USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=9 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 150:sc= -0.745 USER MOD Set 1.2: A 263 HIS : no HD1:sc= -0.891 X(o=-1.6,f=-1.2!) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.48) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 244 THR OG1 : rot 48:sc= 0.335 USER MOD Single : A 245 THR OG1 : rot 166:sc= -1.75! USER MOD Single : A 247 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.4) USER MOD Single : A 249 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.9!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot -38:sc= 0.193 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -9.590 5.729 -5.348 1.00 15.00 N ATOM 2 CA GLU A 235 -10.164 6.063 -4.022 1.00 15.00 C ATOM 3 C GLU A 235 -10.224 4.811 -3.163 1.00 15.00 C ATOM 4 O GLU A 235 -10.846 3.822 -3.544 1.00 15.00 O ATOM 5 CB GLU A 235 -11.574 6.657 -4.166 1.00 15.00 C ATOM 6 CG GLU A 235 -11.614 8.041 -4.799 1.00 15.00 C ATOM 7 CD GLU A 235 -11.027 8.062 -6.191 1.00 15.00 C ATOM 8 OE1 GLU A 235 -11.740 7.715 -7.153 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -9.830 8.371 -6.317 1.00 15.00 O ATOM 0 HA GLU A 235 -9.524 6.807 -3.548 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.181 5.979 -4.766 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.035 6.709 -3.180 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -12.646 8.388 -4.839 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -11.067 8.741 -4.168 1.00 15.00 H new ATOM 18 N LEU A 236 -9.584 4.855 -2.005 1.00 15.00 N ATOM 19 CA LEU A 236 -9.482 3.682 -1.148 1.00 15.00 C ATOM 20 C LEU A 236 -10.549 3.727 -0.070 1.00 15.00 C ATOM 21 O LEU A 236 -11.112 4.784 0.227 1.00 15.00 O ATOM 22 CB LEU A 236 -8.110 3.582 -0.442 1.00 15.00 C ATOM 23 CG LEU A 236 -6.868 4.014 -1.229 1.00 15.00 C ATOM 24 CD1 LEU A 236 -6.857 3.416 -2.625 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.780 5.525 -1.281 1.00 15.00 C ATOM 0 H LEU A 236 -9.127 5.689 -1.636 1.00 15.00 H new ATOM 0 HA LEU A 236 -9.610 2.816 -1.798 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.156 4.182 0.467 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -7.967 2.547 -0.133 1.00 15.00 H new ATOM 0 HG LEU A 236 -5.988 3.634 -0.710 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.962 3.744 -3.154 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -6.859 2.328 -2.555 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -7.742 3.746 -3.169 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.893 5.819 -1.843 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.668 5.925 -1.770 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.715 5.921 -0.267 1.00 15.00 H new ATOM 37 N PRO A 237 -10.824 2.570 0.530 1.00 15.00 N ATOM 38 CA PRO A 237 -11.595 2.483 1.764 1.00 15.00 C ATOM 39 C PRO A 237 -10.809 3.036 2.927 1.00 15.00 C ATOM 40 O PRO A 237 -9.637 3.401 2.810 1.00 15.00 O ATOM 41 CB PRO A 237 -11.853 0.978 1.946 1.00 15.00 C ATOM 42 CG PRO A 237 -11.416 0.325 0.672 1.00 15.00 C ATOM 43 CD PRO A 237 -10.428 1.252 0.026 1.00 15.00 C ATOM 0 HA PRO A 237 -12.518 3.061 1.719 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.294 0.587 2.796 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.908 0.784 2.141 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -10.962 -0.646 0.871 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.268 0.150 0.015 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.403 1.006 0.305 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.483 1.204 -1.062 1.00 15.00 H new ATOM 51 N GLU A 238 -11.474 3.089 4.039 1.00 15.00 N ATOM 52 CA GLU A 238 -10.920 3.684 5.246 1.00 15.00 C ATOM 53 C GLU A 238 -9.788 2.833 5.823 1.00 15.00 C ATOM 54 O GLU A 238 -9.950 1.636 6.071 1.00 15.00 O ATOM 55 CB GLU A 238 -12.029 3.844 6.285 1.00 15.00 C ATOM 56 CG GLU A 238 -11.577 4.502 7.577 1.00 15.00 C ATOM 57 CD GLU A 238 -12.712 4.658 8.562 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.663 5.409 8.258 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -12.666 4.030 9.640 1.00 15.00 O ATOM 0 H GLU A 238 -12.420 2.724 4.150 1.00 15.00 H new ATOM 0 HA GLU A 238 -10.505 4.658 4.988 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.836 4.435 5.852 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -12.441 2.862 6.515 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -10.784 3.906 8.029 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -11.152 5.481 7.356 1.00 15.00 H new ATOM 66 N GLY A 239 -8.642 3.478 6.039 1.00 15.00 N ATOM 67 CA GLY A 239 -7.499 2.815 6.639 1.00 15.00 C ATOM 68 C GLY A 239 -6.455 2.379 5.628 1.00 15.00 C ATOM 69 O GLY A 239 -6.013 1.235 5.656 1.00 15.00 O ATOM 0 H GLY A 239 -8.487 4.459 5.805 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -7.036 3.488 7.361 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.844 1.942 7.193 1.00 15.00 H new ATOM 73 N TYR A 240 -6.048 3.278 4.732 1.00 15.00 N ATOM 74 CA TYR A 240 -4.988 2.964 3.770 1.00 15.00 C ATOM 75 C TYR A 240 -4.090 4.160 3.522 1.00 15.00 C ATOM 76 O TYR A 240 -4.550 5.234 3.133 1.00 15.00 O ATOM 77 CB TYR A 240 -5.559 2.471 2.434 1.00 15.00 C ATOM 78 CG TYR A 240 -6.301 1.169 2.559 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.619 -0.003 2.831 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.679 1.114 2.449 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.291 -1.197 2.986 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.360 -0.071 2.610 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.663 -1.227 2.879 1.00 15.00 C ATOM 84 OH TYR A 240 -8.337 -2.416 3.045 1.00 15.00 O ATOM 0 H TYR A 240 -6.430 4.220 4.651 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.397 2.163 4.214 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.231 3.229 2.030 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.745 2.352 1.719 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.543 0.017 2.923 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.230 2.017 2.233 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.743 -2.105 3.191 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.436 -0.094 2.526 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.299 -2.264 2.939 1.00 15.00 H new ATOM 94 N GLU A 241 -2.804 3.958 3.748 1.00 15.00 N ATOM 95 CA GLU A 241 -1.797 4.963 3.463 1.00 15.00 C ATOM 96 C GLU A 241 -1.120 4.632 2.133 1.00 15.00 C ATOM 97 O GLU A 241 -0.589 3.533 1.963 1.00 15.00 O ATOM 98 CB GLU A 241 -0.745 4.988 4.578 1.00 15.00 C ATOM 99 CG GLU A 241 -1.316 5.039 5.989 1.00 15.00 C ATOM 100 CD GLU A 241 -2.108 6.300 6.270 1.00 15.00 C ATOM 101 OE1 GLU A 241 -1.530 7.406 6.185 1.00 15.00 O ATOM 102 OE2 GLU A 241 -3.306 6.191 6.599 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.429 3.092 4.135 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.274 5.941 3.404 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.117 4.102 4.486 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.099 5.853 4.430 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.959 4.172 6.145 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -0.499 4.964 6.707 1.00 15.00 H new ATOM 109 N GLN A 242 -1.132 5.565 1.192 1.00 15.00 N ATOM 110 CA GLN A 242 -0.512 5.326 -0.104 1.00 15.00 C ATOM 111 C GLN A 242 0.946 5.766 -0.058 1.00 15.00 C ATOM 112 O GLN A 242 1.245 6.953 0.060 1.00 15.00 O ATOM 113 CB GLN A 242 -1.257 6.066 -1.218 1.00 15.00 C ATOM 114 CG GLN A 242 -1.053 5.456 -2.602 1.00 15.00 C ATOM 115 CD GLN A 242 -1.598 6.318 -3.725 1.00 15.00 C ATOM 116 OE1 GLN A 242 -1.641 7.544 -3.627 1.00 15.00 O ATOM 117 NE2 GLN A 242 -2.018 5.679 -4.807 1.00 15.00 N ATOM 0 H GLN A 242 -1.559 6.485 1.299 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.563 4.259 -0.323 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.322 6.074 -0.988 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -0.927 7.105 -1.236 1.00 15.00 H new ATOM 0 HG2 GLN A 242 0.012 5.290 -2.765 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.536 4.480 -2.636 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -1.966 4.661 -4.851 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -2.393 6.205 -5.596 1.00 15.00 H new ATOM 126 N ARG A 243 1.846 4.798 -0.113 1.00 15.00 N ATOM 127 CA ARG A 243 3.277 5.078 -0.029 1.00 15.00 C ATOM 128 C ARG A 243 3.940 5.242 -1.371 1.00 15.00 C ATOM 129 O ARG A 243 3.568 4.620 -2.367 1.00 15.00 O ATOM 130 CB ARG A 243 4.027 4.026 0.775 1.00 15.00 C ATOM 131 CG ARG A 243 4.130 4.352 2.243 1.00 15.00 C ATOM 132 CD ARG A 243 2.784 4.654 2.875 1.00 15.00 C ATOM 133 NE ARG A 243 2.922 5.036 4.279 1.00 15.00 N ATOM 134 CZ ARG A 243 2.451 6.170 4.796 1.00 15.00 C ATOM 135 NH1 ARG A 243 1.833 7.057 4.021 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 2.608 6.412 6.090 1.00 15.00 N ATOM 0 H ARG A 243 1.615 3.810 -0.215 1.00 15.00 H new ATOM 0 HA ARG A 243 3.335 6.035 0.490 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.525 3.065 0.659 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.030 3.914 0.365 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.591 3.514 2.765 1.00 15.00 H new ATOM 0 HG3 ARG A 243 4.789 5.211 2.374 1.00 15.00 H new ATOM 0 HD2 ARG A 243 2.295 5.458 2.325 1.00 15.00 H new ATOM 0 HD3 ARG A 243 2.140 3.778 2.797 1.00 15.00 H new ATOM 0 HE ARG A 243 3.410 4.393 4.903 1.00 15.00 H new ATOM 0 HH11 ARG A 243 1.717 6.871 3.025 1.00 15.00 H new ATOM 0 HH12 ARG A 243 1.475 7.923 4.423 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.086 5.733 6.682 1.00 15.00 H new ATOM 0 HH22 ARG A 243 2.251 7.278 6.494 1.00 15.00 H new ATOM 150 N THR A 244 4.974 6.055 -1.338 1.00 15.00 N ATOM 151 CA THR A 244 5.728 6.418 -2.521 1.00 15.00 C ATOM 152 C THR A 244 7.220 6.243 -2.264 1.00 15.00 C ATOM 153 O THR A 244 7.872 7.117 -1.689 1.00 15.00 O ATOM 154 CB THR A 244 5.441 7.874 -2.949 1.00 15.00 C ATOM 155 OG1 THR A 244 5.572 8.754 -1.818 1.00 15.00 O ATOM 156 CG2 THR A 244 4.046 8.007 -3.541 1.00 15.00 C ATOM 0 H THR A 244 5.319 6.487 -0.481 1.00 15.00 H new ATOM 0 HA THR A 244 5.416 5.758 -3.330 1.00 15.00 H new ATOM 0 HB THR A 244 6.167 8.150 -3.713 1.00 15.00 H new ATOM 0 HG1 THR A 244 6.405 8.554 -1.343 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.872 9.043 -3.833 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.959 7.363 -4.416 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.306 7.710 -2.798 1.00 15.00 H new ATOM 164 N THR A 245 7.741 5.094 -2.654 1.00 15.00 N ATOM 165 CA THR A 245 9.151 4.788 -2.481 1.00 15.00 C ATOM 166 C THR A 245 9.924 5.152 -3.745 1.00 15.00 C ATOM 167 O THR A 245 9.362 5.127 -4.844 1.00 15.00 O ATOM 168 CB THR A 245 9.362 3.295 -2.133 1.00 15.00 C ATOM 169 OG1 THR A 245 10.760 2.983 -2.037 1.00 15.00 O ATOM 170 CG2 THR A 245 8.707 2.399 -3.174 1.00 15.00 C ATOM 0 H THR A 245 7.203 4.350 -3.097 1.00 15.00 H new ATOM 0 HA THR A 245 9.528 5.382 -1.648 1.00 15.00 H new ATOM 0 HB THR A 245 8.894 3.113 -1.165 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.872 2.110 -1.605 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.869 1.354 -2.908 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.637 2.603 -3.208 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.146 2.597 -4.152 1.00 15.00 H new ATOM 178 N VAL A 246 11.198 5.513 -3.577 1.00 15.00 N ATOM 179 CA VAL A 246 12.071 5.908 -4.692 1.00 15.00 C ATOM 180 C VAL A 246 12.090 4.847 -5.791 1.00 15.00 C ATOM 181 O VAL A 246 12.444 5.123 -6.936 1.00 15.00 O ATOM 182 CB VAL A 246 13.511 6.140 -4.198 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.260 4.830 -4.000 1.00 15.00 C ATOM 184 CG2 VAL A 246 14.268 7.066 -5.138 1.00 15.00 C ATOM 0 H VAL A 246 11.656 5.541 -2.666 1.00 15.00 H new ATOM 0 HA VAL A 246 11.668 6.834 -5.102 1.00 15.00 H new ATOM 0 HB VAL A 246 13.445 6.625 -3.224 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.271 5.038 -3.651 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.739 4.221 -3.261 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.306 4.291 -4.946 1.00 15.00 H new ATOM 0 HG21 VAL A 246 15.282 7.213 -4.766 1.00 15.00 H new ATOM 0 HG22 VAL A 246 14.308 6.622 -6.133 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.758 8.028 -5.190 1.00 15.00 H new ATOM 194 N GLN A 247 11.712 3.637 -5.408 1.00 15.00 N ATOM 195 CA GLN A 247 11.590 2.513 -6.341 1.00 15.00 C ATOM 196 C GLN A 247 10.658 2.867 -7.503 1.00 15.00 C ATOM 197 O GLN A 247 10.712 2.259 -8.571 1.00 15.00 O ATOM 198 CB GLN A 247 11.043 1.270 -5.624 1.00 15.00 C ATOM 199 CG GLN A 247 11.661 1.000 -4.265 1.00 15.00 C ATOM 200 CD GLN A 247 13.172 1.138 -4.252 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.843 0.904 -5.255 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.716 1.522 -3.112 1.00 15.00 N ATOM 0 H GLN A 247 11.480 3.400 -4.443 1.00 15.00 H new ATOM 0 HA GLN A 247 12.586 2.300 -6.730 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.966 1.382 -5.503 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.203 0.400 -6.261 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.234 1.690 -3.537 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.393 -0.007 -3.946 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.125 1.707 -2.302 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.727 1.634 -3.042 1.00 15.00 H new ATOM 211 N GLY A 248 9.778 3.829 -7.268 1.00 15.00 N ATOM 212 CA GLY A 248 8.864 4.275 -8.299 1.00 15.00 C ATOM 213 C GLY A 248 7.615 3.425 -8.348 1.00 15.00 C ATOM 214 O GLY A 248 7.072 3.156 -9.419 1.00 15.00 O ATOM 0 H GLY A 248 9.681 4.312 -6.375 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.590 5.314 -8.117 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.364 4.242 -9.267 1.00 15.00 H new ATOM 218 N GLN A 249 7.160 3.003 -7.178 1.00 15.00 N ATOM 219 CA GLN A 249 6.008 2.124 -7.080 1.00 15.00 C ATOM 220 C GLN A 249 5.139 2.501 -5.889 1.00 15.00 C ATOM 221 O GLN A 249 5.636 2.677 -4.773 1.00 15.00 O ATOM 222 CB GLN A 249 6.470 0.665 -6.979 1.00 15.00 C ATOM 223 CG GLN A 249 7.475 0.397 -5.873 1.00 15.00 C ATOM 224 CD GLN A 249 8.357 -0.804 -6.167 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.640 -1.112 -7.324 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.803 -1.484 -5.122 1.00 15.00 N ATOM 0 H GLN A 249 7.574 3.257 -6.281 1.00 15.00 H new ATOM 0 HA GLN A 249 5.405 2.237 -7.981 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.597 0.031 -6.821 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.910 0.370 -7.932 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.101 1.278 -5.734 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.944 0.233 -4.936 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.545 -1.196 -4.178 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.404 -2.296 -5.261 1.00 15.00 H new ATOM 235 N VAL A 250 3.844 2.629 -6.136 1.00 15.00 N ATOM 236 CA VAL A 250 2.893 2.923 -5.078 1.00 15.00 C ATOM 237 C VAL A 250 2.369 1.632 -4.465 1.00 15.00 C ATOM 238 O VAL A 250 1.866 0.749 -5.164 1.00 15.00 O ATOM 239 CB VAL A 250 1.705 3.779 -5.578 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.156 5.197 -5.895 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.049 3.148 -6.801 1.00 15.00 C ATOM 0 H VAL A 250 3.428 2.533 -7.062 1.00 15.00 H new ATOM 0 HA VAL A 250 3.425 3.502 -4.323 1.00 15.00 H new ATOM 0 HB VAL A 250 0.967 3.820 -4.777 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.304 5.780 -6.245 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.567 5.658 -4.997 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.921 5.171 -6.671 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.218 3.771 -7.130 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.781 3.065 -7.605 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.679 2.156 -6.544 1.00 15.00 H new ATOM 251 N TYR A 251 2.510 1.518 -3.160 1.00 15.00 N ATOM 252 CA TYR A 251 2.093 0.321 -2.458 1.00 15.00 C ATOM 253 C TYR A 251 1.202 0.698 -1.281 1.00 15.00 C ATOM 254 O TYR A 251 1.473 1.668 -0.565 1.00 15.00 O ATOM 255 CB TYR A 251 3.338 -0.498 -2.065 1.00 15.00 C ATOM 256 CG TYR A 251 4.345 0.184 -1.148 1.00 15.00 C ATOM 257 CD1 TYR A 251 4.092 0.378 0.211 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.578 0.595 -1.642 1.00 15.00 C ATOM 259 CE1 TYR A 251 5.033 0.961 1.036 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.520 1.168 -0.823 1.00 15.00 C ATOM 261 CZ TYR A 251 6.247 1.352 0.513 1.00 15.00 C ATOM 262 OH TYR A 251 7.194 1.922 1.332 1.00 15.00 O ATOM 0 H TYR A 251 2.911 2.241 -2.563 1.00 15.00 H new ATOM 0 HA TYR A 251 1.489 -0.320 -3.100 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.003 -1.415 -1.580 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.855 -0.791 -2.979 1.00 15.00 H new ATOM 0 HD1 TYR A 251 3.144 0.067 0.624 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.799 0.461 -2.691 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.819 1.110 2.084 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.474 1.474 -1.227 1.00 15.00 H new ATOM 0 HH TYR A 251 7.993 2.139 0.807 1.00 15.00 H new ATOM 272 N PHE A 252 0.126 -0.056 -1.100 1.00 15.00 N ATOM 273 CA PHE A 252 -0.912 0.321 -0.156 1.00 15.00 C ATOM 274 C PHE A 252 -0.653 -0.230 1.227 1.00 15.00 C ATOM 275 O PHE A 252 -0.563 -1.442 1.425 1.00 15.00 O ATOM 276 CB PHE A 252 -2.284 -0.111 -0.674 1.00 15.00 C ATOM 277 CG PHE A 252 -2.747 0.772 -1.800 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.815 2.142 -1.609 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.071 0.257 -3.054 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.186 2.982 -2.634 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.455 1.100 -4.081 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.507 2.466 -3.870 1.00 15.00 C ATOM 0 H PHE A 252 -0.049 -0.931 -1.595 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.898 1.407 -0.068 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.237 -1.145 -1.016 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.009 -0.077 0.139 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.573 2.557 -0.642 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.022 -0.808 -3.225 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.226 4.049 -2.469 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.714 0.692 -5.047 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.799 3.127 -4.673 1.00 15.00 H new ATOM 292 N LEU A 253 -0.534 0.688 2.175 1.00 15.00 N ATOM 293 CA LEU A 253 -0.249 0.349 3.552 1.00 15.00 C ATOM 294 C LEU A 253 -1.482 0.473 4.431 1.00 15.00 C ATOM 295 O LEU A 253 -1.980 1.568 4.676 1.00 15.00 O ATOM 296 CB LEU A 253 0.849 1.249 4.109 1.00 15.00 C ATOM 297 CG LEU A 253 2.234 0.620 4.218 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.230 1.684 4.597 1.00 15.00 C ATOM 299 CD2 LEU A 253 2.262 -0.484 5.258 1.00 15.00 C ATOM 0 H LEU A 253 -0.633 1.689 2.006 1.00 15.00 H new ATOM 0 HA LEU A 253 0.082 -0.690 3.561 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.922 2.134 3.477 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.546 1.588 5.100 1.00 15.00 H new ATOM 0 HG LEU A 253 2.489 0.184 3.252 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.223 1.241 4.677 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.240 2.462 3.833 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.949 2.120 5.556 1.00 15.00 H new ATOM 0 HD21 LEU A 253 3.264 -0.910 5.309 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.992 -0.074 6.231 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.550 -1.262 4.982 1.00 15.00 H new ATOM 311 N HIS A 254 -1.979 -0.656 4.878 1.00 15.00 N ATOM 312 CA HIS A 254 -2.960 -0.685 5.946 1.00 15.00 C ATOM 313 C HIS A 254 -2.360 -1.433 7.100 1.00 15.00 C ATOM 314 O HIS A 254 -2.384 -2.667 7.109 1.00 15.00 O ATOM 315 CB HIS A 254 -4.260 -1.383 5.518 1.00 15.00 C ATOM 316 CG HIS A 254 -5.197 -1.698 6.657 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.622 -2.979 6.943 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.759 -0.903 7.600 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.392 -2.959 8.015 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.495 -1.712 8.429 1.00 15.00 N ATOM 0 H HIS A 254 -1.720 -1.575 4.518 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.213 0.340 6.216 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.780 -0.749 4.800 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.009 -2.310 5.002 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.648 0.168 7.683 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.858 -3.818 8.474 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.035 -1.399 9.236 1.00 15.00 H new ATOM 329 N THR A 255 -1.778 -0.751 8.063 1.00 15.00 N ATOM 330 CA THR A 255 -1.210 -1.524 9.122 1.00 15.00 C ATOM 331 C THR A 255 -2.209 -1.664 10.258 1.00 15.00 C ATOM 332 O THR A 255 -2.273 -0.870 11.193 1.00 15.00 O ATOM 333 CB THR A 255 0.124 -0.914 9.623 1.00 15.00 C ATOM 334 OG1 THR A 255 0.578 -1.597 10.797 1.00 15.00 O ATOM 335 CG2 THR A 255 -0.006 0.579 9.911 1.00 15.00 C ATOM 0 H THR A 255 -1.692 0.263 8.130 1.00 15.00 H new ATOM 0 HA THR A 255 -0.981 -2.516 8.733 1.00 15.00 H new ATOM 0 HB THR A 255 0.856 -1.040 8.825 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.422 -1.201 11.100 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.951 0.967 10.260 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.299 1.101 9.000 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.763 0.737 10.679 1.00 15.00 H new ATOM 343 N GLN A 256 -3.014 -2.698 10.114 1.00 15.00 N ATOM 344 CA GLN A 256 -3.616 -3.425 11.203 1.00 15.00 C ATOM 345 C GLN A 256 -2.800 -4.685 11.366 1.00 15.00 C ATOM 346 O GLN A 256 -2.276 -5.014 12.427 1.00 15.00 O ATOM 347 CB GLN A 256 -5.072 -3.761 10.874 1.00 15.00 C ATOM 348 CG GLN A 256 -5.809 -4.517 11.963 1.00 15.00 C ATOM 349 CD GLN A 256 -7.205 -4.920 11.531 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.823 -4.259 10.695 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.714 -5.999 12.099 1.00 15.00 N ATOM 0 H GLN A 256 -3.274 -3.065 9.198 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.623 -2.839 12.122 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.607 -2.834 10.668 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.096 -4.353 9.959 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.242 -5.408 12.233 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.871 -3.896 12.857 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.169 -6.518 12.787 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.652 -6.313 11.849 1.00 15.00 H new ATOM 360 N THR A 257 -2.712 -5.371 10.226 1.00 15.00 N ATOM 361 CA THR A 257 -2.043 -6.647 10.093 1.00 15.00 C ATOM 362 C THR A 257 -0.674 -6.503 9.524 1.00 15.00 C ATOM 363 O THR A 257 0.190 -7.382 9.538 1.00 15.00 O ATOM 364 CB THR A 257 -2.906 -7.632 9.292 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.083 -7.122 7.962 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.276 -7.787 9.943 1.00 15.00 C ATOM 0 H THR A 257 -3.118 -5.038 9.352 1.00 15.00 H new ATOM 0 HA THR A 257 -1.913 -7.062 11.093 1.00 15.00 H new ATOM 0 HB THR A 257 -2.408 -8.601 9.268 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.632 -7.746 7.443 1.00 15.00 H new ATOM 0 HG21 THR A 257 -4.877 -8.488 9.364 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.156 -8.164 10.958 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.776 -6.819 9.973 1.00 15.00 H new ATOM 374 N GLY A 258 -0.567 -5.359 9.054 1.00 15.00 N ATOM 375 CA GLY A 258 0.558 -4.905 8.260 1.00 15.00 C ATOM 376 C GLY A 258 0.386 -5.185 6.776 1.00 15.00 C ATOM 377 O GLY A 258 1.064 -6.046 6.221 1.00 15.00 O ATOM 0 H GLY A 258 -1.276 -4.639 9.194 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.693 -3.834 8.409 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.466 -5.393 8.614 1.00 15.00 H new ATOM 381 N VAL A 259 -0.511 -4.453 6.125 1.00 15.00 N ATOM 382 CA VAL A 259 -0.698 -4.601 4.679 1.00 15.00 C ATOM 383 C VAL A 259 0.208 -3.674 3.884 1.00 15.00 C ATOM 384 O VAL A 259 0.216 -2.466 4.085 1.00 15.00 O ATOM 385 CB VAL A 259 -2.165 -4.355 4.223 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.248 -4.194 2.710 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.043 -5.511 4.653 1.00 15.00 C ATOM 0 H VAL A 259 -1.115 -3.759 6.565 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.436 -5.639 4.475 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.513 -3.435 4.692 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.284 -4.023 2.419 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.639 -3.344 2.401 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.880 -5.099 2.227 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.068 -5.330 4.329 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.678 -6.433 4.201 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.017 -5.604 5.739 1.00 15.00 H new ATOM 397 N SER A 260 0.973 -4.285 2.998 1.00 15.00 N ATOM 398 CA SER A 260 1.692 -3.582 1.940 1.00 15.00 C ATOM 399 C SER A 260 1.538 -4.385 0.661 1.00 15.00 C ATOM 400 O SER A 260 2.226 -5.385 0.452 1.00 15.00 O ATOM 401 CB SER A 260 3.177 -3.376 2.278 1.00 15.00 C ATOM 402 OG SER A 260 3.628 -4.364 3.189 1.00 15.00 O ATOM 0 H SER A 260 1.117 -5.295 2.989 1.00 15.00 H new ATOM 0 HA SER A 260 1.268 -2.584 1.824 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.771 -3.418 1.365 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.323 -2.385 2.708 1.00 15.00 H new ATOM 0 HG SER A 260 4.576 -4.216 3.390 1.00 15.00 H new ATOM 408 N THR A 261 0.584 -3.988 -0.158 1.00 15.00 N ATOM 409 CA THR A 261 0.173 -4.806 -1.279 1.00 15.00 C ATOM 410 C THR A 261 0.089 -3.991 -2.563 1.00 15.00 C ATOM 411 O THR A 261 -0.134 -2.774 -2.531 1.00 15.00 O ATOM 412 CB THR A 261 -1.181 -5.492 -0.986 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.476 -6.461 -1.996 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.314 -4.474 -0.907 1.00 15.00 C ATOM 0 H THR A 261 0.081 -3.106 -0.068 1.00 15.00 H new ATOM 0 HA THR A 261 0.932 -5.576 -1.421 1.00 15.00 H new ATOM 0 HB THR A 261 -1.097 -5.989 -0.019 1.00 15.00 H new ATOM 0 HG1 THR A 261 -2.011 -7.185 -1.608 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.252 -4.989 -0.700 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.108 -3.761 -0.109 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.393 -3.943 -1.856 1.00 15.00 H new ATOM 422 N TRP A 262 0.330 -4.663 -3.683 1.00 15.00 N ATOM 423 CA TRP A 262 0.261 -4.039 -4.994 1.00 15.00 C ATOM 424 C TRP A 262 -1.155 -3.601 -5.329 1.00 15.00 C ATOM 425 O TRP A 262 -1.386 -2.447 -5.694 1.00 15.00 O ATOM 426 CB TRP A 262 0.751 -5.003 -6.072 1.00 15.00 C ATOM 427 CG TRP A 262 2.238 -5.099 -6.170 1.00 15.00 C ATOM 428 CD1 TRP A 262 2.997 -6.226 -6.171 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.162 -4.032 -6.183 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.296 -5.941 -6.336 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.438 -4.612 -6.310 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.052 -2.648 -6.128 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.573 -3.877 -6.376 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.209 -1.918 -6.152 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.441 -2.554 -6.277 1.00 15.00 C ATOM 0 H TRP A 262 0.578 -5.652 -3.705 1.00 15.00 H new ATOM 0 HA TRP A 262 0.903 -3.159 -4.966 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.346 -5.994 -5.870 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.353 -4.686 -7.036 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.603 -7.225 -6.054 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.047 -6.621 -6.460 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.088 -2.166 -6.068 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.540 -4.341 -6.503 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.166 -0.842 -6.073 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.333 -1.946 -6.295 1.00 15.00 H new ATOM 446 N HIS A 263 -2.093 -4.531 -5.236 1.00 15.00 N ATOM 447 CA HIS A 263 -3.467 -4.249 -5.615 1.00 15.00 C ATOM 448 C HIS A 263 -4.073 -3.208 -4.684 1.00 15.00 C ATOM 449 O HIS A 263 -3.928 -3.289 -3.463 1.00 15.00 O ATOM 450 CB HIS A 263 -4.324 -5.532 -5.615 1.00 15.00 C ATOM 451 CG HIS A 263 -4.857 -5.947 -4.268 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.179 -5.777 -3.901 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.247 -6.515 -3.200 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.350 -6.221 -2.668 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.197 -6.674 -2.225 1.00 15.00 N ATOM 0 H HIS A 263 -1.929 -5.481 -4.904 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.458 -3.851 -6.630 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -5.166 -5.388 -6.292 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.726 -6.349 -6.019 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.205 -6.791 -3.130 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.279 -6.213 -2.117 1.00 15.00 H new ATOM 0 HE2 HIS A 263 -5.036 -7.079 -1.303 1.00 15.00 H new ATOM 464 N ASP A 264 -4.732 -2.225 -5.272 1.00 15.00 N ATOM 465 CA ASP A 264 -5.551 -1.296 -4.510 1.00 15.00 C ATOM 466 C ASP A 264 -6.534 -2.112 -3.682 1.00 15.00 C ATOM 467 O ASP A 264 -7.185 -3.000 -4.204 1.00 15.00 O ATOM 468 CB ASP A 264 -6.287 -0.357 -5.473 1.00 15.00 C ATOM 469 CG ASP A 264 -7.026 0.777 -4.790 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.676 0.543 -3.754 1.00 15.00 O ATOM 471 OD2 ASP A 264 -6.981 1.910 -5.322 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.716 -2.049 -6.276 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.939 -0.684 -3.848 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.567 0.064 -6.174 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.999 -0.939 -6.058 1.00 15.00 H new ATOM 476 N PRO A 265 -6.630 -1.869 -2.380 1.00 15.00 N ATOM 477 CA PRO A 265 -7.508 -2.644 -1.512 1.00 15.00 C ATOM 478 C PRO A 265 -8.976 -2.385 -1.788 1.00 15.00 C ATOM 479 O PRO A 265 -9.847 -3.112 -1.310 1.00 15.00 O ATOM 480 CB PRO A 265 -7.122 -2.212 -0.102 1.00 15.00 C ATOM 481 CG PRO A 265 -5.855 -1.439 -0.258 1.00 15.00 C ATOM 482 CD PRO A 265 -5.894 -0.853 -1.634 1.00 15.00 C ATOM 0 HA PRO A 265 -7.385 -3.715 -1.672 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.903 -1.600 0.349 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.978 -3.075 0.548 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.780 -0.656 0.497 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -4.986 -2.085 -0.134 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.401 0.112 -1.652 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.894 -0.695 -2.038 1.00 15.00 H new ATOM 490 N ARG A 266 -9.245 -1.320 -2.522 1.00 15.00 N ATOM 491 CA ARG A 266 -10.578 -1.065 -3.020 1.00 15.00 C ATOM 492 C ARG A 266 -10.876 -2.052 -4.134 1.00 15.00 C ATOM 493 O ARG A 266 -12.018 -2.219 -4.558 1.00 15.00 O ATOM 494 CB ARG A 266 -10.665 0.355 -3.549 1.00 15.00 C ATOM 495 CG ARG A 266 -12.082 0.842 -3.800 1.00 15.00 C ATOM 496 CD ARG A 266 -12.869 1.023 -2.514 1.00 15.00 C ATOM 497 NE ARG A 266 -14.242 1.456 -2.778 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.082 1.909 -1.845 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.707 1.965 -0.574 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.309 2.287 -2.184 1.00 15.00 N ATOM 0 H ARG A 266 -8.553 -0.618 -2.785 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.305 -1.184 -2.217 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.183 1.026 -2.837 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.101 0.419 -4.479 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.048 1.789 -4.338 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.600 0.129 -4.442 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.883 0.084 -1.960 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.370 1.758 -1.882 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.579 1.408 -3.739 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.771 1.661 -0.304 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.354 2.312 0.134 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.609 2.231 -3.157 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.951 2.633 -1.471 1.00 15.00 H new ATOM 514 N ILE A 267 -9.812 -2.681 -4.609 1.00 15.00 N ATOM 515 CA ILE A 267 -9.902 -3.703 -5.650 1.00 15.00 C ATOM 516 C ILE A 267 -9.132 -4.961 -5.233 1.00 15.00 C ATOM 517 O ILE A 267 -8.229 -5.406 -5.977 1.00 15.00 O ATOM 518 CB ILE A 267 -9.394 -3.194 -7.031 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.948 -2.660 -6.966 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.329 -2.121 -7.572 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.420 -2.178 -8.304 1.00 15.00 C ATOM 522 OXT ILE A 267 -9.415 -5.484 -4.139 1.00 15.00 O ATOM 0 H ILE A 267 -8.861 -2.500 -4.287 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.958 -3.947 -5.765 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.390 -4.048 -7.708 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.904 -1.839 -6.250 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.295 -3.447 -6.589 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.963 -1.773 -8.538 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.330 -2.537 -7.691 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.365 -1.284 -6.875 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.399 -1.817 -8.183 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.431 -3.002 -9.018 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -8.050 -1.369 -8.674 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.180 2.324 12.292 1.00 15.00 N ATOM 536 CA SER B 210 7.699 3.413 11.414 1.00 15.00 C ATOM 537 C SER B 210 8.168 3.221 9.970 1.00 15.00 C ATOM 538 O SER B 210 7.774 3.973 9.079 1.00 15.00 O ATOM 539 CB SER B 210 8.189 4.758 11.952 1.00 15.00 C ATOM 540 OG SER B 210 9.588 4.731 12.186 1.00 15.00 O ATOM 0 HA SER B 210 6.609 3.393 11.412 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.951 5.548 11.239 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.666 4.996 12.878 1.00 15.00 H new ATOM 0 HG SER B 210 9.842 3.857 12.548 1.00 15.00 H new ATOM 548 N ASP B 211 8.998 2.210 9.740 1.00 15.00 N ATOM 549 CA ASP B 211 9.525 1.943 8.406 1.00 15.00 C ATOM 550 C ASP B 211 8.648 0.927 7.684 1.00 15.00 C ATOM 551 O ASP B 211 8.465 -0.196 8.164 1.00 15.00 O ATOM 552 CB ASP B 211 10.960 1.418 8.497 1.00 15.00 C ATOM 553 CG ASP B 211 11.575 1.151 7.137 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.097 2.106 6.520 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.561 -0.016 6.692 1.00 15.00 O1- ATOM 0 H ASP B 211 9.320 1.562 10.459 1.00 15.00 H new ATOM 0 HA ASP B 211 9.524 2.876 7.842 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.574 2.142 9.032 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.969 0.498 9.082 1.00 15.00 H new ATOM 560 N PRO B 212 8.081 1.312 6.535 1.00 15.00 N ATOM 561 CA PRO B 212 7.228 0.444 5.742 1.00 15.00 C ATOM 562 C PRO B 212 8.008 -0.365 4.719 1.00 15.00 C ATOM 563 O PRO B 212 8.995 0.105 4.154 1.00 15.00 O ATOM 564 CB PRO B 212 6.300 1.426 5.018 1.00 15.00 C ATOM 565 CG PRO B 212 6.799 2.801 5.328 1.00 15.00 C ATOM 566 CD PRO B 212 8.172 2.640 5.928 1.00 15.00 C ATOM 0 HA PRO B 212 6.714 -0.289 6.364 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.309 1.245 3.943 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.270 1.304 5.354 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.841 3.410 4.425 1.00 15.00 H new ATOM 0 HG3 PRO B 212 6.130 3.308 6.024 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.956 2.691 5.173 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.389 3.413 6.666 1.00 15.00 H new ATOM 574 N GLY B 213 7.526 -1.568 4.456 1.00 15.00 N ATOM 575 CA GLY B 213 8.184 -2.430 3.511 1.00 15.00 C ATOM 576 C GLY B 213 7.667 -2.230 2.105 1.00 15.00 C ATOM 577 O GLY B 213 6.499 -1.890 1.900 1.00 15.00 O ATOM 0 H GLY B 213 6.687 -1.960 4.884 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.257 -2.240 3.533 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.039 -3.469 3.806 1.00 15.00 H new HETATM 581 N SEP B 214 8.544 -2.425 1.145 1.00 15.00 N HETATM 582 CA SEP B 214 8.212 -2.301 -0.258 1.00 15.00 C HETATM 583 CB SEP B 214 9.398 -1.750 -1.058 1.00 15.00 C HETATM 584 OG SEP B 214 10.626 -1.995 -0.407 1.00 15.00 O HETATM 585 C SEP B 214 7.729 -3.637 -0.834 1.00 15.00 C HETATM 586 O SEP B 214 7.988 -4.704 -0.280 1.00 15.00 O HETATM 587 P SEP B 214 11.909 -1.011 -0.537 1.00 15.00 P HETATM 588 O1P SEP B 214 11.454 0.337 -0.904 1.00 15.00 O HETATM 589 O2P SEP B 214 12.597 -0.986 0.759 1.00 15.00 O HETATM 590 O3P SEP B 214 12.800 -1.542 -1.574 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.413 -2.207 -2.047 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.271 -0.677 -1.204 1.00 15.00 H new HETATM 0 HA SEP B 214 7.392 -1.588 -0.344 1.00 15.00 H new HETATM 0 H SEP B 214 9.471 -2.158 1.475 1.00 15.00 H new ATOM 595 N PRO B 215 7.037 -3.574 -1.969 1.00 15.00 N ATOM 596 CA PRO B 215 6.475 -4.753 -2.644 1.00 15.00 C ATOM 597 C PRO B 215 7.496 -5.376 -3.593 1.00 15.00 C ATOM 598 O PRO B 215 7.911 -4.764 -4.574 1.00 15.00 O ATOM 599 CB PRO B 215 5.395 -4.131 -3.553 1.00 15.00 C ATOM 600 CG PRO B 215 5.228 -2.738 -3.079 1.00 15.00 C ATOM 601 CD PRO B 215 6.555 -2.334 -2.543 1.00 15.00 C ATOM 0 HA PRO B 215 6.143 -5.508 -1.932 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.702 -4.155 -4.599 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.458 -4.684 -3.483 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.918 -2.082 -3.892 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.459 -2.676 -2.309 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.216 -1.963 -3.326 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.471 -1.544 -1.796 1.00 15.00 H new ATOM 609 N PHE B 216 7.948 -6.577 -3.243 1.00 15.00 N ATOM 610 CA PHE B 216 8.986 -7.261 -4.010 1.00 15.00 C ATOM 611 C PHE B 216 8.397 -8.380 -4.858 1.00 15.00 C ATOM 612 O PHE B 216 9.107 -9.020 -5.636 1.00 15.00 O ATOM 613 CB PHE B 216 10.049 -7.839 -3.073 1.00 15.00 C ATOM 614 CG PHE B 216 10.846 -6.800 -2.331 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.926 -6.177 -2.934 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.518 -6.452 -1.030 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.662 -5.225 -2.253 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.251 -5.501 -0.346 1.00 15.00 C ATOM 619 CZ PHE B 216 12.324 -4.887 -0.959 1.00 15.00 C ATOM 0 H PHE B 216 7.612 -7.097 -2.433 1.00 15.00 H new ATOM 0 HA PHE B 216 9.445 -6.527 -4.672 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.563 -8.493 -2.349 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.732 -8.458 -3.654 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.196 -6.438 -3.947 1.00 15.00 H new ATOM 0 HD2 PHE B 216 9.680 -6.930 -0.545 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.502 -4.746 -2.734 1.00 15.00 H new ATOM 0 HE2 PHE B 216 10.984 -5.239 0.667 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.898 -4.143 -0.427 1.00 15.00 H new ATOM 629 N GLN B 217 7.109 -8.627 -4.690 1.00 15.00 N ATOM 630 CA GLN B 217 6.420 -9.649 -5.461 1.00 15.00 C ATOM 631 C GLN B 217 5.298 -9.009 -6.265 1.00 15.00 C ATOM 632 O GLN B 217 4.141 -9.035 -5.796 1.00 15.00 O ATOM 633 CB GLN B 217 5.857 -10.733 -4.537 1.00 15.00 C ATOM 634 CG GLN B 217 5.149 -11.859 -5.279 1.00 15.00 C ATOM 635 CD GLN B 217 4.377 -12.771 -4.350 1.00 15.00 C ATOM 636 OE1 GLN B 217 4.895 -13.775 -3.866 1.00 15.00 O ATOM 637 NE2 GLN B 217 3.123 -12.428 -4.100 1.00 15.00 N ATOM 638 OXT GLN B 217 5.592 -8.441 -7.334 1.00 15.00 O ATOM 0 H GLN B 217 6.517 -8.132 -4.024 1.00 15.00 H new ATOM 0 HA GLN B 217 7.130 -10.117 -6.142 1.00 15.00 H new ATOM 0 HB2 GLN B 217 6.671 -11.154 -3.946 1.00 15.00 H new ATOM 0 HB3 GLN B 217 5.158 -10.275 -3.837 1.00 15.00 H new ATOM 0 HG2 GLN B 217 4.466 -11.432 -6.014 1.00 15.00 H new ATOM 0 HG3 GLN B 217 5.884 -12.445 -5.830 1.00 15.00 H new ATOM 0 HE21 GLN B 217 2.731 -11.586 -4.522 1.00 15.00 H new ATOM 0 HE22 GLN B 217 2.549 -13.005 -3.485 1.00 15.00 H new TER 647 GLN B 217