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 130:sc= -1.59! USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.587! C(o=-2.2!,f=-1.5!) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.45) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-0.41,f=-1.2) USER MOD Set 3.1: A 249 GLN : amide:sc= -2.3! C(o=-2.8!,f=-2.5!) USER MOD Set 3.2: B 217 GLN : amide:sc= -0.449 X(o=-2.8,f=-2.5) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 244 THR OG1 : rot 49:sc= 0.0816 USER MOD Single : A 245 THR OG1 : rot 150:sc= -2.01! USER MOD Single : A 247 GLN : amide:sc= -0.488 K(o=-0.49,f=-3.6!) 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 26:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -11.052 4.834 -5.182 1.00 15.00 N ATOM 2 CA GLU A 235 -11.089 5.480 -3.851 1.00 15.00 C ATOM 3 C GLU A 235 -11.110 4.414 -2.764 1.00 15.00 C ATOM 4 O GLU A 235 -11.934 3.503 -2.790 1.00 15.00 O ATOM 5 CB GLU A 235 -12.326 6.369 -3.758 1.00 15.00 C ATOM 6 CG GLU A 235 -12.369 7.421 -4.851 1.00 15.00 C ATOM 7 CD GLU A 235 -13.744 8.020 -5.032 1.00 15.00 C ATOM 8 OE1 GLU A 235 -14.612 7.342 -5.623 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -13.954 9.172 -4.598 1.00 15.00 O ATOM 0 HA GLU A 235 -10.200 6.096 -3.713 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -13.220 5.749 -3.819 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.345 6.860 -2.785 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -11.660 8.214 -4.614 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -12.045 6.975 -5.791 1.00 15.00 H new ATOM 18 N LEU A 236 -10.201 4.542 -1.807 1.00 15.00 N ATOM 19 CA LEU A 236 -9.976 3.494 -0.820 1.00 15.00 C ATOM 20 C LEU A 236 -10.811 3.733 0.425 1.00 15.00 C ATOM 21 O LEU A 236 -11.239 4.854 0.701 1.00 15.00 O ATOM 22 CB LEU A 236 -8.500 3.419 -0.370 1.00 15.00 C ATOM 23 CG LEU A 236 -7.420 3.614 -1.439 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.688 2.744 -2.647 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.304 5.076 -1.836 1.00 15.00 C ATOM 0 H LEU A 236 -9.606 5.363 -1.693 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.259 2.562 -1.309 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.346 4.171 0.403 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.340 2.446 0.095 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.466 3.306 -1.010 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.906 2.902 -3.390 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.696 1.696 -2.346 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.655 3.006 -3.076 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.530 5.186 -2.596 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.257 5.421 -2.236 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -7.041 5.671 -0.961 1.00 15.00 H new ATOM 37 N PRO A 237 -11.023 2.669 1.199 1.00 15.00 N ATOM 38 CA PRO A 237 -11.514 2.769 2.575 1.00 15.00 C ATOM 39 C PRO A 237 -10.450 3.369 3.471 1.00 15.00 C ATOM 40 O PRO A 237 -9.279 3.470 3.097 1.00 15.00 O ATOM 41 CB PRO A 237 -11.790 1.307 2.968 1.00 15.00 C ATOM 42 CG PRO A 237 -11.788 0.542 1.686 1.00 15.00 C ATOM 43 CD PRO A 237 -10.848 1.275 0.775 1.00 15.00 C ATOM 0 HA PRO A 237 -12.393 3.406 2.670 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.026 0.933 3.649 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.748 1.212 3.480 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.459 -0.485 1.844 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.789 0.493 1.258 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.818 0.939 0.898 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.106 1.134 -0.274 1.00 15.00 H new ATOM 51 N GLU A 238 -10.863 3.764 4.646 1.00 15.00 N ATOM 52 CA GLU A 238 -9.959 4.414 5.585 1.00 15.00 C ATOM 53 C GLU A 238 -8.931 3.428 6.123 1.00 15.00 C ATOM 54 O GLU A 238 -9.208 2.234 6.267 1.00 15.00 O ATOM 55 CB GLU A 238 -10.730 5.014 6.759 1.00 15.00 C ATOM 56 CG GLU A 238 -11.867 5.924 6.344 1.00 15.00 C ATOM 57 CD GLU A 238 -13.202 5.208 6.328 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.434 4.382 5.425 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -14.024 5.460 7.237 1.00 15.00 O ATOM 0 H GLU A 238 -11.818 3.651 4.985 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.448 5.210 5.043 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.130 4.205 7.370 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.038 5.576 7.386 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.920 6.771 7.029 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -11.662 6.328 5.353 1.00 15.00 H new ATOM 66 N GLY A 239 -7.759 3.948 6.449 1.00 15.00 N ATOM 67 CA GLY A 239 -6.696 3.124 6.983 1.00 15.00 C ATOM 68 C GLY A 239 -5.646 2.736 5.956 1.00 15.00 C ATOM 69 O GLY A 239 -4.670 2.067 6.295 1.00 15.00 O ATOM 0 H GLY A 239 -7.523 4.936 6.352 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.211 3.657 7.801 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.129 2.218 7.406 1.00 15.00 H new ATOM 73 N TYR A 240 -5.828 3.142 4.702 1.00 15.00 N ATOM 74 CA TYR A 240 -4.839 2.838 3.670 1.00 15.00 C ATOM 75 C TYR A 240 -4.015 4.069 3.340 1.00 15.00 C ATOM 76 O TYR A 240 -4.539 5.064 2.837 1.00 15.00 O ATOM 77 CB TYR A 240 -5.486 2.313 2.379 1.00 15.00 C ATOM 78 CG TYR A 240 -6.293 1.056 2.570 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.666 -0.157 2.784 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.678 1.085 2.550 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.398 -1.313 2.979 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.417 -0.059 2.749 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.775 -1.259 2.963 1.00 15.00 C ATOM 84 OH TYR A 240 -8.506 -2.408 3.158 1.00 15.00 O ATOM 0 H TYR A 240 -6.636 3.673 4.379 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.198 2.055 4.076 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.131 3.088 1.966 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.704 2.123 1.643 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.587 -0.202 2.799 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.187 2.022 2.375 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.894 -2.254 3.143 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.496 -0.016 2.737 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.462 -2.198 3.118 1.00 15.00 H new ATOM 94 N GLU A 241 -2.733 3.997 3.631 1.00 15.00 N ATOM 95 CA GLU A 241 -1.811 5.054 3.274 1.00 15.00 C ATOM 96 C GLU A 241 -1.139 4.703 1.957 1.00 15.00 C ATOM 97 O GLU A 241 -0.524 3.645 1.831 1.00 15.00 O ATOM 98 CB GLU A 241 -0.753 5.242 4.363 1.00 15.00 C ATOM 99 CG GLU A 241 -1.333 5.304 5.763 1.00 15.00 C ATOM 100 CD GLU A 241 -0.335 5.787 6.793 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.767 5.206 6.888 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 -0.645 6.763 7.509 1.00 15.00 O ATOM 0 H GLU A 241 -2.303 3.210 4.118 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.364 5.988 3.172 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.038 4.421 4.310 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.199 6.160 4.166 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -2.198 5.967 5.763 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -1.690 4.314 6.047 1.00 15.00 H new ATOM 109 N GLN A 242 -1.261 5.578 0.975 1.00 15.00 N ATOM 110 CA GLN A 242 -0.652 5.332 -0.316 1.00 15.00 C ATOM 111 C GLN A 242 0.753 5.908 -0.310 1.00 15.00 C ATOM 112 O GLN A 242 0.936 7.124 -0.267 1.00 15.00 O ATOM 113 CB GLN A 242 -1.503 5.946 -1.439 1.00 15.00 C ATOM 114 CG GLN A 242 -1.123 5.478 -2.841 1.00 15.00 C ATOM 115 CD GLN A 242 0.078 6.204 -3.417 1.00 15.00 C ATOM 116 OE1 GLN A 242 0.307 7.381 -3.142 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.859 5.504 -4.218 1.00 15.00 N ATOM 0 H GLN A 242 -1.772 6.458 1.047 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.597 4.259 -0.502 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.550 5.704 -1.259 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.414 7.031 -1.394 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.913 4.409 -2.814 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.975 5.618 -3.506 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.637 4.530 -4.423 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.684 5.937 -4.632 1.00 15.00 H new ATOM 126 N ARG A 243 1.741 5.032 -0.299 1.00 15.00 N ATOM 127 CA ARG A 243 3.126 5.465 -0.277 1.00 15.00 C ATOM 128 C ARG A 243 3.798 5.288 -1.618 1.00 15.00 C ATOM 129 O ARG A 243 3.495 4.372 -2.389 1.00 15.00 O ATOM 130 CB ARG A 243 3.933 4.755 0.805 1.00 15.00 C ATOM 131 CG ARG A 243 3.924 5.483 2.133 1.00 15.00 C ATOM 132 CD ARG A 243 4.810 4.774 3.137 1.00 15.00 C ATOM 133 NE ARG A 243 4.933 5.503 4.399 1.00 15.00 N ATOM 134 CZ ARG A 243 3.983 5.575 5.336 1.00 15.00 C ATOM 135 NH1 ARG A 243 2.806 4.983 5.153 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.217 6.242 6.460 1.00 15.00 N ATOM 0 H ARG A 243 1.611 4.020 -0.305 1.00 15.00 H new ATOM 0 HA ARG A 243 3.102 6.529 -0.043 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.534 3.751 0.946 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.963 4.644 0.466 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.270 6.507 1.994 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.905 5.540 2.516 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.406 3.781 3.334 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.801 4.634 2.705 1.00 15.00 H new ATOM 0 HE ARG A 243 5.810 5.993 4.577 1.00 15.00 H new ATOM 0 HH11 ARG A 243 2.622 4.468 4.292 1.00 15.00 H new ATOM 0 HH12 ARG A 243 2.087 5.044 5.874 1.00 15.00 H new ATOM 0 HH21 ARG A 243 5.119 6.696 6.605 1.00 15.00 H new ATOM 0 HH22 ARG A 243 3.495 6.300 7.178 1.00 15.00 H new ATOM 150 N THR A 244 4.744 6.166 -1.843 1.00 15.00 N ATOM 151 CA THR A 244 5.492 6.241 -3.076 1.00 15.00 C ATOM 152 C THR A 244 6.979 6.215 -2.764 1.00 15.00 C ATOM 153 O THR A 244 7.573 7.227 -2.390 1.00 15.00 O ATOM 154 CB THR A 244 5.136 7.522 -3.850 1.00 15.00 C ATOM 155 OG1 THR A 244 5.041 8.630 -2.939 1.00 15.00 O ATOM 156 CG2 THR A 244 3.822 7.361 -4.603 1.00 15.00 C ATOM 0 H THR A 244 5.023 6.867 -1.157 1.00 15.00 H new ATOM 0 HA THR A 244 5.235 5.385 -3.700 1.00 15.00 H new ATOM 0 HB THR A 244 5.925 7.712 -4.577 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.833 8.648 -2.362 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.596 8.282 -5.141 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.908 6.538 -5.313 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.021 7.148 -3.895 1.00 15.00 H new ATOM 164 N THR A 245 7.565 5.043 -2.888 1.00 15.00 N ATOM 165 CA THR A 245 8.948 4.838 -2.508 1.00 15.00 C ATOM 166 C THR A 245 9.881 5.107 -3.675 1.00 15.00 C ATOM 167 O THR A 245 9.500 4.944 -4.835 1.00 15.00 O ATOM 168 CB THR A 245 9.174 3.411 -1.968 1.00 15.00 C ATOM 169 OG1 THR A 245 10.572 3.172 -1.764 1.00 15.00 O ATOM 170 CG2 THR A 245 8.604 2.363 -2.916 1.00 15.00 C ATOM 0 H THR A 245 7.101 4.211 -3.252 1.00 15.00 H new ATOM 0 HA THR A 245 9.174 5.547 -1.712 1.00 15.00 H new ATOM 0 HB THR A 245 8.651 3.330 -1.015 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.691 2.537 -1.027 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.780 1.368 -2.507 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.532 2.523 -3.033 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.092 2.447 -3.887 1.00 15.00 H new ATOM 178 N VAL A 246 11.094 5.548 -3.347 1.00 15.00 N ATOM 179 CA VAL A 246 12.145 5.809 -4.331 1.00 15.00 C ATOM 180 C VAL A 246 12.357 4.627 -5.279 1.00 15.00 C ATOM 181 O VAL A 246 12.947 4.777 -6.351 1.00 15.00 O ATOM 182 CB VAL A 246 13.481 6.131 -3.638 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.442 7.522 -3.020 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.807 5.081 -2.579 1.00 15.00 C ATOM 0 H VAL A 246 11.378 5.736 -2.385 1.00 15.00 H new ATOM 0 HA VAL A 246 11.811 6.668 -4.913 1.00 15.00 H new ATOM 0 HB VAL A 246 14.269 6.112 -4.391 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.395 7.731 -2.535 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.262 8.262 -3.800 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.641 7.570 -2.282 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.755 5.328 -2.102 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.017 5.064 -1.829 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.882 4.101 -3.050 1.00 15.00 H new ATOM 194 N GLN A 247 11.898 3.455 -4.861 1.00 15.00 N ATOM 195 CA GLN A 247 11.898 2.260 -5.705 1.00 15.00 C ATOM 196 C GLN A 247 11.155 2.517 -7.017 1.00 15.00 C ATOM 197 O GLN A 247 11.397 1.851 -8.023 1.00 15.00 O ATOM 198 CB GLN A 247 11.231 1.088 -4.977 1.00 15.00 C ATOM 199 CG GLN A 247 11.751 0.847 -3.569 1.00 15.00 C ATOM 200 CD GLN A 247 13.268 0.766 -3.505 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.954 1.774 -3.332 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.797 -0.437 -3.641 1.00 15.00 N ATOM 0 H GLN A 247 11.515 3.302 -3.928 1.00 15.00 H new ATOM 0 HA GLN A 247 12.937 2.012 -5.924 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.157 1.269 -4.929 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.375 0.181 -5.565 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.407 1.650 -2.918 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.326 -0.080 -3.184 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.193 -1.247 -3.783 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.809 -0.556 -3.604 1.00 15.00 H new ATOM 211 N GLY A 248 10.225 3.464 -6.982 1.00 15.00 N ATOM 212 CA GLY A 248 9.456 3.806 -8.161 1.00 15.00 C ATOM 213 C GLY A 248 8.205 2.965 -8.285 1.00 15.00 C ATOM 214 O GLY A 248 7.741 2.690 -9.390 1.00 15.00 O ATOM 0 H GLY A 248 9.989 4.005 -6.150 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.182 4.860 -8.122 1.00 15.00 H new ATOM 0 HA3 GLY A 248 10.074 3.670 -9.049 1.00 15.00 H new ATOM 218 N GLN A 249 7.653 2.557 -7.150 1.00 15.00 N ATOM 219 CA GLN A 249 6.484 1.689 -7.140 1.00 15.00 C ATOM 220 C GLN A 249 5.460 2.191 -6.134 1.00 15.00 C ATOM 221 O GLN A 249 5.820 2.651 -5.045 1.00 15.00 O ATOM 222 CB GLN A 249 6.879 0.247 -6.786 1.00 15.00 C ATOM 223 CG GLN A 249 8.374 -0.008 -6.808 1.00 15.00 C ATOM 224 CD GLN A 249 8.743 -1.459 -6.563 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.830 -2.255 -7.494 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.986 -1.812 -5.306 1.00 15.00 N ATOM 0 H GLN A 249 7.996 2.813 -6.224 1.00 15.00 H new ATOM 0 HA GLN A 249 6.048 1.703 -8.139 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.495 0.010 -5.794 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.395 -0.433 -7.486 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.774 0.302 -7.773 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.852 0.613 -6.051 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.904 -1.123 -4.558 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.255 -2.772 -5.089 1.00 15.00 H new ATOM 235 N VAL A 250 4.192 2.080 -6.496 1.00 15.00 N ATOM 236 CA VAL A 250 3.101 2.428 -5.593 1.00 15.00 C ATOM 237 C VAL A 250 2.693 1.207 -4.782 1.00 15.00 C ATOM 238 O VAL A 250 2.566 0.110 -5.321 1.00 15.00 O ATOM 239 CB VAL A 250 1.865 2.975 -6.352 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.167 4.331 -6.967 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.405 2.002 -7.431 1.00 15.00 C ATOM 0 H VAL A 250 3.890 1.750 -7.413 1.00 15.00 H new ATOM 0 HA VAL A 250 3.464 3.216 -4.934 1.00 15.00 H new ATOM 0 HB VAL A 250 1.058 3.090 -5.628 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.286 4.696 -7.495 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.436 5.036 -6.180 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.996 4.236 -7.668 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.537 2.413 -7.946 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.211 1.846 -8.148 1.00 15.00 H new ATOM 0 HG23 VAL A 250 1.137 1.050 -6.972 1.00 15.00 H new ATOM 251 N TYR A 251 2.505 1.384 -3.485 1.00 15.00 N ATOM 252 CA TYR A 251 2.104 0.275 -2.640 1.00 15.00 C ATOM 253 C TYR A 251 1.122 0.747 -1.571 1.00 15.00 C ATOM 254 O TYR A 251 1.296 1.813 -0.971 1.00 15.00 O ATOM 255 CB TYR A 251 3.353 -0.430 -2.062 1.00 15.00 C ATOM 256 CG TYR A 251 4.224 0.368 -1.097 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.761 0.754 0.156 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.542 0.683 -1.429 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.575 1.430 1.042 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.356 1.363 -0.549 1.00 15.00 C ATOM 261 CZ TYR A 251 5.869 1.733 0.686 1.00 15.00 C ATOM 262 OH TYR A 251 6.682 2.400 1.573 1.00 15.00 O ATOM 0 H TYR A 251 2.622 2.274 -3.000 1.00 15.00 H new ATOM 0 HA TYR A 251 1.573 -0.470 -3.233 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.023 -1.334 -1.550 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.978 -0.747 -2.897 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.746 0.521 0.441 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.931 0.389 -2.393 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.198 1.720 2.011 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.371 1.605 -0.826 1.00 15.00 H new ATOM 0 HH TYR A 251 7.564 2.536 1.169 1.00 15.00 H new ATOM 272 N PHE A 252 0.067 -0.032 -1.371 1.00 15.00 N ATOM 273 CA PHE A 252 -0.989 0.331 -0.435 1.00 15.00 C ATOM 274 C PHE A 252 -0.699 -0.205 0.948 1.00 15.00 C ATOM 275 O PHE A 252 -0.485 -1.404 1.132 1.00 15.00 O ATOM 276 CB PHE A 252 -2.343 -0.167 -0.936 1.00 15.00 C ATOM 277 CG PHE A 252 -2.817 0.631 -2.118 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.941 2.009 -2.023 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.077 0.023 -3.339 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.322 2.762 -3.117 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.446 0.775 -4.439 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.569 2.145 -4.326 1.00 15.00 C ATOM 0 H PHE A 252 -0.080 -0.922 -1.846 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.024 1.419 -0.370 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.266 -1.219 -1.212 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.077 -0.101 -0.133 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.737 2.499 -1.083 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.990 -1.050 -3.430 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.426 3.833 -3.026 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.638 0.291 -5.385 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.859 2.734 -5.184 1.00 15.00 H new ATOM 292 N LEU A 253 -0.707 0.696 1.915 1.00 15.00 N ATOM 293 CA LEU A 253 -0.335 0.357 3.269 1.00 15.00 C ATOM 294 C LEU A 253 -1.514 0.473 4.224 1.00 15.00 C ATOM 295 O LEU A 253 -2.007 1.565 4.490 1.00 15.00 O ATOM 296 CB LEU A 253 0.777 1.285 3.741 1.00 15.00 C ATOM 297 CG LEU A 253 1.956 0.619 4.447 1.00 15.00 C ATOM 298 CD1 LEU A 253 2.864 1.683 5.010 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.502 -0.307 5.559 1.00 15.00 C ATOM 0 H LEU A 253 -0.969 1.673 1.782 1.00 15.00 H new ATOM 0 HA LEU A 253 0.005 -0.679 3.269 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.158 1.830 2.877 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.344 2.022 4.418 1.00 15.00 H new ATOM 0 HG LEU A 253 2.490 0.014 3.714 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.707 1.212 5.515 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.232 2.313 4.200 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.310 2.294 5.722 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.373 -0.759 6.034 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.939 0.262 6.299 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.867 -1.090 5.144 1.00 15.00 H new ATOM 311 N HIS A 254 -1.967 -0.657 4.717 1.00 15.00 N ATOM 312 CA HIS A 254 -2.877 -0.679 5.845 1.00 15.00 C ATOM 313 C HIS A 254 -2.247 -1.497 6.932 1.00 15.00 C ATOM 314 O HIS A 254 -2.410 -2.720 6.963 1.00 15.00 O ATOM 315 CB HIS A 254 -4.243 -1.283 5.487 1.00 15.00 C ATOM 316 CG HIS A 254 -5.149 -1.508 6.672 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.294 -2.738 7.280 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.931 -0.651 7.374 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.120 -2.629 8.308 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.520 -1.374 8.383 1.00 15.00 N ATOM 0 H HIS A 254 -1.720 -1.578 4.354 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.053 0.348 6.163 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.745 -0.623 4.780 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.085 -2.234 4.979 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.066 0.402 7.177 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.416 -3.429 8.971 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.164 -1.000 9.080 1.00 15.00 H new ATOM 329 N THR A 255 -1.486 -0.883 7.806 1.00 15.00 N ATOM 330 CA THR A 255 -0.883 -1.697 8.812 1.00 15.00 C ATOM 331 C THR A 255 -1.717 -1.666 10.081 1.00 15.00 C ATOM 332 O THR A 255 -1.568 -0.825 10.965 1.00 15.00 O ATOM 333 CB THR A 255 0.589 -1.289 9.086 1.00 15.00 C ATOM 334 OG1 THR A 255 1.144 -2.109 10.119 1.00 15.00 O ATOM 335 CG2 THR A 255 0.715 0.184 9.462 1.00 15.00 C ATOM 0 H THR A 255 -1.282 0.116 7.839 1.00 15.00 H new ATOM 0 HA THR A 255 -0.855 -2.722 8.443 1.00 15.00 H new ATOM 0 HB THR A 255 1.147 -1.440 8.162 1.00 15.00 H new ATOM 0 HG1 THR A 255 2.073 -1.844 10.283 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.762 0.425 9.645 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.338 0.801 8.647 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.135 0.380 10.364 1.00 15.00 H new ATOM 343 N GLN A 256 -2.657 -2.584 10.097 1.00 15.00 N ATOM 344 CA GLN A 256 -3.182 -3.180 11.295 1.00 15.00 C ATOM 345 C GLN A 256 -2.512 -4.530 11.412 1.00 15.00 C ATOM 346 O GLN A 256 -1.931 -4.896 12.429 1.00 15.00 O ATOM 347 CB GLN A 256 -4.698 -3.321 11.187 1.00 15.00 C ATOM 348 CG GLN A 256 -5.371 -3.790 12.458 1.00 15.00 C ATOM 349 CD GLN A 256 -6.872 -3.871 12.308 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.386 -4.127 11.219 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.584 -3.641 13.397 1.00 15.00 N ATOM 0 H GLN A 256 -3.088 -2.945 9.246 1.00 15.00 H new ATOM 0 HA GLN A 256 -2.985 -2.571 12.177 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.121 -2.359 10.899 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -4.930 -4.023 10.386 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -4.981 -4.770 12.734 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.124 -3.108 13.272 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.115 -3.433 14.278 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.603 -3.672 13.356 1.00 15.00 H new ATOM 360 N THR A 257 -2.610 -5.251 10.293 1.00 15.00 N ATOM 361 CA THR A 257 -2.027 -6.566 10.133 1.00 15.00 C ATOM 362 C THR A 257 -0.708 -6.501 9.452 1.00 15.00 C ATOM 363 O THR A 257 0.117 -7.414 9.421 1.00 15.00 O ATOM 364 CB THR A 257 -2.997 -7.533 9.433 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.318 -7.021 8.131 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.285 -7.682 10.233 1.00 15.00 C ATOM 0 H THR A 257 -3.107 -4.924 9.464 1.00 15.00 H new ATOM 0 HA THR A 257 -1.846 -6.968 11.130 1.00 15.00 H new ATOM 0 HB THR A 257 -2.516 -8.508 9.353 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.935 -7.635 7.681 1.00 15.00 H new ATOM 0 HG21 THR A 257 -4.955 -8.370 9.718 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.055 -8.073 11.224 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.768 -6.710 10.330 1.00 15.00 H new ATOM 374 N GLY A 258 -0.581 -5.370 8.960 1.00 15.00 N ATOM 375 CA GLY A 258 0.513 -4.985 8.095 1.00 15.00 C ATOM 376 C GLY A 258 0.251 -5.302 6.636 1.00 15.00 C ATOM 377 O GLY A 258 0.806 -6.259 6.092 1.00 15.00 O ATOM 0 H GLY A 258 -1.246 -4.616 9.130 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.695 -3.916 8.202 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.420 -5.497 8.416 1.00 15.00 H new ATOM 381 N VAL A 259 -0.606 -4.512 6.004 1.00 15.00 N ATOM 382 CA VAL A 259 -0.816 -4.629 4.558 1.00 15.00 C ATOM 383 C VAL A 259 0.130 -3.743 3.773 1.00 15.00 C ATOM 384 O VAL A 259 0.166 -2.530 3.947 1.00 15.00 O ATOM 385 CB VAL A 259 -2.265 -4.316 4.103 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.353 -4.237 2.584 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.192 -5.398 4.603 1.00 15.00 C ATOM 0 H VAL A 259 -1.164 -3.789 6.459 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.614 -5.679 4.346 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.558 -3.351 4.518 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.379 -4.016 2.290 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.694 -3.448 2.222 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.049 -5.190 2.152 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.211 -5.180 4.284 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.882 -6.360 4.195 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.153 -5.436 5.692 1.00 15.00 H new ATOM 397 N SER A 260 0.886 -4.393 2.917 1.00 15.00 N ATOM 398 CA SER A 260 1.708 -3.733 1.914 1.00 15.00 C ATOM 399 C SER A 260 1.524 -4.468 0.600 1.00 15.00 C ATOM 400 O SER A 260 2.034 -5.574 0.418 1.00 15.00 O ATOM 401 CB SER A 260 3.185 -3.711 2.324 1.00 15.00 C ATOM 402 OG SER A 260 3.518 -4.862 3.085 1.00 15.00 O ATOM 0 H SER A 260 0.952 -5.411 2.893 1.00 15.00 H new ATOM 0 HA SER A 260 1.396 -2.694 1.812 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.813 -3.665 1.434 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.391 -2.813 2.907 1.00 15.00 H new ATOM 0 HG SER A 260 4.465 -4.827 3.334 1.00 15.00 H new ATOM 408 N THR A 261 0.753 -3.886 -0.295 1.00 15.00 N ATOM 409 CA THR A 261 0.314 -4.627 -1.465 1.00 15.00 C ATOM 410 C THR A 261 0.247 -3.768 -2.723 1.00 15.00 C ATOM 411 O THR A 261 0.040 -2.552 -2.657 1.00 15.00 O ATOM 412 CB THR A 261 -1.054 -5.291 -1.214 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.359 -6.192 -2.284 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.163 -4.252 -1.081 1.00 15.00 C ATOM 0 H THR A 261 0.422 -2.923 -0.241 1.00 15.00 H new ATOM 0 HA THR A 261 1.067 -5.396 -1.636 1.00 15.00 H new ATOM 0 HB THR A 261 -0.994 -5.842 -0.275 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.623 -7.061 -1.915 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.114 -4.755 -0.905 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.942 -3.589 -0.244 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.226 -3.668 -1.999 1.00 15.00 H new ATOM 422 N TRP A 262 0.462 -4.423 -3.863 1.00 15.00 N ATOM 423 CA TRP A 262 0.406 -3.769 -5.166 1.00 15.00 C ATOM 424 C TRP A 262 -1.025 -3.404 -5.558 1.00 15.00 C ATOM 425 O TRP A 262 -1.248 -2.421 -6.264 1.00 15.00 O ATOM 426 CB TRP A 262 0.974 -4.683 -6.253 1.00 15.00 C ATOM 427 CG TRP A 262 2.423 -5.017 -6.099 1.00 15.00 C ATOM 428 CD1 TRP A 262 2.964 -6.233 -5.818 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.512 -4.125 -6.128 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.302 -6.186 -5.822 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.669 -4.911 -5.973 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.649 -2.750 -6.299 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.914 -4.387 -5.973 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.916 -2.230 -6.251 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.013 -3.069 -6.089 1.00 15.00 C ATOM 0 H TRP A 262 0.679 -5.419 -3.908 1.00 15.00 H new ATOM 0 HA TRP A 262 1.000 -2.859 -5.082 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.401 -5.610 -6.264 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.827 -4.206 -7.222 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.387 -7.124 -5.617 1.00 15.00 H new ATOM 0 HE1 TRP A 262 4.930 -6.984 -5.727 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.789 -2.117 -6.463 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.790 -5.013 -5.883 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 5.063 -1.164 -6.339 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.997 -2.625 -6.056 1.00 15.00 H new ATOM 446 N HIS A 263 -1.988 -4.215 -5.137 1.00 15.00 N ATOM 447 CA HIS A 263 -3.360 -4.042 -5.601 1.00 15.00 C ATOM 448 C HIS A 263 -4.103 -3.036 -4.739 1.00 15.00 C ATOM 449 O HIS A 263 -3.985 -3.043 -3.512 1.00 15.00 O ATOM 450 CB HIS A 263 -4.123 -5.384 -5.633 1.00 15.00 C ATOM 451 CG HIS A 263 -4.685 -5.847 -4.313 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.021 -5.756 -3.984 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.084 -6.423 -3.248 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.212 -6.255 -2.776 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.052 -6.666 -2.308 1.00 15.00 N ATOM 0 H HIS A 263 -1.849 -4.987 -4.485 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.310 -3.659 -6.620 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.943 -5.298 -6.346 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.451 -6.154 -6.011 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.749 -5.364 -4.581 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.032 -6.650 -3.155 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.159 -6.316 -2.260 1.00 15.00 H new ATOM 464 N ASP A 264 -4.864 -2.173 -5.397 1.00 15.00 N ATOM 465 CA ASP A 264 -5.753 -1.248 -4.712 1.00 15.00 C ATOM 466 C ASP A 264 -6.647 -2.038 -3.756 1.00 15.00 C ATOM 467 O ASP A 264 -7.230 -3.044 -4.132 1.00 15.00 O ATOM 468 CB ASP A 264 -6.571 -0.480 -5.761 1.00 15.00 C ATOM 469 CG ASP A 264 -7.531 0.533 -5.181 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.384 0.157 -4.358 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -7.457 1.716 -5.579 1.00 15.00 O ATOM 0 H ASP A 264 -4.882 -2.095 -6.414 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.191 -0.522 -4.124 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.885 0.032 -6.436 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.134 -1.195 -6.361 1.00 15.00 H new ATOM 476 N PRO A 265 -6.737 -1.621 -2.499 1.00 15.00 N ATOM 477 CA PRO A 265 -7.458 -2.376 -1.479 1.00 15.00 C ATOM 478 C PRO A 265 -8.959 -2.310 -1.625 1.00 15.00 C ATOM 479 O PRO A 265 -9.693 -3.058 -0.983 1.00 15.00 O ATOM 480 CB PRO A 265 -7.006 -1.737 -0.181 1.00 15.00 C ATOM 481 CG PRO A 265 -6.669 -0.335 -0.555 1.00 15.00 C ATOM 482 CD PRO A 265 -6.133 -0.396 -1.955 1.00 15.00 C ATOM 0 HA PRO A 265 -7.239 -3.442 -1.545 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.793 -1.769 0.573 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.143 -2.255 0.237 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.550 0.305 -0.502 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.930 0.084 0.128 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.418 0.483 -2.533 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.044 -0.446 -1.966 1.00 15.00 H new ATOM 490 N ARG A 266 -9.416 -1.378 -2.418 1.00 15.00 N ATOM 491 CA ARG A 266 -10.817 -1.295 -2.732 1.00 15.00 C ATOM 492 C ARG A 266 -11.104 -2.246 -3.871 1.00 15.00 C ATOM 493 O ARG A 266 -12.246 -2.447 -4.286 1.00 15.00 O ATOM 494 CB ARG A 266 -11.152 0.120 -3.118 1.00 15.00 C ATOM 495 CG ARG A 266 -12.635 0.416 -3.062 1.00 15.00 C ATOM 496 CD ARG A 266 -13.162 0.441 -1.638 1.00 15.00 C ATOM 497 NE ARG A 266 -14.622 0.467 -1.594 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.336 1.073 -0.646 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.737 1.769 0.313 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.658 0.996 -0.672 1.00 15.00 N ATOM 0 H ARG A 266 -8.837 -0.664 -2.859 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.427 -1.570 -1.872 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.626 0.806 -2.454 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.787 0.311 -4.127 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.830 1.378 -3.537 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -13.176 -0.337 -3.635 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.799 -0.436 -1.102 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.768 1.316 -1.121 1.00 15.00 H new ATOM 0 HE ARG A 266 -15.129 -0.011 -2.339 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.720 1.844 0.329 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.294 2.229 1.033 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -17.124 0.475 -1.415 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -17.210 1.458 0.051 1.00 15.00 H new ATOM 514 N ILE A 267 -10.031 -2.819 -4.374 1.00 15.00 N ATOM 515 CA ILE A 267 -10.126 -3.854 -5.404 1.00 15.00 C ATOM 516 C ILE A 267 -9.419 -5.135 -4.952 1.00 15.00 C ATOM 517 O ILE A 267 -9.986 -5.831 -4.086 1.00 15.00 O ATOM 518 CB ILE A 267 -9.617 -3.400 -6.808 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.138 -2.974 -6.812 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.482 -2.264 -7.334 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.600 -2.671 -8.196 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.316 -5.452 -5.451 1.00 15.00 O ATOM 0 H ILE A 267 -9.078 -2.591 -4.092 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.190 -4.056 -5.528 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.696 -4.269 -7.462 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.021 -2.091 -6.184 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.539 -3.766 -6.363 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -10.119 -1.954 -8.314 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.515 -2.603 -7.420 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.433 -1.420 -6.645 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.553 -2.377 -8.123 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.685 -3.559 -8.822 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -8.175 -1.858 -8.640 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 6.873 2.598 12.608 1.00 15.00 N ATOM 536 CA SER B 210 6.844 3.760 11.697 1.00 15.00 C ATOM 537 C SER B 210 7.557 3.444 10.381 1.00 15.00 C ATOM 538 O SER B 210 7.688 4.306 9.511 1.00 15.00 O ATOM 539 CB SER B 210 7.513 4.952 12.382 1.00 15.00 C ATOM 540 OG SER B 210 6.929 5.199 13.654 1.00 15.00 O ATOM 0 HA SER B 210 5.806 4.000 11.467 1.00 15.00 H new ATOM 0 HB2 SER B 210 8.579 4.758 12.498 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.417 5.838 11.755 1.00 15.00 H new ATOM 0 HG SER B 210 6.546 4.368 14.005 1.00 15.00 H new ATOM 548 N ASP B 211 8.009 2.204 10.227 1.00 15.00 N ATOM 549 CA ASP B 211 8.740 1.809 9.029 1.00 15.00 C ATOM 550 C ASP B 211 7.907 0.865 8.176 1.00 15.00 C ATOM 551 O ASP B 211 7.584 -0.246 8.598 1.00 15.00 O ATOM 552 CB ASP B 211 10.068 1.144 9.396 1.00 15.00 C ATOM 553 CG ASP B 211 11.021 2.094 10.091 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.756 2.821 9.389 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.037 2.111 11.343 1.00 15.00 O ATOM 0 H ASP B 211 7.883 1.459 10.912 1.00 15.00 H new ATOM 0 HA ASP B 211 8.948 2.711 8.453 1.00 15.00 H new ATOM 0 HB2 ASP B 211 9.875 0.289 10.044 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.539 0.759 8.492 1.00 15.00 H new ATOM 560 N PRO B 212 7.536 1.302 6.964 1.00 15.00 N ATOM 561 CA PRO B 212 6.754 0.502 6.025 1.00 15.00 C ATOM 562 C PRO B 212 7.622 -0.344 5.103 1.00 15.00 C ATOM 563 O PRO B 212 8.673 0.098 4.630 1.00 15.00 O ATOM 564 CB PRO B 212 6.024 1.568 5.190 1.00 15.00 C ATOM 565 CG PRO B 212 6.416 2.883 5.772 1.00 15.00 C ATOM 566 CD PRO B 212 7.740 2.647 6.436 1.00 15.00 C ATOM 0 HA PRO B 212 6.105 -0.203 6.545 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.310 1.505 4.140 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.944 1.427 5.235 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.495 3.647 4.998 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.673 3.232 6.490 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.571 2.695 5.732 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.945 3.374 7.222 1.00 15.00 H new ATOM 574 N GLY B 213 7.158 -1.555 4.835 1.00 15.00 N ATOM 575 CA GLY B 213 7.870 -2.446 3.951 1.00 15.00 C ATOM 576 C GLY B 213 7.433 -2.276 2.513 1.00 15.00 C ATOM 577 O GLY B 213 6.284 -1.922 2.239 1.00 15.00 O ATOM 0 H GLY B 213 6.293 -1.937 5.219 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.941 -2.258 4.030 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.703 -3.477 4.262 1.00 15.00 H new HETATM 581 N SEP B 214 8.351 -2.508 1.599 1.00 15.00 N HETATM 582 CA SEP B 214 8.085 -2.379 0.183 1.00 15.00 C HETATM 583 CB SEP B 214 9.317 -1.853 -0.548 1.00 15.00 C HETATM 584 OG SEP B 214 10.496 -2.053 0.199 1.00 15.00 O HETATM 585 C SEP B 214 7.607 -3.695 -0.431 1.00 15.00 C HETATM 586 O SEP B 214 7.829 -4.778 0.119 1.00 15.00 O HETATM 587 P SEP B 214 11.827 -1.162 -0.026 1.00 15.00 P HETATM 588 O1P SEP B 214 12.543 -1.679 -1.194 1.00 15.00 O HETATM 589 O2P SEP B 214 12.663 -1.265 1.172 1.00 15.00 O HETATM 590 O3P SEP B 214 11.424 0.232 -0.247 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.409 -2.353 -1.512 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.192 -0.789 -0.752 1.00 15.00 H new HETATM 0 HA SEP B 214 7.276 -1.658 0.066 1.00 15.00 H new HETATM 0 H SEP B 214 9.267 -2.258 1.971 1.00 15.00 H new ATOM 595 N PRO B 215 6.964 -3.599 -1.601 1.00 15.00 N ATOM 596 CA PRO B 215 6.410 -4.749 -2.324 1.00 15.00 C ATOM 597 C PRO B 215 7.444 -5.371 -3.261 1.00 15.00 C ATOM 598 O PRO B 215 8.246 -4.662 -3.877 1.00 15.00 O ATOM 599 CB PRO B 215 5.364 -4.096 -3.240 1.00 15.00 C ATOM 600 CG PRO B 215 5.263 -2.683 -2.822 1.00 15.00 C ATOM 601 CD PRO B 215 6.585 -2.342 -2.230 1.00 15.00 C ATOM 0 HA PRO B 215 6.052 -5.517 -1.638 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.663 -4.171 -4.285 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.401 -4.598 -3.148 1.00 15.00 H new ATOM 0 HG2 PRO B 215 5.037 -2.039 -3.672 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.462 -2.546 -2.096 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.304 -2.031 -2.988 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.512 -1.529 -1.507 1.00 15.00 H new ATOM 609 N PHE B 216 7.416 -6.691 -3.377 1.00 15.00 N ATOM 610 CA PHE B 216 8.356 -7.397 -4.233 1.00 15.00 C ATOM 611 C PHE B 216 7.632 -8.032 -5.413 1.00 15.00 C ATOM 612 O PHE B 216 6.401 -8.041 -5.466 1.00 15.00 O ATOM 613 CB PHE B 216 9.104 -8.463 -3.433 1.00 15.00 C ATOM 614 CG PHE B 216 9.886 -7.899 -2.286 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.071 -7.223 -2.511 1.00 15.00 C ATOM 616 CD2 PHE B 216 9.430 -8.034 -0.985 1.00 15.00 C ATOM 617 CE1 PHE B 216 11.790 -6.692 -1.460 1.00 15.00 C ATOM 618 CE2 PHE B 216 10.145 -7.504 0.070 1.00 15.00 C ATOM 619 CZ PHE B 216 11.326 -6.833 -0.167 1.00 15.00 C ATOM 0 H PHE B 216 6.753 -7.293 -2.889 1.00 15.00 H new ATOM 0 HA PHE B 216 9.079 -6.678 -4.619 1.00 15.00 H new ATOM 0 HB2 PHE B 216 8.388 -9.192 -3.053 1.00 15.00 H new ATOM 0 HB3 PHE B 216 9.782 -8.999 -4.098 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.438 -7.109 -3.520 1.00 15.00 H new ATOM 0 HD2 PHE B 216 8.506 -8.559 -0.794 1.00 15.00 H new ATOM 0 HE1 PHE B 216 12.715 -6.167 -1.648 1.00 15.00 H new ATOM 0 HE2 PHE B 216 9.780 -7.615 1.080 1.00 15.00 H new ATOM 0 HZ PHE B 216 11.887 -6.418 0.657 1.00 15.00 H new ATOM 629 N GLN B 217 8.401 -8.548 -6.355 1.00 15.00 N ATOM 630 CA GLN B 217 7.845 -9.188 -7.536 1.00 15.00 C ATOM 631 C GLN B 217 7.756 -10.690 -7.309 1.00 15.00 C ATOM 632 O GLN B 217 8.802 -11.367 -7.396 1.00 15.00 O ATOM 633 CB GLN B 217 8.693 -8.897 -8.781 1.00 15.00 C ATOM 634 CG GLN B 217 8.609 -7.461 -9.298 1.00 15.00 C ATOM 635 CD GLN B 217 9.316 -6.446 -8.413 1.00 15.00 C ATOM 636 OE1 GLN B 217 10.516 -6.222 -8.548 1.00 15.00 O ATOM 637 NE2 GLN B 217 8.573 -5.802 -7.525 1.00 15.00 N ATOM 638 OXT GLN B 217 6.651 -11.185 -7.020 1.00 15.00 O ATOM 0 H GLN B 217 9.420 -8.536 -6.325 1.00 15.00 H new ATOM 0 HA GLN B 217 6.848 -8.782 -7.707 1.00 15.00 H new ATOM 0 HB2 GLN B 217 9.734 -9.125 -8.554 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.385 -9.573 -9.578 1.00 15.00 H new ATOM 0 HG2 GLN B 217 9.040 -7.419 -10.298 1.00 15.00 H new ATOM 0 HG3 GLN B 217 7.560 -7.179 -9.391 1.00 15.00 H new ATOM 0 HE21 GLN B 217 7.579 -6.015 -7.441 1.00 15.00 H new ATOM 0 HE22 GLN B 217 8.995 -5.093 -6.925 1.00 15.00 H new TER 647 GLN B 217