USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 559 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 267 GLN : amide:sc= -1.62 K(o=-2.7,f=-0.68) USER MOD Set 1.2: A 296 THR OG1 : rot 180:sc= -1.05 USER MOD Set 2.1: A 248 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 312 THR OG1 : rot -132:sc= -0.0314 USER MOD Set 3.1: A 232 THR OG1 : rot 110:sc= 0.283 USER MOD Set 3.2: A 250 THR OG1 : rot 83:sc= 0.185 USER MOD Single : A 227 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -156:sc= -0.144 (180deg=-0.717) USER MOD Single : A 233 GLN : amide:sc= 0.173 K(o=0.17,f=-0.89) USER MOD Single : A 235 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 238 TYR OH : rot -70:sc= 1.63 USER MOD Single : A 239 ASN : amide:sc= -0.75 K(o=-0.75,f=-6.6!) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 245 TYR OH : rot 150:sc= 0 USER MOD Single : A 246 GLN : amide:sc= -0.0148 K(o=-0.015,f=-3.3!) USER MOD Single : A 252 THR OG1 : rot 172:sc= -1.32 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : A 259 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 LYS NZ :NH3+ 159:sc= -0.127 (180deg=-0.587) USER MOD Single : A 271 THR OG1 : rot 180:sc= 0 USER MOD Single : A 272 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.2!) USER MOD Single : A 292 SER OG : rot -29:sc= 0.187 USER MOD Single : A 294 THR OG1 : rot 180:sc= 0 USER MOD Single : A 298 THR OG1 : rot 160:sc= 0 USER MOD Single : A 302 ASN : amide:sc= -2! K(o=-2!,f=-0.94) USER MOD Single : A 303 SER OG : rot -92:sc= 1 USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 310 THR OG1 : rot 170:sc= -2.97! USER MOD Single : A 314 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 340 SER OG : rot 180:sc= -0.0022 USER MOD ----------------------------------------------------------------- ATOM 47 N GLY A 226 12.178 -5.564 -10.119 1.00 0.00 N ATOM 48 CA GLY A 226 12.094 -5.086 -8.748 1.00 0.00 C ATOM 49 C GLY A 226 10.928 -5.689 -7.991 1.00 0.00 C ATOM 50 O GLY A 226 9.767 -5.443 -8.322 1.00 0.00 O ATOM 0 HA2 GLY A 226 13.022 -5.323 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 226 11.998 -4.000 -8.751 1.00 0.00 H new ATOM 54 N THR A 227 11.239 -6.480 -6.976 1.00 0.00 N ATOM 55 CA THR A 227 10.220 -7.176 -6.209 1.00 0.00 C ATOM 56 C THR A 227 10.515 -7.087 -4.714 1.00 0.00 C ATOM 57 O THR A 227 11.658 -7.250 -4.282 1.00 0.00 O ATOM 58 CB THR A 227 10.141 -8.657 -6.621 1.00 0.00 C ATOM 59 OG1 THR A 227 10.031 -8.761 -8.048 1.00 0.00 O ATOM 60 CG2 THR A 227 8.949 -9.350 -5.973 1.00 0.00 C ATOM 0 H THR A 227 12.194 -6.656 -6.664 1.00 0.00 H new ATOM 0 HA THR A 227 9.264 -6.695 -6.417 1.00 0.00 H new ATOM 0 HB THR A 227 11.053 -9.148 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 227 9.983 -9.706 -8.304 1.00 0.00 H new ATOM 0 HG21 THR A 227 8.922 -10.394 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 227 9.043 -9.297 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 227 8.028 -8.855 -6.282 1.00 0.00 H new ATOM 68 N LEU A 228 9.481 -6.825 -3.933 1.00 0.00 N ATOM 69 CA LEU A 228 9.606 -6.690 -2.493 1.00 0.00 C ATOM 70 C LEU A 228 8.421 -7.364 -1.807 1.00 0.00 C ATOM 71 O LEU A 228 7.504 -7.849 -2.475 1.00 0.00 O ATOM 72 CB LEU A 228 9.678 -5.205 -2.122 1.00 0.00 C ATOM 73 CG LEU A 228 10.934 -4.460 -2.649 1.00 0.00 C ATOM 74 CD1 LEU A 228 10.526 -3.376 -3.637 1.00 0.00 C ATOM 75 CD2 LEU A 228 11.758 -3.847 -1.519 1.00 0.00 C ATOM 0 H LEU A 228 8.530 -6.700 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 228 10.521 -7.177 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 228 8.789 -4.706 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.649 -5.115 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 228 11.560 -5.198 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 228 11.415 -2.861 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 228 10.001 -3.829 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 228 9.869 -2.661 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.626 -3.337 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 228 11.146 -3.132 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 228 12.091 -4.634 -0.843 1.00 0.00 H new ATOM 87 N THR A 229 8.441 -7.398 -0.488 1.00 0.00 N ATOM 88 CA THR A 229 7.422 -8.093 0.281 1.00 0.00 C ATOM 89 C THR A 229 6.878 -7.183 1.390 1.00 0.00 C ATOM 90 O THR A 229 7.506 -6.186 1.736 1.00 0.00 O ATOM 91 CB THR A 229 8.044 -9.358 0.900 1.00 0.00 C ATOM 92 OG1 THR A 229 8.715 -10.112 -0.118 1.00 0.00 O ATOM 93 CG2 THR A 229 7.008 -10.245 1.584 1.00 0.00 C ATOM 0 H THR A 229 9.159 -6.948 0.080 1.00 0.00 H new ATOM 0 HA THR A 229 6.596 -8.368 -0.375 1.00 0.00 H new ATOM 0 HB THR A 229 8.750 -9.030 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.112 -10.916 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 229 7.500 -11.123 2.003 1.00 0.00 H new ATOM 0 HG22 THR A 229 6.521 -9.686 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 229 6.262 -10.561 0.855 1.00 0.00 H new ATOM 101 N VAL A 230 5.699 -7.494 1.911 1.00 0.00 N ATOM 102 CA VAL A 230 5.148 -6.773 3.057 1.00 0.00 C ATOM 103 C VAL A 230 4.950 -7.718 4.247 1.00 0.00 C ATOM 104 O VAL A 230 4.669 -8.899 4.057 1.00 0.00 O ATOM 105 CB VAL A 230 3.809 -6.088 2.698 1.00 0.00 C ATOM 106 CG1 VAL A 230 3.159 -5.487 3.928 1.00 0.00 C ATOM 107 CG2 VAL A 230 4.037 -4.995 1.670 1.00 0.00 C ATOM 0 H VAL A 230 5.102 -8.242 1.559 1.00 0.00 H new ATOM 0 HA VAL A 230 5.865 -6.000 3.335 1.00 0.00 H new ATOM 0 HB VAL A 230 3.146 -6.848 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 230 2.219 -5.012 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 230 2.964 -6.273 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 230 3.825 -4.743 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 230 3.086 -4.521 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 230 4.720 -4.250 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 230 4.468 -5.428 0.768 1.00 0.00 H new ATOM 117 N LYS A 231 5.117 -7.206 5.470 1.00 0.00 N ATOM 118 CA LYS A 231 4.933 -8.025 6.670 1.00 0.00 C ATOM 119 C LYS A 231 3.793 -7.519 7.561 1.00 0.00 C ATOM 120 O LYS A 231 3.292 -8.256 8.408 1.00 0.00 O ATOM 121 CB LYS A 231 6.226 -8.107 7.484 1.00 0.00 C ATOM 122 CG LYS A 231 7.205 -9.142 6.959 1.00 0.00 C ATOM 123 CD LYS A 231 8.356 -9.358 7.926 1.00 0.00 C ATOM 124 CE LYS A 231 9.090 -10.659 7.637 1.00 0.00 C ATOM 125 NZ LYS A 231 8.201 -11.844 7.791 1.00 0.00 N1+ ATOM 0 H LYS A 231 5.377 -6.237 5.654 1.00 0.00 H new ATOM 0 HA LYS A 231 4.662 -9.021 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 231 6.708 -7.129 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 231 5.980 -8.343 8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.685 -10.086 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.595 -8.819 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 231 9.053 -8.523 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 231 7.977 -9.372 8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.489 -10.633 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 231 9.941 -10.753 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 8.777 -12.687 7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 7.540 -11.682 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 7.664 -11.992 6.913 1.00 0.00 H new ATOM 139 N THR A 232 3.394 -6.268 7.387 1.00 0.00 N ATOM 140 CA THR A 232 2.277 -5.717 8.151 1.00 0.00 C ATOM 141 C THR A 232 1.216 -5.159 7.208 1.00 0.00 C ATOM 142 O THR A 232 1.239 -5.430 6.018 1.00 0.00 O ATOM 143 CB THR A 232 2.728 -4.636 9.155 1.00 0.00 C ATOM 144 OG1 THR A 232 3.487 -3.626 8.496 1.00 0.00 O ATOM 145 CG2 THR A 232 3.552 -5.247 10.279 1.00 0.00 C ATOM 0 H THR A 232 3.821 -5.616 6.729 1.00 0.00 H new ATOM 0 HA THR A 232 1.849 -6.534 8.732 1.00 0.00 H new ATOM 0 HB THR A 232 1.833 -4.186 9.584 1.00 0.00 H new ATOM 0 HG1 THR A 232 2.968 -2.795 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 232 3.858 -4.464 10.973 1.00 0.00 H new ATOM 0 HG22 THR A 232 2.953 -5.988 10.808 1.00 0.00 H new ATOM 0 HG23 THR A 232 4.437 -5.728 9.862 1.00 0.00 H new ATOM 153 N GLN A 233 0.273 -4.410 7.738 1.00 0.00 N ATOM 154 CA GLN A 233 -0.859 -3.956 6.948 1.00 0.00 C ATOM 155 C GLN A 233 -0.796 -2.450 6.768 1.00 0.00 C ATOM 156 O GLN A 233 -0.598 -1.718 7.739 1.00 0.00 O ATOM 157 CB GLN A 233 -2.178 -4.332 7.628 1.00 0.00 C ATOM 158 CG GLN A 233 -2.318 -5.810 7.960 1.00 0.00 C ATOM 159 CD GLN A 233 -3.605 -6.106 8.700 1.00 0.00 C ATOM 160 OE1 GLN A 233 -4.126 -5.253 9.422 1.00 0.00 O ATOM 161 NE2 GLN A 233 -4.127 -7.311 8.531 1.00 0.00 N ATOM 0 H GLN A 233 0.264 -4.101 8.710 1.00 0.00 H new ATOM 0 HA GLN A 233 -0.813 -4.442 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -2.275 -3.755 8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -3.003 -4.039 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -2.287 -6.393 7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -1.470 -6.127 8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.663 -7.987 7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -4.993 -7.563 9.007 1.00 0.00 H new ATOM 170 N PRO A 234 -0.949 -1.966 5.528 1.00 0.00 N ATOM 171 CA PRO A 234 -0.957 -0.532 5.251 1.00 0.00 C ATOM 172 C PRO A 234 -2.177 0.146 5.853 1.00 0.00 C ATOM 173 O PRO A 234 -3.287 0.042 5.331 1.00 0.00 O ATOM 174 CB PRO A 234 -0.998 -0.456 3.720 1.00 0.00 C ATOM 175 CG PRO A 234 -1.556 -1.767 3.281 1.00 0.00 C ATOM 176 CD PRO A 234 -1.113 -2.773 4.306 1.00 0.00 C ATOM 0 HA PRO A 234 -0.095 -0.023 5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -1.623 0.371 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -0.003 -0.293 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -2.644 -1.727 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -1.190 -2.034 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -1.853 -3.561 4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -0.181 -3.258 4.016 1.00 0.00 H new ATOM 184 N THR A 235 -1.969 0.850 6.952 1.00 0.00 N ATOM 185 CA THR A 235 -3.066 1.505 7.635 1.00 0.00 C ATOM 186 C THR A 235 -2.589 2.706 8.453 1.00 0.00 C ATOM 187 O THR A 235 -1.746 2.583 9.342 1.00 0.00 O ATOM 188 CB THR A 235 -3.844 0.507 8.535 1.00 0.00 C ATOM 189 OG1 THR A 235 -4.864 1.190 9.274 1.00 0.00 O ATOM 190 CG2 THR A 235 -2.915 -0.223 9.503 1.00 0.00 C ATOM 0 H THR A 235 -1.056 0.981 7.387 1.00 0.00 H new ATOM 0 HA THR A 235 -3.745 1.875 6.867 1.00 0.00 H new ATOM 0 HB THR A 235 -4.302 -0.232 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 235 -5.347 0.548 9.835 1.00 0.00 H new ATOM 0 HG21 THR A 235 -3.496 -0.912 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 235 -2.168 -0.781 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 235 -2.417 0.502 10.146 1.00 0.00 H new ATOM 198 N VAL A 236 -3.076 3.872 8.058 1.00 0.00 N ATOM 199 CA VAL A 236 -2.958 5.105 8.824 1.00 0.00 C ATOM 200 C VAL A 236 -4.093 6.039 8.379 1.00 0.00 C ATOM 201 O VAL A 236 -4.850 5.663 7.485 1.00 0.00 O ATOM 202 CB VAL A 236 -1.517 5.733 8.743 1.00 0.00 C ATOM 203 CG1 VAL A 236 -1.503 7.242 8.563 1.00 0.00 C ATOM 204 CG2 VAL A 236 -0.751 5.395 10.006 1.00 0.00 C ATOM 0 H VAL A 236 -3.575 3.991 7.177 1.00 0.00 H new ATOM 0 HA VAL A 236 -3.075 4.908 9.890 1.00 0.00 H new ATOM 0 HB VAL A 236 -1.053 5.303 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -0.472 7.593 8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -2.017 7.503 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -2.010 7.714 9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 236 0.248 5.829 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -1.277 5.800 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -0.672 4.312 10.105 1.00 0.00 H new ATOM 214 N THR A 237 -4.248 7.186 9.031 1.00 0.00 N ATOM 215 CA THR A 237 -5.344 8.116 8.790 1.00 0.00 C ATOM 216 C THR A 237 -5.745 8.232 7.310 1.00 0.00 C ATOM 217 O THR A 237 -4.997 8.756 6.482 1.00 0.00 O ATOM 218 CB THR A 237 -4.958 9.508 9.319 1.00 0.00 C ATOM 219 OG1 THR A 237 -4.621 9.413 10.710 1.00 0.00 O ATOM 220 CG2 THR A 237 -6.092 10.508 9.133 1.00 0.00 C ATOM 0 H THR A 237 -3.603 7.501 9.756 1.00 0.00 H new ATOM 0 HA THR A 237 -6.210 7.717 9.319 1.00 0.00 H new ATOM 0 HB THR A 237 -4.099 9.863 8.750 1.00 0.00 H new ATOM 0 HG1 THR A 237 -4.373 10.299 11.048 1.00 0.00 H new ATOM 0 HG21 THR A 237 -5.786 11.481 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 237 -6.330 10.595 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 237 -6.973 10.164 9.676 1.00 0.00 H new ATOM 228 N TYR A 238 -6.925 7.710 6.995 1.00 0.00 N ATOM 229 CA TYR A 238 -7.543 7.913 5.692 1.00 0.00 C ATOM 230 C TYR A 238 -8.788 8.778 5.861 1.00 0.00 C ATOM 231 O TYR A 238 -9.902 8.262 5.968 1.00 0.00 O ATOM 232 CB TYR A 238 -7.958 6.569 5.049 1.00 0.00 C ATOM 233 CG TYR A 238 -6.884 5.870 4.254 1.00 0.00 C ATOM 234 CD1 TYR A 238 -6.081 4.897 4.825 1.00 0.00 C ATOM 235 CD2 TYR A 238 -6.704 6.164 2.913 1.00 0.00 C ATOM 236 CE1 TYR A 238 -5.125 4.237 4.080 1.00 0.00 C ATOM 237 CE2 TYR A 238 -5.748 5.515 2.161 1.00 0.00 C ATOM 238 CZ TYR A 238 -4.963 4.551 2.748 1.00 0.00 C ATOM 239 OH TYR A 238 -4.018 3.894 1.996 1.00 0.00 O ATOM 0 H TYR A 238 -7.477 7.137 7.633 1.00 0.00 H new ATOM 0 HA TYR A 238 -6.816 8.399 5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 238 -8.296 5.898 5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 238 -8.812 6.747 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 238 -6.205 4.651 5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 238 -7.324 6.916 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 238 -4.507 3.479 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 238 -5.617 5.762 1.118 1.00 0.00 H new ATOM 0 HH TYR A 238 -3.122 4.172 2.280 1.00 0.00 H new ATOM 249 N ASN A 239 -8.608 10.084 5.892 1.00 0.00 N ATOM 250 CA ASN A 239 -9.729 10.985 6.098 1.00 0.00 C ATOM 251 C ASN A 239 -10.000 11.760 4.819 1.00 0.00 C ATOM 252 O ASN A 239 -9.085 12.297 4.202 1.00 0.00 O ATOM 253 CB ASN A 239 -9.454 11.931 7.270 1.00 0.00 C ATOM 254 CG ASN A 239 -10.704 12.650 7.748 1.00 0.00 C ATOM 255 OD1 ASN A 239 -11.573 13.016 6.958 1.00 0.00 O ATOM 256 ND2 ASN A 239 -10.808 12.846 9.051 1.00 0.00 N ATOM 0 H ASN A 239 -7.705 10.544 5.778 1.00 0.00 H new ATOM 0 HA ASN A 239 -10.616 10.403 6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 239 -9.027 11.364 8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 239 -8.708 12.667 6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 239 -11.630 13.315 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 239 -10.067 12.528 9.675 1.00 0.00 H new ATOM 263 N ALA A 240 -11.256 11.820 4.431 1.00 0.00 N ATOM 264 CA ALA A 240 -11.628 12.360 3.133 1.00 0.00 C ATOM 265 C ALA A 240 -12.266 13.736 3.257 1.00 0.00 C ATOM 266 O ALA A 240 -12.000 14.624 2.450 1.00 0.00 O ATOM 267 CB ALA A 240 -12.558 11.401 2.415 1.00 0.00 C ATOM 0 H ALA A 240 -12.043 11.501 4.996 1.00 0.00 H new ATOM 0 HA ALA A 240 -10.717 12.477 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 240 -12.830 11.816 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 240 -12.055 10.444 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 240 -13.458 11.252 3.011 1.00 0.00 H new ATOM 273 N VAL A 241 -13.103 13.915 4.271 1.00 0.00 N ATOM 274 CA VAL A 241 -13.723 15.209 4.532 1.00 0.00 C ATOM 275 C VAL A 241 -12.653 16.234 4.902 1.00 0.00 C ATOM 276 O VAL A 241 -12.809 17.436 4.679 1.00 0.00 O ATOM 277 CB VAL A 241 -14.765 15.105 5.673 1.00 0.00 C ATOM 278 CG1 VAL A 241 -15.431 16.447 5.946 1.00 0.00 C ATOM 279 CG2 VAL A 241 -15.815 14.051 5.348 1.00 0.00 C ATOM 0 H VAL A 241 -13.369 13.180 4.927 1.00 0.00 H new ATOM 0 HA VAL A 241 -14.236 15.530 3.626 1.00 0.00 H new ATOM 0 HB VAL A 241 -14.233 14.805 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 241 -16.156 16.336 6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 241 -14.675 17.176 6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 241 -15.940 16.791 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 241 -16.537 13.994 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 241 -16.329 14.322 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 241 -15.331 13.082 5.223 1.00 0.00 H new ATOM 289 N LYS A 242 -11.559 15.739 5.458 1.00 0.00 N ATOM 290 CA LYS A 242 -10.436 16.579 5.849 1.00 0.00 C ATOM 291 C LYS A 242 -9.369 16.594 4.766 1.00 0.00 C ATOM 292 O LYS A 242 -8.465 17.427 4.777 1.00 0.00 O ATOM 293 CB LYS A 242 -9.842 16.049 7.145 1.00 0.00 C ATOM 294 CG LYS A 242 -10.861 15.952 8.263 1.00 0.00 C ATOM 295 CD LYS A 242 -11.201 17.314 8.841 1.00 0.00 C ATOM 296 CE LYS A 242 -9.969 18.016 9.389 1.00 0.00 C ATOM 297 NZ LYS A 242 -10.304 19.327 10.004 1.00 0.00 N1+ ATOM 0 H LYS A 242 -11.423 14.747 5.651 1.00 0.00 H new ATOM 0 HA LYS A 242 -10.793 17.599 5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -9.412 15.064 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -9.027 16.701 7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -11.769 15.481 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -10.473 15.309 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -11.659 17.933 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -11.938 17.198 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -9.489 17.379 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -9.249 18.166 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -9.437 19.773 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -10.739 19.945 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -10.971 19.182 10.789 1.00 0.00 H new ATOM 311 N ASP A 243 -9.502 15.653 3.839 1.00 0.00 N ATOM 312 CA ASP A 243 -8.539 15.460 2.751 1.00 0.00 C ATOM 313 C ASP A 243 -7.161 15.135 3.311 1.00 0.00 C ATOM 314 O ASP A 243 -6.228 15.936 3.223 1.00 0.00 O ATOM 315 CB ASP A 243 -8.459 16.690 1.835 1.00 0.00 C ATOM 316 CG ASP A 243 -9.732 16.934 1.048 1.00 0.00 C ATOM 317 OD1 ASP A 243 -10.445 17.919 1.346 1.00 0.00 O ATOM 318 OD2 ASP A 243 -10.022 16.148 0.115 1.00 0.00 O1- ATOM 0 H ASP A 243 -10.283 14.997 3.817 1.00 0.00 H new ATOM 0 HA ASP A 243 -8.890 14.620 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -8.239 17.570 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -7.629 16.564 1.140 1.00 0.00 H new ATOM 323 N SER A 244 -7.044 13.959 3.904 1.00 0.00 N ATOM 324 CA SER A 244 -5.797 13.523 4.515 1.00 0.00 C ATOM 325 C SER A 244 -5.665 12.008 4.427 1.00 0.00 C ATOM 326 O SER A 244 -6.276 11.274 5.204 1.00 0.00 O ATOM 327 CB SER A 244 -5.740 13.973 5.977 1.00 0.00 C ATOM 328 OG SER A 244 -5.882 15.381 6.081 1.00 0.00 O ATOM 0 H SER A 244 -7.804 13.283 3.976 1.00 0.00 H new ATOM 0 HA SER A 244 -4.967 13.977 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 244 -6.531 13.481 6.544 1.00 0.00 H new ATOM 0 HB3 SER A 244 -4.792 13.666 6.419 1.00 0.00 H new ATOM 0 HG SER A 244 -5.844 15.645 7.024 1.00 0.00 H new ATOM 334 N TYR A 245 -4.876 11.550 3.470 1.00 0.00 N ATOM 335 CA TYR A 245 -4.671 10.126 3.256 1.00 0.00 C ATOM 336 C TYR A 245 -3.214 9.755 3.490 1.00 0.00 C ATOM 337 O TYR A 245 -2.329 10.139 2.724 1.00 0.00 O ATOM 338 CB TYR A 245 -5.067 9.736 1.829 1.00 0.00 C ATOM 339 CG TYR A 245 -6.541 9.402 1.598 1.00 0.00 C ATOM 340 CD1 TYR A 245 -6.898 8.557 0.551 1.00 0.00 C ATOM 341 CD2 TYR A 245 -7.570 9.909 2.397 1.00 0.00 C ATOM 342 CE1 TYR A 245 -8.219 8.228 0.307 1.00 0.00 C ATOM 343 CE2 TYR A 245 -8.892 9.581 2.154 1.00 0.00 C ATOM 344 CZ TYR A 245 -9.211 8.743 1.111 1.00 0.00 C ATOM 345 OH TYR A 245 -10.528 8.420 0.869 1.00 0.00 O ATOM 0 H TYR A 245 -4.363 12.149 2.823 1.00 0.00 H new ATOM 0 HA TYR A 245 -5.298 9.586 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -4.794 10.555 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -4.471 8.873 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -6.126 8.149 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -7.329 10.568 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -8.471 7.570 -0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -9.673 9.983 2.783 1.00 0.00 H new ATOM 0 HH TYR A 245 -11.028 8.432 1.712 1.00 0.00 H new ATOM 355 N GLN A 246 -2.967 9.039 4.568 1.00 0.00 N ATOM 356 CA GLN A 246 -1.653 8.482 4.825 1.00 0.00 C ATOM 357 C GLN A 246 -1.804 7.010 5.191 1.00 0.00 C ATOM 358 O GLN A 246 -2.896 6.572 5.547 1.00 0.00 O ATOM 359 CB GLN A 246 -0.923 9.234 5.952 1.00 0.00 C ATOM 360 CG GLN A 246 -0.661 10.710 5.687 1.00 0.00 C ATOM 361 CD GLN A 246 -1.744 11.620 6.235 1.00 0.00 C ATOM 362 OE1 GLN A 246 -2.695 11.969 5.541 1.00 0.00 O ATOM 363 NE2 GLN A 246 -1.603 12.012 7.491 1.00 0.00 N ATOM 0 H GLN A 246 -3.662 8.828 5.284 1.00 0.00 H new ATOM 0 HA GLN A 246 -1.051 8.587 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 246 -1.511 9.145 6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 246 0.031 8.740 6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 246 0.295 10.987 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 246 -0.572 10.869 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 246 -0.799 11.700 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 246 -2.299 12.626 7.915 1.00 0.00 H new ATOM 372 N PHE A 247 -0.726 6.244 5.093 1.00 0.00 N ATOM 373 CA PHE A 247 -0.767 4.831 5.440 1.00 0.00 C ATOM 374 C PHE A 247 0.637 4.291 5.718 1.00 0.00 C ATOM 375 O PHE A 247 1.564 4.554 4.963 1.00 0.00 O ATOM 376 CB PHE A 247 -1.481 3.997 4.367 1.00 0.00 C ATOM 377 CG PHE A 247 -1.051 4.220 2.935 1.00 0.00 C ATOM 378 CD1 PHE A 247 -1.227 5.449 2.308 1.00 0.00 C ATOM 379 CD2 PHE A 247 -0.521 3.176 2.199 1.00 0.00 C ATOM 380 CE1 PHE A 247 -0.877 5.626 0.984 1.00 0.00 C ATOM 381 CE2 PHE A 247 -0.166 3.350 0.879 1.00 0.00 C ATOM 382 CZ PHE A 247 -0.346 4.576 0.269 1.00 0.00 C ATOM 0 H PHE A 247 0.185 6.577 4.777 1.00 0.00 H new ATOM 0 HA PHE A 247 -1.350 4.741 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 247 -1.338 2.943 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 247 -2.550 4.197 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 247 -1.643 6.276 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 247 -0.384 2.211 2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 247 -1.019 6.586 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 247 0.254 2.526 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 247 -0.071 4.711 -0.767 1.00 0.00 H new ATOM 392 N THR A 248 0.796 3.542 6.808 1.00 0.00 N ATOM 393 CA THR A 248 2.108 3.056 7.223 1.00 0.00 C ATOM 394 C THR A 248 2.219 1.565 6.990 1.00 0.00 C ATOM 395 O THR A 248 1.242 0.835 7.174 1.00 0.00 O ATOM 396 CB THR A 248 2.331 3.333 8.731 1.00 0.00 C ATOM 397 OG1 THR A 248 2.403 4.741 8.972 1.00 0.00 O ATOM 398 CG2 THR A 248 3.590 2.651 9.259 1.00 0.00 C ATOM 0 H THR A 248 0.030 3.259 7.420 1.00 0.00 H new ATOM 0 HA THR A 248 2.860 3.579 6.633 1.00 0.00 H new ATOM 0 HB THR A 248 1.478 2.915 9.266 1.00 0.00 H new ATOM 0 HG1 THR A 248 2.543 4.902 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 248 3.706 2.873 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 248 3.505 1.573 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 248 4.459 3.019 8.714 1.00 0.00 H new ATOM 406 N VAL A 249 3.401 1.102 6.584 1.00 0.00 N ATOM 407 CA VAL A 249 3.587 -0.333 6.369 1.00 0.00 C ATOM 408 C VAL A 249 5.005 -0.785 6.725 1.00 0.00 C ATOM 409 O VAL A 249 5.965 -0.030 6.589 1.00 0.00 O ATOM 410 CB VAL A 249 3.314 -0.762 4.906 1.00 0.00 C ATOM 411 CG1 VAL A 249 2.706 -2.153 4.847 1.00 0.00 C ATOM 412 CG2 VAL A 249 2.440 0.232 4.164 1.00 0.00 C ATOM 0 H VAL A 249 4.222 1.679 6.402 1.00 0.00 H new ATOM 0 HA VAL A 249 2.861 -0.809 7.028 1.00 0.00 H new ATOM 0 HB VAL A 249 4.281 -0.782 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 249 2.525 -2.427 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 249 3.393 -2.870 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 249 1.763 -2.161 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 249 2.279 -0.116 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 249 1.480 0.323 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 249 2.932 1.204 4.143 1.00 0.00 H new ATOM 422 N THR A 250 5.118 -2.020 7.191 1.00 0.00 N ATOM 423 CA THR A 250 6.399 -2.683 7.363 1.00 0.00 C ATOM 424 C THR A 250 6.659 -3.576 6.155 1.00 0.00 C ATOM 425 O THR A 250 5.933 -4.551 5.933 1.00 0.00 O ATOM 426 CB THR A 250 6.396 -3.556 8.633 1.00 0.00 C ATOM 427 OG1 THR A 250 5.969 -2.777 9.758 1.00 0.00 O ATOM 428 CG2 THR A 250 7.769 -4.152 8.906 1.00 0.00 C ATOM 0 H THR A 250 4.318 -2.592 7.462 1.00 0.00 H new ATOM 0 HA THR A 250 7.176 -1.925 7.457 1.00 0.00 H new ATOM 0 HB THR A 250 5.700 -4.380 8.472 1.00 0.00 H new ATOM 0 HG1 THR A 250 4.990 -2.749 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 250 7.728 -4.761 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 250 8.070 -4.773 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 250 8.494 -3.349 9.042 1.00 0.00 H new ATOM 436 N LEU A 251 7.675 -3.255 5.372 1.00 0.00 N ATOM 437 CA LEU A 251 7.938 -3.995 4.159 1.00 0.00 C ATOM 438 C LEU A 251 9.209 -4.812 4.331 1.00 0.00 C ATOM 439 O LEU A 251 9.981 -4.601 5.266 1.00 0.00 O ATOM 440 CB LEU A 251 8.067 -3.052 2.946 1.00 0.00 C ATOM 441 CG LEU A 251 6.844 -2.183 2.614 1.00 0.00 C ATOM 442 CD1 LEU A 251 6.757 -0.966 3.526 1.00 0.00 C ATOM 443 CD2 LEU A 251 6.899 -1.739 1.165 1.00 0.00 C ATOM 0 H LEU A 251 8.325 -2.491 5.557 1.00 0.00 H new ATOM 0 HA LEU A 251 7.098 -4.663 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 251 8.917 -2.392 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 251 8.304 -3.655 2.070 1.00 0.00 H new ATOM 0 HG LEU A 251 5.952 -2.788 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.880 -0.375 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 251 6.675 -1.293 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 251 7.654 -0.358 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.028 -1.124 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 251 7.806 -1.159 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 251 6.902 -2.615 0.516 1.00 0.00 H new ATOM 455 N THR A 252 9.406 -5.757 3.449 1.00 0.00 N ATOM 456 CA THR A 252 10.597 -6.565 3.447 1.00 0.00 C ATOM 457 C THR A 252 11.264 -6.484 2.076 1.00 0.00 C ATOM 458 O THR A 252 10.583 -6.469 1.048 1.00 0.00 O ATOM 459 CB THR A 252 10.257 -8.020 3.778 1.00 0.00 C ATOM 460 OG1 THR A 252 8.840 -8.215 3.673 1.00 0.00 O ATOM 461 CG2 THR A 252 10.717 -8.382 5.185 1.00 0.00 C ATOM 0 H THR A 252 8.743 -5.988 2.710 1.00 0.00 H new ATOM 0 HA THR A 252 11.282 -6.189 4.207 1.00 0.00 H new ATOM 0 HB THR A 252 10.776 -8.665 3.069 1.00 0.00 H new ATOM 0 HG1 THR A 252 8.634 -9.169 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 252 10.463 -9.421 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 252 11.796 -8.250 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 252 10.221 -7.734 5.908 1.00 0.00 H new ATOM 469 N GLY A 253 12.582 -6.419 2.061 1.00 0.00 N ATOM 470 CA GLY A 253 13.300 -6.267 0.822 1.00 0.00 C ATOM 471 C GLY A 253 14.483 -7.197 0.755 1.00 0.00 C ATOM 472 O GLY A 253 14.416 -8.328 1.239 1.00 0.00 O ATOM 0 H GLY A 253 13.170 -6.469 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 253 12.631 -6.466 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 253 13.639 -5.236 0.720 1.00 0.00 H new ATOM 476 N ALA A 254 15.568 -6.734 0.168 1.00 0.00 N ATOM 477 CA ALA A 254 16.743 -7.569 0.016 1.00 0.00 C ATOM 478 C ALA A 254 17.876 -7.132 0.927 1.00 0.00 C ATOM 479 O ALA A 254 17.726 -6.208 1.726 1.00 0.00 O ATOM 480 CB ALA A 254 17.192 -7.595 -1.434 1.00 0.00 C ATOM 0 H ALA A 254 15.661 -5.791 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 254 16.467 -8.580 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 254 18.075 -8.226 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 254 16.391 -7.995 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 254 17.433 -6.583 -1.759 1.00 0.00 H new ATOM 486 N THR A 255 19.004 -7.811 0.783 1.00 0.00 N ATOM 487 CA THR A 255 20.136 -7.664 1.679 1.00 0.00 C ATOM 488 C THR A 255 20.812 -6.291 1.538 1.00 0.00 C ATOM 489 O THR A 255 20.382 -5.448 0.742 1.00 0.00 O ATOM 490 CB THR A 255 21.149 -8.796 1.389 1.00 0.00 C ATOM 491 OG1 THR A 255 20.425 -9.954 0.940 1.00 0.00 O ATOM 492 CG2 THR A 255 21.967 -9.182 2.632 1.00 0.00 C ATOM 0 H THR A 255 19.159 -8.485 0.033 1.00 0.00 H new ATOM 0 HA THR A 255 19.776 -7.733 2.705 1.00 0.00 H new ATOM 0 HB THR A 255 21.844 -8.436 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 255 21.055 -10.680 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 255 22.663 -9.980 2.376 1.00 0.00 H new ATOM 0 HG22 THR A 255 22.524 -8.314 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 255 21.294 -9.525 3.418 1.00 0.00 H new ATOM 500 N ALA A 256 21.867 -6.081 2.321 1.00 0.00 N ATOM 501 CA ALA A 256 22.623 -4.833 2.326 1.00 0.00 C ATOM 502 C ALA A 256 23.241 -4.523 0.956 1.00 0.00 C ATOM 503 O ALA A 256 23.020 -5.251 -0.018 1.00 0.00 O ATOM 504 CB ALA A 256 23.700 -4.896 3.402 1.00 0.00 C ATOM 0 H ALA A 256 22.224 -6.778 2.975 1.00 0.00 H new ATOM 0 HA ALA A 256 21.931 -4.021 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 256 24.265 -3.964 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 256 23.233 -5.042 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 256 24.373 -5.728 3.195 1.00 0.00 H new ATOM 510 N SER A 257 23.995 -3.419 0.901 1.00 0.00 N ATOM 511 CA SER A 257 24.632 -2.935 -0.324 1.00 0.00 C ATOM 512 C SER A 257 23.625 -2.192 -1.200 1.00 0.00 C ATOM 513 O SER A 257 23.933 -1.797 -2.326 1.00 0.00 O ATOM 514 CB SER A 257 25.303 -4.085 -1.102 1.00 0.00 C ATOM 515 OG SER A 257 26.269 -4.746 -0.296 1.00 0.00 O ATOM 0 H SER A 257 24.180 -2.833 1.715 1.00 0.00 H new ATOM 0 HA SER A 257 25.416 -2.234 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 257 24.546 -4.798 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 257 25.780 -3.692 -2.000 1.00 0.00 H new ATOM 0 HG SER A 257 26.681 -5.473 -0.809 1.00 0.00 H new ATOM 521 N VAL A 258 22.419 -1.999 -0.669 1.00 0.00 N ATOM 522 CA VAL A 258 21.419 -1.161 -1.313 1.00 0.00 C ATOM 523 C VAL A 258 20.968 -0.077 -0.335 1.00 0.00 C ATOM 524 O VAL A 258 20.010 -0.262 0.437 1.00 0.00 O ATOM 525 CB VAL A 258 20.188 -1.969 -1.784 1.00 0.00 C ATOM 526 CG1 VAL A 258 19.316 -1.129 -2.706 1.00 0.00 C ATOM 527 CG2 VAL A 258 20.608 -3.261 -2.468 1.00 0.00 C ATOM 0 H VAL A 258 22.113 -2.416 0.210 1.00 0.00 H new ATOM 0 HA VAL A 258 21.878 -0.719 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 258 19.602 -2.233 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 258 18.455 -1.715 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 258 18.973 -0.242 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 258 19.895 -0.827 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 258 19.721 -3.808 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 258 21.225 -3.029 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 258 21.179 -3.873 -1.770 1.00 0.00 H new ATOM 537 N THR A 259 21.672 1.045 -0.367 1.00 0.00 N ATOM 538 CA THR A 259 21.415 2.140 0.551 1.00 0.00 C ATOM 539 C THR A 259 20.128 2.864 0.183 1.00 0.00 C ATOM 540 O THR A 259 20.117 3.717 -0.705 1.00 0.00 O ATOM 541 CB THR A 259 22.577 3.149 0.558 1.00 0.00 C ATOM 542 OG1 THR A 259 23.826 2.451 0.671 1.00 0.00 O ATOM 543 CG2 THR A 259 22.427 4.127 1.716 1.00 0.00 C ATOM 0 H THR A 259 22.431 1.220 -1.025 1.00 0.00 H new ATOM 0 HA THR A 259 21.316 1.708 1.547 1.00 0.00 H new ATOM 0 HB THR A 259 22.558 3.709 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 259 24.563 3.097 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 259 23.257 4.833 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 259 21.487 4.670 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 259 22.429 3.579 2.658 1.00 0.00 H new ATOM 551 N GLY A 260 19.054 2.517 0.877 1.00 0.00 N ATOM 552 CA GLY A 260 17.759 3.100 0.612 1.00 0.00 C ATOM 553 C GLY A 260 17.259 2.810 -0.788 1.00 0.00 C ATOM 554 O GLY A 260 17.669 3.478 -1.738 1.00 0.00 O ATOM 0 H GLY A 260 19.061 1.830 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 260 17.039 2.719 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 260 17.815 4.179 0.756 1.00 0.00 H new ATOM 558 N PHE A 261 16.388 1.810 -0.920 1.00 0.00 N ATOM 559 CA PHE A 261 15.736 1.521 -2.195 1.00 0.00 C ATOM 560 C PHE A 261 15.274 2.808 -2.883 1.00 0.00 C ATOM 561 O PHE A 261 15.664 3.093 -4.015 1.00 0.00 O ATOM 562 CB PHE A 261 14.504 0.623 -1.989 1.00 0.00 C ATOM 563 CG PHE A 261 14.809 -0.837 -1.829 1.00 0.00 C ATOM 564 CD1 PHE A 261 14.538 -1.491 -0.638 1.00 0.00 C ATOM 565 CD2 PHE A 261 15.344 -1.563 -2.881 1.00 0.00 C ATOM 566 CE1 PHE A 261 14.797 -2.842 -0.501 1.00 0.00 C ATOM 567 CE2 PHE A 261 15.610 -2.911 -2.749 1.00 0.00 C ATOM 568 CZ PHE A 261 15.334 -3.551 -1.558 1.00 0.00 C ATOM 0 H PHE A 261 16.118 1.187 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 261 16.471 1.012 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 261 13.965 0.966 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 261 13.834 0.749 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 261 14.120 -0.940 0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 261 15.556 -1.067 -3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 261 14.580 -3.342 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 261 16.033 -3.463 -3.575 1.00 0.00 H new ATOM 0 HZ PHE A 261 15.538 -4.606 -1.452 1.00 0.00 H new ATOM 578 N LEU A 262 14.461 3.586 -2.178 1.00 0.00 N ATOM 579 CA LEU A 262 13.901 4.818 -2.715 1.00 0.00 C ATOM 580 C LEU A 262 13.382 5.692 -1.578 1.00 0.00 C ATOM 581 O LEU A 262 13.273 5.228 -0.442 1.00 0.00 O ATOM 582 CB LEU A 262 12.794 4.504 -3.734 1.00 0.00 C ATOM 583 CG LEU A 262 11.934 3.265 -3.435 1.00 0.00 C ATOM 584 CD1 LEU A 262 11.039 3.489 -2.228 1.00 0.00 C ATOM 585 CD2 LEU A 262 11.103 2.889 -4.652 1.00 0.00 C ATOM 0 H LEU A 262 14.173 3.381 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 262 14.683 5.370 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 262 12.136 5.370 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 262 13.255 4.374 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 262 12.607 2.440 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 262 10.445 2.594 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 262 11.654 3.702 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 262 10.375 4.332 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 262 10.500 2.010 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 262 10.448 3.719 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 262 11.764 2.668 -5.490 1.00 0.00 H new ATOM 597 N LYS A 263 13.085 6.951 -1.876 1.00 0.00 N ATOM 598 CA LYS A 263 12.650 7.896 -0.855 1.00 0.00 C ATOM 599 C LYS A 263 11.486 8.754 -1.334 1.00 0.00 C ATOM 600 O LYS A 263 10.853 8.446 -2.344 1.00 0.00 O ATOM 601 CB LYS A 263 13.809 8.796 -0.435 1.00 0.00 C ATOM 602 CG LYS A 263 14.864 8.076 0.377 1.00 0.00 C ATOM 603 CD LYS A 263 15.822 9.053 1.042 1.00 0.00 C ATOM 604 CE LYS A 263 16.505 9.950 0.023 1.00 0.00 C ATOM 605 NZ LYS A 263 17.380 10.961 0.669 1.00 0.00 N1+ ATOM 0 H LYS A 263 13.137 7.341 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 263 12.310 7.312 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 263 14.273 9.219 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 263 13.419 9.630 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 263 14.382 7.463 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 263 15.423 7.400 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 263 15.277 9.666 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 263 16.575 8.500 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 263 17.098 9.339 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 263 15.750 10.456 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 17.826 11.552 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 16.810 11.561 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 18.117 10.479 1.223 1.00 0.00 H new ATOM 619 N ALA A 264 11.215 9.823 -0.582 1.00 0.00 N ATOM 620 CA ALA A 264 10.131 10.750 -0.876 1.00 0.00 C ATOM 621 C ALA A 264 10.109 11.153 -2.340 1.00 0.00 C ATOM 622 O ALA A 264 11.047 11.769 -2.849 1.00 0.00 O ATOM 623 CB ALA A 264 10.243 11.982 0.008 1.00 0.00 C ATOM 0 H ALA A 264 11.748 10.067 0.253 1.00 0.00 H new ATOM 0 HA ALA A 264 9.193 10.237 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 264 9.428 12.669 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 264 10.185 11.685 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 264 11.196 12.477 -0.177 1.00 0.00 H new ATOM 629 N GLY A 265 9.039 10.782 -3.009 1.00 0.00 N ATOM 630 CA GLY A 265 8.882 11.127 -4.404 1.00 0.00 C ATOM 631 C GLY A 265 8.819 9.904 -5.288 1.00 0.00 C ATOM 632 O GLY A 265 8.489 10.001 -6.471 1.00 0.00 O ATOM 0 H GLY A 265 8.269 10.244 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 265 7.972 11.713 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 265 9.714 11.758 -4.717 1.00 0.00 H new ATOM 636 N ASP A 266 9.127 8.752 -4.716 1.00 0.00 N ATOM 637 CA ASP A 266 9.111 7.501 -5.463 1.00 0.00 C ATOM 638 C ASP A 266 7.853 6.704 -5.156 1.00 0.00 C ATOM 639 O ASP A 266 7.410 6.634 -4.004 1.00 0.00 O ATOM 640 CB ASP A 266 10.353 6.667 -5.155 1.00 0.00 C ATOM 641 CG ASP A 266 11.593 7.197 -5.846 1.00 0.00 C ATOM 642 OD1 ASP A 266 11.905 6.723 -6.960 1.00 0.00 O ATOM 643 OD2 ASP A 266 12.261 8.094 -5.287 1.00 0.00 O1- ATOM 0 H ASP A 266 9.392 8.655 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 266 9.115 7.746 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 266 10.519 6.653 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 266 10.181 5.636 -5.465 1.00 0.00 H new ATOM 648 N GLN A 267 7.270 6.116 -6.191 1.00 0.00 N ATOM 649 CA GLN A 267 6.024 5.382 -6.045 1.00 0.00 C ATOM 650 C GLN A 267 6.280 3.886 -6.153 1.00 0.00 C ATOM 651 O GLN A 267 7.230 3.444 -6.801 1.00 0.00 O ATOM 652 CB GLN A 267 4.994 5.780 -7.114 1.00 0.00 C ATOM 653 CG GLN A 267 4.337 7.152 -6.961 1.00 0.00 C ATOM 654 CD GLN A 267 5.315 8.293 -6.821 1.00 0.00 C ATOM 655 OE1 GLN A 267 5.785 8.858 -7.810 1.00 0.00 O ATOM 656 NE2 GLN A 267 5.594 8.668 -5.589 1.00 0.00 N ATOM 0 H GLN A 267 7.641 6.134 -7.141 1.00 0.00 H new ATOM 0 HA GLN A 267 5.622 5.630 -5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 267 5.483 5.744 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 267 4.207 5.026 -7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 267 3.702 7.337 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 267 3.687 7.136 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 267 5.182 8.171 -4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 267 6.222 9.455 -5.425 1.00 0.00 H new ATOM 665 N VAL A 268 5.416 3.117 -5.527 1.00 0.00 N ATOM 666 CA VAL A 268 5.471 1.665 -5.590 1.00 0.00 C ATOM 667 C VAL A 268 4.078 1.139 -5.851 1.00 0.00 C ATOM 668 O VAL A 268 3.121 1.885 -5.752 1.00 0.00 O ATOM 669 CB VAL A 268 5.982 1.041 -4.263 1.00 0.00 C ATOM 670 CG1 VAL A 268 7.501 1.079 -4.183 1.00 0.00 C ATOM 671 CG2 VAL A 268 5.381 1.771 -3.066 1.00 0.00 C ATOM 0 H VAL A 268 4.651 3.478 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 268 6.163 1.392 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 268 5.665 -0.002 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 268 7.827 0.635 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 268 7.923 0.516 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 268 7.842 2.113 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 268 5.749 1.322 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 268 5.670 2.822 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 268 4.294 1.692 -3.100 1.00 0.00 H new ATOM 681 N LYS A 269 3.950 -0.129 -6.177 1.00 0.00 N ATOM 682 CA LYS A 269 2.625 -0.733 -6.241 1.00 0.00 C ATOM 683 C LYS A 269 2.666 -2.147 -5.669 1.00 0.00 C ATOM 684 O LYS A 269 3.593 -2.912 -5.947 1.00 0.00 O ATOM 685 CB LYS A 269 2.036 -0.727 -7.666 1.00 0.00 C ATOM 686 CG LYS A 269 2.563 -1.804 -8.607 1.00 0.00 C ATOM 687 CD LYS A 269 3.855 -1.396 -9.291 1.00 0.00 C ATOM 688 CE LYS A 269 4.238 -2.385 -10.381 1.00 0.00 C ATOM 689 NZ LYS A 269 3.191 -2.488 -11.431 1.00 0.00 N1+ ATOM 0 H LYS A 269 4.724 -0.755 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 269 1.959 -0.121 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 269 0.954 -0.834 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 269 2.230 0.247 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 269 2.727 -2.724 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 269 1.809 -2.022 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 269 3.742 -0.401 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 269 4.656 -1.335 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 269 5.179 -2.077 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 269 4.405 -3.367 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 3.610 -2.870 -12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 2.433 -3.122 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 2.796 -1.545 -11.621 1.00 0.00 H new ATOM 703 N PHE A 270 1.686 -2.487 -4.842 1.00 0.00 N ATOM 704 CA PHE A 270 1.660 -3.789 -4.197 1.00 0.00 C ATOM 705 C PHE A 270 0.233 -4.270 -3.986 1.00 0.00 C ATOM 706 O PHE A 270 -0.719 -3.501 -4.160 1.00 0.00 O ATOM 707 CB PHE A 270 2.435 -3.754 -2.874 1.00 0.00 C ATOM 708 CG PHE A 270 2.046 -2.665 -1.914 1.00 0.00 C ATOM 709 CD1 PHE A 270 2.733 -1.461 -1.906 1.00 0.00 C ATOM 710 CD2 PHE A 270 1.028 -2.856 -0.999 1.00 0.00 C ATOM 711 CE1 PHE A 270 2.407 -0.470 -1.003 1.00 0.00 C ATOM 712 CE2 PHE A 270 0.696 -1.867 -0.096 1.00 0.00 C ATOM 713 CZ PHE A 270 1.386 -0.673 -0.098 1.00 0.00 C ATOM 0 H PHE A 270 0.902 -1.880 -4.604 1.00 0.00 H new ATOM 0 HA PHE A 270 2.152 -4.503 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 270 2.307 -4.715 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 270 3.496 -3.651 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 270 3.532 -1.297 -2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 270 0.486 -3.790 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 270 2.950 0.463 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 270 -0.104 -2.028 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 270 1.127 0.102 0.608 1.00 0.00 H new ATOM 723 N THR A 271 0.081 -5.547 -3.646 1.00 0.00 N ATOM 724 CA THR A 271 -1.243 -6.111 -3.430 1.00 0.00 C ATOM 725 C THR A 271 -1.200 -7.375 -2.558 1.00 0.00 C ATOM 726 O THR A 271 -0.498 -8.347 -2.866 1.00 0.00 O ATOM 727 CB THR A 271 -1.946 -6.410 -4.789 1.00 0.00 C ATOM 728 OG1 THR A 271 -3.371 -6.437 -4.613 1.00 0.00 O ATOM 729 CG2 THR A 271 -1.502 -7.744 -5.403 1.00 0.00 C ATOM 0 H THR A 271 0.851 -6.203 -3.516 1.00 0.00 H new ATOM 0 HA THR A 271 -1.824 -5.363 -2.890 1.00 0.00 H new ATOM 0 HB THR A 271 -1.657 -5.610 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 271 -3.803 -6.624 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 271 -2.023 -7.901 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 271 -0.427 -7.723 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 271 -1.740 -8.557 -4.718 1.00 0.00 H new ATOM 737 N ASN A 272 -1.868 -7.317 -1.416 1.00 0.00 N ATOM 738 CA ASN A 272 -2.271 -8.527 -0.709 1.00 0.00 C ATOM 739 C ASN A 272 -3.773 -8.488 -0.517 1.00 0.00 C ATOM 740 O ASN A 272 -4.272 -8.158 0.559 1.00 0.00 O ATOM 741 CB ASN A 272 -1.590 -8.662 0.648 1.00 0.00 C ATOM 742 CG ASN A 272 -1.570 -10.100 1.118 1.00 0.00 C ATOM 743 OD1 ASN A 272 -1.552 -11.032 0.312 1.00 0.00 O ATOM 744 ND2 ASN A 272 -1.565 -10.297 2.418 1.00 0.00 N ATOM 0 H ASN A 272 -2.143 -6.448 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 272 -1.970 -9.388 -1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -0.569 -8.285 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -2.111 -8.046 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -1.546 -11.247 2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -1.580 -9.500 3.055 1.00 0.00 H new ATOM 1061 N SER A 292 -3.387 -4.264 -8.160 1.00 0.00 N ATOM 1062 CA SER A 292 -2.596 -3.703 -7.082 1.00 0.00 C ATOM 1063 C SER A 292 -2.944 -2.237 -6.880 1.00 0.00 C ATOM 1064 O SER A 292 -3.690 -1.657 -7.671 1.00 0.00 O ATOM 1065 CB SER A 292 -1.105 -3.852 -7.399 1.00 0.00 C ATOM 1066 OG SER A 292 -0.799 -3.335 -8.683 1.00 0.00 O ATOM 0 HA SER A 292 -2.820 -4.243 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 292 -0.516 -3.330 -6.644 1.00 0.00 H new ATOM 0 HB3 SER A 292 -0.824 -4.904 -7.351 1.00 0.00 H new ATOM 0 HG SER A 292 -1.582 -3.423 -9.266 1.00 0.00 H new ATOM 1072 N PHE A 293 -2.422 -1.646 -5.820 1.00 0.00 N ATOM 1073 CA PHE A 293 -2.598 -0.226 -5.585 1.00 0.00 C ATOM 1074 C PHE A 293 -1.247 0.439 -5.364 1.00 0.00 C ATOM 1075 O PHE A 293 -0.373 -0.104 -4.682 1.00 0.00 O ATOM 1076 CB PHE A 293 -3.559 0.039 -4.414 1.00 0.00 C ATOM 1077 CG PHE A 293 -3.251 -0.711 -3.147 1.00 0.00 C ATOM 1078 CD1 PHE A 293 -3.665 -2.025 -2.987 1.00 0.00 C ATOM 1079 CD2 PHE A 293 -2.572 -0.096 -2.110 1.00 0.00 C ATOM 1080 CE1 PHE A 293 -3.401 -2.711 -1.817 1.00 0.00 C ATOM 1081 CE2 PHE A 293 -2.305 -0.777 -0.939 1.00 0.00 C ATOM 1082 CZ PHE A 293 -2.721 -2.087 -0.792 1.00 0.00 C ATOM 0 H PHE A 293 -1.873 -2.128 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 293 -3.055 0.214 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -3.553 1.107 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 293 -4.570 -0.216 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 293 -4.200 -2.517 -3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -2.247 0.928 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 293 -3.727 -3.735 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 293 -1.771 -0.286 -0.138 1.00 0.00 H new ATOM 0 HZ PHE A 293 -2.514 -2.621 0.124 1.00 0.00 H new ATOM 1092 N THR A 294 -1.083 1.597 -5.974 1.00 0.00 N ATOM 1093 CA THR A 294 0.177 2.315 -5.962 1.00 0.00 C ATOM 1094 C THR A 294 0.330 3.125 -4.676 1.00 0.00 C ATOM 1095 O THR A 294 -0.622 3.760 -4.214 1.00 0.00 O ATOM 1096 CB THR A 294 0.260 3.252 -7.194 1.00 0.00 C ATOM 1097 OG1 THR A 294 0.132 2.478 -8.395 1.00 0.00 O ATOM 1098 CG2 THR A 294 1.563 4.054 -7.240 1.00 0.00 C ATOM 0 H THR A 294 -1.823 2.068 -6.494 1.00 0.00 H new ATOM 0 HA THR A 294 0.989 1.589 -6.006 1.00 0.00 H new ATOM 0 HB THR A 294 -0.558 3.968 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 294 0.183 3.071 -9.173 1.00 0.00 H new ATOM 0 HG21 THR A 294 1.566 4.693 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 294 1.642 4.672 -6.345 1.00 0.00 H new ATOM 0 HG23 THR A 294 2.410 3.370 -7.284 1.00 0.00 H new ATOM 1106 N ALA A 295 1.518 3.078 -4.086 1.00 0.00 N ATOM 1107 CA ALA A 295 1.808 3.867 -2.907 1.00 0.00 C ATOM 1108 C ALA A 295 2.876 4.902 -3.199 1.00 0.00 C ATOM 1109 O ALA A 295 3.424 4.949 -4.299 1.00 0.00 O ATOM 1110 CB ALA A 295 2.264 2.984 -1.769 1.00 0.00 C ATOM 0 H ALA A 295 2.294 2.500 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 295 0.889 4.376 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 295 2.476 3.599 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 295 1.479 2.267 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 295 3.166 2.448 -2.063 1.00 0.00 H new ATOM 1116 N THR A 296 3.179 5.721 -2.211 1.00 0.00 N ATOM 1117 CA THR A 296 4.221 6.713 -2.350 1.00 0.00 C ATOM 1118 C THR A 296 5.032 6.848 -1.072 1.00 0.00 C ATOM 1119 O THR A 296 4.525 7.275 -0.028 1.00 0.00 O ATOM 1120 CB THR A 296 3.636 8.076 -2.779 1.00 0.00 C ATOM 1121 OG1 THR A 296 3.266 8.020 -4.159 1.00 0.00 O ATOM 1122 CG2 THR A 296 4.616 9.233 -2.548 1.00 0.00 C ATOM 0 H THR A 296 2.716 5.717 -1.302 1.00 0.00 H new ATOM 0 HA THR A 296 4.896 6.373 -3.136 1.00 0.00 H new ATOM 0 HB THR A 296 2.760 8.269 -2.160 1.00 0.00 H new ATOM 0 HG1 THR A 296 2.893 8.884 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 296 4.156 10.169 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 296 4.865 9.293 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 296 5.525 9.061 -3.125 1.00 0.00 H new ATOM 1130 N VAL A 297 6.297 6.466 -1.180 1.00 0.00 N ATOM 1131 CA VAL A 297 7.216 6.503 -0.054 1.00 0.00 C ATOM 1132 C VAL A 297 7.645 7.934 0.220 1.00 0.00 C ATOM 1133 O VAL A 297 8.007 8.668 -0.700 1.00 0.00 O ATOM 1134 CB VAL A 297 8.459 5.623 -0.314 1.00 0.00 C ATOM 1135 CG1 VAL A 297 9.422 5.674 0.863 1.00 0.00 C ATOM 1136 CG2 VAL A 297 8.043 4.186 -0.599 1.00 0.00 C ATOM 0 H VAL A 297 6.712 6.124 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 297 6.696 6.106 0.818 1.00 0.00 H new ATOM 0 HB VAL A 297 8.975 6.018 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 297 10.287 5.046 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 297 9.749 6.702 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 297 8.920 5.311 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 297 8.930 3.579 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 297 7.500 3.788 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 297 7.401 4.161 -1.479 1.00 0.00 H new ATOM 1146 N THR A 298 7.578 8.335 1.479 1.00 0.00 N ATOM 1147 CA THR A 298 7.910 9.696 1.852 1.00 0.00 C ATOM 1148 C THR A 298 9.016 9.750 2.906 1.00 0.00 C ATOM 1149 O THR A 298 9.129 10.730 3.648 1.00 0.00 O ATOM 1150 CB THR A 298 6.664 10.424 2.383 1.00 0.00 C ATOM 1151 OG1 THR A 298 5.939 9.564 3.271 1.00 0.00 O ATOM 1152 CG2 THR A 298 5.759 10.865 1.244 1.00 0.00 C ATOM 0 H THR A 298 7.297 7.738 2.257 1.00 0.00 H new ATOM 0 HA THR A 298 8.275 10.193 0.953 1.00 0.00 H new ATOM 0 HB THR A 298 6.994 11.312 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 298 5.354 10.103 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 298 4.886 11.377 1.650 1.00 0.00 H new ATOM 0 HG22 THR A 298 6.304 11.543 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 298 5.436 9.992 0.677 1.00 0.00 H new ATOM 1160 N ALA A 299 9.839 8.709 2.971 1.00 0.00 N ATOM 1161 CA ALA A 299 10.874 8.638 3.992 1.00 0.00 C ATOM 1162 C ALA A 299 12.065 7.811 3.538 1.00 0.00 C ATOM 1163 O ALA A 299 11.989 7.076 2.552 1.00 0.00 O ATOM 1164 CB ALA A 299 10.297 8.064 5.279 1.00 0.00 C ATOM 0 H ALA A 299 9.810 7.912 2.336 1.00 0.00 H new ATOM 0 HA ALA A 299 11.230 9.652 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 299 11.078 8.014 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 299 9.488 8.704 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 299 9.911 7.062 5.090 1.00 0.00 H new ATOM 1170 N ASP A 300 13.166 7.966 4.266 1.00 0.00 N ATOM 1171 CA ASP A 300 14.383 7.208 4.030 1.00 0.00 C ATOM 1172 C ASP A 300 14.110 5.725 4.195 1.00 0.00 C ATOM 1173 O ASP A 300 13.830 5.252 5.300 1.00 0.00 O ATOM 1174 CB ASP A 300 15.487 7.637 5.005 1.00 0.00 C ATOM 1175 CG ASP A 300 15.869 9.099 4.875 1.00 0.00 C ATOM 1176 OD1 ASP A 300 17.007 9.389 4.443 1.00 0.00 O ATOM 1177 OD2 ASP A 300 15.037 9.969 5.213 1.00 0.00 O1- ATOM 0 H ASP A 300 13.236 8.626 5.040 1.00 0.00 H new ATOM 0 HA ASP A 300 14.718 7.406 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 300 15.155 7.445 6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 300 16.371 7.022 4.836 1.00 0.00 H new ATOM 1182 N ALA A 301 14.189 5.001 3.097 1.00 0.00 N ATOM 1183 CA ALA A 301 13.931 3.564 3.121 1.00 0.00 C ATOM 1184 C ALA A 301 15.235 2.803 3.325 1.00 0.00 C ATOM 1185 O ALA A 301 16.306 3.405 3.350 1.00 0.00 O ATOM 1186 CB ALA A 301 13.195 3.086 1.862 1.00 0.00 C ATOM 0 H ALA A 301 14.428 5.375 2.179 1.00 0.00 H new ATOM 0 HA ALA A 301 13.269 3.357 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 301 13.026 2.011 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 301 12.237 3.600 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 301 13.799 3.307 0.982 1.00 0.00 H new ATOM 1192 N ASN A 302 15.153 1.488 3.460 1.00 0.00 N ATOM 1193 CA ASN A 302 16.299 0.704 3.905 1.00 0.00 C ATOM 1194 C ASN A 302 16.286 -0.704 3.314 1.00 0.00 C ATOM 1195 O ASN A 302 15.311 -1.426 3.483 1.00 0.00 O ATOM 1196 CB ASN A 302 16.247 0.585 5.433 1.00 0.00 C ATOM 1197 CG ASN A 302 17.493 -0.038 6.035 1.00 0.00 C ATOM 1198 OD1 ASN A 302 18.603 0.144 5.537 1.00 0.00 O ATOM 1199 ND2 ASN A 302 17.316 -0.783 7.114 1.00 0.00 N ATOM 0 H ASN A 302 14.312 0.943 3.270 1.00 0.00 H new ATOM 0 HA ASN A 302 17.206 1.210 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 302 16.103 1.577 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 302 15.380 -0.013 5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 302 18.116 -1.230 7.562 1.00 0.00 H new ATOM 0 HD22 ASN A 302 16.380 -0.910 7.498 1.00 0.00 H new ATOM 1206 N SER A 303 17.335 -1.090 2.598 1.00 0.00 N ATOM 1207 CA SER A 303 17.555 -2.498 2.324 1.00 0.00 C ATOM 1208 C SER A 303 18.734 -2.981 3.163 1.00 0.00 C ATOM 1209 O SER A 303 19.894 -2.813 2.775 1.00 0.00 O ATOM 1210 CB SER A 303 17.850 -2.699 0.845 1.00 0.00 C ATOM 1211 OG SER A 303 17.624 -1.497 0.124 1.00 0.00 O ATOM 0 H SER A 303 18.033 -0.459 2.204 1.00 0.00 H new ATOM 0 HA SER A 303 16.662 -3.069 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 303 18.884 -3.019 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 303 17.218 -3.493 0.447 1.00 0.00 H new ATOM 0 HG SER A 303 16.702 -1.482 -0.206 1.00 0.00 H new ATOM 1217 N ASP A 304 18.447 -3.547 4.325 1.00 0.00 N ATOM 1218 CA ASP A 304 19.506 -3.941 5.243 1.00 0.00 C ATOM 1219 C ASP A 304 19.850 -5.415 5.079 1.00 0.00 C ATOM 1220 O ASP A 304 19.273 -6.097 4.237 1.00 0.00 O ATOM 1221 CB ASP A 304 19.107 -3.652 6.693 1.00 0.00 C ATOM 1222 CG ASP A 304 18.184 -4.704 7.276 1.00 0.00 C ATOM 1223 OD1 ASP A 304 16.995 -4.731 6.911 1.00 0.00 O ATOM 1224 OD2 ASP A 304 18.650 -5.504 8.115 1.00 0.00 O1- ATOM 0 H ASP A 304 17.501 -3.742 4.653 1.00 0.00 H new ATOM 0 HA ASP A 304 20.390 -3.351 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 304 20.007 -3.587 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 304 18.617 -2.680 6.742 1.00 0.00 H new ATOM 1229 N SER A 305 20.782 -5.904 5.882 1.00 0.00 N ATOM 1230 CA SER A 305 21.230 -7.287 5.787 1.00 0.00 C ATOM 1231 C SER A 305 20.076 -8.268 5.985 1.00 0.00 C ATOM 1232 O SER A 305 20.041 -9.334 5.371 1.00 0.00 O ATOM 1233 CB SER A 305 22.301 -7.543 6.834 1.00 0.00 C ATOM 1234 OG SER A 305 23.370 -6.618 6.702 1.00 0.00 O ATOM 0 H SER A 305 21.246 -5.361 6.611 1.00 0.00 H new ATOM 0 HA SER A 305 21.635 -7.444 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 305 21.867 -7.464 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 305 22.680 -8.560 6.731 1.00 0.00 H new ATOM 0 HG SER A 305 24.047 -6.800 7.387 1.00 0.00 H new ATOM 1240 N GLY A 306 19.120 -7.888 6.820 1.00 0.00 N ATOM 1241 CA GLY A 306 17.987 -8.745 7.083 1.00 0.00 C ATOM 1242 C GLY A 306 16.926 -8.631 6.013 1.00 0.00 C ATOM 1243 O GLY A 306 15.958 -9.392 6.005 1.00 0.00 O ATOM 0 H GLY A 306 19.111 -6.999 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 306 18.324 -9.780 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 306 17.555 -8.487 8.050 1.00 0.00 H new ATOM 1247 N GLY A 307 17.124 -7.704 5.085 1.00 0.00 N ATOM 1248 CA GLY A 307 16.136 -7.471 4.057 1.00 0.00 C ATOM 1249 C GLY A 307 14.843 -6.882 4.595 1.00 0.00 C ATOM 1250 O GLY A 307 13.762 -7.320 4.211 1.00 0.00 O ATOM 0 H GLY A 307 17.952 -7.111 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 307 16.552 -6.796 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 307 15.917 -8.412 3.552 1.00 0.00 H new ATOM 1254 N ASP A 308 14.933 -5.920 5.505 1.00 0.00 N ATOM 1255 CA ASP A 308 13.732 -5.296 6.055 1.00 0.00 C ATOM 1256 C ASP A 308 13.667 -3.807 5.704 1.00 0.00 C ATOM 1257 O ASP A 308 14.641 -3.073 5.868 1.00 0.00 O ATOM 1258 CB ASP A 308 13.668 -5.470 7.575 1.00 0.00 C ATOM 1259 CG ASP A 308 13.560 -6.919 8.013 1.00 0.00 C ATOM 1260 OD1 ASP A 308 12.443 -7.479 7.974 1.00 0.00 O ATOM 1261 OD2 ASP A 308 14.587 -7.507 8.420 1.00 0.00 O1- ATOM 0 H ASP A 308 15.812 -5.557 5.875 1.00 0.00 H new ATOM 0 HA ASP A 308 12.875 -5.797 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 308 14.559 -5.029 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 308 12.811 -4.917 7.961 1.00 0.00 H new ATOM 1266 N VAL A 309 12.506 -3.373 5.226 1.00 0.00 N ATOM 1267 CA VAL A 309 12.274 -1.979 4.853 1.00 0.00 C ATOM 1268 C VAL A 309 10.926 -1.487 5.386 1.00 0.00 C ATOM 1269 O VAL A 309 9.880 -1.792 4.838 1.00 0.00 O ATOM 1270 CB VAL A 309 12.342 -1.775 3.306 1.00 0.00 C ATOM 1271 CG1 VAL A 309 11.757 -2.959 2.545 1.00 0.00 C ATOM 1272 CG2 VAL A 309 11.643 -0.490 2.863 1.00 0.00 C ATOM 0 H VAL A 309 11.697 -3.978 5.085 1.00 0.00 H new ATOM 0 HA VAL A 309 13.071 -1.390 5.308 1.00 0.00 H new ATOM 0 HB VAL A 309 13.402 -1.695 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 309 11.826 -2.773 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 309 12.315 -3.862 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 309 10.712 -3.090 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 309 11.716 -0.391 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 309 10.593 -0.528 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 309 12.120 0.367 3.339 1.00 0.00 H new ATOM 1282 N THR A 310 10.950 -0.723 6.456 1.00 0.00 N ATOM 1283 CA THR A 310 9.717 -0.225 7.039 1.00 0.00 C ATOM 1284 C THR A 310 9.563 1.267 6.770 1.00 0.00 C ATOM 1285 O THR A 310 10.351 2.076 7.263 1.00 0.00 O ATOM 1286 CB THR A 310 9.699 -0.486 8.566 1.00 0.00 C ATOM 1287 OG1 THR A 310 9.791 -1.894 8.809 1.00 0.00 O ATOM 1288 CG2 THR A 310 8.443 0.075 9.254 1.00 0.00 C ATOM 0 H THR A 310 11.800 -0.433 6.939 1.00 0.00 H new ATOM 0 HA THR A 310 8.883 -0.754 6.578 1.00 0.00 H new ATOM 0 HB THR A 310 10.556 0.035 8.993 1.00 0.00 H new ATOM 0 HG1 THR A 310 9.942 -2.052 9.764 1.00 0.00 H new ATOM 0 HG21 THR A 310 8.487 -0.138 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 310 8.395 1.153 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 310 7.555 -0.392 8.827 1.00 0.00 H new ATOM 1296 N VAL A 311 8.559 1.631 5.979 1.00 0.00 N ATOM 1297 CA VAL A 311 8.333 3.036 5.639 1.00 0.00 C ATOM 1298 C VAL A 311 6.852 3.337 5.566 1.00 0.00 C ATOM 1299 O VAL A 311 6.023 2.448 5.373 1.00 0.00 O ATOM 1300 CB VAL A 311 8.980 3.445 4.286 1.00 0.00 C ATOM 1301 CG1 VAL A 311 10.507 3.339 4.336 1.00 0.00 C ATOM 1302 CG2 VAL A 311 8.428 2.586 3.140 1.00 0.00 C ATOM 0 H VAL A 311 7.892 0.981 5.563 1.00 0.00 H new ATOM 0 HA VAL A 311 8.806 3.613 6.434 1.00 0.00 H new ATOM 0 HB VAL A 311 8.721 4.488 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 311 10.924 3.633 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 311 10.892 3.998 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 311 10.793 2.311 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 311 8.894 2.888 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 311 8.649 1.536 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 311 7.349 2.723 3.070 1.00 0.00 H new ATOM 1312 N THR A 312 6.532 4.597 5.726 1.00 0.00 N ATOM 1313 CA THR A 312 5.166 5.043 5.672 1.00 0.00 C ATOM 1314 C THR A 312 4.924 5.840 4.403 1.00 0.00 C ATOM 1315 O THR A 312 5.819 6.510 3.878 1.00 0.00 O ATOM 1316 CB THR A 312 4.843 5.902 6.920 1.00 0.00 C ATOM 1317 OG1 THR A 312 4.849 5.077 8.083 1.00 0.00 O ATOM 1318 CG2 THR A 312 3.503 6.659 6.820 1.00 0.00 C ATOM 0 H THR A 312 7.211 5.339 5.897 1.00 0.00 H new ATOM 0 HA THR A 312 4.508 4.174 5.664 1.00 0.00 H new ATOM 0 HB THR A 312 5.621 6.663 6.985 1.00 0.00 H new ATOM 0 HG1 THR A 312 4.048 5.259 8.617 1.00 0.00 H new ATOM 0 HG21 THR A 312 3.344 7.239 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 312 3.527 7.330 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 312 2.689 5.944 6.699 1.00 0.00 H new ATOM 1326 N LEU A 313 3.710 5.737 3.920 1.00 0.00 N ATOM 1327 CA LEU A 313 3.306 6.348 2.686 1.00 0.00 C ATOM 1328 C LEU A 313 2.315 7.448 3.004 1.00 0.00 C ATOM 1329 O LEU A 313 1.426 7.259 3.830 1.00 0.00 O ATOM 1330 CB LEU A 313 2.676 5.287 1.782 1.00 0.00 C ATOM 1331 CG LEU A 313 3.485 3.988 1.601 1.00 0.00 C ATOM 1332 CD1 LEU A 313 4.937 4.271 1.265 1.00 0.00 C ATOM 1333 CD2 LEU A 313 3.385 3.083 2.815 1.00 0.00 C ATOM 0 H LEU A 313 2.966 5.217 4.384 1.00 0.00 H new ATOM 0 HA LEU A 313 4.162 6.776 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.697 5.029 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 313 2.509 5.728 0.799 1.00 0.00 H new ATOM 0 HG LEU A 313 3.040 3.462 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 313 5.473 3.329 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 313 4.991 4.840 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 313 5.391 4.847 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 313 3.970 2.179 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 313 3.771 3.605 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 313 2.342 2.814 2.983 1.00 0.00 H new ATOM 1345 N SER A 314 2.467 8.604 2.394 1.00 0.00 N ATOM 1346 CA SER A 314 1.656 9.744 2.795 1.00 0.00 C ATOM 1347 C SER A 314 1.329 10.667 1.632 1.00 0.00 C ATOM 1348 O SER A 314 2.131 10.830 0.711 1.00 0.00 O ATOM 1349 CB SER A 314 2.387 10.526 3.888 1.00 0.00 C ATOM 1350 OG SER A 314 2.683 9.693 5.001 1.00 0.00 O ATOM 0 H SER A 314 3.126 8.782 1.636 1.00 0.00 H new ATOM 0 HA SER A 314 0.709 9.357 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 314 3.310 10.943 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 314 1.772 11.366 4.212 1.00 0.00 H new ATOM 0 HG SER A 314 3.151 10.215 5.685 1.00 0.00 H new ATOM 1632 N VAL A 333 -7.204 -4.103 4.569 1.00 0.00 N ATOM 1633 CA VAL A 333 -5.841 -4.324 4.115 1.00 0.00 C ATOM 1634 C VAL A 333 -5.234 -5.546 4.789 1.00 0.00 C ATOM 1635 O VAL A 333 -5.423 -5.764 5.987 1.00 0.00 O ATOM 1636 CB VAL A 333 -4.952 -3.088 4.366 1.00 0.00 C ATOM 1637 CG1 VAL A 333 -5.368 -1.945 3.452 1.00 0.00 C ATOM 1638 CG2 VAL A 333 -5.023 -2.651 5.822 1.00 0.00 C ATOM 0 HA VAL A 333 -5.885 -4.500 3.040 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.921 -3.361 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -4.733 -1.079 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -5.263 -2.254 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -6.407 -1.682 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -4.387 -1.778 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -6.052 -2.398 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -4.680 -3.463 6.463 1.00 0.00 H new ATOM 1648 N GLU A 334 -4.532 -6.353 4.013 1.00 0.00 N ATOM 1649 CA GLU A 334 -3.939 -7.574 4.530 1.00 0.00 C ATOM 1650 C GLU A 334 -2.415 -7.500 4.464 1.00 0.00 C ATOM 1651 O GLU A 334 -1.860 -6.815 3.616 1.00 0.00 O ATOM 1652 CB GLU A 334 -4.464 -8.776 3.739 1.00 0.00 C ATOM 1653 CG GLU A 334 -4.082 -10.112 4.344 1.00 0.00 C ATOM 1654 CD GLU A 334 -4.457 -10.206 5.804 1.00 0.00 C ATOM 1655 OE1 GLU A 334 -5.547 -10.728 6.110 1.00 0.00 O ATOM 1656 OE2 GLU A 334 -3.664 -9.750 6.655 1.00 0.00 O1- ATOM 0 H GLU A 334 -4.359 -6.185 3.022 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.221 -7.693 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.550 -8.712 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.081 -8.725 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.574 -10.913 3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.008 -10.264 4.236 1.00 0.00 H new ATOM 1663 N ALA A 335 -1.750 -8.214 5.366 1.00 0.00 N ATOM 1664 CA ALA A 335 -0.296 -8.169 5.476 1.00 0.00 C ATOM 1665 C ALA A 335 0.359 -9.238 4.601 1.00 0.00 C ATOM 1666 O ALA A 335 0.024 -10.419 4.725 1.00 0.00 O ATOM 1667 CB ALA A 335 0.114 -8.376 6.926 1.00 0.00 C ATOM 0 H ALA A 335 -2.200 -8.836 6.037 1.00 0.00 H new ATOM 0 HA ALA A 335 0.041 -7.191 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.201 -8.342 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 335 -0.320 -7.589 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.245 -9.346 7.271 1.00 0.00 H new ATOM 1673 N GLY A 336 1.289 -8.843 3.728 1.00 0.00 N ATOM 1674 CA GLY A 336 1.968 -9.815 2.883 1.00 0.00 C ATOM 1675 C GLY A 336 1.957 -9.436 1.412 1.00 0.00 C ATOM 1676 O GLY A 336 2.249 -10.267 0.552 1.00 0.00 O ATOM 0 H GLY A 336 1.582 -7.875 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 336 3.000 -9.920 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 336 1.493 -10.788 3.005 1.00 0.00 H new ATOM 1680 N ASP A 337 1.594 -8.191 1.129 1.00 0.00 N ATOM 1681 CA ASP A 337 1.499 -7.673 -0.238 1.00 0.00 C ATOM 1682 C ASP A 337 2.733 -7.974 -1.077 1.00 0.00 C ATOM 1683 O ASP A 337 3.874 -7.816 -0.629 1.00 0.00 O ATOM 1684 CB ASP A 337 1.291 -6.160 -0.216 1.00 0.00 C ATOM 1685 CG ASP A 337 0.162 -5.730 0.694 1.00 0.00 C ATOM 1686 OD1 ASP A 337 -0.910 -5.344 0.176 1.00 0.00 O ATOM 1687 OD2 ASP A 337 0.348 -5.790 1.928 1.00 0.00 O1- ATOM 0 H ASP A 337 1.355 -7.504 1.844 1.00 0.00 H new ATOM 0 HA ASP A 337 0.648 -8.179 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 337 2.214 -5.677 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 337 1.086 -5.813 -1.229 1.00 0.00 H new ATOM 1692 N ALA A 338 2.477 -8.425 -2.298 1.00 0.00 N ATOM 1693 CA ALA A 338 3.505 -8.540 -3.319 1.00 0.00 C ATOM 1694 C ALA A 338 3.913 -7.147 -3.782 1.00 0.00 C ATOM 1695 O ALA A 338 3.164 -6.487 -4.503 1.00 0.00 O ATOM 1696 CB ALA A 338 2.975 -9.345 -4.498 1.00 0.00 C ATOM 0 H ALA A 338 1.551 -8.721 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 338 4.373 -9.052 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 338 3.750 -9.428 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 338 2.691 -10.341 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 338 2.104 -8.843 -4.919 1.00 0.00 H new ATOM 1702 N VAL A 339 5.084 -6.697 -3.363 1.00 0.00 N ATOM 1703 CA VAL A 339 5.508 -5.336 -3.638 1.00 0.00 C ATOM 1704 C VAL A 339 6.374 -5.253 -4.886 1.00 0.00 C ATOM 1705 O VAL A 339 7.207 -6.120 -5.147 1.00 0.00 O ATOM 1706 CB VAL A 339 6.266 -4.726 -2.425 1.00 0.00 C ATOM 1707 CG1 VAL A 339 6.875 -3.376 -2.780 1.00 0.00 C ATOM 1708 CG2 VAL A 339 5.325 -4.559 -1.255 1.00 0.00 C ATOM 0 H VAL A 339 5.755 -7.253 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 339 4.603 -4.755 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 339 7.070 -5.410 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 339 7.399 -2.974 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 339 7.578 -3.499 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 339 6.084 -2.687 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 339 5.866 -4.131 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 339 4.508 -3.894 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 339 4.921 -5.531 -0.972 1.00 0.00 H new ATOM 1718 N SER A 340 6.134 -4.218 -5.671 1.00 0.00 N ATOM 1719 CA SER A 340 6.961 -3.898 -6.811 1.00 0.00 C ATOM 1720 C SER A 340 6.980 -2.389 -7.003 1.00 0.00 C ATOM 1721 O SER A 340 6.088 -1.688 -6.533 1.00 0.00 O ATOM 1722 CB SER A 340 6.421 -4.591 -8.065 1.00 0.00 C ATOM 1723 OG SER A 340 6.347 -5.996 -7.879 1.00 0.00 O ATOM 0 H SER A 340 5.355 -3.575 -5.531 1.00 0.00 H new ATOM 0 HA SER A 340 7.977 -4.252 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 340 5.432 -4.200 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 340 7.066 -4.367 -8.915 1.00 0.00 H new ATOM 0 HG SER A 340 5.998 -6.416 -8.693 1.00 0.00 H new ATOM 1729 N VAL A 341 8.003 -1.889 -7.665 1.00 0.00 N ATOM 1730 CA VAL A 341 8.123 -0.460 -7.909 1.00 0.00 C ATOM 1731 C VAL A 341 7.393 -0.105 -9.197 1.00 0.00 C ATOM 1732 O VAL A 341 7.277 -0.933 -10.101 1.00 0.00 O ATOM 1733 CB VAL A 341 9.605 -0.045 -8.020 1.00 0.00 C ATOM 1734 CG1 VAL A 341 9.758 1.469 -8.064 1.00 0.00 C ATOM 1735 CG2 VAL A 341 10.417 -0.632 -6.873 1.00 0.00 C ATOM 0 H VAL A 341 8.766 -2.449 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 341 7.678 0.076 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 341 9.990 -0.446 -8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 341 10.814 1.726 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 341 9.224 1.864 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 341 9.346 1.903 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 341 11.459 -0.327 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.021 -0.270 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.353 -1.720 -6.902 1.00 0.00 H new ATOM 1745 N VAL A 342 6.897 1.127 -9.271 1.00 0.00 N ATOM 1746 CA VAL A 342 6.103 1.568 -10.411 1.00 0.00 C ATOM 1747 C VAL A 342 6.976 1.682 -11.662 1.00 0.00 C ATOM 1748 O VAL A 342 6.482 1.596 -12.787 1.00 0.00 O ATOM 1749 CB VAL A 342 5.405 2.924 -10.120 1.00 0.00 C ATOM 1750 CG1 VAL A 342 6.425 4.055 -10.021 1.00 0.00 C ATOM 1751 CG2 VAL A 342 4.351 3.242 -11.178 1.00 0.00 C ATOM 0 H VAL A 342 7.032 1.838 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 342 5.331 0.819 -10.587 1.00 0.00 H new ATOM 0 HB VAL A 342 4.901 2.834 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.909 4.993 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 342 7.126 3.843 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 342 6.969 4.138 -10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.880 4.197 -10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 342 4.825 3.299 -12.158 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.595 2.457 -11.186 1.00 0.00 H new