USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 120:sc= -0.624 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.624 K(o=-1.2,f=0.93) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -2.63! K(o=-2.6!,f=-0.0064) USER MOD Set 2.2: A 256 GLN : amide:sc= -0.0207 K(o=-2.6,f=-1) USER MOD Set 3.1: A 249 GLN : amide:sc= -0.304 K(o=-0.69,f=-1.5) USER MOD Set 3.2: B 217 GLN : amide:sc= -0.388 K(o=-0.69,f=-3.9!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -3.84! K(o=-3.8!,f=-0.31) USER MOD Single : A 244 THR OG1 : rot 38:sc= 0.119 USER MOD Single : A 245 THR OG1 : rot 153:sc= -2.27! USER MOD Single : A 247 GLN : amide:sc= -0.83! C(o=-0.83!,f=-7.9!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.579 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 26:sc= 0.152 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -9.757 6.231 -5.102 1.00 15.00 N ATOM 2 CA GLU A 235 -9.591 6.414 -3.645 1.00 15.00 C ATOM 3 C GLU A 235 -9.981 5.140 -2.910 1.00 15.00 C ATOM 4 O GLU A 235 -10.964 4.488 -3.257 1.00 15.00 O ATOM 5 CB GLU A 235 -10.436 7.593 -3.165 1.00 15.00 C ATOM 6 CG GLU A 235 -10.149 8.873 -3.926 1.00 15.00 C ATOM 7 CD GLU A 235 -8.668 9.195 -3.977 1.00 15.00 C ATOM 8 OE1 GLU A 235 -7.952 8.571 -4.790 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -8.213 10.052 -3.198 1.00 15.00 O ATOM 0 HA GLU A 235 -8.544 6.629 -3.431 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.492 7.343 -3.269 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -10.251 7.758 -2.104 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -10.534 8.783 -4.942 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -10.682 9.699 -3.456 1.00 15.00 H new ATOM 18 N LEU A 236 -9.214 4.802 -1.885 1.00 15.00 N ATOM 19 CA LEU A 236 -9.400 3.551 -1.168 1.00 15.00 C ATOM 20 C LEU A 236 -10.350 3.752 0.009 1.00 15.00 C ATOM 21 O LEU A 236 -10.745 4.878 0.310 1.00 15.00 O ATOM 22 CB LEU A 236 -8.053 3.019 -0.633 1.00 15.00 C ATOM 23 CG LEU A 236 -6.880 2.974 -1.624 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.326 2.425 -2.966 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.246 4.348 -1.780 1.00 15.00 C ATOM 0 H LEU A 236 -8.453 5.381 -1.530 1.00 15.00 H new ATOM 0 HA LEU A 236 -9.822 2.828 -1.866 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -7.757 3.637 0.215 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.214 2.011 -0.252 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.124 2.301 -1.220 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.478 2.403 -3.650 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.713 1.414 -2.835 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.108 3.062 -3.378 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.418 4.289 -2.487 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -6.990 5.052 -2.151 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -5.874 4.689 -0.814 1.00 15.00 H new ATOM 37 N PRO A 237 -10.729 2.659 0.684 1.00 15.00 N ATOM 38 CA PRO A 237 -11.398 2.735 1.985 1.00 15.00 C ATOM 39 C PRO A 237 -10.457 3.229 3.056 1.00 15.00 C ATOM 40 O PRO A 237 -9.245 3.348 2.856 1.00 15.00 O ATOM 41 CB PRO A 237 -11.813 1.286 2.270 1.00 15.00 C ATOM 42 CG PRO A 237 -11.693 0.566 0.968 1.00 15.00 C ATOM 43 CD PRO A 237 -10.620 1.273 0.200 1.00 15.00 C ATOM 0 HA PRO A 237 -12.238 3.429 1.977 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.170 0.836 3.026 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.833 1.239 2.650 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.435 -0.481 1.124 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.638 0.584 0.424 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.635 0.851 0.400 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.782 1.207 -0.876 1.00 15.00 H new ATOM 51 N GLU A 238 -11.034 3.499 4.190 1.00 15.00 N ATOM 52 CA GLU A 238 -10.325 4.148 5.280 1.00 15.00 C ATOM 53 C GLU A 238 -9.276 3.216 5.882 1.00 15.00 C ATOM 54 O GLU A 238 -9.516 2.024 6.077 1.00 15.00 O ATOM 55 CB GLU A 238 -11.326 4.585 6.353 1.00 15.00 C ATOM 56 CG GLU A 238 -10.725 5.463 7.441 1.00 15.00 C ATOM 57 CD GLU A 238 -10.109 6.730 6.886 1.00 15.00 C ATOM 58 OE1 GLU A 238 -10.857 7.689 6.605 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -8.873 6.770 6.723 1.00 15.00 O ATOM 0 H GLU A 238 -12.009 3.280 4.396 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.809 5.024 4.888 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.143 5.125 5.874 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.758 3.697 6.815 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.499 5.724 8.162 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -9.964 4.899 7.981 1.00 15.00 H new ATOM 66 N GLY A 239 -8.114 3.782 6.191 1.00 15.00 N ATOM 67 CA GLY A 239 -7.041 3.010 6.783 1.00 15.00 C ATOM 68 C GLY A 239 -5.970 2.590 5.791 1.00 15.00 C ATOM 69 O GLY A 239 -4.985 1.963 6.182 1.00 15.00 O ATOM 0 H GLY A 239 -7.897 4.767 6.040 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.578 3.597 7.577 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.461 2.119 7.249 1.00 15.00 H new ATOM 73 N TYR A 240 -6.137 2.917 4.515 1.00 15.00 N ATOM 74 CA TYR A 240 -5.110 2.587 3.532 1.00 15.00 C ATOM 75 C TYR A 240 -4.203 3.775 3.267 1.00 15.00 C ATOM 76 O TYR A 240 -4.631 4.821 2.776 1.00 15.00 O ATOM 77 CB TYR A 240 -5.704 2.076 2.219 1.00 15.00 C ATOM 78 CG TYR A 240 -6.481 0.794 2.380 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.830 -0.410 2.600 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.860 0.791 2.320 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.540 -1.583 2.760 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.579 -0.372 2.482 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.918 -1.559 2.703 1.00 15.00 C ATOM 84 OH TYR A 240 -8.634 -2.723 2.860 1.00 15.00 O ATOM 0 H TYR A 240 -6.954 3.400 4.141 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.518 1.780 3.963 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.359 2.841 1.802 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.900 1.918 1.500 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.751 -0.431 2.647 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.385 1.718 2.143 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -6.020 -2.514 2.929 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.658 -0.353 2.436 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.592 -2.529 2.793 1.00 15.00 H new ATOM 94 N GLU A 241 -2.948 3.585 3.611 1.00 15.00 N ATOM 95 CA GLU A 241 -1.907 4.559 3.403 1.00 15.00 C ATOM 96 C GLU A 241 -1.276 4.335 2.033 1.00 15.00 C ATOM 97 O GLU A 241 -0.619 3.318 1.800 1.00 15.00 O ATOM 98 CB GLU A 241 -0.849 4.402 4.497 1.00 15.00 C ATOM 99 CG GLU A 241 -1.439 4.323 5.895 1.00 15.00 C ATOM 100 CD GLU A 241 -0.597 3.482 6.833 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.473 3.964 7.268 1.00 15.00 O ATOM 102 OE2 GLU A 241 -1.001 2.338 7.134 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.619 2.727 4.054 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.323 5.566 3.445 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.267 3.501 4.304 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.158 5.244 4.448 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.536 5.329 6.302 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -2.444 3.904 5.839 1.00 15.00 H new ATOM 109 N GLN A 242 -1.495 5.254 1.114 1.00 15.00 N ATOM 110 CA GLN A 242 -0.903 5.137 -0.205 1.00 15.00 C ATOM 111 C GLN A 242 0.453 5.823 -0.198 1.00 15.00 C ATOM 112 O GLN A 242 0.546 7.052 -0.179 1.00 15.00 O ATOM 113 CB GLN A 242 -1.834 5.726 -1.276 1.00 15.00 C ATOM 114 CG GLN A 242 -1.466 5.376 -2.717 1.00 15.00 C ATOM 115 CD GLN A 242 -0.390 6.270 -3.308 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.688 7.323 -3.869 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.861 5.853 -3.210 1.00 15.00 N ATOM 0 H GLN A 242 -2.073 6.083 1.253 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.763 4.085 -0.454 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.850 5.381 -1.082 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.841 6.811 -1.172 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -1.127 4.341 -2.755 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -2.360 5.441 -3.337 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.070 4.974 -2.737 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.617 6.411 -3.607 1.00 15.00 H new ATOM 126 N ARG A 243 1.501 5.021 -0.154 1.00 15.00 N ATOM 127 CA ARG A 243 2.854 5.549 -0.109 1.00 15.00 C ATOM 128 C ARG A 243 3.593 5.335 -1.413 1.00 15.00 C ATOM 129 O ARG A 243 3.382 4.350 -2.125 1.00 15.00 O ATOM 130 CB ARG A 243 3.652 4.958 1.052 1.00 15.00 C ATOM 131 CG ARG A 243 3.528 5.771 2.322 1.00 15.00 C ATOM 132 CD ARG A 243 4.308 5.165 3.478 1.00 15.00 C ATOM 133 NE ARG A 243 5.669 4.755 3.108 1.00 15.00 N ATOM 134 CZ ARG A 243 6.760 5.112 3.794 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.667 6.012 4.764 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 7.945 4.592 3.485 1.00 15.00 N ATOM 0 H ARG A 243 1.443 4.003 -0.148 1.00 15.00 H new ATOM 0 HA ARG A 243 2.758 6.623 0.050 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.309 3.941 1.242 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.703 4.893 0.769 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.886 6.784 2.138 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.477 5.849 2.599 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.362 5.890 4.290 1.00 15.00 H new ATOM 0 HD3 ARG A 243 3.766 4.299 3.859 1.00 15.00 H new ATOM 0 HE ARG A 243 5.788 4.166 2.284 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.764 6.431 4.986 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.499 6.285 5.288 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.023 3.919 2.723 1.00 15.00 H new ATOM 0 HH22 ARG A 243 8.775 4.867 4.010 1.00 15.00 H new ATOM 150 N THR A 244 4.478 6.267 -1.685 1.00 15.00 N ATOM 151 CA THR A 244 5.263 6.275 -2.901 1.00 15.00 C ATOM 152 C THR A 244 6.742 6.220 -2.559 1.00 15.00 C ATOM 153 O THR A 244 7.255 7.083 -1.848 1.00 15.00 O ATOM 154 CB THR A 244 4.977 7.537 -3.737 1.00 15.00 C ATOM 155 OG1 THR A 244 4.998 8.696 -2.890 1.00 15.00 O ATOM 156 CG2 THR A 244 3.632 7.440 -4.440 1.00 15.00 C ATOM 0 H THR A 244 4.676 7.050 -1.062 1.00 15.00 H new ATOM 0 HA THR A 244 4.987 5.400 -3.489 1.00 15.00 H new ATOM 0 HB THR A 244 5.753 7.623 -4.497 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.706 8.598 -2.219 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.459 8.346 -5.022 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.630 6.576 -5.105 1.00 15.00 H new ATOM 0 HG23 THR A 244 2.841 7.329 -3.698 1.00 15.00 H new ATOM 164 N THR A 245 7.415 5.202 -3.050 1.00 15.00 N ATOM 165 CA THR A 245 8.819 4.996 -2.743 1.00 15.00 C ATOM 166 C THR A 245 9.685 5.239 -3.966 1.00 15.00 C ATOM 167 O THR A 245 9.236 5.061 -5.101 1.00 15.00 O ATOM 168 CB THR A 245 9.074 3.577 -2.196 1.00 15.00 C ATOM 169 OG1 THR A 245 10.479 3.351 -2.008 1.00 15.00 O ATOM 170 CG2 THR A 245 8.502 2.526 -3.138 1.00 15.00 C ATOM 0 H THR A 245 7.012 4.498 -3.668 1.00 15.00 H new ATOM 0 HA THR A 245 9.089 5.717 -1.971 1.00 15.00 H new ATOM 0 HB THR A 245 8.573 3.494 -1.232 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.612 2.686 -1.300 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.693 1.532 -2.733 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.427 2.676 -3.241 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.976 2.617 -4.115 1.00 15.00 H new ATOM 178 N VAL A 246 10.918 5.677 -3.715 1.00 15.00 N ATOM 179 CA VAL A 246 11.924 5.886 -4.756 1.00 15.00 C ATOM 180 C VAL A 246 12.046 4.660 -5.661 1.00 15.00 C ATOM 181 O VAL A 246 12.468 4.763 -6.816 1.00 15.00 O ATOM 182 CB VAL A 246 13.296 6.197 -4.124 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.953 4.946 -3.555 1.00 15.00 C ATOM 184 CG2 VAL A 246 14.208 6.897 -5.120 1.00 15.00 C ATOM 0 H VAL A 246 11.250 5.899 -2.776 1.00 15.00 H new ATOM 0 HA VAL A 246 11.603 6.734 -5.360 1.00 15.00 H new ATOM 0 HB VAL A 246 13.125 6.877 -3.289 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.917 5.208 -3.119 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.312 4.516 -2.786 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.101 4.218 -4.353 1.00 15.00 H new ATOM 0 HG21 VAL A 246 15.169 7.105 -4.649 1.00 15.00 H new ATOM 0 HG22 VAL A 246 14.360 6.255 -5.988 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.749 7.833 -5.438 1.00 15.00 H new ATOM 194 N GLN A 247 11.664 3.506 -5.113 1.00 15.00 N ATOM 195 CA GLN A 247 11.621 2.248 -5.866 1.00 15.00 C ATOM 196 C GLN A 247 10.821 2.416 -7.162 1.00 15.00 C ATOM 197 O GLN A 247 11.039 1.698 -8.137 1.00 15.00 O ATOM 198 CB GLN A 247 11.009 1.114 -5.020 1.00 15.00 C ATOM 199 CG GLN A 247 11.612 0.940 -3.629 1.00 15.00 C ATOM 200 CD GLN A 247 13.131 0.783 -3.626 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.838 1.323 -4.474 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.646 0.030 -2.669 1.00 15.00 N ATOM 0 H GLN A 247 11.376 3.415 -4.139 1.00 15.00 H new ATOM 0 HA GLN A 247 12.648 1.981 -6.116 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.940 1.298 -4.914 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.118 0.177 -5.565 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.345 1.802 -3.018 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.166 0.065 -3.158 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.035 -0.406 -1.978 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.655 -0.115 -2.621 1.00 15.00 H new ATOM 211 N GLY A 248 9.885 3.363 -7.155 1.00 15.00 N ATOM 212 CA GLY A 248 9.146 3.694 -8.357 1.00 15.00 C ATOM 213 C GLY A 248 7.735 3.151 -8.354 1.00 15.00 C ATOM 214 O GLY A 248 7.036 3.228 -9.367 1.00 15.00 O ATOM 0 H GLY A 248 9.626 3.908 -6.333 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.112 4.778 -8.468 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.678 3.301 -9.223 1.00 15.00 H new ATOM 218 N GLN A 249 7.296 2.630 -7.219 1.00 15.00 N ATOM 219 CA GLN A 249 5.994 1.984 -7.146 1.00 15.00 C ATOM 220 C GLN A 249 5.090 2.595 -6.092 1.00 15.00 C ATOM 221 O GLN A 249 5.548 3.076 -5.051 1.00 15.00 O ATOM 222 CB GLN A 249 6.147 0.490 -6.861 1.00 15.00 C ATOM 223 CG GLN A 249 7.146 0.148 -5.768 1.00 15.00 C ATOM 224 CD GLN A 249 8.314 -0.662 -6.293 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.721 -0.511 -7.441 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.849 -1.536 -5.459 1.00 15.00 N ATOM 0 H GLN A 249 7.817 2.641 -6.342 1.00 15.00 H new ATOM 0 HA GLN A 249 5.527 2.137 -8.119 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.173 0.086 -6.583 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.450 -0.012 -7.780 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.518 1.068 -5.317 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.642 -0.412 -4.980 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.480 -1.630 -4.513 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.631 -2.117 -5.761 1.00 15.00 H new ATOM 235 N VAL A 250 3.795 2.543 -6.374 1.00 15.00 N ATOM 236 CA VAL A 250 2.774 2.813 -5.380 1.00 15.00 C ATOM 237 C VAL A 250 2.419 1.506 -4.691 1.00 15.00 C ATOM 238 O VAL A 250 2.232 0.484 -5.351 1.00 15.00 O ATOM 239 CB VAL A 250 1.490 3.418 -6.000 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.696 4.869 -6.394 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.032 2.604 -7.205 1.00 15.00 C ATOM 0 H VAL A 250 3.427 2.313 -7.297 1.00 15.00 H new ATOM 0 HA VAL A 250 3.173 3.543 -4.676 1.00 15.00 H new ATOM 0 HB VAL A 250 0.711 3.381 -5.238 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.776 5.263 -6.826 1.00 15.00 H new ATOM 0 HG12 VAL A 250 1.961 5.451 -5.512 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.499 4.936 -7.128 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.129 3.049 -7.623 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.817 2.600 -7.961 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.822 1.581 -6.894 1.00 15.00 H new ATOM 251 N TYR A 251 2.363 1.516 -3.378 1.00 15.00 N ATOM 252 CA TYR A 251 2.031 0.312 -2.647 1.00 15.00 C ATOM 253 C TYR A 251 1.013 0.623 -1.564 1.00 15.00 C ATOM 254 O TYR A 251 1.073 1.678 -0.923 1.00 15.00 O ATOM 255 CB TYR A 251 3.314 -0.347 -2.108 1.00 15.00 C ATOM 256 CG TYR A 251 4.197 0.519 -1.221 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.753 1.029 -0.006 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.510 0.787 -1.590 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.584 1.781 0.799 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.336 1.535 -0.792 1.00 15.00 C ATOM 261 CZ TYR A 251 5.873 2.032 0.403 1.00 15.00 C ATOM 262 OH TYR A 251 6.699 2.789 1.207 1.00 15.00 O ATOM 0 H TYR A 251 2.541 2.336 -2.798 1.00 15.00 H new ATOM 0 HA TYR A 251 1.563 -0.414 -3.312 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.031 -1.236 -1.545 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.908 -0.684 -2.957 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.740 0.833 0.313 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.887 0.398 -2.524 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.220 2.171 1.738 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.351 1.734 -1.102 1.00 15.00 H new ATOM 0 HH TYR A 251 7.579 2.873 0.784 1.00 15.00 H new ATOM 272 N PHE A 252 0.060 -0.279 -1.385 1.00 15.00 N ATOM 273 CA PHE A 252 -1.027 -0.042 -0.457 1.00 15.00 C ATOM 274 C PHE A 252 -0.694 -0.539 0.926 1.00 15.00 C ATOM 275 O PHE A 252 -0.558 -1.741 1.171 1.00 15.00 O ATOM 276 CB PHE A 252 -2.335 -0.638 -0.970 1.00 15.00 C ATOM 277 CG PHE A 252 -2.883 0.187 -2.102 1.00 15.00 C ATOM 278 CD1 PHE A 252 -3.037 1.558 -1.940 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.186 -0.376 -3.332 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.488 2.349 -2.979 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.626 0.414 -4.376 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.779 1.780 -4.200 1.00 15.00 C ATOM 0 H PHE A 252 0.020 -1.176 -1.869 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.166 1.037 -0.385 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.168 -1.661 -1.306 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.063 -0.683 -0.160 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.801 2.012 -0.989 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.077 -1.441 -3.475 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.612 3.412 -2.835 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.851 -0.034 -5.332 1.00 15.00 H new ATOM 0 HZ PHE A 252 -4.125 2.396 -5.017 1.00 15.00 H new ATOM 292 N LEU A 253 -0.540 0.421 1.809 1.00 15.00 N ATOM 293 CA LEU A 253 -0.242 0.164 3.192 1.00 15.00 C ATOM 294 C LEU A 253 -1.516 0.263 4.002 1.00 15.00 C ATOM 295 O LEU A 253 -2.364 1.099 3.736 1.00 15.00 O ATOM 296 CB LEU A 253 0.764 1.194 3.686 1.00 15.00 C ATOM 297 CG LEU A 253 2.019 0.637 4.344 1.00 15.00 C ATOM 298 CD1 LEU A 253 2.994 1.766 4.589 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.693 -0.062 5.652 1.00 15.00 C ATOM 0 H LEU A 253 -0.620 1.412 1.581 1.00 15.00 H new ATOM 0 HA LEU A 253 0.179 -0.835 3.303 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.065 1.814 2.841 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.264 1.849 4.399 1.00 15.00 H new ATOM 0 HG LEU A 253 2.464 -0.100 3.676 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.895 1.373 5.060 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.255 2.233 3.640 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.536 2.507 5.244 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.610 -0.448 6.097 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.228 0.647 6.337 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.006 -0.887 5.462 1.00 15.00 H new ATOM 311 N HIS A 254 -1.663 -0.608 4.960 1.00 15.00 N ATOM 312 CA HIS A 254 -2.735 -0.496 5.926 1.00 15.00 C ATOM 313 C HIS A 254 -2.268 -1.092 7.220 1.00 15.00 C ATOM 314 O HIS A 254 -2.359 -2.312 7.405 1.00 15.00 O ATOM 315 CB HIS A 254 -4.018 -1.200 5.438 1.00 15.00 C ATOM 316 CG HIS A 254 -5.045 -1.461 6.510 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.320 -2.726 6.987 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.853 -0.622 7.200 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.248 -2.653 7.925 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.589 -1.386 8.073 1.00 15.00 N ATOM 0 H HIS A 254 -1.051 -1.412 5.099 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.984 0.556 6.062 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.475 -0.591 4.658 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -3.742 -2.150 4.980 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.909 0.450 7.085 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.657 -3.487 8.476 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.286 -1.032 8.729 1.00 15.00 H new ATOM 329 N THR A 255 -1.724 -0.296 8.117 1.00 15.00 N ATOM 330 CA THR A 255 -1.293 -0.911 9.335 1.00 15.00 C ATOM 331 C THR A 255 -2.417 -0.904 10.356 1.00 15.00 C ATOM 332 O THR A 255 -2.608 0.023 11.141 1.00 15.00 O ATOM 333 CB THR A 255 -0.023 -0.230 9.912 1.00 15.00 C ATOM 334 OG1 THR A 255 0.259 -0.737 11.222 1.00 15.00 O ATOM 335 CG2 THR A 255 -0.166 1.286 9.967 1.00 15.00 C ATOM 0 H THR A 255 -1.580 0.710 8.031 1.00 15.00 H new ATOM 0 HA THR A 255 -1.029 -1.944 9.107 1.00 15.00 H new ATOM 0 HB THR A 255 0.805 -0.464 9.242 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.063 -0.302 11.575 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.745 1.723 10.377 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.333 1.672 8.962 1.00 15.00 H new ATOM 0 HG23 THR A 255 -1.012 1.549 10.602 1.00 15.00 H new ATOM 343 N GLN A 256 -3.199 -1.959 10.260 1.00 15.00 N ATOM 344 CA GLN A 256 -3.874 -2.576 11.372 1.00 15.00 C ATOM 345 C GLN A 256 -3.056 -3.795 11.722 1.00 15.00 C ATOM 346 O GLN A 256 -2.617 -4.001 12.848 1.00 15.00 O ATOM 347 CB GLN A 256 -5.295 -2.968 10.978 1.00 15.00 C ATOM 348 CG GLN A 256 -6.084 -3.678 12.069 1.00 15.00 C ATOM 349 CD GLN A 256 -7.430 -4.168 11.572 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.583 -4.502 10.396 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.414 -4.204 12.456 1.00 15.00 N ATOM 0 H GLN A 256 -3.386 -2.424 9.371 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.959 -1.899 12.222 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.837 -2.069 10.683 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.249 -3.615 10.102 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.506 -4.524 12.442 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.233 -2.999 12.908 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.244 -3.918 13.420 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.343 -4.517 12.173 1.00 15.00 H new ATOM 360 N THR A 257 -2.867 -4.593 10.670 1.00 15.00 N ATOM 361 CA THR A 257 -2.140 -5.844 10.721 1.00 15.00 C ATOM 362 C THR A 257 -0.747 -5.709 10.218 1.00 15.00 C ATOM 363 O THR A 257 0.148 -6.529 10.411 1.00 15.00 O ATOM 364 CB THR A 257 -2.914 -6.968 10.009 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.118 -6.605 8.634 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.272 -7.181 10.661 1.00 15.00 C ATOM 0 H THR A 257 -3.227 -4.374 9.741 1.00 15.00 H new ATOM 0 HA THR A 257 -2.054 -6.126 11.770 1.00 15.00 H new ATOM 0 HB THR A 257 -2.334 -7.888 10.081 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.609 -7.319 8.177 1.00 15.00 H new ATOM 0 HG21 THR A 257 -4.803 -7.980 10.143 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.134 -7.456 11.707 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.853 -6.261 10.601 1.00 15.00 H new ATOM 374 N GLY A 258 -0.646 -4.621 9.623 1.00 15.00 N ATOM 375 CA GLY A 258 0.512 -4.226 8.838 1.00 15.00 C ATOM 376 C GLY A 258 0.449 -4.727 7.403 1.00 15.00 C ATOM 377 O GLY A 258 1.178 -5.644 7.027 1.00 15.00 O ATOM 0 H GLY A 258 -1.380 -3.913 9.642 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.590 -3.139 8.836 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.415 -4.609 9.313 1.00 15.00 H new ATOM 381 N VAL A 259 -0.431 -4.135 6.601 1.00 15.00 N ATOM 382 CA VAL A 259 -0.550 -4.513 5.188 1.00 15.00 C ATOM 383 C VAL A 259 0.365 -3.703 4.285 1.00 15.00 C ATOM 384 O VAL A 259 0.458 -2.487 4.393 1.00 15.00 O ATOM 385 CB VAL A 259 -1.997 -4.371 4.645 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.054 -4.652 3.149 1.00 15.00 C ATOM 387 CG2 VAL A 259 -2.917 -5.324 5.370 1.00 15.00 C ATOM 0 H VAL A 259 -1.069 -3.397 6.898 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.254 -5.562 5.166 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.320 -3.344 4.817 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.080 -4.545 2.797 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.414 -3.945 2.621 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.709 -5.668 2.956 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -3.930 -5.217 4.982 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.575 -6.348 5.216 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -2.910 -5.096 6.436 1.00 15.00 H new ATOM 397 N SER A 260 1.024 -4.418 3.396 1.00 15.00 N ATOM 398 CA SER A 260 1.756 -3.828 2.278 1.00 15.00 C ATOM 399 C SER A 260 1.626 -4.755 1.080 1.00 15.00 C ATOM 400 O SER A 260 2.232 -5.825 1.045 1.00 15.00 O ATOM 401 CB SER A 260 3.235 -3.587 2.615 1.00 15.00 C ATOM 402 OG SER A 260 3.736 -4.600 3.476 1.00 15.00 O ATOM 0 H SER A 260 1.071 -5.437 3.424 1.00 15.00 H new ATOM 0 HA SER A 260 1.327 -2.851 2.054 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.821 -3.564 1.696 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.349 -2.613 3.090 1.00 15.00 H new ATOM 0 HG SER A 260 4.680 -4.424 3.674 1.00 15.00 H new ATOM 408 N THR A 261 0.803 -4.369 0.124 1.00 15.00 N ATOM 409 CA THR A 261 0.442 -5.271 -0.953 1.00 15.00 C ATOM 410 C THR A 261 0.353 -4.560 -2.299 1.00 15.00 C ATOM 411 O THR A 261 0.068 -3.360 -2.368 1.00 15.00 O ATOM 412 CB THR A 261 -0.892 -5.983 -0.653 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.195 -6.915 -1.698 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.030 -4.983 -0.513 1.00 15.00 C ATOM 0 H THR A 261 0.375 -3.445 0.071 1.00 15.00 H new ATOM 0 HA THR A 261 1.240 -6.011 -1.017 1.00 15.00 H new ATOM 0 HB THR A 261 -0.785 -6.515 0.292 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.258 -7.818 -1.323 1.00 15.00 H new ATOM 0 HG21 THR A 261 -2.958 -5.515 -0.302 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.812 -4.295 0.304 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.137 -4.421 -1.441 1.00 15.00 H new ATOM 422 N TRP A 262 0.640 -5.311 -3.360 1.00 15.00 N ATOM 423 CA TRP A 262 0.543 -4.804 -4.724 1.00 15.00 C ATOM 424 C TRP A 262 -0.900 -4.540 -5.143 1.00 15.00 C ATOM 425 O TRP A 262 -1.152 -3.720 -6.024 1.00 15.00 O ATOM 426 CB TRP A 262 1.156 -5.795 -5.714 1.00 15.00 C ATOM 427 CG TRP A 262 2.633 -5.649 -5.903 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.570 -6.632 -5.849 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.354 -4.450 -6.105 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.798 -6.150 -6.124 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.707 -4.817 -6.258 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.003 -3.104 -6.196 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.693 -3.906 -6.485 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.009 -2.193 -6.392 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.328 -2.616 -6.534 1.00 15.00 C ATOM 0 H TRP A 262 0.945 -6.282 -3.298 1.00 15.00 H new ATOM 0 HA TRP A 262 1.091 -3.862 -4.739 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.944 -6.808 -5.373 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.665 -5.675 -6.680 1.00 15.00 H new ATOM 0 HD1 TRP A 262 3.358 -7.665 -5.616 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.650 -6.703 -6.215 1.00 15.00 H new ATOM 0 HE3 TRP A 262 1.973 -2.789 -6.115 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.721 -4.208 -6.619 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 3.776 -1.139 -6.437 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.093 -1.870 -6.691 1.00 15.00 H new ATOM 446 N HIS A 263 -1.845 -5.256 -4.551 1.00 15.00 N ATOM 447 CA HIS A 263 -3.223 -5.171 -5.012 1.00 15.00 C ATOM 448 C HIS A 263 -3.948 -4.006 -4.354 1.00 15.00 C ATOM 449 O HIS A 263 -3.872 -3.811 -3.140 1.00 15.00 O ATOM 450 CB HIS A 263 -3.982 -6.496 -4.772 1.00 15.00 C ATOM 451 CG HIS A 263 -4.610 -6.638 -3.410 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.885 -6.195 -3.120 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.133 -7.170 -2.261 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.158 -6.448 -1.854 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.114 -7.043 -1.308 1.00 15.00 N ATOM 0 H HIS A 263 -1.689 -5.890 -3.767 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.198 -4.993 -6.087 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.763 -6.590 -5.526 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.291 -7.325 -4.924 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.517 -5.743 -3.781 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.159 -7.614 -2.119 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.082 -6.208 -1.349 1.00 15.00 H new ATOM 464 N ASP A 264 -4.639 -3.234 -5.171 1.00 15.00 N ATOM 465 CA ASP A 264 -5.526 -2.194 -4.678 1.00 15.00 C ATOM 466 C ASP A 264 -6.667 -2.854 -3.907 1.00 15.00 C ATOM 467 O ASP A 264 -7.313 -3.772 -4.405 1.00 15.00 O ATOM 468 CB ASP A 264 -6.056 -1.371 -5.858 1.00 15.00 C ATOM 469 CG ASP A 264 -6.829 -0.135 -5.448 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.667 -0.225 -4.535 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.606 0.936 -6.055 1.00 15.00 O ATOM 0 H ASP A 264 -4.603 -3.308 -6.188 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.992 -1.518 -4.010 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.216 -1.071 -6.485 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.700 -2.004 -6.469 1.00 15.00 H new ATOM 476 N PRO A 265 -6.903 -2.442 -2.660 1.00 15.00 N ATOM 477 CA PRO A 265 -7.932 -3.036 -1.818 1.00 15.00 C ATOM 478 C PRO A 265 -9.323 -2.519 -2.119 1.00 15.00 C ATOM 479 O PRO A 265 -10.319 -3.079 -1.657 1.00 15.00 O ATOM 480 CB PRO A 265 -7.509 -2.678 -0.394 1.00 15.00 C ATOM 481 CG PRO A 265 -6.247 -1.878 -0.524 1.00 15.00 C ATOM 482 CD PRO A 265 -6.180 -1.393 -1.944 1.00 15.00 C ATOM 0 HA PRO A 265 -8.003 -4.110 -1.987 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.285 -2.102 0.110 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.342 -3.576 0.200 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -6.249 -1.038 0.171 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.377 -2.488 -0.283 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.652 -0.418 -2.064 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.152 -1.295 -2.293 1.00 15.00 H new ATOM 490 N ARG A 266 -9.388 -1.425 -2.849 1.00 15.00 N ATOM 491 CA ARG A 266 -10.652 -0.905 -3.322 1.00 15.00 C ATOM 492 C ARG A 266 -11.122 -1.765 -4.475 1.00 15.00 C ATOM 493 O ARG A 266 -12.267 -1.683 -4.922 1.00 15.00 O ATOM 494 CB ARG A 266 -10.465 0.525 -3.782 1.00 15.00 C ATOM 495 CG ARG A 266 -11.758 1.298 -3.994 1.00 15.00 C ATOM 496 CD ARG A 266 -12.491 1.566 -2.691 1.00 15.00 C ATOM 497 NE ARG A 266 -13.654 2.426 -2.899 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.126 3.278 -1.992 1.00 15.00 C ATOM 499 NH1 ARG A 266 -13.569 3.355 -0.791 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.160 4.054 -2.289 1.00 15.00 N ATOM 0 H ARG A 266 -8.575 -0.877 -3.128 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.394 -0.923 -2.524 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -9.858 1.053 -3.046 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -9.902 0.522 -4.716 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.536 2.246 -4.484 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.408 0.737 -4.665 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.810 0.621 -2.250 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -11.812 2.036 -1.980 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.135 2.370 -3.797 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -12.774 2.759 -0.558 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -13.935 4.010 -0.100 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -15.592 3.997 -3.211 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -15.523 4.708 -1.595 1.00 15.00 H new ATOM 514 N ILE A 267 -10.202 -2.583 -4.954 1.00 15.00 N ATOM 515 CA ILE A 267 -10.501 -3.502 -6.044 1.00 15.00 C ATOM 516 C ILE A 267 -10.296 -4.950 -5.603 1.00 15.00 C ATOM 517 O ILE A 267 -11.140 -5.450 -4.831 1.00 15.00 O ATOM 518 CB ILE A 267 -9.690 -3.208 -7.340 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.172 -3.160 -7.100 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.155 -1.897 -7.957 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.358 -3.292 -8.374 1.00 15.00 C ATOM 522 OXT ILE A 267 -9.316 -5.590 -6.032 1.00 15.00 O ATOM 0 H ILE A 267 -9.244 -2.632 -4.608 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.550 -3.346 -6.293 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.879 -4.035 -8.025 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.918 -2.220 -6.611 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.894 -3.961 -6.415 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.583 -1.698 -8.863 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.214 -1.967 -8.205 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.001 -1.085 -7.246 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.296 -3.250 -8.133 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.584 -4.245 -8.853 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.609 -2.476 -9.052 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.322 3.610 12.786 1.00 15.00 N ATOM 536 CA SER B 210 8.222 2.907 12.100 1.00 15.00 C ATOM 537 C SER B 210 8.521 2.798 10.610 1.00 15.00 C ATOM 538 O SER B 210 8.457 3.784 9.876 1.00 15.00 O ATOM 539 CB SER B 210 6.910 3.656 12.332 1.00 15.00 C ATOM 540 OG SER B 210 6.677 3.852 13.719 1.00 15.00 O ATOM 0 HA SER B 210 8.128 1.900 12.506 1.00 15.00 H new ATOM 0 HB2 SER B 210 6.942 4.620 11.825 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.084 3.094 11.896 1.00 15.00 H new ATOM 0 HG SER B 210 7.533 3.860 14.197 1.00 15.00 H new ATOM 548 N ASP B 211 8.871 1.600 10.168 1.00 15.00 N ATOM 549 CA ASP B 211 9.259 1.385 8.783 1.00 15.00 C ATOM 550 C ASP B 211 8.327 0.388 8.106 1.00 15.00 C ATOM 551 O ASP B 211 8.096 -0.715 8.607 1.00 15.00 O ATOM 552 CB ASP B 211 10.720 0.913 8.692 1.00 15.00 C ATOM 553 CG ASP B 211 10.960 -0.457 9.300 1.00 15.00 C ATOM 554 OD1 ASP B 211 10.941 -0.575 10.544 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.186 -1.418 8.537 1.00 15.00 O1- ATOM 0 H ASP B 211 8.894 0.762 10.749 1.00 15.00 H new ATOM 0 HA ASP B 211 9.176 2.337 8.258 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.021 0.893 7.645 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.359 1.640 9.194 1.00 15.00 H new ATOM 560 N PRO B 212 7.765 0.779 6.958 1.00 15.00 N ATOM 561 CA PRO B 212 6.855 -0.055 6.187 1.00 15.00 C ATOM 562 C PRO B 212 7.585 -0.920 5.172 1.00 15.00 C ATOM 563 O PRO B 212 8.681 -0.580 4.722 1.00 15.00 O ATOM 564 CB PRO B 212 5.980 0.968 5.454 1.00 15.00 C ATOM 565 CG PRO B 212 6.571 2.318 5.735 1.00 15.00 C ATOM 566 CD PRO B 212 7.934 2.082 6.322 1.00 15.00 C ATOM 0 HA PRO B 212 6.303 -0.748 6.823 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.964 0.767 4.383 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.949 0.916 5.803 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.641 2.907 4.821 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.943 2.878 6.428 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.711 2.066 5.558 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.209 2.855 7.040 1.00 15.00 H new ATOM 574 N GLY B 213 6.954 -2.015 4.785 1.00 15.00 N ATOM 575 CA GLY B 213 7.562 -2.917 3.839 1.00 15.00 C ATOM 576 C GLY B 213 7.222 -2.566 2.408 1.00 15.00 C ATOM 577 O GLY B 213 6.127 -2.080 2.116 1.00 15.00 O ATOM 0 H GLY B 213 6.029 -2.294 5.111 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.644 -2.899 3.967 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.233 -3.935 4.049 1.00 15.00 H new HETATM 581 N SEP B 214 8.174 -2.793 1.525 1.00 15.00 N HETATM 582 CA SEP B 214 8.002 -2.542 0.111 1.00 15.00 C HETATM 583 CB SEP B 214 9.323 -2.093 -0.526 1.00 15.00 C HETATM 584 OG SEP B 214 10.431 -2.727 0.083 1.00 15.00 O HETATM 585 C SEP B 214 7.454 -3.773 -0.613 1.00 15.00 C HETATM 586 O SEP B 214 7.545 -4.904 -0.129 1.00 15.00 O HETATM 587 P SEP B 214 11.957 -2.233 -0.132 1.00 15.00 P HETATM 588 O1P SEP B 214 11.947 -1.053 -1.001 1.00 15.00 O HETATM 589 O2P SEP B 214 12.724 -3.321 -0.752 1.00 15.00 O HETATM 590 O3P SEP B 214 12.520 -1.888 1.176 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.311 -2.322 -1.592 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.424 -1.012 -0.433 1.00 15.00 H new HETATM 0 HA SEP B 214 7.273 -1.738 0.007 1.00 15.00 H new HETATM 0 H SEP B 214 9.088 -2.663 1.959 1.00 15.00 H new ATOM 595 N PRO B 215 6.891 -3.543 -1.796 1.00 15.00 N ATOM 596 CA PRO B 215 6.381 -4.600 -2.666 1.00 15.00 C ATOM 597 C PRO B 215 7.474 -5.131 -3.582 1.00 15.00 C ATOM 598 O PRO B 215 8.240 -4.357 -4.159 1.00 15.00 O ATOM 599 CB PRO B 215 5.427 -3.863 -3.599 1.00 15.00 C ATOM 600 CG PRO B 215 5.356 -2.456 -3.129 1.00 15.00 C ATOM 601 CD PRO B 215 6.561 -2.216 -2.285 1.00 15.00 C ATOM 0 HA PRO B 215 5.961 -5.416 -2.078 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.783 -3.908 -4.628 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.440 -4.325 -3.583 1.00 15.00 H new ATOM 0 HG2 PRO B 215 5.334 -1.768 -3.974 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.444 -2.286 -2.556 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.378 -1.785 -2.863 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.350 -1.526 -1.468 1.00 15.00 H new ATOM 609 N PHE B 216 7.536 -6.446 -3.721 1.00 15.00 N ATOM 610 CA PHE B 216 8.547 -7.075 -4.554 1.00 15.00 C ATOM 611 C PHE B 216 8.037 -7.224 -5.982 1.00 15.00 C ATOM 612 O PHE B 216 7.044 -7.916 -6.228 1.00 15.00 O ATOM 613 CB PHE B 216 8.928 -8.446 -3.984 1.00 15.00 C ATOM 614 CG PHE B 216 9.318 -8.401 -2.535 1.00 15.00 C ATOM 615 CD1 PHE B 216 10.554 -7.911 -2.153 1.00 15.00 C ATOM 616 CD2 PHE B 216 8.439 -8.833 -1.557 1.00 15.00 C ATOM 617 CE1 PHE B 216 10.907 -7.858 -0.820 1.00 15.00 C ATOM 618 CE2 PHE B 216 8.785 -8.781 -0.223 1.00 15.00 C ATOM 619 CZ PHE B 216 10.020 -8.292 0.146 1.00 15.00 C ATOM 0 H PHE B 216 6.897 -7.099 -3.267 1.00 15.00 H new ATOM 0 HA PHE B 216 9.433 -6.441 -4.563 1.00 15.00 H new ATOM 0 HB2 PHE B 216 8.087 -9.128 -4.105 1.00 15.00 H new ATOM 0 HB3 PHE B 216 9.756 -8.855 -4.563 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.249 -7.567 -2.905 1.00 15.00 H new ATOM 0 HD2 PHE B 216 7.470 -9.216 -1.842 1.00 15.00 H new ATOM 0 HE1 PHE B 216 11.876 -7.478 -0.532 1.00 15.00 H new ATOM 0 HE2 PHE B 216 8.090 -9.122 0.530 1.00 15.00 H new ATOM 0 HZ PHE B 216 10.294 -8.248 1.190 1.00 15.00 H new ATOM 629 N GLN B 217 8.689 -6.548 -6.911 1.00 15.00 N ATOM 630 CA GLN B 217 8.301 -6.613 -8.311 1.00 15.00 C ATOM 631 C GLN B 217 9.311 -7.433 -9.106 1.00 15.00 C ATOM 632 O GLN B 217 8.889 -8.241 -9.954 1.00 15.00 O ATOM 633 CB GLN B 217 8.135 -5.204 -8.910 1.00 15.00 C ATOM 634 CG GLN B 217 9.436 -4.458 -9.207 1.00 15.00 C ATOM 635 CD GLN B 217 10.244 -4.116 -7.968 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.700 -3.914 -6.883 1.00 15.00 O ATOM 637 NE2 GLN B 217 11.555 -4.043 -8.125 1.00 15.00 N ATOM 638 OXT GLN B 217 10.527 -7.295 -8.852 1.00 15.00 O ATOM 0 H GLN B 217 9.491 -5.947 -6.722 1.00 15.00 H new ATOM 0 HA GLN B 217 7.333 -7.110 -8.373 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.564 -5.286 -9.835 1.00 15.00 H new ATOM 0 HB3 GLN B 217 7.541 -4.603 -8.221 1.00 15.00 H new ATOM 0 HG2 GLN B 217 10.049 -5.066 -9.872 1.00 15.00 H new ATOM 0 HG3 GLN B 217 9.202 -3.538 -9.742 1.00 15.00 H new ATOM 0 HE21 GLN B 217 11.969 -4.217 -9.041 1.00 15.00 H new ATOM 0 HE22 GLN B 217 12.152 -3.813 -7.331 1.00 15.00 H new TER 647 GLN B 217