USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 271 hydrogens (0 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 Set 1.1: A 261 THR OG1 : rot 130:sc= -0.865 USER MOD Set 1.2: A 263 HIS : no HE2:sc= 0.00577 K(o=-0.86,f=-1.6!) USER MOD Set 2.1: A 245 THR OG1 : rot -71:sc= 1.24 USER MOD Set 2.2: A 247 GLN : amide:sc= 1.02 K(o=2.3,f=-13!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 244 THR OG1 : rot 54:sc= 0.261 USER MOD Single : A 249 GLN : amide:sc= -2.24! X(o=-2.2!,f=-1.9) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.3) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=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 27:sc= 0.0956 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 236 -9.839 4.782 -1.616 1.00 15.00 N ATOM 19 CA LEU A 236 -9.722 3.554 -0.838 1.00 15.00 C ATOM 20 C LEU A 236 -10.637 3.607 0.381 1.00 15.00 C ATOM 21 O LEU A 236 -11.131 4.673 0.751 1.00 15.00 O ATOM 22 CB LEU A 236 -8.276 3.366 -0.350 1.00 15.00 C ATOM 23 CG LEU A 236 -7.184 3.863 -1.299 1.00 15.00 C ATOM 24 CD1 LEU A 236 -5.832 3.878 -0.605 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.125 2.987 -2.536 1.00 15.00 C ATOM 0 HA LEU A 236 -10.009 2.722 -1.481 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.164 3.881 0.604 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.111 2.305 -0.160 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.429 4.882 -1.598 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.071 4.235 -1.299 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -5.874 4.540 0.260 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -5.580 2.869 -0.277 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.344 3.352 -3.203 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -6.903 1.960 -2.245 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -8.085 3.019 -3.050 1.00 15.00 H new ATOM 37 N PRO A 237 -10.852 2.457 1.030 1.00 15.00 N ATOM 38 CA PRO A 237 -11.438 2.413 2.369 1.00 15.00 C ATOM 39 C PRO A 237 -10.474 2.968 3.391 1.00 15.00 C ATOM 40 O PRO A 237 -9.294 3.197 3.112 1.00 15.00 O ATOM 41 CB PRO A 237 -11.681 0.919 2.625 1.00 15.00 C ATOM 42 CG PRO A 237 -11.535 0.246 1.301 1.00 15.00 C ATOM 43 CD PRO A 237 -10.624 1.112 0.481 1.00 15.00 C ATOM 0 HA PRO A 237 -12.348 3.008 2.444 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.963 0.525 3.344 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.674 0.751 3.041 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.118 -0.754 1.418 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.504 0.132 0.815 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.582 0.808 0.581 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.870 1.063 -0.580 1.00 15.00 H new ATOM 51 N GLU A 238 -10.989 3.164 4.572 1.00 15.00 N ATOM 52 CA GLU A 238 -10.247 3.850 5.622 1.00 15.00 C ATOM 53 C GLU A 238 -9.083 3.028 6.137 1.00 15.00 C ATOM 54 O GLU A 238 -9.191 1.826 6.388 1.00 15.00 O ATOM 55 CB GLU A 238 -11.158 4.188 6.795 1.00 15.00 C ATOM 56 CG GLU A 238 -12.197 5.233 6.466 1.00 15.00 C ATOM 57 CD GLU A 238 -13.104 5.537 7.642 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.732 4.599 8.177 1.00 15.00 O ATOM 59 OE2 GLU A 238 -13.168 6.714 8.057 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.924 2.861 4.844 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.856 4.763 5.173 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.660 3.280 7.129 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.550 4.541 7.628 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.699 6.149 6.149 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.800 4.890 5.625 1.00 15.00 H new ATOM 66 N GLY A 239 -7.976 3.723 6.318 1.00 15.00 N ATOM 67 CA GLY A 239 -6.792 3.128 6.900 1.00 15.00 C ATOM 68 C GLY A 239 -5.739 2.737 5.877 1.00 15.00 C ATOM 69 O GLY A 239 -4.736 2.122 6.233 1.00 15.00 O ATOM 0 H GLY A 239 -7.874 4.707 6.068 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.354 3.831 7.609 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.082 2.243 7.466 1.00 15.00 H new ATOM 73 N TYR A 240 -5.950 3.077 4.614 1.00 15.00 N ATOM 74 CA TYR A 240 -4.936 2.810 3.598 1.00 15.00 C ATOM 75 C TYR A 240 -4.204 4.084 3.222 1.00 15.00 C ATOM 76 O TYR A 240 -4.820 5.064 2.799 1.00 15.00 O ATOM 77 CB TYR A 240 -5.534 2.207 2.320 1.00 15.00 C ATOM 78 CG TYR A 240 -6.228 0.887 2.522 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.503 -0.272 2.742 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.606 0.804 2.504 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.140 -1.482 2.947 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.252 -0.394 2.710 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.515 -1.536 2.935 1.00 15.00 C ATOM 84 OH TYR A 240 -8.154 -2.736 3.147 1.00 15.00 O ATOM 0 H TYR A 240 -6.797 3.530 4.270 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.247 2.089 4.039 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.245 2.916 1.896 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.738 2.077 1.587 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.424 -0.230 2.754 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.188 1.696 2.325 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.562 -2.379 3.115 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.331 -0.438 2.695 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.124 -2.602 3.108 1.00 15.00 H new ATOM 94 N GLU A 241 -2.896 4.061 3.374 1.00 15.00 N ATOM 95 CA GLU A 241 -2.049 5.123 2.878 1.00 15.00 C ATOM 96 C GLU A 241 -1.317 4.638 1.634 1.00 15.00 C ATOM 97 O GLU A 241 -0.689 3.576 1.638 1.00 15.00 O ATOM 98 CB GLU A 241 -1.059 5.586 3.957 1.00 15.00 C ATOM 99 CG GLU A 241 -0.313 4.455 4.649 1.00 15.00 C ATOM 100 CD GLU A 241 0.703 4.957 5.655 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.328 5.752 6.539 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.880 4.552 5.574 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.393 3.308 3.843 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.666 5.983 2.617 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.333 6.260 3.502 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.601 6.161 4.708 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.030 3.808 5.154 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.193 3.847 3.900 1.00 15.00 H new ATOM 109 N GLN A 242 -1.416 5.401 0.562 1.00 15.00 N ATOM 110 CA GLN A 242 -0.760 5.045 -0.682 1.00 15.00 C ATOM 111 C GLN A 242 0.630 5.646 -0.694 1.00 15.00 C ATOM 112 O GLN A 242 0.787 6.858 -0.847 1.00 15.00 O ATOM 113 CB GLN A 242 -1.559 5.562 -1.881 1.00 15.00 C ATOM 114 CG GLN A 242 -1.066 5.050 -3.228 1.00 15.00 C ATOM 115 CD GLN A 242 -1.531 5.913 -4.383 1.00 15.00 C ATOM 116 OE1 GLN A 242 -2.592 5.685 -4.958 1.00 15.00 O ATOM 117 NE2 GLN A 242 -0.733 6.912 -4.731 1.00 15.00 N ATOM 0 H GLN A 242 -1.945 6.272 0.528 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.698 3.959 -0.755 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.604 5.277 -1.757 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.524 6.651 -1.884 1.00 15.00 H new ATOM 0 HG2 GLN A 242 0.023 5.013 -3.222 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.419 4.029 -3.376 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.140 7.067 -4.227 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.992 7.526 -5.503 1.00 15.00 H new ATOM 126 N ARG A 243 1.635 4.814 -0.490 1.00 15.00 N ATOM 127 CA ARG A 243 2.991 5.319 -0.423 1.00 15.00 C ATOM 128 C ARG A 243 3.676 5.287 -1.764 1.00 15.00 C ATOM 129 O ARG A 243 3.449 4.408 -2.599 1.00 15.00 O ATOM 130 CB ARG A 243 3.838 4.606 0.630 1.00 15.00 C ATOM 131 CG ARG A 243 3.669 5.216 1.999 1.00 15.00 C ATOM 132 CD ARG A 243 4.587 4.575 3.016 1.00 15.00 C ATOM 133 NE ARG A 243 4.220 4.950 4.375 1.00 15.00 N ATOM 134 CZ ARG A 243 4.901 5.806 5.129 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.014 6.369 4.677 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.467 6.096 6.341 1.00 15.00 N ATOM 0 H ARG A 243 1.541 3.805 -0.370 1.00 15.00 H new ATOM 0 HA ARG A 243 2.900 6.361 -0.115 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.561 3.553 0.666 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.888 4.649 0.341 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.873 6.286 1.948 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.634 5.104 2.322 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.546 3.491 2.913 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.616 4.875 2.820 1.00 15.00 H new ATOM 0 HE ARG A 243 3.383 4.526 4.775 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.355 6.146 3.742 1.00 15.00 H new ATOM 0 HH12 ARG A 243 6.529 7.025 5.265 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.613 5.664 6.694 1.00 15.00 H new ATOM 0 HH22 ARG A 243 4.985 6.752 6.925 1.00 15.00 H new ATOM 150 N THR A 244 4.558 6.242 -1.912 1.00 15.00 N ATOM 151 CA THR A 244 5.254 6.493 -3.153 1.00 15.00 C ATOM 152 C THR A 244 6.750 6.501 -2.891 1.00 15.00 C ATOM 153 O THR A 244 7.347 7.534 -2.574 1.00 15.00 O ATOM 154 CB THR A 244 4.812 7.836 -3.773 1.00 15.00 C ATOM 155 OG1 THR A 244 4.844 8.870 -2.777 1.00 15.00 O ATOM 156 CG2 THR A 244 3.409 7.733 -4.356 1.00 15.00 C ATOM 0 H THR A 244 4.819 6.880 -1.161 1.00 15.00 H new ATOM 0 HA THR A 244 5.010 5.703 -3.863 1.00 15.00 H new ATOM 0 HB THR A 244 5.505 8.082 -4.578 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.729 8.892 -2.356 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.122 8.693 -4.786 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.393 6.968 -5.132 1.00 15.00 H new ATOM 0 HG23 THR A 244 2.706 7.465 -3.567 1.00 15.00 H new ATOM 164 N THR A 245 7.343 5.335 -3.005 1.00 15.00 N ATOM 165 CA THR A 245 8.715 5.139 -2.607 1.00 15.00 C ATOM 166 C THR A 245 9.640 5.240 -3.821 1.00 15.00 C ATOM 167 O THR A 245 9.224 4.943 -4.943 1.00 15.00 O ATOM 168 CB THR A 245 8.866 3.783 -1.881 1.00 15.00 C ATOM 169 OG1 THR A 245 10.153 3.677 -1.269 1.00 15.00 O ATOM 170 CG2 THR A 245 8.645 2.613 -2.831 1.00 15.00 C ATOM 0 H THR A 245 6.889 4.500 -3.375 1.00 15.00 H new ATOM 0 HA THR A 245 9.005 5.925 -1.909 1.00 15.00 H new ATOM 0 HB THR A 245 8.100 3.742 -1.107 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.837 3.565 -1.962 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.759 1.676 -2.286 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.640 2.669 -3.250 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.377 2.656 -3.637 1.00 15.00 H new ATOM 178 N VAL A 246 10.879 5.687 -3.590 1.00 15.00 N ATOM 179 CA VAL A 246 11.851 5.940 -4.665 1.00 15.00 C ATOM 180 C VAL A 246 12.048 4.710 -5.562 1.00 15.00 C ATOM 181 O VAL A 246 12.544 4.818 -6.685 1.00 15.00 O ATOM 182 CB VAL A 246 13.210 6.383 -4.076 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.181 6.802 -5.172 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.010 7.519 -3.088 1.00 15.00 C ATOM 0 H VAL A 246 11.238 5.884 -2.656 1.00 15.00 H new ATOM 0 HA VAL A 246 11.446 6.743 -5.281 1.00 15.00 H new ATOM 0 HB VAL A 246 13.643 5.529 -3.554 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.126 7.108 -4.723 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.354 5.963 -5.846 1.00 15.00 H new ATOM 0 HG13 VAL A 246 13.759 7.636 -5.733 1.00 15.00 H new ATOM 0 HG21 VAL A 246 13.975 7.821 -2.681 1.00 15.00 H new ATOM 0 HG22 VAL A 246 12.549 8.366 -3.596 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.362 7.186 -2.277 1.00 15.00 H new ATOM 194 N GLN A 247 11.643 3.550 -5.055 1.00 15.00 N ATOM 195 CA GLN A 247 11.600 2.309 -5.827 1.00 15.00 C ATOM 196 C GLN A 247 10.849 2.501 -7.149 1.00 15.00 C ATOM 197 O GLN A 247 11.022 1.731 -8.092 1.00 15.00 O ATOM 198 CB GLN A 247 10.918 1.193 -5.011 1.00 15.00 C ATOM 199 CG GLN A 247 11.788 0.540 -3.943 1.00 15.00 C ATOM 200 CD GLN A 247 12.010 1.380 -2.694 1.00 15.00 C ATOM 201 OE1 GLN A 247 11.979 2.603 -2.723 1.00 15.00 O ATOM 202 NE2 GLN A 247 12.243 0.718 -1.581 1.00 15.00 N ATOM 0 H GLN A 247 11.333 3.442 -4.089 1.00 15.00 H new ATOM 0 HA GLN A 247 12.628 2.024 -6.049 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.032 1.607 -4.530 1.00 15.00 H new ATOM 0 HB3 GLN A 247 10.576 0.420 -5.699 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.330 -0.405 -3.651 1.00 15.00 H new ATOM 0 HG3 GLN A 247 12.758 0.303 -4.380 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.263 -0.302 -1.589 1.00 15.00 H new ATOM 0 HE22 GLN A 247 12.404 1.225 -0.710 1.00 15.00 H new ATOM 211 N GLY A 248 9.988 3.514 -7.193 1.00 15.00 N ATOM 212 CA GLY A 248 9.246 3.818 -8.405 1.00 15.00 C ATOM 213 C GLY A 248 7.950 3.045 -8.486 1.00 15.00 C ATOM 214 O GLY A 248 7.334 2.953 -9.546 1.00 15.00 O ATOM 0 H GLY A 248 9.790 4.133 -6.407 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.033 4.886 -8.441 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.861 3.586 -9.274 1.00 15.00 H new ATOM 218 N GLN A 249 7.530 2.497 -7.359 1.00 15.00 N ATOM 219 CA GLN A 249 6.342 1.662 -7.313 1.00 15.00 C ATOM 220 C GLN A 249 5.437 2.111 -6.173 1.00 15.00 C ATOM 221 O GLN A 249 5.913 2.396 -5.070 1.00 15.00 O ATOM 222 CB GLN A 249 6.736 0.191 -7.114 1.00 15.00 C ATOM 223 CG GLN A 249 8.155 -0.127 -7.546 1.00 15.00 C ATOM 224 CD GLN A 249 8.510 -1.595 -7.441 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.311 -2.363 -8.380 1.00 15.00 O ATOM 226 NE2 GLN A 249 9.057 -1.997 -6.302 1.00 15.00 N ATOM 0 H GLN A 249 7.996 2.616 -6.460 1.00 15.00 H new ATOM 0 HA GLN A 249 5.806 1.761 -8.257 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.620 -0.067 -6.061 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.046 -0.439 -7.675 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.293 0.198 -8.577 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.849 0.450 -6.935 1.00 15.00 H new ATOM 0 HE21 GLN A 249 9.207 -1.330 -5.545 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.328 -2.973 -6.183 1.00 15.00 H new ATOM 235 N VAL A 250 4.138 2.161 -6.437 1.00 15.00 N ATOM 236 CA VAL A 250 3.161 2.520 -5.420 1.00 15.00 C ATOM 237 C VAL A 250 2.685 1.277 -4.683 1.00 15.00 C ATOM 238 O VAL A 250 2.386 0.253 -5.302 1.00 15.00 O ATOM 239 CB VAL A 250 1.933 3.254 -6.018 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.306 4.653 -6.475 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.333 2.464 -7.175 1.00 15.00 C ATOM 0 H VAL A 250 3.736 1.956 -7.352 1.00 15.00 H new ATOM 0 HA VAL A 250 3.660 3.200 -4.729 1.00 15.00 H new ATOM 0 HB VAL A 250 1.182 3.336 -5.232 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.427 5.146 -6.890 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.677 5.227 -5.625 1.00 15.00 H new ATOM 0 HG13 VAL A 250 3.082 4.592 -7.238 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.474 3.002 -7.576 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.081 2.341 -7.958 1.00 15.00 H new ATOM 0 HG23 VAL A 250 1.015 1.484 -6.820 1.00 15.00 H new ATOM 251 N TYR A 251 2.634 1.360 -3.365 1.00 15.00 N ATOM 252 CA TYR A 251 2.202 0.236 -2.558 1.00 15.00 C ATOM 253 C TYR A 251 1.196 0.697 -1.509 1.00 15.00 C ATOM 254 O TYR A 251 1.366 1.751 -0.889 1.00 15.00 O ATOM 255 CB TYR A 251 3.428 -0.481 -1.949 1.00 15.00 C ATOM 256 CG TYR A 251 4.274 0.307 -0.957 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.830 0.556 0.336 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.547 0.753 -1.307 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.621 1.235 1.246 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.344 1.419 -0.402 1.00 15.00 C ATOM 261 CZ TYR A 251 5.877 1.661 0.873 1.00 15.00 C ATOM 262 OH TYR A 251 6.672 2.323 1.779 1.00 15.00 O ATOM 0 H TYR A 251 2.886 2.193 -2.833 1.00 15.00 H new ATOM 0 HA TYR A 251 1.688 -0.494 -3.183 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.078 -1.385 -1.451 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.075 -0.798 -2.767 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.851 0.214 0.636 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.916 0.573 -2.306 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.256 1.430 2.243 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.331 1.750 -0.690 1.00 15.00 H new ATOM 0 HH TYR A 251 7.526 2.554 1.358 1.00 15.00 H new ATOM 272 N PHE A 252 0.139 -0.085 -1.332 1.00 15.00 N ATOM 273 CA PHE A 252 -0.939 0.285 -0.428 1.00 15.00 C ATOM 274 C PHE A 252 -0.674 -0.232 0.968 1.00 15.00 C ATOM 275 O PHE A 252 -0.508 -1.436 1.183 1.00 15.00 O ATOM 276 CB PHE A 252 -2.287 -0.211 -0.958 1.00 15.00 C ATOM 277 CG PHE A 252 -2.741 0.602 -2.135 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.912 1.967 -1.997 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.943 0.026 -3.384 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.264 2.747 -3.076 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.312 0.804 -4.466 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.466 2.170 -4.310 1.00 15.00 C ATOM 0 H PHE A 252 0.006 -0.980 -1.803 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.981 1.373 -0.376 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.204 -1.259 -1.247 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.034 -0.157 -0.166 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.768 2.427 -1.031 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.811 -1.038 -3.510 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.382 3.814 -2.954 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.479 0.347 -5.430 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.744 2.783 -5.155 1.00 15.00 H new ATOM 292 N LEU A 253 -0.631 0.698 1.906 1.00 15.00 N ATOM 293 CA LEU A 253 -0.282 0.390 3.274 1.00 15.00 C ATOM 294 C LEU A 253 -1.476 0.597 4.195 1.00 15.00 C ATOM 295 O LEU A 253 -2.074 1.666 4.228 1.00 15.00 O ATOM 296 CB LEU A 253 0.871 1.286 3.715 1.00 15.00 C ATOM 297 CG LEU A 253 1.993 0.602 4.494 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.002 1.633 4.938 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.463 -0.153 5.698 1.00 15.00 C ATOM 0 H LEU A 253 -0.837 1.683 1.738 1.00 15.00 H new ATOM 0 HA LEU A 253 0.020 -0.656 3.333 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.303 1.751 2.829 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.466 2.089 4.331 1.00 15.00 H new ATOM 0 HG LEU A 253 2.468 -0.122 3.833 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.802 1.144 5.494 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.420 2.133 4.064 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.514 2.368 5.577 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.292 -0.625 6.225 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.955 0.541 6.368 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.760 -0.918 5.367 1.00 15.00 H new ATOM 311 N HIS A 254 -1.815 -0.440 4.928 1.00 15.00 N ATOM 312 CA HIS A 254 -2.838 -0.360 5.960 1.00 15.00 C ATOM 313 C HIS A 254 -2.376 -1.139 7.154 1.00 15.00 C ATOM 314 O HIS A 254 -2.497 -2.368 7.175 1.00 15.00 O ATOM 315 CB HIS A 254 -4.174 -0.932 5.464 1.00 15.00 C ATOM 316 CG HIS A 254 -5.185 -1.246 6.536 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.488 -2.539 6.921 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.965 -0.440 7.292 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.408 -2.511 7.867 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.715 -1.251 8.108 1.00 15.00 N ATOM 0 H HIS A 254 -1.393 -1.363 4.830 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.994 0.687 6.220 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.618 -0.220 4.768 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -3.972 -1.844 4.902 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.993 0.639 7.260 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.836 -3.372 8.359 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.400 -0.930 8.792 1.00 15.00 H new ATOM 329 N THR A 255 -1.814 -0.486 8.142 1.00 15.00 N ATOM 330 CA THR A 255 -1.385 -1.268 9.265 1.00 15.00 C ATOM 331 C THR A 255 -2.465 -1.308 10.323 1.00 15.00 C ATOM 332 O THR A 255 -2.542 -0.468 11.215 1.00 15.00 O ATOM 333 CB THR A 255 -0.081 -0.712 9.869 1.00 15.00 C ATOM 334 OG1 THR A 255 0.886 -0.538 8.828 1.00 15.00 O ATOM 335 CG2 THR A 255 0.474 -1.650 10.932 1.00 15.00 C ATOM 0 H THR A 255 -1.652 0.520 8.192 1.00 15.00 H new ATOM 0 HA THR A 255 -1.193 -2.280 8.910 1.00 15.00 H new ATOM 0 HB THR A 255 -0.298 0.246 10.341 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.716 -0.183 9.209 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.394 -1.233 11.341 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.258 -1.768 11.731 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.684 -2.622 10.486 1.00 15.00 H new ATOM 343 N GLN A 256 -3.331 -2.285 10.149 1.00 15.00 N ATOM 344 CA GLN A 256 -4.016 -2.961 11.220 1.00 15.00 C ATOM 345 C GLN A 256 -3.284 -4.271 11.410 1.00 15.00 C ATOM 346 O GLN A 256 -2.808 -4.615 12.488 1.00 15.00 O ATOM 347 CB GLN A 256 -5.482 -3.197 10.855 1.00 15.00 C ATOM 348 CG GLN A 256 -6.325 -3.788 11.969 1.00 15.00 C ATOM 349 CD GLN A 256 -7.740 -4.085 11.514 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.030 -5.180 11.032 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.627 -3.113 11.653 1.00 15.00 N ATOM 0 H GLN A 256 -3.582 -2.638 9.226 1.00 15.00 H new ATOM 0 HA GLN A 256 -4.017 -2.372 12.137 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.923 -2.249 10.548 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.525 -3.863 9.993 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.859 -4.706 12.328 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.352 -3.095 12.810 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.346 -2.220 12.057 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.592 -3.257 11.356 1.00 15.00 H new ATOM 360 N THR A 257 -3.186 -4.973 10.276 1.00 15.00 N ATOM 361 CA THR A 257 -2.553 -6.272 10.185 1.00 15.00 C ATOM 362 C THR A 257 -1.171 -6.187 9.648 1.00 15.00 C ATOM 363 O THR A 257 -0.341 -7.097 9.708 1.00 15.00 O ATOM 364 CB THR A 257 -3.409 -7.283 9.401 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.617 -6.796 8.065 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.761 -7.477 10.067 1.00 15.00 C ATOM 0 H THR A 257 -3.554 -4.639 9.385 1.00 15.00 H new ATOM 0 HA THR A 257 -2.474 -6.648 11.205 1.00 15.00 H new ATOM 0 HB THR A 257 -2.883 -8.237 9.381 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.160 -7.439 7.563 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.348 -8.196 9.495 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.617 -7.851 11.081 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.289 -6.524 10.103 1.00 15.00 H new ATOM 374 N GLY A 258 -1.002 -5.062 9.156 1.00 15.00 N ATOM 375 CA GLY A 258 0.163 -4.689 8.382 1.00 15.00 C ATOM 376 C GLY A 258 0.022 -5.027 6.909 1.00 15.00 C ATOM 377 O GLY A 258 0.638 -5.969 6.418 1.00 15.00 O ATOM 0 H GLY A 258 -1.678 -4.305 9.260 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.338 -3.618 8.490 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.039 -5.197 8.785 1.00 15.00 H new ATOM 381 N VAL A 259 -0.793 -4.256 6.202 1.00 15.00 N ATOM 382 CA VAL A 259 -0.941 -4.434 4.754 1.00 15.00 C ATOM 383 C VAL A 259 0.060 -3.597 3.971 1.00 15.00 C ATOM 384 O VAL A 259 0.147 -2.388 4.135 1.00 15.00 O ATOM 385 CB VAL A 259 -2.366 -4.087 4.241 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.395 -3.990 2.722 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.349 -5.142 4.695 1.00 15.00 C ATOM 0 H VAL A 259 -1.360 -3.506 6.598 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.753 -5.494 4.585 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.646 -3.119 4.656 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.405 -3.746 2.392 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.708 -3.210 2.394 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.093 -4.944 2.291 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.346 -4.891 4.331 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.051 -6.112 4.297 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.360 -5.184 5.784 1.00 15.00 H new ATOM 397 N SER A 260 0.808 -4.286 3.132 1.00 15.00 N ATOM 398 CA SER A 260 1.649 -3.659 2.116 1.00 15.00 C ATOM 399 C SER A 260 1.550 -4.491 0.849 1.00 15.00 C ATOM 400 O SER A 260 2.121 -5.580 0.755 1.00 15.00 O ATOM 401 CB SER A 260 3.110 -3.513 2.577 1.00 15.00 C ATOM 402 OG SER A 260 3.470 -4.557 3.473 1.00 15.00 O ATOM 0 H SER A 260 0.854 -5.305 3.131 1.00 15.00 H new ATOM 0 HA SER A 260 1.295 -2.645 1.931 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.771 -3.529 1.711 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.246 -2.548 3.065 1.00 15.00 H new ATOM 0 HG SER A 260 4.403 -4.443 3.750 1.00 15.00 H new ATOM 408 N THR A 261 0.766 -4.008 -0.099 1.00 15.00 N ATOM 409 CA THR A 261 0.394 -4.811 -1.250 1.00 15.00 C ATOM 410 C THR A 261 0.316 -3.975 -2.526 1.00 15.00 C ATOM 411 O THR A 261 0.051 -2.769 -2.479 1.00 15.00 O ATOM 412 CB THR A 261 -0.954 -5.526 -1.013 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.235 -6.417 -2.094 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.095 -4.526 -0.865 1.00 15.00 C ATOM 0 H THR A 261 0.376 -3.066 -0.094 1.00 15.00 H new ATOM 0 HA THR A 261 1.177 -5.558 -1.380 1.00 15.00 H new ATOM 0 HB THR A 261 -0.872 -6.092 -0.085 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.471 -7.299 -1.738 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.029 -5.062 -0.699 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.897 -3.871 -0.016 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.175 -3.929 -1.773 1.00 15.00 H new ATOM 422 N TRP A 262 0.593 -4.621 -3.655 1.00 15.00 N ATOM 423 CA TRP A 262 0.526 -3.972 -4.955 1.00 15.00 C ATOM 424 C TRP A 262 -0.908 -3.664 -5.350 1.00 15.00 C ATOM 425 O TRP A 262 -1.194 -2.603 -5.912 1.00 15.00 O ATOM 426 CB TRP A 262 1.130 -4.864 -6.035 1.00 15.00 C ATOM 427 CG TRP A 262 2.588 -5.130 -5.872 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.184 -6.307 -5.545 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.632 -4.188 -5.937 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.519 -6.193 -5.554 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.824 -4.908 -5.756 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.701 -2.814 -6.161 1.00 15.00 C ATOM 433 CZ2 TRP A 262 6.041 -4.324 -5.782 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.941 -2.232 -6.135 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.076 -3.010 -5.947 1.00 15.00 C ATOM 0 H TRP A 262 0.868 -5.602 -3.692 1.00 15.00 H new ATOM 0 HA TRP A 262 1.089 -3.043 -4.872 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.598 -5.816 -6.042 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.965 -4.399 -7.007 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.651 -7.216 -5.309 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.186 -6.954 -5.429 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.811 -2.231 -6.348 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.946 -4.903 -5.673 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 5.036 -1.164 -6.261 1.00 15.00 H new ATOM 0 HH2 TRP A 262 7.037 -2.518 -5.935 1.00 15.00 H new ATOM 446 N HIS A 263 -1.801 -4.615 -5.107 1.00 15.00 N ATOM 447 CA HIS A 263 -3.184 -4.463 -5.525 1.00 15.00 C ATOM 448 C HIS A 263 -3.895 -3.460 -4.634 1.00 15.00 C ATOM 449 O HIS A 263 -3.785 -3.514 -3.409 1.00 15.00 O ATOM 450 CB HIS A 263 -3.927 -5.818 -5.532 1.00 15.00 C ATOM 451 CG HIS A 263 -4.562 -6.220 -4.229 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.908 -6.058 -3.964 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.033 -6.784 -3.117 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.171 -6.504 -2.752 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.053 -6.952 -2.215 1.00 15.00 N ATOM 0 H HIS A 263 -1.593 -5.491 -4.627 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.187 -4.086 -6.548 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.702 -5.782 -6.297 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.223 -6.596 -5.827 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.591 -5.656 -4.606 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -2.998 -7.052 -2.968 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.141 -6.503 -2.277 1.00 15.00 H new ATOM 464 N ASP A 264 -4.602 -2.539 -5.261 1.00 15.00 N ATOM 465 CA ASP A 264 -5.456 -1.613 -4.540 1.00 15.00 C ATOM 466 C ASP A 264 -6.443 -2.426 -3.708 1.00 15.00 C ATOM 467 O ASP A 264 -7.086 -3.330 -4.217 1.00 15.00 O ATOM 468 CB ASP A 264 -6.187 -0.704 -5.541 1.00 15.00 C ATOM 469 CG ASP A 264 -6.936 0.446 -4.897 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.609 0.230 -3.874 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.853 1.579 -5.429 1.00 15.00 O ATOM 0 H ASP A 264 -4.602 -2.412 -6.273 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.869 -0.976 -3.878 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.461 -0.301 -6.247 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.891 -1.306 -6.116 1.00 15.00 H new ATOM 476 N PRO A 265 -6.547 -2.161 -2.410 1.00 15.00 N ATOM 477 CA PRO A 265 -7.425 -2.924 -1.526 1.00 15.00 C ATOM 478 C PRO A 265 -8.894 -2.672 -1.804 1.00 15.00 C ATOM 479 O PRO A 265 -9.767 -3.378 -1.304 1.00 15.00 O ATOM 480 CB PRO A 265 -7.042 -2.460 -0.124 1.00 15.00 C ATOM 481 CG PRO A 265 -5.784 -1.670 -0.292 1.00 15.00 C ATOM 482 CD PRO A 265 -5.816 -1.123 -1.684 1.00 15.00 C ATOM 0 HA PRO A 265 -7.299 -3.997 -1.667 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.831 -1.851 0.317 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.886 -3.309 0.541 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.729 -0.865 0.441 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -4.907 -2.299 -0.141 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.324 -0.160 -1.731 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.814 -0.975 -2.086 1.00 15.00 H new ATOM 490 N ARG A 266 -9.156 -1.623 -2.554 1.00 15.00 N ATOM 491 CA ARG A 266 -10.491 -1.336 -3.032 1.00 15.00 C ATOM 492 C ARG A 266 -10.818 -2.292 -4.168 1.00 15.00 C ATOM 493 O ARG A 266 -11.956 -2.388 -4.625 1.00 15.00 O ATOM 494 CB ARG A 266 -10.531 0.099 -3.517 1.00 15.00 C ATOM 495 CG ARG A 266 -11.922 0.679 -3.701 1.00 15.00 C ATOM 496 CD ARG A 266 -12.644 0.876 -2.380 1.00 15.00 C ATOM 497 NE ARG A 266 -13.778 1.791 -2.512 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.867 1.748 -1.747 1.00 15.00 C ATOM 499 NH1 ARG A 266 -15.023 0.775 -0.857 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.813 2.667 -1.895 1.00 15.00 N ATOM 0 H ARG A 266 -8.451 -0.947 -2.849 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.226 -1.465 -2.237 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -9.986 0.721 -2.807 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.000 0.160 -4.467 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.849 1.635 -4.219 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.508 0.016 -4.338 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.995 -0.087 -2.011 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -11.946 1.266 -1.639 1.00 15.00 H new ATOM 0 HE ARG A 266 -13.731 2.508 -3.236 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.307 0.056 -0.757 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.859 0.747 -0.273 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -15.704 3.403 -2.593 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.649 2.637 -1.311 1.00 15.00 H new ATOM 514 N ILE A 267 -9.782 -2.979 -4.627 1.00 15.00 N ATOM 515 CA ILE A 267 -9.918 -3.973 -5.689 1.00 15.00 C ATOM 516 C ILE A 267 -9.288 -5.310 -5.286 1.00 15.00 C ATOM 517 O ILE A 267 -9.977 -6.105 -4.614 1.00 15.00 O ATOM 518 CB ILE A 267 -9.336 -3.489 -7.050 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.883 -2.992 -6.928 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.221 -2.398 -7.633 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.264 -2.593 -8.249 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.117 -5.573 -5.638 1.00 15.00 O ATOM 0 H ILE A 267 -8.830 -2.867 -4.279 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.989 -4.117 -5.831 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.321 -4.348 -7.721 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.856 -2.138 -6.252 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.277 -3.777 -6.475 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.808 -2.064 -8.585 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.226 -2.790 -7.791 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.265 -1.557 -6.941 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.241 -2.254 -8.084 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.258 -3.451 -8.922 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.846 -1.786 -8.695 1.00 15.00 H new ATOM 535 N SER B 210 9.029 1.511 12.940 1.00 15.00 N ATOM 536 CA SER B 210 7.875 2.302 12.461 1.00 15.00 C ATOM 537 C SER B 210 7.970 2.567 10.957 1.00 15.00 C ATOM 538 O SER B 210 7.104 3.222 10.377 1.00 15.00 O ATOM 539 CB SER B 210 7.804 3.623 13.225 1.00 15.00 C ATOM 540 OG SER B 210 7.720 3.392 14.623 1.00 15.00 O ATOM 0 HA SER B 210 6.966 1.728 12.642 1.00 15.00 H new ATOM 0 HB2 SER B 210 8.686 4.224 13.003 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.937 4.194 12.893 1.00 15.00 H new ATOM 0 HG SER B 210 8.145 2.536 14.839 1.00 15.00 H new ATOM 548 N ASP B 211 9.015 2.045 10.326 1.00 15.00 N ATOM 549 CA ASP B 211 9.200 2.222 8.892 1.00 15.00 C ATOM 550 C ASP B 211 8.526 1.076 8.142 1.00 15.00 C ATOM 551 O ASP B 211 8.557 -0.071 8.591 1.00 15.00 O ATOM 552 CB ASP B 211 10.694 2.296 8.542 1.00 15.00 C ATOM 553 CG ASP B 211 11.435 0.992 8.767 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.486 0.521 9.922 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.979 0.438 7.793 1.00 15.00 O ATOM 0 H ASP B 211 9.744 1.498 10.783 1.00 15.00 H new ATOM 0 HA ASP B 211 8.739 3.162 8.589 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.800 2.589 7.497 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.161 3.078 9.141 1.00 15.00 H new ATOM 560 N PRO B 212 7.902 1.370 6.993 1.00 15.00 N ATOM 561 CA PRO B 212 7.180 0.377 6.214 1.00 15.00 C ATOM 562 C PRO B 212 8.066 -0.323 5.195 1.00 15.00 C ATOM 563 O PRO B 212 8.999 0.271 4.646 1.00 15.00 O ATOM 564 CB PRO B 212 6.109 1.203 5.498 1.00 15.00 C ATOM 565 CG PRO B 212 6.459 2.647 5.701 1.00 15.00 C ATOM 566 CD PRO B 212 7.814 2.689 6.363 1.00 15.00 C ATOM 0 HA PRO B 212 6.784 -0.420 6.843 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.080 0.959 4.436 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.120 0.986 5.902 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.480 3.175 4.748 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.712 3.140 6.323 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.614 2.847 5.640 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.883 3.494 7.095 1.00 15.00 H new ATOM 574 N GLY B 213 7.744 -1.575 4.923 1.00 15.00 N ATOM 575 CA GLY B 213 8.518 -2.348 3.982 1.00 15.00 C ATOM 576 C GLY B 213 7.997 -2.211 2.570 1.00 15.00 C ATOM 577 O GLY B 213 6.848 -1.816 2.354 1.00 15.00 O ATOM 0 H GLY B 213 6.956 -2.071 5.340 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.558 -2.025 4.017 1.00 15.00 H new ATOM 0 HA3 GLY B 213 8.500 -3.398 4.274 1.00 15.00 H new