATOM 53 C GLU A 238 -8.754 3.164 6.130 1.00 15.00 C ATOM 54 O GLU A 238 -8.813 1.955 6.362 1.00 15.00 O ATOM 55 CB GLU A 238 -10.815 4.358 6.824 1.00 15.00 C ATOM 56 CG GLU A 238 -11.648 5.591 6.568 1.00 15.00 C ATOM 57 CD GLU A 238 -10.799 6.813 6.308 1.00 15.00 C ATOM 58 OE1 GLU A 238 -10.454 7.075 5.138 1.00 15.00 O ATOM 59 OE2 GLU A 238 -10.467 7.518 7.283 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.683 2.930 5.018 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.582 4.827 5.112 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.474 3.532 7.090 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.167 4.538 7.682 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -12.300 5.415 5.712 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.293 5.776 7.427 1.00 15.00 H new ATOM 66 N GLY A 239 -7.670 3.900 6.318 1.00 15.00 N ATOM 67 CA GLY A 239 -6.463 3.346 6.907 1.00 15.00 C ATOM 68 C GLY A 239 -5.368 2.972 5.912 1.00 15.00 C ATOM 69 O GLY A 239 -4.299 2.520 6.325 1.00 15.00 O ATOM 0 H GLY A 239 -7.602 4.887 6.070 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.058 4.070 7.614 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -6.731 2.458 7.479 1.00 15.00 H new ATOM 73 N TYR A 240 -5.602 3.143 4.616 1.00 15.00 N ATOM 74 CA TYR A 240 -4.577 2.783 3.631 1.00 15.00 C ATOM 75 C TYR A 240 -3.625 3.937 3.372 1.00 15.00 C ATOM 76 O TYR A 240 -4.033 5.034 2.993 1.00 15.00 O ATOM 77 CB TYR A 240 -5.187 2.317 2.298 1.00 15.00 C ATOM 78 CG TYR A 240 -5.959 1.029 2.411 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.298 -0.172 2.595 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.343 1.013 2.367 1.00 15.00 C ATOM 81 CE1 TYR A 240 -5.993 -1.356 2.732 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.047 -0.162 2.511 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.369 -1.345 2.695 1.00 15.00 C ATOM 84 OH TYR A 240 -8.065 -2.522 2.845 1.00 15.00 O ATOM 0 H TYR A 240 -6.466 3.518 4.225 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.022 1.951 4.064 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -5.848 3.096 1.918 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.389 2.191 1.566 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.219 -0.183 2.632 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -7.880 1.938 2.217 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.461 -2.286 2.867 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.127 -0.155 2.480 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.027 -2.342 2.796 1.00 15.00 H new ATOM 94 N GLU A 241 -2.351 3.675 3.577 1.00 15.00 N ATOM 95 CA GLU A 241 -1.312 4.620 3.241 1.00 15.00 C ATOM 96 C GLU A 241 -0.753 4.282 1.867 1.00 15.00 C ATOM 97 O GLU A 241 -0.178 3.209 1.669 1.00 15.00 O ATOM 98 CB GLU A 241 -0.194 4.580 4.286 1.00 15.00 C ATOM 99 CG GLU A 241 0.942 5.547 3.998 1.00 15.00 C ATOM 100 CD GLU A 241 0.528 6.996 4.142 1.00 15.00 C ATOM 101 OE1 GLU A 241 -0.274 7.482 3.315 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.005 7.657 5.087 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.009 2.803 3.980 1.00 15.00 H new ATOM 0 HA GLU A 241 -1.733 5.625 3.227 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.615 4.808 5.265 1.00 15.00 H new ATOM 0 HB3 GLU A 241 0.206 3.568 4.339 1.00 15.00 H new ATOM 0 HG2 GLU A 241 1.770 5.341 4.677 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.310 5.378 2.986 1.00 15.00 H new ATOM 109 N GLN A 242 -0.951 5.173 0.912 1.00 15.00 N ATOM 110 CA GLN A 242 -0.387 4.979 -0.408 1.00 15.00 C ATOM 111 C GLN A 242 0.985 5.612 -0.450 1.00 15.00 C ATOM 112 O GLN A 242 1.123 6.831 -0.549 1.00 15.00 O ATOM 113 CB GLN A 242 -1.304 5.561 -1.490 1.00 15.00 C ATOM 114 CG GLN A 242 -0.923 5.183 -2.922 1.00 15.00 C ATOM 115 CD GLN A 242 -0.026 6.203 -3.606 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.511 7.150 -4.225 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.280 6.001 -3.532 1.00 15.00 N ATOM 0 H GLN A 242 -1.493 6.030 1.025 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.296 3.912 -0.611 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.324 5.228 -1.300 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.302 6.648 -1.403 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.418 4.217 -2.911 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.833 5.060 -3.510 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.644 5.204 -3.009 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.922 6.642 -3.998 1.00 15.00 H new ATOM 126 N ARG A 243 1.997 4.783 -0.304 1.00 15.00 N ATOM 127 CA ARG A 243 3.365 5.254 -0.337 1.00 15.00 C ATOM 128 C ARG A 243 3.939 5.207 -1.726 1.00 15.00 C ATOM 129 O ARG A 243 3.597 4.344 -2.540 1.00 15.00 O ATOM 130 CB ARG A 243 4.267 4.481 0.611 1.00 15.00 C ATOM 131 CG ARG A 243 4.339 5.078 1.993 1.00 15.00 C ATOM 132 CD ARG A 243 5.340 4.327 2.847 1.00 15.00 C ATOM 133 NE ARG A 243 5.538 4.935 4.155 1.00 15.00 N ATOM 134 CZ ARG A 243 6.730 5.055 4.746 1.00 15.00 C ATOM 135 NH1 ARG A 243 7.809 4.495 4.204 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 6.838 5.703 5.899 1.00 15.00 N ATOM 0 H ARG A 243 1.898 3.778 -0.161 1.00 15.00 H new ATOM 0 HA ARG A 243 3.329 6.291 -0.005 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.908 3.455 0.686 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.271 4.438 0.190 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.624 6.128 1.927 1.00 15.00 H new ATOM 0 HG3 ARG A 243 3.355 5.044 2.461 1.00 15.00 H new ATOM 0 HD2 ARG A 243 5.000 3.300 2.977 1.00 15.00 H new ATOM 0 HD3 ARG A 243 6.295 4.283 2.324 1.00 15.00 H new ATOM 0 HE ARG A 243 4.719 5.290 4.649 1.00 15.00 H new ATOM 0 HH11 ARG A 243 7.728 3.971 3.333 1.00 15.00 H new ATOM 0 HH12 ARG A 243 8.716 4.590 4.660 1.00 15.00 H new ATOM 0 HH21 ARG A 243 6.010 6.110 6.335 1.00 15.00 H new ATOM 0 HH22 ARG A 243 7.749 5.794 6.349 1.00 15.00 H new ATOM 150 N THR A 244 4.840 6.126 -1.953 1.00 15.00 N ATOM 151 CA THR A 244 5.507 6.262 -3.232 1.00 15.00 C ATOM 152 C THR A 244 7.012 6.264 -3.014 1.00 15.00 C ATOM 153 O THR A 244 7.618 7.300 -2.748 1.00 15.00 O ATOM 154 CB THR A 244 5.082 7.549 -3.965 1.00 15.00 C ATOM 155 OG1 THR A 244 3.659 7.712 -3.874 1.00 15.00 O ATOM 156 CG2 THR A 244 5.492 7.498 -5.430 1.00 15.00 C ATOM 0 H THR A 244 5.137 6.808 -1.255 1.00 15.00 H new ATOM 0 HA THR A 244 5.219 5.417 -3.858 1.00 15.00 H new ATOM 0 HB THR A 244 5.581 8.394 -3.491 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.393 8.532 -4.340 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.181 8.417 -5.927 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.575 7.395 -5.501 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.014 6.645 -5.912 1.00 15.00 H new ATOM 164 N THR A 245 7.592 5.083 -3.092 1.00 15.00 N ATOM 165 CA THR A 245 8.999 4.894 -2.798 1.00 15.00 C ATOM 166 C THR A 245 9.843 5.069 -4.049 1.00 15.00 C ATOM 167 O THR A 245 9.373 4.830 -5.165 1.00 15.00 O ATOM 168 CB THR A 245 9.268 3.504 -2.183 1.00 15.00 C ATOM 169 OG1 THR A 245 10.675 3.309 -1.995 1.00 15.00 O ATOM 170 CG2 THR A 245 8.704 2.401 -3.073 1.00 15.00 C ATOM 0 H THR A 245 7.103 4.229 -3.360 1.00 15.00 H new ATOM 0 HA THR A 245 9.278 5.655 -2.069 1.00 15.00 H new ATOM 0 HB THR A 245 8.770 3.457 -1.215 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.831 2.856 -1.140 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.905 1.430 -2.620 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.628 2.535 -3.181 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.176 2.448 -4.054 1.00 15.00 H new ATOM 178 N VAL A 246 11.080 5.519 -3.846 1.00 15.00 N ATOM 179 CA VAL A 246 12.062 5.692 -4.920 1.00 15.00 C ATOM 180 C VAL A 246 12.174 4.458 -5.820 1.00 15.00 C ATOM 181 O VAL A 246 12.674 4.541 -6.943 1.00 15.00 O ATOM 182 CB VAL A 246 13.454 5.995 -4.340 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.503 7.401 -3.767 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.832 4.973 -3.276 1.00 15.00 C ATOM 0 H VAL A 246 11.434 5.776 -2.925 1.00 15.00 H new ATOM 0 HA VAL A 246 11.707 6.529 -5.521 1.00 15.00 H new ATOM 0 HB VAL A 246 14.179 5.928 -5.151 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.496 7.594 -3.362 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.285 8.123 -4.554 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.763 7.496 -2.973 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.820 5.208 -2.881 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.101 5.002 -2.468 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.845 3.976 -3.717 1.00 15.00 H new ATOM 194 N GLN A 247 11.733 3.317 -5.303 1.00 15.00 N ATOM 195 CA GLN A 247 11.677 2.070 -6.067 1.00 15.00 C ATOM 196 C GLN A 247 10.794 2.224 -7.314 1.00 15.00 C ATOM 197 O GLN A 247 10.867 1.420 -8.243 1.00 15.00 O ATOM 198 CB GLN A 247 11.124 0.936 -5.195 1.00 15.00 C ATOM 199 CG GLN A 247 11.710 0.884 -3.792 1.00 15.00 C ATOM 200 CD GLN A 247 13.210 0.668 -3.775 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.990 1.617 -3.853 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.624 -0.581 -3.640 1.00 15.00 N ATOM 0 H GLN A 247 11.403 3.227 -4.342 1.00 15.00 H new ATOM 0 HA GLN A 247 12.692 1.829 -6.382 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.042 1.045 -5.121 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.315 -0.015 -5.692 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.478 1.815 -3.275 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.228 0.081 -3.234 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.945 -1.340 -3.579 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.622 -0.786 -3.597 1.00 15.00 H new ATOM 211 N GLY A 248 9.932 3.240 -7.306 1.00 15.00 N ATOM 212 CA GLY A 248 9.083 3.519 -8.452 1.00 15.00 C ATOM 213 C GLY A 248 7.798 2.716 -8.435 1.00 15.00 C ATOM 214 O GLY A 248 7.198 2.465 -9.483 1.00 15.00 O ATOM 0 H GLY A 248 9.807 3.878 -6.520 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.843 4.582 -8.471 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.632 3.300 -9.368 1.00 15.00 H new ATOM 218 N GLN A 249 7.357 2.324 -7.247 1.00 15.00 N ATOM 219 CA GLN A 249 6.199 1.448 -7.119 1.00 15.00 C ATOM 220 C GLN A 249 5.161 2.051 -6.185 1.00 15.00 C ATOM 221 O GLN A 249 5.489 2.508 -5.089 1.00 15.00 O ATOM 222 CB GLN A 249 6.618 0.079 -6.573 1.00 15.00 C ATOM 223 CG GLN A 249 8.108 -0.165 -6.637 1.00 15.00 C ATOM 224 CD GLN A 249 8.511 -1.546 -6.170 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.604 -2.477 -6.963 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.752 -1.688 -4.877 1.00 15.00 N ATOM 0 H GLN A 249 7.782 2.597 -6.361 1.00 15.00 H new ATOM 0 HA GLN A 249 5.765 1.331 -8.112 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.288 -0.007 -5.538 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.106 -0.701 -7.137 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.448 -0.023 -7.663 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.617 0.580 -6.026 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.663 -0.888 -4.251 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.027 -2.598 -4.506 1.00 15.00 H new ATOM 235 N VAL A 250 3.909 2.014 -6.615 1.00 15.00 N ATOM 236 CA VAL A 250 2.797 2.417 -5.767 1.00 15.00 C ATOM 237 C VAL A 250 2.283 1.209 -4.992 1.00 15.00 C ATOM 238 O VAL A 250 1.665 0.303 -5.555 1.00 15.00 O ATOM 239 CB VAL A 250 1.638 3.055 -6.574 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.981 4.484 -6.964 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.318 2.231 -7.817 1.00 15.00 C ATOM 0 H VAL A 250 3.637 1.708 -7.549 1.00 15.00 H new ATOM 0 HA VAL A 250 3.168 3.177 -5.079 1.00 15.00 H new ATOM 0 HB VAL A 250 0.754 3.069 -5.937 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.155 4.915 -7.530 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.152 5.075 -6.065 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.882 4.487 -7.578 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.501 2.701 -8.365 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.200 2.178 -8.455 1.00 15.00 H new ATOM 0 HG23 VAL A 250 1.024 1.224 -7.520 1.00 15.00 H new ATOM 251 N TYR A 251 2.570 1.185 -3.705 1.00 15.00 N ATOM 252 CA TYR A 251 2.262 0.026 -2.888 1.00 15.00 C ATOM 253 C TYR A 251 1.296 0.418 -1.767 1.00 15.00 C ATOM 254 O TYR A 251 1.497 1.425 -1.083 1.00 15.00 O ATOM 255 CB TYR A 251 3.597 -0.595 -2.402 1.00 15.00 C ATOM 256 CG TYR A 251 4.403 0.195 -1.374 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.977 0.330 -0.055 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.634 0.755 -1.718 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.742 1.002 0.878 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.401 1.413 -0.786 1.00 15.00 C ATOM 261 CZ TYR A 251 5.953 1.539 0.505 1.00 15.00 C ATOM 262 OH TYR A 251 6.733 2.184 1.434 1.00 15.00 O ATOM 0 H TYR A 251 3.015 1.953 -3.203 1.00 15.00 H new ATOM 0 HA TYR A 251 1.741 -0.745 -3.456 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.379 -1.575 -1.978 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.230 -0.758 -3.274 1.00 15.00 H new ATOM 0 HD1 TYR A 251 3.032 -0.098 0.244 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.990 0.670 -2.734 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.392 1.106 1.894 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.356 1.831 -1.070 1.00 15.00 H new ATOM 0 HH TYR A 251 7.555 2.503 1.006 1.00 15.00 H new ATOM 272 N PHE A 252 0.226 -0.357 -1.616 1.00 15.00 N ATOM 273 CA PHE A 252 -0.822 -0.036 -0.651 1.00 15.00 C ATOM 274 C PHE A 252 -0.529 -0.663 0.686 1.00 15.00 C ATOM 275 O PHE A 252 -0.374 -1.880 0.795 1.00 15.00 O ATOM 276 CB PHE A 252 -2.189 -0.499 -1.155 1.00 15.00 C ATOM 277 CG PHE A 252 -2.703 0.358 -2.280 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.817 1.731 -2.113 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.032 -0.191 -3.516 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.254 2.534 -3.149 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.458 0.611 -4.552 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.569 1.975 -4.370 1.00 15.00 C ATOM 0 H PHE A 252 0.061 -1.211 -2.149 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.843 1.047 -0.533 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.118 -1.533 -1.492 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.903 -0.480 -0.331 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.561 2.177 -1.163 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.952 -1.258 -3.665 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.349 3.600 -3.003 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.705 0.172 -5.507 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.902 2.604 -5.183 1.00 15.00 H new ATOM 292 N LEU A 253 -0.463 0.172 1.706 1.00 15.00 N ATOM 293 CA LEU A 253 -0.096 -0.294 3.016 1.00 15.00 C ATOM 294 C LEU A 253 -1.100 0.156 4.072 1.00 15.00 C ATOM 295 O LEU A 253 -1.277 1.344 4.321 1.00 15.00 O ATOM 296 CB LEU A 253 1.310 0.191 3.348 1.00 15.00 C ATOM 297 CG LEU A 253 2.083 -0.704 4.308 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.557 -0.638 4.012 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.816 -0.309 5.745 1.00 15.00 C ATOM 0 H LEU A 253 -0.659 1.171 1.646 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.107 -1.384 3.017 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.877 0.281 2.421 1.00 15.00 H new ATOM 0 HB3 LEU A 253 1.243 1.190 3.779 1.00 15.00 H new ATOM 0 HG LEU A 253 1.743 -1.730 4.168 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.097 -1.283 4.706 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.738 -0.972 2.990 1.00 15.00 H new ATOM 0 HD13 LEU A 253 3.905 0.389 4.125 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.379 -0.962 6.412 1.00 15.00 H new ATOM 0 HD22 LEU A 253 2.126 0.724 5.902 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.751 -0.405 5.957 1.00 15.00 H new ATOM 311 N HIS A 254 -1.766 -0.816 4.672 1.00 15.00 N ATOM 312 CA HIS A 254 -2.682 -0.580 5.778 1.00 15.00 C ATOM 313 C HIS A 254 -2.253 -1.423 6.949 1.00 15.00 C ATOM 314 O HIS A 254 -2.633 -2.593 7.040 1.00 15.00 O ATOM 315 CB HIS A 254 -4.123 -0.957 5.395 1.00 15.00 C ATOM 316 CG HIS A 254 -5.106 -0.992 6.538 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.511 -2.163 7.147 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.769 -0.002 7.174 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.371 -1.885 8.106 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.549 -0.581 8.143 1.00 15.00 N ATOM 0 H HIS A 254 -1.687 -1.797 4.405 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.657 0.480 6.031 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.481 -0.246 4.651 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.110 -1.937 4.919 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.698 1.054 6.959 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.849 -2.606 8.753 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.165 -0.083 8.786 1.00 15.00 H new ATOM 329 N THR A 255 -1.443 -0.896 7.836 1.00 15.00 N ATOM 330 CA THR A 255 -1.063 -1.733 8.939 1.00 15.00 C ATOM 331 C THR A 255 -1.972 -1.487 10.128 1.00 15.00 C ATOM 332 O THR A 255 -1.739 -0.625 10.971 1.00 15.00 O ATOM 333 CB THR A 255 0.420 -1.534 9.332 1.00 15.00 C ATOM 334 OG1 THR A 255 1.261 -1.965 8.255 1.00 15.00 O ATOM 335 CG2 THR A 255 0.778 -2.316 10.589 1.00 15.00 C ATOM 0 H THR A 255 -1.057 0.048 7.820 1.00 15.00 H new ATOM 0 HA THR A 255 -1.175 -2.769 8.619 1.00 15.00 H new ATOM 0 HB THR A 255 0.574 -0.474 9.535 1.00 15.00 H new ATOM 0 HG1 THR A 255 2.201 -1.838 8.503 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.827 -2.151 10.833 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.155 -1.978 11.417 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.608 -3.379 10.417 1.00 15.00 H new ATOM 343 N GLN A 256 -3.055 -2.240 10.119 1.00 15.00 N ATOM 344 CA GLN A 256 -3.757 -2.668 11.302 1.00 15.00 C ATOM 345 C GLN A 256 -3.324 -4.098 11.545 1.00 15.00 C ATOM 346 O GLN A 256 -2.919 -4.492 12.636 1.00 15.00 O ATOM 347 CB GLN A 256 -5.273 -2.573 11.092 1.00 15.00 C ATOM 348 CG GLN A 256 -6.099 -3.155 12.226 1.00 15.00 C ATOM 349 CD GLN A 256 -7.594 -3.099 11.961 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.344 -3.978 12.388 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.038 -2.055 11.280 1.00 15.00 N ATOM 0 H GLN A 256 -3.480 -2.579 9.256 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.525 -2.038 12.161 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.545 -1.526 10.961 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.533 -3.088 10.167 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.803 -4.191 12.389 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.878 -2.612 13.145 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.383 -1.349 10.944 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.035 -1.956 11.091 1.00 15.00 H new ATOM 360 N THR A 257 -3.434 -4.862 10.459 1.00 15.00 N ATOM 361 CA THR A 257 -3.036 -6.257 10.416 1.00 15.00 C ATOM 362 C THR A 257 -1.683 -6.428 9.816 1.00 15.00 C ATOM 363 O THR A 257 -1.021 -7.466 9.852 1.00 15.00 O ATOM 364 CB THR A 257 -4.085 -7.128 9.711 1.00 15.00 C ATOM 365 OG1 THR A 257 -4.217 -6.701 8.349 1.00 15.00 O ATOM 366 CG2 THR A 257 -5.436 -7.012 10.405 1.00 15.00 C ATOM 0 H THR A 257 -3.808 -4.518 9.575 1.00 15.00 H new ATOM 0 HA THR A 257 -2.975 -6.603 11.448 1.00 15.00 H new ATOM 0 HB THR A 257 -3.759 -8.167 9.750 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.885 -7.256 7.895 1.00 15.00 H new ATOM 0 HG21 THR A 257 -6.165 -7.637 9.889 1.00 15.00 H new ATOM 0 HG22 THR A 257 -5.343 -7.342 11.440 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.768 -5.974 10.383 1.00 15.00 H new ATOM 374 N GLY A 258 -1.366 -5.362 9.263 1.00 15.00 N ATOM 375 CA GLY A 258 -0.177 -5.191 8.454 1.00 15.00 C ATOM 376 C GLY A 258 -0.389 -5.529 6.987 1.00 15.00 C ATOM 377 O GLY A 258 0.115 -6.541 6.502 1.00 15.00 O ATOM 0 H GLY A 258 -1.928 -4.514 9.338 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.163 -4.159 8.536 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.618 -5.821 8.853 1.00 15.00 H new ATOM 381 N VAL A 259 -1.137 -4.687 6.278 1.00 15.00 N ATOM 382 CA VAL A 259 -1.291 -4.845 4.830 1.00 15.00 C ATOM 383 C VAL A 259 -0.222 -4.086 4.081 1.00 15.00 C ATOM 384 O VAL A 259 0.028 -2.917 4.342 1.00 15.00 O ATOM 385 CB VAL A 259 -2.672 -4.386 4.290 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.711 -4.444 2.767 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.752 -5.272 4.860 1.00 15.00 C ATOM 0 H VAL A 259 -1.642 -3.895 6.675 1.00 15.00 H new ATOM 0 HA VAL A 259 -1.200 -5.918 4.659 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.838 -3.353 4.596 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.690 -4.117 2.415 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.941 -3.789 2.358 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.530 -5.467 2.437 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.723 -4.951 4.482 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.570 -6.305 4.563 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.745 -5.201 5.948 1.00 15.00 H new ATOM 397 N SER A 260 0.399 -4.782 3.165 1.00 15.00 N ATOM 398 CA SER A 260 1.316 -4.181 2.211 1.00 15.00 C ATOM 399 C SER A 260 1.280 -4.987 0.921 1.00 15.00 C ATOM 400 O SER A 260 1.911 -6.038 0.810 1.00 15.00 O ATOM 401 CB SER A 260 2.740 -4.070 2.780 1.00 15.00 C ATOM 402 OG SER A 260 3.147 -5.278 3.409 1.00 15.00 O ATOM 0 H SER A 260 0.287 -5.790 3.053 1.00 15.00 H new ATOM 0 HA SER A 260 0.998 -3.160 2.002 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.435 -3.825 1.977 1.00 15.00 H new ATOM 0 HB3 SER A 260 2.782 -3.252 3.499 1.00 15.00 H new ATOM 0 HG SER A 260 2.933 -6.038 2.828 1.00 15.00 H new ATOM 408 N THR A 261 0.493 -4.517 -0.031 1.00 15.00 N ATOM 409 CA THR A 261 0.170 -5.303 -1.205 1.00 15.00 C ATOM 410 C THR A 261 0.069 -4.426 -2.448 1.00 15.00 C ATOM 411 O THR A 261 -0.243 -3.235 -2.359 1.00 15.00 O ATOM 412 CB THR A 261 -1.148 -6.081 -1.002 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.391 -6.952 -2.115 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.324 -5.128 -0.826 1.00 15.00 C ATOM 0 H THR A 261 0.065 -3.591 -0.012 1.00 15.00 H new ATOM 0 HA THR A 261 0.981 -6.017 -1.352 1.00 15.00 H new ATOM 0 HB THR A 261 -1.048 -6.678 -0.096 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.747 -7.806 -1.791 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.240 -5.702 -0.685 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.153 -4.497 0.046 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.421 -4.502 -1.713 1.00 15.00 H new ATOM 422 N TRP A 262 0.385 -5.010 -3.594 1.00 15.00 N ATOM 423 CA TRP A 262 0.332 -4.298 -4.861 1.00 15.00 C ATOM 424 C TRP A 262 -1.099 -3.978 -5.268 1.00 15.00 C ATOM 425 O TRP A 262 -1.375 -2.892 -5.781 1.00 15.00 O ATOM 426 CB TRP A 262 0.979 -5.120 -5.967 1.00 15.00 C ATOM 427 CG TRP A 262 2.424 -5.410 -5.741 1.00 15.00 C ATOM 428 CD1 TRP A 262 2.988 -6.605 -5.422 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.487 -4.485 -5.711 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.316 -6.518 -5.365 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.649 -5.242 -5.500 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.604 -3.105 -5.873 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.867 -4.701 -5.441 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.860 -2.564 -5.756 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.958 -3.392 -5.545 1.00 15.00 C ATOM 0 H TRP A 262 0.683 -5.982 -3.672 1.00 15.00 H new ATOM 0 HA TRP A 262 0.878 -3.365 -4.721 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.441 -6.063 -6.067 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.869 -4.589 -6.912 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.430 -7.511 -5.238 1.00 15.00 H new ATOM 0 HE1 TRP A 262 4.963 -7.296 -5.240 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.743 -2.488 -6.082 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.746 -5.315 -5.313 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.996 -1.495 -5.828 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.934 -2.938 -5.462 1.00 15.00 H new ATOM 446 N HIS A 263 -2.002 -4.941 -5.083 1.00 15.00 N ATOM 447 CA HIS A 263 -3.381 -4.764 -5.512 1.00 15.00 C ATOM 448 C HIS A 263 -4.042 -3.653 -4.711 1.00 15.00 C ATOM 449 O HIS A 263 -3.931 -3.605 -3.483 1.00 15.00 O ATOM 450 CB HIS A 263 -4.192 -6.078 -5.395 1.00 15.00 C ATOM 451 CG HIS A 263 -4.881 -6.303 -4.072 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.202 -5.962 -3.839 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.427 -6.838 -2.914 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.521 -6.275 -2.595 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.465 -6.808 -2.016 1.00 15.00 N ATOM 0 H HIS A 263 -1.803 -5.840 -4.644 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.369 -4.483 -6.565 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.945 -6.091 -6.183 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.521 -6.916 -5.582 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.831 -5.536 -4.520 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.433 -7.218 -2.731 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.484 -6.120 -2.132 1.00 15.00 H new ATOM 464 N ASP A 264 -4.710 -2.758 -5.416 1.00 15.00 N ATOM 465 CA ASP A 264 -5.523 -1.738 -4.782 1.00 15.00 C ATOM 466 C ASP A 264 -6.547 -2.416 -3.877 1.00 15.00 C ATOM 467 O ASP A 264 -7.269 -3.294 -4.312 1.00 15.00 O ATOM 468 CB ASP A 264 -6.198 -0.894 -5.867 1.00 15.00 C ATOM 469 CG ASP A 264 -7.096 0.190 -5.320 1.00 15.00 C ATOM 470 OD1 ASP A 264 -6.624 0.994 -4.506 1.00 15.00 O ATOM 471 OD2 ASP A 264 -8.271 0.260 -5.739 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.704 -2.718 -6.435 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.911 -1.076 -4.169 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.429 -0.437 -6.490 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.784 -1.548 -6.512 1.00 15.00 H new ATOM 476 N PRO A 265 -6.602 -2.064 -2.596 1.00 15.00 N ATOM 477 CA PRO A 265 -7.491 -2.724 -1.650 1.00 15.00 C ATOM 478 C PRO A 265 -8.935 -2.333 -1.855 1.00 15.00 C ATOM 479 O PRO A 265 -9.848 -2.940 -1.298 1.00 15.00 O ATOM 480 CB PRO A 265 -6.994 -2.274 -0.282 1.00 15.00 C ATOM 481 CG PRO A 265 -5.734 -1.512 -0.535 1.00 15.00 C ATOM 482 CD PRO A 265 -5.813 -1.020 -1.947 1.00 15.00 C ATOM 0 HA PRO A 265 -7.470 -3.807 -1.771 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.735 -1.649 0.217 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.809 -3.130 0.368 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.637 -0.679 0.162 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -4.860 -2.148 -0.394 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.297 -0.045 -2.012 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.826 -0.917 -2.398 1.00 15.00 H new ATOM 490 N ARG A 266 -9.128 -1.273 -2.611 1.00 15.00 N ATOM 491 CA ARG A 266 -10.449 -0.889 -3.049 1.00 15.00 C ATOM 492 C ARG A 266 -10.911 -1.873 -4.112 1.00 15.00 C ATOM 493 O ARG A 266 -12.082 -1.916 -4.488 1.00 15.00 O ATOM 494 CB ARG A 266 -10.391 0.518 -3.604 1.00 15.00 C ATOM 495 CG ARG A 266 -11.746 1.170 -3.817 1.00 15.00 C ATOM 496 CD ARG A 266 -12.490 1.397 -2.514 1.00 15.00 C ATOM 497 NE ARG A 266 -13.727 2.142 -2.730 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.666 2.326 -1.802 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.531 1.786 -0.597 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.745 3.046 -2.088 1.00 15.00 N ATOM 0 H ARG A 266 -8.380 -0.660 -2.936 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.156 -0.907 -2.219 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -9.807 1.139 -2.925 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -9.859 0.498 -4.555 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.611 2.124 -4.326 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.350 0.542 -4.472 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.718 0.437 -2.051 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -11.852 1.942 -1.819 1.00 15.00 H new ATOM 0 HE ARG A 266 -13.883 2.549 -3.652 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.706 1.228 -0.378 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.252 1.930 0.110 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -15.853 3.456 -3.016 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.465 3.189 -1.380 1.00 15.00 H new ATOM 514 N ILE A 267 -9.956 -2.650 -4.596 1.00 15.00 N ATOM 515 CA ILE A 267 -10.237 -3.729 -5.539 1.00 15.00 C ATOM 516 C ILE A 267 -9.737 -5.069 -4.991 1.00 15.00 C ATOM 517 O ILE A 267 -8.647 -5.537 -5.389 1.00 15.00 O ATOM 518 CB ILE A 267 -9.673 -3.465 -6.970 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.176 -3.096 -6.969 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.486 -2.376 -7.654 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.602 -2.908 -8.359 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.444 -5.647 -4.139 1.00 15.00 O ATOM 0 H ILE A 267 -8.970 -2.555 -4.351 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.321 -3.770 -5.646 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.762 -4.398 -7.526 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.036 -2.178 -6.399 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.617 -3.878 -6.456 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -10.087 -2.197 -8.652 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.526 -2.692 -7.730 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.428 -1.458 -7.070 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.546 -2.650 -8.285 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.711 -3.833 -8.926 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -8.136 -2.106 -8.868 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 6.193 2.961 13.034 1.00 15.00 N ATOM 536 CA SER B 210 7.617 3.200 12.718 1.00 15.00 C ATOM 537 C SER B 210 7.780 3.566 11.246 1.00 15.00 C ATOM 538 O SER B 210 7.559 4.714 10.858 1.00 15.00 O ATOM 539 CB SER B 210 8.446 1.960 13.075 1.00 15.00 C ATOM 540 OG SER B 210 7.825 0.768 12.605 1.00 15.00 O ATOM 0 HA SER B 210 7.980 4.038 13.313 1.00 15.00 H new ATOM 0 HB2 SER B 210 9.442 2.049 12.641 1.00 15.00 H new ATOM 0 HB3 SER B 210 8.573 1.904 14.156 1.00 15.00 H new ATOM 0 HG SER B 210 6.858 0.910 12.533 1.00 15.00 H new ATOM 548 N ASP B 211 8.123 2.588 10.422 1.00 15.00 N ATOM 549 CA ASP B 211 8.247 2.808 8.992 1.00 15.00 C ATOM 550 C ASP B 211 7.913 1.524 8.245 1.00 15.00 C ATOM 551 O ASP B 211 8.461 0.461 8.547 1.00 15.00 O ATOM 552 CB ASP B 211 9.659 3.284 8.638 1.00 15.00 C ATOM 553 CG ASP B 211 9.766 3.779 7.208 1.00 15.00 C ATOM 554 OD1 ASP B 211 9.306 4.912 6.929 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 10.321 3.053 6.362 1.00 15.00 O ATOM 0 H ASP B 211 8.320 1.633 10.721 1.00 15.00 H new ATOM 0 HA ASP B 211 7.545 3.586 8.693 1.00 15.00 H new ATOM 0 HB2 ASP B 211 9.950 4.084 9.318 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.363 2.466 8.789 1.00 15.00 H new ATOM 560 N PRO B 212 7.013 1.604 7.261 1.00 15.00 N ATOM 561 CA PRO B 212 6.563 0.450 6.493 1.00 15.00 C ATOM 562 C PRO B 212 7.411 0.167 5.255 1.00 15.00 C ATOM 563 O PRO B 212 7.815 1.078 4.529 1.00 15.00 O ATOM 564 CB PRO B 212 5.160 0.861 6.043 1.00 15.00 C ATOM 565 CG PRO B 212 4.942 2.263 6.466 1.00 15.00 C ATOM 566 CD PRO B 212 6.282 2.806 6.878 1.00 15.00 C ATOM 0 HA PRO B 212 6.618 -0.458 7.093 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.063 0.769 4.961 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.409 0.207 6.487 1.00 15.00 H new ATOM 0 HG2 PRO B 212 4.520 2.851 5.651 1.00 15.00 H new ATOM 0 HG3 PRO B 212 4.234 2.311 7.294 1.00 15.00 H new ATOM 0 HD2 PRO B 212 6.773 3.335 6.061 1.00 15.00 H new ATOM 0 HD3 PRO B 212 6.196 3.509 7.707 1.00 15.00 H new ATOM 574 N GLY B 213 7.615 -1.121 5.002 1.00 15.00 N ATOM 575 CA GLY B 213 8.458 -1.570 3.912 1.00 15.00 C ATOM 576 C GLY B 213 7.704 -1.756 2.608 1.00 15.00 C ATOM 577 O GLY B 213 6.478 -1.889 2.593 1.00 15.00 O ATOM 0 H GLY B 213 7.200 -1.877 5.547 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.260 -0.847 3.760 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.928 -2.513 4.190 1.00 15.00 H new HETATM 581 N SEP B 214 8.453 -1.763 1.521 1.00 15.00 N HETATM 582 CA SEP B 214 7.908 -1.835 0.173 1.00 15.00 C HETATM 583 CB SEP B 214 8.801 -1.070 -0.805 1.00 15.00 C HETATM 584 OG SEP B 214 9.397 0.049 -0.187 1.00 15.00 O HETATM 585 C SEP B 214 7.748 -3.281 -0.309 1.00 15.00 C HETATM 586 O SEP B 214 8.366 -4.208 0.220 1.00 15.00 O HETATM 587 P SEP B 214 10.993 0.181 0.049 1.00 15.00 P HETATM 588 O1P SEP B 214 11.684 -0.654 -0.939 1.00 15.00 O HETATM 589 O2P SEP B 214 11.377 1.588 -0.111 1.00 15.00 O HETATM 590 O3P SEP B 214 11.307 -0.294 1.401 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.577 -1.733 -1.187 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.210 -0.744 -1.661 1.00 15.00 H new HETATM 0 HA SEP B 214 6.919 -1.379 0.205 1.00 15.00 H new HETATM 0 H SEP B 214 9.317 -1.250 1.695 1.00 15.00 H new ATOM 595 N PRO B 215 6.910 -3.459 -1.341 1.00 15.00 N ATOM 596 CA PRO B 215 6.682 -4.749 -2.001 1.00 15.00 C ATOM 597 C PRO B 215 7.686 -5.006 -3.119 1.00 15.00 C ATOM 598 O PRO B 215 8.316 -4.077 -3.629 1.00 15.00 O ATOM 599 CB PRO B 215 5.323 -4.528 -2.696 1.00 15.00 C ATOM 600 CG PRO B 215 4.734 -3.395 -1.983 1.00 15.00 C ATOM 601 CD PRO B 215 5.912 -2.500 -1.742 1.00 15.00 C ATOM 0 HA PRO B 215 6.747 -5.574 -1.292 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.449 -4.309 -3.756 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.692 -5.414 -2.626 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.966 -2.900 -2.577 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.265 -3.705 -1.049 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.203 -1.952 -2.638 1.00 15.00 H new ATOM 0 HD3 PRO B 215 5.716 -1.760 -0.966 1.00 15.00 H new ATOM 609 N PHE B 216 7.837 -6.267 -3.497 1.00 15.00 N ATOM 610 CA PHE B 216 8.784 -6.649 -4.534 1.00 15.00 C ATOM 611 C PHE B 216 8.052 -7.256 -5.725 1.00 15.00 C ATOM 612 O PHE B 216 7.326 -8.244 -5.584 1.00 15.00 O ATOM 613 CB PHE B 216 9.806 -7.640 -3.976 1.00 15.00 C ATOM 614 CG PHE B 216 10.605 -7.084 -2.832 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.759 -6.355 -3.066 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.192 -7.279 -1.525 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.489 -5.833 -2.017 1.00 15.00 C ATOM 618 CE2 PHE B 216 10.916 -6.757 -0.473 1.00 15.00 C ATOM 619 CZ PHE B 216 12.067 -6.033 -0.719 1.00 15.00 C ATOM 0 H PHE B 216 7.313 -7.046 -3.099 1.00 15.00 H new ATOM 0 HA PHE B 216 9.311 -5.756 -4.871 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.287 -8.540 -3.645 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.486 -7.939 -4.774 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.092 -6.193 -4.081 1.00 15.00 H new ATOM 0 HD2 PHE B 216 9.294 -7.845 -1.327 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.389 -5.269 -2.212 1.00 15.00 H new ATOM 0 HE2 PHE B 216 10.583 -6.914 0.542 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.635 -5.624 0.104 1.00 15.00 H new ATOM 629 N GLN B 217 8.242 -6.661 -6.894 1.00 15.00 N ATOM 630 CA GLN B 217 7.562 -7.104 -8.102 1.00 15.00 C ATOM 631 C GLN B 217 8.569 -7.619 -9.123 1.00 15.00 C ATOM 632 O GLN B 217 9.635 -6.986 -9.281 1.00 15.00 O ATOM 633 CB GLN B 217 6.731 -5.965 -8.703 1.00 15.00 C ATOM 634 CG GLN B 217 7.546 -4.737 -9.080 1.00 15.00 C ATOM 635 CD GLN B 217 6.695 -3.620 -9.651 1.00 15.00 C ATOM 636 OE1 GLN B 217 7.148 -2.853 -10.499 1.00 15.00 O ATOM 637 NE2 GLN B 217 5.459 -3.512 -9.185 1.00 15.00 N ATOM 638 OXT GLN B 217 8.292 -8.650 -9.765 1.00 15.00 O ATOM 0 H GLN B 217 8.865 -5.865 -7.031 1.00 15.00 H new ATOM 0 HA GLN B 217 6.889 -7.919 -7.835 1.00 15.00 H new ATOM 0 HB2 GLN B 217 6.216 -6.333 -9.590 1.00 15.00 H new ATOM 0 HB3 GLN B 217 5.963 -5.673 -7.987 1.00 15.00 H new ATOM 0 HG2 GLN B 217 8.073 -4.372 -8.199 1.00 15.00 H new ATOM 0 HG3 GLN B 217 8.304 -5.020 -9.810 1.00 15.00 H new ATOM 0 HE21 GLN B 217 5.120 -4.168 -8.481 1.00 15.00 H new ATOM 0 HE22 GLN B 217 4.847 -2.773 -9.530 1.00 15.00 H new TER 647 GLN B 217