USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=12 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 100:sc= -0.018 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.181 X(o=-0.2,f=-0.59) USER MOD Set 2.1: A 247 GLN : amide:sc= -6.19! C(o=-6.3!,f=-11!) USER MOD Set 2.2: A 249 GLN :FLIP amide:sc= -0.0997 F(o=-11!,f=-6.3) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.66) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot -145:sc= 1.28 USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS :FLIP no HE2:sc= -0.132 F(o=-2.1,f=-0.13) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 52:sc=0.000991 USER MOD Single : B 210 SER OG : rot 33:sc= 0.309 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -9.177 6.253 -4.904 1.00 15.00 N ATOM 2 CA GLU A 235 -9.816 6.443 -3.582 1.00 15.00 C ATOM 3 C GLU A 235 -10.085 5.097 -2.927 1.00 15.00 C ATOM 4 O GLU A 235 -10.770 4.241 -3.487 1.00 15.00 O ATOM 5 CB GLU A 235 -11.118 7.250 -3.720 1.00 15.00 C ATOM 6 CG GLU A 235 -10.903 8.756 -3.871 1.00 15.00 C ATOM 7 CD GLU A 235 -10.143 9.138 -5.128 1.00 15.00 C ATOM 8 OE1 GLU A 235 -8.936 8.832 -5.216 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -10.747 9.739 -6.036 1.00 15.00 O ATOM 0 HA GLU A 235 -9.134 7.006 -2.946 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.670 6.884 -4.585 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -11.741 7.068 -2.844 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -11.872 9.254 -3.877 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -10.360 9.126 -3.001 1.00 15.00 H new ATOM 18 N LEU A 236 -9.544 4.925 -1.732 1.00 15.00 N ATOM 19 CA LEU A 236 -9.596 3.651 -1.033 1.00 15.00 C ATOM 20 C LEU A 236 -10.511 3.755 0.181 1.00 15.00 C ATOM 21 O LEU A 236 -10.968 4.845 0.526 1.00 15.00 O ATOM 22 CB LEU A 236 -8.189 3.268 -0.558 1.00 15.00 C ATOM 23 CG LEU A 236 -7.068 3.519 -1.560 1.00 15.00 C ATOM 24 CD1 LEU A 236 -5.715 3.407 -0.883 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.165 2.543 -2.717 1.00 15.00 C ATOM 0 H LEU A 236 -9.058 5.662 -1.220 1.00 15.00 H new ATOM 0 HA LEU A 236 -9.981 2.893 -1.716 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -7.969 3.823 0.354 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.188 2.210 -0.296 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.174 4.531 -1.951 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -4.927 3.589 -1.613 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -5.646 4.144 -0.083 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -5.599 2.407 -0.465 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.358 2.735 -3.424 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.083 1.523 -2.341 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -8.124 2.668 -3.219 1.00 15.00 H new ATOM 37 N PRO A 237 -10.782 2.623 0.849 1.00 15.00 N ATOM 38 CA PRO A 237 -11.422 2.628 2.163 1.00 15.00 C ATOM 39 C PRO A 237 -10.490 3.174 3.222 1.00 15.00 C ATOM 40 O PRO A 237 -9.303 3.410 2.988 1.00 15.00 O ATOM 41 CB PRO A 237 -11.743 1.152 2.438 1.00 15.00 C ATOM 42 CG PRO A 237 -11.528 0.438 1.144 1.00 15.00 C ATOM 43 CD PRO A 237 -10.543 1.256 0.363 1.00 15.00 C ATOM 0 HA PRO A 237 -12.309 3.262 2.184 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.096 0.750 3.218 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.770 1.033 2.784 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.146 -0.569 1.315 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.466 0.335 0.598 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.518 0.936 0.548 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.713 1.175 -0.711 1.00 15.00 H new ATOM 51 N GLU A 238 -11.051 3.349 4.382 1.00 15.00 N ATOM 52 CA GLU A 238 -10.362 3.994 5.491 1.00 15.00 C ATOM 53 C GLU A 238 -9.229 3.119 6.033 1.00 15.00 C ATOM 54 O GLU A 238 -9.406 1.919 6.264 1.00 15.00 O ATOM 55 CB GLU A 238 -11.374 4.298 6.601 1.00 15.00 C ATOM 56 CG GLU A 238 -10.842 5.207 7.697 1.00 15.00 C ATOM 57 CD GLU A 238 -10.370 6.539 7.155 1.00 15.00 C ATOM 58 OE1 GLU A 238 -11.207 7.316 6.652 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -9.157 6.814 7.216 1.00 15.00 O ATOM 0 H GLU A 238 -12.002 3.052 4.599 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.915 4.921 5.131 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.256 4.760 6.157 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.698 3.359 7.049 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.623 5.374 8.439 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -10.017 4.712 8.209 1.00 15.00 H new ATOM 66 N GLY A 239 -8.074 3.743 6.260 1.00 15.00 N ATOM 67 CA GLY A 239 -6.937 3.050 6.833 1.00 15.00 C ATOM 68 C GLY A 239 -5.886 2.621 5.816 1.00 15.00 C ATOM 69 O GLY A 239 -4.965 1.885 6.161 1.00 15.00 O ATOM 0 H GLY A 239 -7.908 4.728 6.053 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.467 3.698 7.573 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.294 2.167 7.363 1.00 15.00 H new ATOM 73 N TYR A 240 -5.999 3.071 4.570 1.00 15.00 N ATOM 74 CA TYR A 240 -4.963 2.779 3.576 1.00 15.00 C ATOM 75 C TYR A 240 -4.208 4.037 3.192 1.00 15.00 C ATOM 76 O TYR A 240 -4.785 4.975 2.635 1.00 15.00 O ATOM 77 CB TYR A 240 -5.536 2.160 2.296 1.00 15.00 C ATOM 78 CG TYR A 240 -6.304 0.883 2.508 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.645 -0.317 2.718 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.685 0.877 2.490 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.348 -1.490 2.913 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.395 -0.285 2.685 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.724 -1.467 2.899 1.00 15.00 C ATOM 84 OH TYR A 240 -8.429 -2.629 3.098 1.00 15.00 O ATOM 0 H TYR A 240 -6.780 3.629 4.226 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.293 2.060 4.047 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.191 2.888 1.818 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.717 1.965 1.604 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.565 -0.336 2.729 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.217 1.801 2.320 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.821 -2.419 3.075 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.475 -0.270 2.670 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.390 -2.440 3.059 1.00 15.00 H new ATOM 94 N GLU A 241 -2.922 4.056 3.483 1.00 15.00 N ATOM 95 CA GLU A 241 -2.061 5.108 2.992 1.00 15.00 C ATOM 96 C GLU A 241 -1.339 4.622 1.744 1.00 15.00 C ATOM 97 O GLU A 241 -0.676 3.583 1.749 1.00 15.00 O ATOM 98 CB GLU A 241 -1.075 5.585 4.068 1.00 15.00 C ATOM 99 CG GLU A 241 -0.276 4.485 4.750 1.00 15.00 C ATOM 100 CD GLU A 241 0.777 5.041 5.692 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.599 6.174 6.194 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.793 4.355 5.929 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.453 3.355 4.056 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.672 5.973 2.734 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.378 6.289 3.613 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.630 6.133 4.829 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.954 3.838 5.307 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.206 3.866 3.993 1.00 15.00 H new ATOM 109 N GLN A 242 -1.496 5.367 0.667 1.00 15.00 N ATOM 110 CA GLN A 242 -0.904 5.000 -0.605 1.00 15.00 C ATOM 111 C GLN A 242 0.484 5.611 -0.701 1.00 15.00 C ATOM 112 O GLN A 242 0.632 6.801 -0.982 1.00 15.00 O ATOM 113 CB GLN A 242 -1.794 5.487 -1.753 1.00 15.00 C ATOM 114 CG GLN A 242 -1.286 5.140 -3.143 1.00 15.00 C ATOM 115 CD GLN A 242 -1.307 6.338 -4.070 1.00 15.00 C ATOM 116 OE1 GLN A 242 -2.147 7.228 -3.938 1.00 15.00 O ATOM 117 NE2 GLN A 242 -0.377 6.373 -5.007 1.00 15.00 N ATOM 0 H GLN A 242 -2.032 6.235 0.648 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.820 3.916 -0.677 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.790 5.061 -1.628 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.899 6.569 -1.679 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.269 4.755 -3.072 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.900 4.344 -3.565 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.301 5.614 -5.082 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.336 7.159 -5.656 1.00 15.00 H new ATOM 126 N ARG A 243 1.497 4.810 -0.419 1.00 15.00 N ATOM 127 CA ARG A 243 2.846 5.333 -0.328 1.00 15.00 C ATOM 128 C ARG A 243 3.596 5.261 -1.625 1.00 15.00 C ATOM 129 O ARG A 243 3.395 4.374 -2.456 1.00 15.00 O ATOM 130 CB ARG A 243 3.664 4.652 0.766 1.00 15.00 C ATOM 131 CG ARG A 243 3.403 5.240 2.121 1.00 15.00 C ATOM 132 CD ARG A 243 4.260 4.599 3.195 1.00 15.00 C ATOM 133 NE ARG A 243 3.889 5.071 4.521 1.00 15.00 N ATOM 134 CZ ARG A 243 4.429 6.128 5.121 1.00 15.00 C ATOM 135 NH1 ARG A 243 5.442 6.784 4.562 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 3.955 6.526 6.294 1.00 15.00 N ATOM 0 H ARG A 243 1.412 3.807 -0.251 1.00 15.00 H new ATOM 0 HA ARG A 243 2.716 6.384 -0.069 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.429 3.588 0.783 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.725 4.741 0.532 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.598 6.312 2.094 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.350 5.113 2.374 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.153 3.515 3.150 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.310 4.824 3.007 1.00 15.00 H new ATOM 0 HE ARG A 243 3.166 4.556 5.024 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.814 6.478 3.663 1.00 15.00 H new ATOM 0 HH12 ARG A 243 5.847 7.593 5.033 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.182 6.022 6.729 1.00 15.00 H new ATOM 0 HH22 ARG A 243 4.363 7.336 6.761 1.00 15.00 H new ATOM 150 N THR A 244 4.479 6.218 -1.748 1.00 15.00 N ATOM 151 CA THR A 244 5.401 6.299 -2.858 1.00 15.00 C ATOM 152 C THR A 244 6.825 6.204 -2.331 1.00 15.00 C ATOM 153 O THR A 244 7.143 6.768 -1.283 1.00 15.00 O ATOM 154 CB THR A 244 5.212 7.603 -3.658 1.00 15.00 C ATOM 155 OG1 THR A 244 5.125 8.724 -2.765 1.00 15.00 O ATOM 156 CG2 THR A 244 3.958 7.532 -4.516 1.00 15.00 C ATOM 0 H THR A 244 4.582 6.975 -1.072 1.00 15.00 H new ATOM 0 HA THR A 244 5.201 5.470 -3.537 1.00 15.00 H new ATOM 0 HB THR A 244 6.075 7.730 -4.311 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.007 9.547 -3.284 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.844 8.463 -5.072 1.00 15.00 H new ATOM 0 HG22 THR A 244 4.042 6.700 -5.215 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.088 7.383 -3.877 1.00 15.00 H new ATOM 164 N THR A 245 7.667 5.483 -3.044 1.00 15.00 N ATOM 165 CA THR A 245 9.008 5.194 -2.580 1.00 15.00 C ATOM 166 C THR A 245 9.974 5.161 -3.757 1.00 15.00 C ATOM 167 O THR A 245 9.570 4.850 -4.882 1.00 15.00 O ATOM 168 CB THR A 245 9.054 3.861 -1.797 1.00 15.00 C ATOM 169 OG1 THR A 245 10.406 3.504 -1.479 1.00 15.00 O ATOM 170 CG2 THR A 245 8.393 2.746 -2.587 1.00 15.00 C ATOM 0 H THR A 245 7.443 5.084 -3.955 1.00 15.00 H new ATOM 0 HA THR A 245 9.312 5.988 -1.898 1.00 15.00 H new ATOM 0 HB THR A 245 8.502 4.001 -0.867 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.506 2.530 -1.523 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.438 1.819 -2.015 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.351 3.004 -2.779 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.914 2.613 -3.535 1.00 15.00 H new ATOM 178 N VAL A 246 11.231 5.513 -3.490 1.00 15.00 N ATOM 179 CA VAL A 246 12.271 5.632 -4.518 1.00 15.00 C ATOM 180 C VAL A 246 12.356 4.426 -5.459 1.00 15.00 C ATOM 181 O VAL A 246 12.881 4.546 -6.563 1.00 15.00 O ATOM 182 CB VAL A 246 13.659 5.851 -3.889 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.789 7.270 -3.359 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.922 4.842 -2.778 1.00 15.00 C ATOM 0 H VAL A 246 11.561 5.726 -2.549 1.00 15.00 H new ATOM 0 HA VAL A 246 11.975 6.499 -5.109 1.00 15.00 H new ATOM 0 HB VAL A 246 14.407 5.701 -4.667 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.777 7.405 -2.918 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.657 7.978 -4.178 1.00 15.00 H new ATOM 0 HG13 VAL A 246 13.026 7.446 -2.601 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.909 5.020 -2.351 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.166 4.951 -2.001 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.880 3.832 -3.186 1.00 15.00 H new ATOM 194 N GLN A 247 11.863 3.272 -5.024 1.00 15.00 N ATOM 195 CA GLN A 247 11.833 2.086 -5.882 1.00 15.00 C ATOM 196 C GLN A 247 11.028 2.357 -7.161 1.00 15.00 C ATOM 197 O GLN A 247 11.192 1.665 -8.165 1.00 15.00 O ATOM 198 CB GLN A 247 11.235 0.880 -5.149 1.00 15.00 C ATOM 199 CG GLN A 247 9.743 1.008 -4.899 1.00 15.00 C ATOM 200 CD GLN A 247 9.080 -0.285 -4.465 1.00 15.00 C ATOM 201 OE1 GLN A 247 8.056 -0.262 -3.792 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.654 -1.415 -4.841 1.00 15.00 N ATOM 0 H GLN A 247 11.480 3.129 -4.089 1.00 15.00 H new ATOM 0 HA GLN A 247 12.864 1.856 -6.149 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.422 -0.021 -5.733 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.747 0.753 -4.195 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.576 1.765 -4.133 1.00 15.00 H new ATOM 0 HG3 GLN A 247 9.261 1.364 -5.809 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.506 -1.392 -5.401 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.245 -2.309 -4.571 1.00 15.00 H new ATOM 211 N GLY A 248 10.139 3.347 -7.102 1.00 15.00 N ATOM 212 CA GLY A 248 9.362 3.731 -8.264 1.00 15.00 C ATOM 213 C GLY A 248 8.042 2.993 -8.360 1.00 15.00 C ATOM 214 O GLY A 248 7.535 2.766 -9.458 1.00 15.00 O ATOM 0 H GLY A 248 9.944 3.892 -6.262 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.171 4.804 -8.229 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.946 3.540 -9.165 1.00 15.00 H new ATOM 218 N GLN A 249 7.475 2.628 -7.219 1.00 15.00 N ATOM 219 CA GLN A 249 6.224 1.877 -7.195 1.00 15.00 C ATOM 220 C GLN A 249 5.278 2.395 -6.116 1.00 15.00 C ATOM 221 O GLN A 249 5.711 2.775 -5.026 1.00 15.00 O ATOM 222 CB GLN A 249 6.487 0.385 -6.957 1.00 15.00 C ATOM 223 CG GLN A 249 6.764 -0.418 -8.227 1.00 15.00 C ATOM 224 CD GLN A 249 8.214 -0.394 -8.669 1.00 15.00 C ATOM 225 OE1 GLN A 249 9.135 -0.399 -7.717 1.00 15.00 O flip ATOM 226 NE2 GLN A 249 8.509 -0.419 -9.865 1.00 15.00 N flip ATOM 0 H GLN A 249 7.859 2.838 -6.298 1.00 15.00 H new ATOM 0 HA GLN A 249 5.754 2.014 -8.169 1.00 15.00 H new ATOM 0 HB2 GLN A 249 7.338 0.282 -6.284 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.624 -0.047 -6.450 1.00 15.00 H new ATOM 0 HG2 GLN A 249 6.462 -1.452 -8.063 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.143 -0.028 -9.033 1.00 15.00 H new ATOM 0 HE21 GLN A 249 7.774 -0.414 -10.572 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.489 -0.445 -10.148 1.00 15.00 H new ATOM 235 N VAL A 250 3.982 2.393 -6.428 1.00 15.00 N ATOM 236 CA VAL A 250 2.948 2.711 -5.449 1.00 15.00 C ATOM 237 C VAL A 250 2.501 1.432 -4.750 1.00 15.00 C ATOM 238 O VAL A 250 2.343 0.393 -5.389 1.00 15.00 O ATOM 239 CB VAL A 250 1.715 3.393 -6.094 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.080 4.749 -6.669 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.099 2.514 -7.174 1.00 15.00 C ATOM 0 H VAL A 250 3.624 2.173 -7.357 1.00 15.00 H new ATOM 0 HA VAL A 250 3.380 3.412 -4.735 1.00 15.00 H new ATOM 0 HB VAL A 250 0.975 3.538 -5.307 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.196 5.205 -7.115 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.458 5.392 -5.874 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.849 4.626 -7.432 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.236 3.020 -7.607 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.837 2.324 -7.953 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.782 1.568 -6.736 1.00 15.00 H new ATOM 251 N TYR A 251 2.304 1.498 -3.445 1.00 15.00 N ATOM 252 CA TYR A 251 1.971 0.307 -2.681 1.00 15.00 C ATOM 253 C TYR A 251 0.992 0.653 -1.566 1.00 15.00 C ATOM 254 O TYR A 251 1.137 1.677 -0.891 1.00 15.00 O ATOM 255 CB TYR A 251 3.278 -0.322 -2.175 1.00 15.00 C ATOM 256 CG TYR A 251 4.023 0.446 -1.098 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.685 0.332 0.247 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.108 1.242 -1.433 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.408 0.993 1.222 1.00 15.00 C ATOM 260 CE2 TYR A 251 5.829 1.910 -0.467 1.00 15.00 C ATOM 261 CZ TYR A 251 5.480 1.780 0.858 1.00 15.00 C ATOM 262 OH TYR A 251 6.204 2.439 1.824 1.00 15.00 O ATOM 0 H TYR A 251 2.368 2.355 -2.896 1.00 15.00 H new ATOM 0 HA TYR A 251 1.464 -0.431 -3.302 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.052 -1.317 -1.791 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.946 -0.453 -3.026 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.844 -0.283 0.534 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.393 1.340 -2.470 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.135 0.894 2.262 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.665 2.533 -0.749 1.00 15.00 H new ATOM 0 HH TYR A 251 6.926 2.949 1.401 1.00 15.00 H new ATOM 272 N PHE A 252 -0.020 -0.189 -1.397 1.00 15.00 N ATOM 273 CA PHE A 252 -1.108 0.104 -0.477 1.00 15.00 C ATOM 274 C PHE A 252 -0.821 -0.417 0.908 1.00 15.00 C ATOM 275 O PHE A 252 -0.637 -1.620 1.113 1.00 15.00 O ATOM 276 CB PHE A 252 -2.426 -0.443 -1.019 1.00 15.00 C ATOM 277 CG PHE A 252 -2.863 0.344 -2.221 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.971 1.720 -2.132 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.097 -0.265 -3.450 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.297 2.479 -3.237 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.440 0.492 -4.555 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.532 1.868 -4.448 1.00 15.00 C ATOM 0 H PHE A 252 -0.109 -1.080 -1.886 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.198 1.187 -0.395 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.309 -1.493 -1.287 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.193 -0.395 -0.246 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.798 2.207 -1.184 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.010 -1.338 -3.542 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.368 3.553 -3.152 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.636 0.009 -5.501 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.788 2.462 -5.313 1.00 15.00 H new ATOM 292 N LEU A 253 -0.782 0.507 1.852 1.00 15.00 N ATOM 293 CA LEU A 253 -0.431 0.191 3.213 1.00 15.00 C ATOM 294 C LEU A 253 -1.614 0.390 4.144 1.00 15.00 C ATOM 295 O LEU A 253 -2.146 1.490 4.272 1.00 15.00 O ATOM 296 CB LEU A 253 0.720 1.076 3.666 1.00 15.00 C ATOM 297 CG LEU A 253 1.812 0.376 4.472 1.00 15.00 C ATOM 298 CD1 LEU A 253 2.781 1.395 5.018 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.238 -0.441 5.614 1.00 15.00 C ATOM 0 H LEU A 253 -0.993 1.492 1.691 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.132 -0.857 3.251 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.176 1.527 2.785 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.314 1.890 4.267 1.00 15.00 H new ATOM 0 HG LEU A 253 2.330 -0.307 3.798 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.557 0.888 5.592 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.238 1.941 4.193 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.249 2.093 5.665 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.049 -0.922 6.161 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.684 0.213 6.287 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.568 -1.203 5.216 1.00 15.00 H new ATOM 311 N HIS A 254 -2.023 -0.686 4.776 1.00 15.00 N ATOM 312 CA HIS A 254 -2.969 -0.623 5.870 1.00 15.00 C ATOM 313 C HIS A 254 -2.388 -1.373 7.034 1.00 15.00 C ATOM 314 O HIS A 254 -2.566 -2.592 7.130 1.00 15.00 O ATOM 315 CB HIS A 254 -4.325 -1.245 5.492 1.00 15.00 C ATOM 316 CG HIS A 254 -5.274 -1.431 6.649 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.803 -0.538 7.519 1.00 15.00 N flip ATOM 318 CD2 HIS A 254 -5.760 -2.667 7.037 1.00 15.00 C flip ATOM 319 CE1 HIS A 254 -6.579 -1.241 8.406 1.00 15.00 C flip ATOM 320 NE2 HIS A 254 -6.535 -2.523 8.098 1.00 15.00 N flip ATOM 0 H HIS A 254 -1.710 -1.630 4.548 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.145 0.423 6.120 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.804 -0.613 4.744 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.148 -2.214 5.025 1.00 15.00 H new ATOM 0 HD1 HIS A 254 -5.652 0.471 7.516 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.540 -3.605 6.548 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -7.137 -0.813 9.226 1.00 15.00 H new ATOM 329 N THR A 255 -1.648 -0.715 7.903 1.00 15.00 N ATOM 330 CA THR A 255 -1.141 -1.468 9.007 1.00 15.00 C ATOM 331 C THR A 255 -2.127 -1.425 10.156 1.00 15.00 C ATOM 332 O THR A 255 -2.088 -0.559 11.029 1.00 15.00 O ATOM 333 CB THR A 255 0.219 -0.902 9.460 1.00 15.00 C ATOM 334 OG1 THR A 255 0.323 0.468 9.056 1.00 15.00 O ATOM 335 CG2 THR A 255 1.376 -1.698 8.878 1.00 15.00 C ATOM 0 H THR A 255 -1.402 0.274 7.867 1.00 15.00 H new ATOM 0 HA THR A 255 -1.003 -2.503 8.693 1.00 15.00 H new ATOM 0 HB THR A 255 0.274 -0.976 10.546 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.187 0.830 9.345 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.319 -1.271 9.218 1.00 15.00 H new ATOM 0 HG22 THR A 255 1.307 -2.735 9.208 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.332 -1.660 7.790 1.00 15.00 H new ATOM 343 N GLN A 256 -3.043 -2.372 10.093 1.00 15.00 N ATOM 344 CA GLN A 256 -3.687 -2.967 11.230 1.00 15.00 C ATOM 345 C GLN A 256 -3.008 -4.296 11.440 1.00 15.00 C ATOM 346 O GLN A 256 -2.459 -4.609 12.491 1.00 15.00 O ATOM 347 CB GLN A 256 -5.174 -3.147 10.953 1.00 15.00 C ATOM 348 CG GLN A 256 -5.956 -3.757 12.096 1.00 15.00 C ATOM 349 CD GLN A 256 -7.403 -3.981 11.730 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.768 -5.033 11.212 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.233 -2.981 11.974 1.00 15.00 N ATOM 0 H GLN A 256 -3.367 -2.759 9.206 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.605 -2.343 12.120 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.606 -2.176 10.712 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.293 -3.777 10.071 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.502 -4.706 12.381 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.898 -3.102 12.966 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.887 -2.125 12.406 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.220 -3.066 11.730 1.00 15.00 H new ATOM 360 N THR A 257 -3.065 -5.059 10.345 1.00 15.00 N ATOM 361 CA THR A 257 -2.497 -6.387 10.253 1.00 15.00 C ATOM 362 C THR A 257 -1.148 -6.363 9.631 1.00 15.00 C ATOM 363 O THR A 257 -0.344 -7.290 9.659 1.00 15.00 O ATOM 364 CB THR A 257 -3.446 -7.369 9.541 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.657 -6.935 8.188 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.790 -7.424 10.250 1.00 15.00 C ATOM 0 H THR A 257 -3.520 -4.755 9.484 1.00 15.00 H new ATOM 0 HA THR A 257 -2.372 -6.756 11.271 1.00 15.00 H new ATOM 0 HB THR A 257 -2.991 -8.360 9.556 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.259 -7.561 7.734 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.446 -8.123 9.732 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.646 -7.756 11.278 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.243 -6.432 10.249 1.00 15.00 H new ATOM 374 N GLY A 258 -0.981 -5.252 9.106 1.00 15.00 N ATOM 375 CA GLY A 258 0.158 -4.915 8.277 1.00 15.00 C ATOM 376 C GLY A 258 -0.032 -5.288 6.818 1.00 15.00 C ATOM 377 O GLY A 258 0.562 -6.249 6.336 1.00 15.00 O ATOM 0 H GLY A 258 -1.641 -4.482 9.219 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.348 -3.844 8.350 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.042 -5.422 8.663 1.00 15.00 H new ATOM 381 N VAL A 259 -0.870 -4.537 6.117 1.00 15.00 N ATOM 382 CA VAL A 259 -1.018 -4.723 4.672 1.00 15.00 C ATOM 383 C VAL A 259 -0.049 -3.864 3.881 1.00 15.00 C ATOM 384 O VAL A 259 -0.024 -2.648 4.016 1.00 15.00 O ATOM 385 CB VAL A 259 -2.454 -4.437 4.156 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.491 -4.399 2.636 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.389 -5.512 4.653 1.00 15.00 C ATOM 0 H VAL A 259 -1.453 -3.801 6.515 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.795 -5.778 4.512 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.768 -3.464 4.533 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.509 -4.197 2.302 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.828 -3.613 2.275 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.163 -5.360 2.240 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.398 -5.312 4.291 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.057 -6.482 4.284 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.389 -5.519 5.743 1.00 15.00 H new ATOM 397 N SER A 260 0.733 -4.532 3.059 1.00 15.00 N ATOM 398 CA SER A 260 1.556 -3.882 2.048 1.00 15.00 C ATOM 399 C SER A 260 1.392 -4.650 0.753 1.00 15.00 C ATOM 400 O SER A 260 2.070 -5.652 0.513 1.00 15.00 O ATOM 401 CB SER A 260 3.033 -3.802 2.451 1.00 15.00 C ATOM 402 OG SER A 260 3.447 -4.974 3.140 1.00 15.00 O ATOM 0 H SER A 260 0.819 -5.548 3.070 1.00 15.00 H new ATOM 0 HA SER A 260 1.224 -2.850 1.931 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.648 -3.665 1.561 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.192 -2.930 3.085 1.00 15.00 H new ATOM 0 HG SER A 260 3.212 -5.765 2.611 1.00 15.00 H new ATOM 408 N THR A 261 0.451 -4.213 -0.054 1.00 15.00 N ATOM 409 CA THR A 261 -0.019 -5.031 -1.157 1.00 15.00 C ATOM 410 C THR A 261 0.163 -4.359 -2.511 1.00 15.00 C ATOM 411 O THR A 261 0.157 -3.130 -2.622 1.00 15.00 O ATOM 412 CB THR A 261 -1.500 -5.418 -0.967 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.946 -6.212 -2.070 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.378 -4.184 -0.837 1.00 15.00 C ATOM 0 H THR A 261 -0.003 -3.303 0.029 1.00 15.00 H new ATOM 0 HA THR A 261 0.597 -5.930 -1.150 1.00 15.00 H new ATOM 0 HB THR A 261 -1.581 -5.996 -0.046 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.939 -7.158 -1.816 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.416 -4.488 -0.704 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.058 -3.599 0.025 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.290 -3.578 -1.739 1.00 15.00 H new ATOM 422 N TRP A 262 0.355 -5.197 -3.529 1.00 15.00 N ATOM 423 CA TRP A 262 0.441 -4.746 -4.906 1.00 15.00 C ATOM 424 C TRP A 262 -0.945 -4.515 -5.500 1.00 15.00 C ATOM 425 O TRP A 262 -1.085 -3.839 -6.520 1.00 15.00 O ATOM 426 CB TRP A 262 1.194 -5.768 -5.762 1.00 15.00 C ATOM 427 CG TRP A 262 2.675 -5.574 -5.789 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.640 -6.529 -5.691 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.371 -4.350 -5.822 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.863 -6.001 -5.826 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.737 -4.674 -5.869 1.00 15.00 C ATOM 432 CE3 TRP A 262 2.992 -3.012 -5.849 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.708 -3.740 -5.932 1.00 15.00 C ATOM 434 CZ3 TRP A 262 3.987 -2.074 -5.865 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.323 -2.467 -5.908 1.00 15.00 C ATOM 0 H TRP A 262 0.455 -6.206 -3.416 1.00 15.00 H new ATOM 0 HA TRP A 262 0.985 -3.801 -4.906 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.977 -6.768 -5.388 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.814 -5.720 -6.783 1.00 15.00 H new ATOM 0 HD1 TRP A 262 3.444 -7.578 -5.526 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.738 -6.522 -5.886 1.00 15.00 H new ATOM 0 HE3 TRP A 262 1.951 -2.725 -5.857 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.751 -4.013 -5.999 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 3.736 -1.024 -5.844 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.083 -1.700 -5.923 1.00 15.00 H new ATOM 446 N HIS A 263 -1.969 -5.094 -4.885 1.00 15.00 N ATOM 447 CA HIS A 263 -3.319 -4.953 -5.405 1.00 15.00 C ATOM 448 C HIS A 263 -4.076 -3.892 -4.616 1.00 15.00 C ATOM 449 O HIS A 263 -4.045 -3.877 -3.386 1.00 15.00 O ATOM 450 CB HIS A 263 -4.075 -6.301 -5.391 1.00 15.00 C ATOM 451 CG HIS A 263 -4.805 -6.627 -4.112 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.083 -6.174 -3.844 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.440 -7.364 -3.033 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.467 -6.612 -2.661 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.491 -7.338 -2.146 1.00 15.00 N ATOM 0 H HIS A 263 -1.891 -5.657 -4.038 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.252 -4.632 -6.445 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.795 -6.301 -6.209 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.361 -7.099 -5.594 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.643 -5.591 -4.466 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.499 -7.876 -2.896 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.419 -6.411 -2.192 1.00 15.00 H new ATOM 464 N ASP A 264 -4.750 -3.011 -5.333 1.00 15.00 N ATOM 465 CA ASP A 264 -5.588 -1.999 -4.710 1.00 15.00 C ATOM 466 C ASP A 264 -6.615 -2.676 -3.796 1.00 15.00 C ATOM 467 O ASP A 264 -7.234 -3.666 -4.173 1.00 15.00 O ATOM 468 CB ASP A 264 -6.270 -1.171 -5.804 1.00 15.00 C ATOM 469 CG ASP A 264 -7.003 0.042 -5.274 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.936 -0.126 -4.471 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.650 1.175 -5.671 1.00 15.00 O ATOM 0 H ASP A 264 -4.734 -2.975 -6.352 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.984 -1.329 -4.098 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.519 -0.846 -6.524 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.975 -1.805 -6.342 1.00 15.00 H new ATOM 476 N PRO A 265 -6.781 -2.182 -2.567 1.00 15.00 N ATOM 477 CA PRO A 265 -7.673 -2.800 -1.588 1.00 15.00 C ATOM 478 C PRO A 265 -9.135 -2.437 -1.785 1.00 15.00 C ATOM 479 O PRO A 265 -10.030 -3.052 -1.196 1.00 15.00 O ATOM 480 CB PRO A 265 -7.150 -2.267 -0.265 1.00 15.00 C ATOM 481 CG PRO A 265 -6.590 -0.923 -0.597 1.00 15.00 C ATOM 482 CD PRO A 265 -6.100 -0.996 -2.019 1.00 15.00 C ATOM 0 HA PRO A 265 -7.665 -3.887 -1.665 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.946 -2.193 0.476 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.386 -2.923 0.153 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.351 -0.150 -0.489 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.775 -0.665 0.080 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.356 -0.095 -2.577 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.016 -1.101 -2.063 1.00 15.00 H new ATOM 490 N ARG A 266 -9.367 -1.416 -2.582 1.00 15.00 N ATOM 491 CA ARG A 266 -10.709 -1.010 -2.953 1.00 15.00 C ATOM 492 C ARG A 266 -11.225 -1.969 -4.006 1.00 15.00 C ATOM 493 O ARG A 266 -12.390 -1.942 -4.406 1.00 15.00 O ATOM 494 CB ARG A 266 -10.652 0.403 -3.494 1.00 15.00 C ATOM 495 CG ARG A 266 -11.998 1.087 -3.654 1.00 15.00 C ATOM 496 CD ARG A 266 -12.665 1.357 -2.321 1.00 15.00 C ATOM 497 NE ARG A 266 -13.882 2.143 -2.486 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.894 2.152 -1.623 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.831 1.429 -0.514 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.968 2.888 -1.874 1.00 15.00 N ATOM 0 H ARG A 266 -8.630 -0.842 -2.992 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.380 -1.032 -2.094 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.033 1.005 -2.829 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.154 0.384 -4.463 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.864 2.027 -4.189 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.650 0.463 -4.265 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.904 0.412 -1.833 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -11.973 1.887 -1.667 1.00 15.00 H new ATOM 0 HE ARG A 266 -13.963 2.725 -3.320 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.005 0.863 -0.320 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.609 1.438 0.146 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.016 3.445 -2.727 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.746 2.897 -1.214 1.00 15.00 H new ATOM 514 N ILE A 267 -10.307 -2.801 -4.454 1.00 15.00 N ATOM 515 CA ILE A 267 -10.611 -3.848 -5.422 1.00 15.00 C ATOM 516 C ILE A 267 -11.320 -5.004 -4.725 1.00 15.00 C ATOM 517 O ILE A 267 -10.636 -5.788 -4.034 1.00 15.00 O ATOM 518 CB ILE A 267 -9.337 -4.391 -6.115 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.513 -3.251 -6.726 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.704 -5.411 -7.185 1.00 15.00 C ATOM 521 CD1 ILE A 267 -9.256 -2.434 -7.763 1.00 15.00 C ATOM 522 OXT ILE A 267 -12.555 -5.125 -4.864 1.00 15.00 O ATOM 0 H ILE A 267 -9.330 -2.775 -4.161 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.252 -3.406 -6.185 1.00 15.00 H new ATOM 0 HB ILE A 267 -8.727 -4.883 -5.358 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.182 -2.588 -5.927 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.617 -3.670 -7.184 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -8.796 -5.781 -7.661 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -10.239 -6.243 -6.727 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.340 -4.940 -7.934 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -8.603 -1.649 -8.145 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -9.564 -3.081 -8.584 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -10.137 -1.982 -7.307 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.747 2.626 13.411 1.00 15.00 N ATOM 536 CA SER B 210 8.476 2.668 12.671 1.00 15.00 C ATOM 537 C SER B 210 8.726 3.004 11.204 1.00 15.00 C ATOM 538 O SER B 210 8.881 4.171 10.842 1.00 15.00 O ATOM 539 CB SER B 210 7.548 3.698 13.306 1.00 15.00 C ATOM 540 OG SER B 210 7.553 3.573 14.721 1.00 15.00 O ATOM 0 HA SER B 210 8.002 1.688 12.719 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.864 4.702 13.023 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.535 3.564 12.928 1.00 15.00 H new ATOM 0 HG SER B 210 8.438 3.278 15.020 1.00 15.00 H new ATOM 548 N ASP B 211 8.826 1.974 10.375 1.00 15.00 N ATOM 549 CA ASP B 211 9.091 2.155 8.952 1.00 15.00 C ATOM 550 C ASP B 211 8.459 1.026 8.148 1.00 15.00 C ATOM 551 O ASP B 211 8.608 -0.150 8.487 1.00 15.00 O ATOM 552 CB ASP B 211 10.603 2.232 8.677 1.00 15.00 C ATOM 553 CG ASP B 211 11.351 0.948 8.997 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.480 0.605 10.193 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.837 0.283 8.056 1.00 15.00 O1- ATOM 0 H ASP B 211 8.727 1.001 10.664 1.00 15.00 H new ATOM 0 HA ASP B 211 8.644 3.099 8.641 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.760 2.481 7.627 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.029 3.046 9.264 1.00 15.00 H new ATOM 560 N PRO B 212 7.734 1.366 7.076 1.00 15.00 N ATOM 561 CA PRO B 212 7.102 0.389 6.206 1.00 15.00 C ATOM 562 C PRO B 212 8.012 -0.038 5.065 1.00 15.00 C ATOM 563 O PRO B 212 8.709 0.784 4.470 1.00 15.00 O ATOM 564 CB PRO B 212 5.891 1.142 5.656 1.00 15.00 C ATOM 565 CG PRO B 212 6.114 2.597 5.939 1.00 15.00 C ATOM 566 CD PRO B 212 7.453 2.731 6.625 1.00 15.00 C ATOM 0 HA PRO B 212 6.852 -0.529 6.737 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.783 0.970 4.585 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.973 0.793 6.129 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.099 3.173 5.014 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.319 2.990 6.572 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.221 3.096 5.943 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.410 3.430 7.460 1.00 15.00 H new ATOM 574 N GLY B 213 7.980 -1.318 4.747 1.00 15.00 N ATOM 575 CA GLY B 213 8.787 -1.825 3.663 1.00 15.00 C ATOM 576 C GLY B 213 8.056 -1.770 2.341 1.00 15.00 C ATOM 577 O GLY B 213 6.824 -1.745 2.301 1.00 15.00 O ATOM 0 H GLY B 213 7.408 -2.017 5.221 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.707 -1.245 3.593 1.00 15.00 H new ATOM 0 HA3 GLY B 213 9.075 -2.855 3.876 1.00 15.00 H new HETATM 581 N SEP B 214 8.817 -1.748 1.266 1.00 15.00 N HETATM 582 CA SEP B 214 8.269 -1.655 -0.073 1.00 15.00 C HETATM 583 CB SEP B 214 9.191 -0.840 -0.989 1.00 15.00 C HETATM 584 OG SEP B 214 10.554 -0.999 -0.654 1.00 15.00 O HETATM 585 C SEP B 214 7.990 -3.036 -0.672 1.00 15.00 C HETATM 586 O SEP B 214 8.531 -4.053 -0.226 1.00 15.00 O HETATM 587 P SEP B 214 11.744 -0.331 -1.530 1.00 15.00 P HETATM 588 O1P SEP B 214 11.831 -1.034 -2.811 1.00 15.00 O HETATM 589 O2P SEP B 214 11.435 1.091 -1.741 1.00 15.00 O HETATM 590 O3P SEP B 214 13.004 -0.474 -0.788 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.035 -1.146 -2.023 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.924 0.215 -0.925 1.00 15.00 H new HETATM 0 HA SEP B 214 7.315 -1.134 0.005 1.00 15.00 H new HETATM 0 H SEP B 214 9.707 -1.300 1.485 1.00 15.00 H new ATOM 595 N PRO B 215 7.138 -3.063 -1.703 1.00 15.00 N ATOM 596 CA PRO B 215 6.753 -4.285 -2.413 1.00 15.00 C ATOM 597 C PRO B 215 7.728 -4.597 -3.545 1.00 15.00 C ATOM 598 O PRO B 215 8.207 -3.693 -4.229 1.00 15.00 O ATOM 599 CB PRO B 215 5.465 -3.875 -3.127 1.00 15.00 C ATOM 600 CG PRO B 215 5.052 -2.618 -2.492 1.00 15.00 C ATOM 601 CD PRO B 215 6.323 -1.937 -2.105 1.00 15.00 C ATOM 0 HA PRO B 215 6.697 -5.132 -1.730 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.634 -3.739 -4.195 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.696 -4.640 -3.021 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.469 -2.003 -3.178 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.425 -2.805 -1.621 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.764 -1.387 -2.936 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.177 -1.225 -1.293 1.00 15.00 H new ATOM 609 N PHE B 216 8.028 -5.869 -3.741 1.00 15.00 N ATOM 610 CA PHE B 216 8.925 -6.270 -4.816 1.00 15.00 C ATOM 611 C PHE B 216 8.120 -6.832 -5.976 1.00 15.00 C ATOM 612 O PHE B 216 7.860 -6.140 -6.956 1.00 15.00 O ATOM 613 CB PHE B 216 9.940 -7.299 -4.316 1.00 15.00 C ATOM 614 CG PHE B 216 10.831 -6.776 -3.228 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.884 -5.927 -3.527 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.610 -7.126 -1.906 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.702 -5.437 -2.528 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.424 -6.639 -0.903 1.00 15.00 C ATOM 619 CZ PHE B 216 12.471 -5.795 -1.215 1.00 15.00 C ATOM 0 H PHE B 216 7.668 -6.638 -3.176 1.00 15.00 H new ATOM 0 HA PHE B 216 9.475 -5.394 -5.160 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.407 -8.176 -3.949 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.556 -7.628 -5.153 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.067 -5.645 -4.553 1.00 15.00 H new ATOM 0 HD2 PHE B 216 9.793 -7.787 -1.657 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.520 -4.776 -2.773 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.242 -6.918 0.124 1.00 15.00 H new ATOM 0 HZ PHE B 216 13.110 -5.415 -0.431 1.00 15.00 H new ATOM 629 N GLN B 217 7.688 -8.074 -5.834 1.00 15.00 N ATOM 630 CA GLN B 217 6.845 -8.713 -6.830 1.00 15.00 C ATOM 631 C GLN B 217 6.117 -9.896 -6.205 1.00 15.00 C ATOM 632 O GLN B 217 6.351 -11.049 -6.626 1.00 15.00 O ATOM 633 CB GLN B 217 7.670 -9.151 -8.050 1.00 15.00 C ATOM 634 CG GLN B 217 8.948 -9.904 -7.705 1.00 15.00 C ATOM 635 CD GLN B 217 9.701 -10.367 -8.936 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.477 -11.469 -9.435 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.594 -9.531 -9.436 1.00 15.00 N ATOM 638 OXT GLN B 217 5.347 -9.665 -5.254 1.00 15.00 O ATOM 0 H GLN B 217 7.910 -8.664 -5.032 1.00 15.00 H new ATOM 0 HA GLN B 217 6.105 -7.993 -7.179 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.050 -9.783 -8.685 1.00 15.00 H new ATOM 0 HB3 GLN B 217 7.929 -8.268 -8.635 1.00 15.00 H new ATOM 0 HG2 GLN B 217 9.595 -9.261 -7.108 1.00 15.00 H new ATOM 0 HG3 GLN B 217 8.701 -10.768 -7.088 1.00 15.00 H new ATOM 0 HE21 GLN B 217 10.750 -8.626 -8.992 1.00 15.00 H new ATOM 0 HE22 GLN B 217 11.127 -9.791 -10.266 1.00 15.00 H new TER 647 GLN B 217