USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=28 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 250 THR OG1 : rot 180:sc= 0.0175 USER MOD Set 1.2: A 310 THR OG1 : rot -129:sc= -2.55! USER MOD Set 2.1: A 269 LYS NZ :NH3+ -176:sc= 1.33 (180deg=0) USER MOD Set 2.2: A 294 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.1: A 267 GLN : amide:sc= 0.868 K(o=1.6,f=0) USER MOD Set 3.2: A 296 THR OG1 : rot 150:sc= 0.752 USER MOD Set 4.1: A 248 THR OG1 : rot 180:sc= 1 USER MOD Set 4.2: A 312 THR OG1 : rot -131:sc= 0.0111 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+ -127:sc= -0.0794 (180deg=-0.494) USER MOD Single : A 232 THR OG1 : rot -61:sc= 0.807 USER MOD Single : A 233 GLN : amide:sc= -1.51 K(o=-1.5,f=-11!) USER MOD Single : A 235 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 THR OG1 : rot 180:sc= 0 USER MOD Single : A 238 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 ASN : amide:sc= -4.22! C(o=-4.2!,f=-3.7!) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 SER OG : rot 60:sc= 0.235 USER MOD Single : A 245 TYR OH : rot 180:sc= 0 USER MOD Single : A 246 GLN :FLIP amide:sc=-0.000734 F(o=-1.1,f=-0.00073) USER MOD Single : A 252 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 255 THR OG1 : rot 97:sc= 0.0598 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 271 THR OG1 : rot 180:sc= 0 USER MOD Single : A 272 ASN : amide:sc= 0.24 K(o=0.24,f=-5!) USER MOD Single : A 292 SER OG : rot -33:sc= 0.105 USER MOD Single : A 298 THR OG1 : rot 90:sc= 1.2 USER MOD Single : A 302 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 303 SER OG : rot 119:sc= 1.18 USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 340 SER OG : rot 180:sc= -0.0248 USER MOD ----------------------------------------------------------------- ATOM 47 N GLY A 226 11.789 -4.522 -9.256 1.00 0.00 N ATOM 48 CA GLY A 226 11.692 -5.890 -8.795 1.00 0.00 C ATOM 49 C GLY A 226 10.637 -6.087 -7.723 1.00 0.00 C ATOM 50 O GLY A 226 9.810 -5.206 -7.470 1.00 0.00 O ATOM 0 HA2 GLY A 226 11.465 -6.537 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 226 12.660 -6.204 -8.405 1.00 0.00 H new ATOM 54 N THR A 227 10.685 -7.243 -7.087 1.00 0.00 N ATOM 55 CA THR A 227 9.698 -7.633 -6.098 1.00 0.00 C ATOM 56 C THR A 227 10.118 -7.211 -4.696 1.00 0.00 C ATOM 57 O THR A 227 11.309 -7.160 -4.374 1.00 0.00 O ATOM 58 CB THR A 227 9.526 -9.160 -6.099 1.00 0.00 C ATOM 59 OG1 THR A 227 9.557 -9.653 -7.447 1.00 0.00 O ATOM 60 CG2 THR A 227 8.217 -9.580 -5.437 1.00 0.00 C ATOM 0 H THR A 227 11.413 -7.940 -7.243 1.00 0.00 H new ATOM 0 HA THR A 227 8.764 -7.137 -6.361 1.00 0.00 H new ATOM 0 HB THR A 227 10.349 -9.586 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 227 9.449 -10.627 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 227 8.131 -10.666 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 227 8.205 -9.234 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 227 7.379 -9.140 -5.977 1.00 0.00 H new ATOM 68 N LEU A 228 9.133 -6.896 -3.880 1.00 0.00 N ATOM 69 CA LEU A 228 9.327 -6.718 -2.457 1.00 0.00 C ATOM 70 C LEU A 228 8.160 -7.370 -1.730 1.00 0.00 C ATOM 71 O LEU A 228 7.224 -7.857 -2.368 1.00 0.00 O ATOM 72 CB LEU A 228 9.455 -5.240 -2.080 1.00 0.00 C ATOM 73 CG LEU A 228 10.681 -4.515 -2.693 1.00 0.00 C ATOM 74 CD1 LEU A 228 10.331 -3.718 -3.951 1.00 0.00 C ATOM 75 CD2 LEU A 228 11.326 -3.606 -1.657 1.00 0.00 C ATOM 0 H LEU A 228 8.171 -6.756 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 228 10.263 -7.192 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 228 8.550 -4.720 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.509 -5.160 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 228 11.388 -5.288 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 228 11.228 -3.232 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 228 9.930 -4.391 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 228 9.585 -2.961 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.186 -3.103 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 228 10.602 -2.862 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 228 11.653 -4.201 -0.804 1.00 0.00 H new ATOM 87 N THR A 229 8.205 -7.379 -0.415 1.00 0.00 N ATOM 88 CA THR A 229 7.250 -8.139 0.370 1.00 0.00 C ATOM 89 C THR A 229 6.739 -7.315 1.556 1.00 0.00 C ATOM 90 O THR A 229 7.339 -6.306 1.923 1.00 0.00 O ATOM 91 CB THR A 229 7.935 -9.428 0.869 1.00 0.00 C ATOM 92 OG1 THR A 229 8.508 -10.135 -0.242 1.00 0.00 O ATOM 93 CG2 THR A 229 6.982 -10.357 1.614 1.00 0.00 C ATOM 0 H THR A 229 8.894 -6.868 0.136 1.00 0.00 H new ATOM 0 HA THR A 229 6.391 -8.392 -0.252 1.00 0.00 H new ATOM 0 HB THR A 229 8.709 -9.121 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 229 8.943 -10.952 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 229 7.522 -11.246 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 229 6.575 -9.840 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 229 6.167 -10.650 0.952 1.00 0.00 H new ATOM 101 N VAL A 230 5.615 -7.728 2.125 1.00 0.00 N ATOM 102 CA VAL A 230 5.057 -7.084 3.305 1.00 0.00 C ATOM 103 C VAL A 230 5.007 -8.078 4.465 1.00 0.00 C ATOM 104 O VAL A 230 4.450 -9.169 4.327 1.00 0.00 O ATOM 105 CB VAL A 230 3.636 -6.538 3.037 1.00 0.00 C ATOM 106 CG1 VAL A 230 3.090 -5.832 4.272 1.00 0.00 C ATOM 107 CG2 VAL A 230 3.643 -5.582 1.850 1.00 0.00 C ATOM 0 H VAL A 230 5.066 -8.517 1.783 1.00 0.00 H new ATOM 0 HA VAL A 230 5.703 -6.244 3.561 1.00 0.00 H new ATOM 0 HB VAL A 230 2.988 -7.383 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 230 2.089 -5.455 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 230 3.046 -6.535 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 230 3.744 -5.000 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.634 -5.209 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 230 4.308 -4.745 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.992 -6.108 0.961 1.00 0.00 H new ATOM 117 N LYS A 231 5.589 -7.709 5.600 1.00 0.00 N ATOM 118 CA LYS A 231 5.639 -8.610 6.751 1.00 0.00 C ATOM 119 C LYS A 231 4.705 -8.133 7.866 1.00 0.00 C ATOM 120 O LYS A 231 4.430 -8.861 8.822 1.00 0.00 O ATOM 121 CB LYS A 231 7.083 -8.736 7.260 1.00 0.00 C ATOM 122 CG LYS A 231 7.246 -9.674 8.448 1.00 0.00 C ATOM 123 CD LYS A 231 8.704 -10.033 8.685 1.00 0.00 C ATOM 124 CE LYS A 231 9.187 -11.090 7.705 1.00 0.00 C ATOM 125 NZ LYS A 231 8.457 -12.378 7.861 1.00 0.00 N1+ ATOM 0 H LYS A 231 6.030 -6.802 5.750 1.00 0.00 H new ATOM 0 HA LYS A 231 5.295 -9.594 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.715 -9.088 6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.445 -7.747 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.837 -9.203 9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.671 -10.584 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 231 9.320 -9.139 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 231 8.828 -10.398 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.060 -10.724 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 231 10.254 -11.259 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 9.141 -13.152 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 7.839 -12.328 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 7.880 -12.555 7.014 1.00 0.00 H new ATOM 139 N THR A 232 4.206 -6.918 7.729 1.00 0.00 N ATOM 140 CA THR A 232 3.318 -6.342 8.725 1.00 0.00 C ATOM 141 C THR A 232 2.007 -5.909 8.083 1.00 0.00 C ATOM 142 O THR A 232 1.719 -6.271 6.946 1.00 0.00 O ATOM 143 CB THR A 232 3.964 -5.149 9.445 1.00 0.00 C ATOM 144 OG1 THR A 232 4.367 -4.166 8.490 1.00 0.00 O ATOM 145 CG2 THR A 232 5.163 -5.599 10.267 1.00 0.00 C ATOM 0 H THR A 232 4.401 -6.308 6.935 1.00 0.00 H new ATOM 0 HA THR A 232 3.120 -7.115 9.467 1.00 0.00 H new ATOM 0 HB THR A 232 3.228 -4.714 10.121 1.00 0.00 H new ATOM 0 HG1 THR A 232 5.025 -4.556 7.877 1.00 0.00 H new ATOM 0 HG21 THR A 232 5.605 -4.738 10.768 1.00 0.00 H new ATOM 0 HG22 THR A 232 4.841 -6.326 11.012 1.00 0.00 H new ATOM 0 HG23 THR A 232 5.903 -6.056 9.610 1.00 0.00 H new ATOM 153 N GLN A 233 1.224 -5.133 8.811 1.00 0.00 N ATOM 154 CA GLN A 233 -0.130 -4.810 8.400 1.00 0.00 C ATOM 155 C GLN A 233 -0.160 -3.399 7.835 1.00 0.00 C ATOM 156 O GLN A 233 0.068 -2.437 8.574 1.00 0.00 O ATOM 157 CB GLN A 233 -1.081 -4.880 9.601 1.00 0.00 C ATOM 158 CG GLN A 233 -0.813 -6.031 10.558 1.00 0.00 C ATOM 159 CD GLN A 233 -1.394 -7.337 10.080 1.00 0.00 C ATOM 160 OE1 GLN A 233 -1.466 -7.590 8.891 1.00 0.00 O ATOM 161 NE2 GLN A 233 -1.835 -8.167 11.012 1.00 0.00 N ATOM 0 H GLN A 233 1.506 -4.712 9.696 1.00 0.00 H new ATOM 0 HA GLN A 233 -0.449 -5.528 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.016 -3.943 10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.104 -4.962 9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 233 0.263 -6.144 10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -1.230 -5.789 11.535 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -1.755 -7.916 11.997 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.254 -9.058 10.745 1.00 0.00 H new ATOM 170 N PRO A 234 -0.407 -3.239 6.528 1.00 0.00 N ATOM 171 CA PRO A 234 -0.549 -1.914 5.936 1.00 0.00 C ATOM 172 C PRO A 234 -1.774 -1.196 6.484 1.00 0.00 C ATOM 173 O PRO A 234 -2.906 -1.479 6.096 1.00 0.00 O ATOM 174 CB PRO A 234 -0.702 -2.194 4.435 1.00 0.00 C ATOM 175 CG PRO A 234 -1.136 -3.618 4.341 1.00 0.00 C ATOM 176 CD PRO A 234 -0.547 -4.318 5.533 1.00 0.00 C ATOM 0 HA PRO A 234 0.298 -1.264 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -1.438 -1.528 3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 234 0.238 -2.034 3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -2.223 -3.694 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -0.787 -4.070 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -1.198 -5.115 5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 234 0.414 -4.774 5.297 1.00 0.00 H new ATOM 184 N THR A 235 -1.543 -0.256 7.380 1.00 0.00 N ATOM 185 CA THR A 235 -2.633 0.452 8.019 1.00 0.00 C ATOM 186 C THR A 235 -2.795 1.840 7.415 1.00 0.00 C ATOM 187 O THR A 235 -1.872 2.659 7.424 1.00 0.00 O ATOM 188 CB THR A 235 -2.443 0.522 9.555 1.00 0.00 C ATOM 189 OG1 THR A 235 -3.508 1.273 10.154 1.00 0.00 O ATOM 190 CG2 THR A 235 -1.098 1.144 9.930 1.00 0.00 C ATOM 0 H THR A 235 -0.612 0.034 7.681 1.00 0.00 H new ATOM 0 HA THR A 235 -3.551 -0.107 7.836 1.00 0.00 H new ATOM 0 HB THR A 235 -2.460 -0.500 9.934 1.00 0.00 H new ATOM 0 HG1 THR A 235 -3.378 1.309 11.125 1.00 0.00 H new ATOM 0 HG21 THR A 235 -1.002 1.176 11.015 1.00 0.00 H new ATOM 0 HG22 THR A 235 -0.290 0.544 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 235 -1.042 2.157 9.531 1.00 0.00 H new ATOM 198 N VAL A 236 -3.975 2.078 6.865 1.00 0.00 N ATOM 199 CA VAL A 236 -4.268 3.315 6.168 1.00 0.00 C ATOM 200 C VAL A 236 -4.527 4.446 7.156 1.00 0.00 C ATOM 201 O VAL A 236 -5.402 4.344 8.020 1.00 0.00 O ATOM 202 CB VAL A 236 -5.488 3.152 5.235 1.00 0.00 C ATOM 203 CG1 VAL A 236 -5.669 4.378 4.356 1.00 0.00 C ATOM 204 CG2 VAL A 236 -5.348 1.898 4.382 1.00 0.00 C ATOM 0 H VAL A 236 -4.753 1.419 6.890 1.00 0.00 H new ATOM 0 HA VAL A 236 -3.396 3.564 5.564 1.00 0.00 H new ATOM 0 HB VAL A 236 -6.377 3.048 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -6.535 4.237 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.824 5.256 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.778 4.522 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -6.217 1.801 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.446 1.970 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -5.280 1.024 5.029 1.00 0.00 H new ATOM 214 N THR A 237 -3.754 5.511 7.029 1.00 0.00 N ATOM 215 CA THR A 237 -3.900 6.672 7.879 1.00 0.00 C ATOM 216 C THR A 237 -4.751 7.729 7.182 1.00 0.00 C ATOM 217 O THR A 237 -4.299 8.390 6.243 1.00 0.00 O ATOM 218 CB THR A 237 -2.521 7.261 8.232 1.00 0.00 C ATOM 219 OG1 THR A 237 -1.681 6.228 8.765 1.00 0.00 O ATOM 220 CG2 THR A 237 -2.649 8.389 9.246 1.00 0.00 C ATOM 0 H THR A 237 -3.011 5.592 6.335 1.00 0.00 H new ATOM 0 HA THR A 237 -4.395 6.364 8.800 1.00 0.00 H new ATOM 0 HB THR A 237 -2.078 7.668 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 237 -0.803 6.603 8.988 1.00 0.00 H new ATOM 0 HG21 THR A 237 -1.660 8.785 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 237 -3.270 9.183 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 237 -3.108 8.008 10.158 1.00 0.00 H new ATOM 228 N TYR A 238 -5.993 7.860 7.627 1.00 0.00 N ATOM 229 CA TYR A 238 -6.909 8.830 7.049 1.00 0.00 C ATOM 230 C TYR A 238 -6.804 10.161 7.772 1.00 0.00 C ATOM 231 O TYR A 238 -7.094 10.264 8.964 1.00 0.00 O ATOM 232 CB TYR A 238 -8.361 8.314 7.110 1.00 0.00 C ATOM 233 CG TYR A 238 -8.876 7.789 5.797 1.00 0.00 C ATOM 234 CD1 TYR A 238 -8.218 6.769 5.130 1.00 0.00 C ATOM 235 CD2 TYR A 238 -10.031 8.305 5.232 1.00 0.00 C ATOM 236 CE1 TYR A 238 -8.696 6.276 3.936 1.00 0.00 C ATOM 237 CE2 TYR A 238 -10.518 7.820 4.036 1.00 0.00 C ATOM 238 CZ TYR A 238 -9.847 6.803 3.391 1.00 0.00 C ATOM 239 OH TYR A 238 -10.329 6.305 2.200 1.00 0.00 O ATOM 0 H TYR A 238 -6.388 7.306 8.387 1.00 0.00 H new ATOM 0 HA TYR A 238 -6.632 8.973 6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 238 -8.424 7.522 7.857 1.00 0.00 H new ATOM 0 HB3 TYR A 238 -9.010 9.122 7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 238 -7.315 6.353 5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 238 -10.559 9.101 5.737 1.00 0.00 H new ATOM 0 HE1 TYR A 238 -8.171 5.480 3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 238 -11.419 8.234 3.608 1.00 0.00 H new ATOM 0 HH TYR A 238 -11.148 6.783 1.953 1.00 0.00 H new ATOM 249 N ASN A 239 -6.370 11.171 7.044 1.00 0.00 N ATOM 250 CA ASN A 239 -6.283 12.521 7.565 1.00 0.00 C ATOM 251 C ASN A 239 -7.126 13.405 6.652 1.00 0.00 C ATOM 252 O ASN A 239 -6.610 14.155 5.829 1.00 0.00 O ATOM 253 CB ASN A 239 -4.814 12.963 7.599 1.00 0.00 C ATOM 254 CG ASN A 239 -4.495 13.964 8.696 1.00 0.00 C ATOM 255 OD1 ASN A 239 -3.572 14.769 8.559 1.00 0.00 O ATOM 256 ND2 ASN A 239 -5.228 13.914 9.799 1.00 0.00 N ATOM 0 H ASN A 239 -6.068 11.079 6.074 1.00 0.00 H new ATOM 0 HA ASN A 239 -6.659 12.590 8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 239 -4.184 12.083 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 239 -4.555 13.401 6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 239 -5.036 14.555 10.569 1.00 0.00 H new ATOM 0 HD22 ASN A 239 -5.985 13.235 9.878 1.00 0.00 H new ATOM 263 N ALA A 240 -8.435 13.301 6.827 1.00 0.00 N ATOM 264 CA ALA A 240 -9.400 13.725 5.818 1.00 0.00 C ATOM 265 C ALA A 240 -9.699 15.207 5.902 1.00 0.00 C ATOM 266 O ALA A 240 -9.952 15.851 4.887 1.00 0.00 O ATOM 267 CB ALA A 240 -10.680 12.917 5.947 1.00 0.00 C ATOM 0 H ALA A 240 -8.860 12.920 7.672 1.00 0.00 H new ATOM 0 HA ALA A 240 -8.955 13.541 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 240 -11.393 13.242 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 240 -10.458 11.859 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 240 -11.108 13.070 6.938 1.00 0.00 H new ATOM 273 N VAL A 241 -9.655 15.754 7.106 1.00 0.00 N ATOM 274 CA VAL A 241 -9.788 17.193 7.286 1.00 0.00 C ATOM 275 C VAL A 241 -8.586 17.875 6.642 1.00 0.00 C ATOM 276 O VAL A 241 -8.616 19.052 6.280 1.00 0.00 O ATOM 277 CB VAL A 241 -9.869 17.571 8.786 1.00 0.00 C ATOM 278 CG1 VAL A 241 -10.138 19.059 8.966 1.00 0.00 C ATOM 279 CG2 VAL A 241 -10.938 16.746 9.494 1.00 0.00 C ATOM 0 H VAL A 241 -9.529 15.227 7.970 1.00 0.00 H new ATOM 0 HA VAL A 241 -10.713 17.525 6.814 1.00 0.00 H new ATOM 0 HB VAL A 241 -8.903 17.346 9.238 1.00 0.00 H new ATOM 0 HG11 VAL A 241 -10.189 19.293 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 241 -9.333 19.632 8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 241 -11.084 19.318 8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 241 -10.978 17.028 10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 241 -11.907 16.933 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 241 -10.694 15.687 9.411 1.00 0.00 H new ATOM 289 N LYS A 242 -7.523 17.095 6.500 1.00 0.00 N ATOM 290 CA LYS A 242 -6.292 17.562 5.893 1.00 0.00 C ATOM 291 C LYS A 242 -6.192 17.063 4.459 1.00 0.00 C ATOM 292 O LYS A 242 -5.215 17.321 3.754 1.00 0.00 O ATOM 293 CB LYS A 242 -5.110 17.055 6.710 1.00 0.00 C ATOM 294 CG LYS A 242 -5.363 17.140 8.202 1.00 0.00 C ATOM 295 CD LYS A 242 -5.360 18.570 8.693 1.00 0.00 C ATOM 296 CE LYS A 242 -6.028 18.670 10.048 1.00 0.00 C ATOM 297 NZ LYS A 242 -5.854 20.011 10.660 1.00 0.00 N1+ ATOM 0 H LYS A 242 -7.493 16.122 6.803 1.00 0.00 H new ATOM 0 HA LYS A 242 -6.284 18.652 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -4.900 16.021 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -4.223 17.637 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -6.323 16.678 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -4.599 16.572 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -4.335 18.935 8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -5.880 19.207 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -7.092 18.455 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -5.613 17.912 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -6.327 20.034 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -4.840 20.207 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -6.273 20.733 10.039 1.00 0.00 H new ATOM 311 N ASP A 243 -7.229 16.329 4.061 1.00 0.00 N ATOM 312 CA ASP A 243 -7.334 15.724 2.730 1.00 0.00 C ATOM 313 C ASP A 243 -6.093 14.920 2.368 1.00 0.00 C ATOM 314 O ASP A 243 -5.658 14.909 1.219 1.00 0.00 O ATOM 315 CB ASP A 243 -7.609 16.786 1.660 1.00 0.00 C ATOM 316 CG ASP A 243 -9.041 17.271 1.682 1.00 0.00 C ATOM 317 OD1 ASP A 243 -9.304 18.347 2.259 1.00 0.00 O ATOM 318 OD2 ASP A 243 -9.915 16.577 1.123 1.00 0.00 O1- ATOM 0 H ASP A 243 -8.031 16.134 4.660 1.00 0.00 H new ATOM 0 HA ASP A 243 -8.178 15.035 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -6.939 17.633 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -7.383 16.374 0.677 1.00 0.00 H new ATOM 323 N SER A 244 -5.534 14.238 3.350 1.00 0.00 N ATOM 324 CA SER A 244 -4.361 13.415 3.132 1.00 0.00 C ATOM 325 C SER A 244 -4.674 11.962 3.467 1.00 0.00 C ATOM 326 O SER A 244 -5.182 11.659 4.546 1.00 0.00 O ATOM 327 CB SER A 244 -3.196 13.925 3.982 1.00 0.00 C ATOM 328 OG SER A 244 -2.939 15.296 3.710 1.00 0.00 O ATOM 0 H SER A 244 -5.876 14.239 4.311 1.00 0.00 H new ATOM 0 HA SER A 244 -4.074 13.474 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 244 -3.427 13.796 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 244 -2.303 13.335 3.776 1.00 0.00 H new ATOM 0 HG SER A 244 -3.737 15.826 3.919 1.00 0.00 H new ATOM 334 N TYR A 245 -4.391 11.070 2.532 1.00 0.00 N ATOM 335 CA TYR A 245 -4.661 9.653 2.722 1.00 0.00 C ATOM 336 C TYR A 245 -3.384 8.859 2.495 1.00 0.00 C ATOM 337 O TYR A 245 -2.858 8.806 1.380 1.00 0.00 O ATOM 338 CB TYR A 245 -5.777 9.183 1.779 1.00 0.00 C ATOM 339 CG TYR A 245 -7.019 10.048 1.841 1.00 0.00 C ATOM 340 CD1 TYR A 245 -7.779 10.118 3.001 1.00 0.00 C ATOM 341 CD2 TYR A 245 -7.422 10.807 0.747 1.00 0.00 C ATOM 342 CE1 TYR A 245 -8.899 10.918 3.074 1.00 0.00 C ATOM 343 CE2 TYR A 245 -8.547 11.608 0.813 1.00 0.00 C ATOM 344 CZ TYR A 245 -9.279 11.661 1.980 1.00 0.00 C ATOM 345 OH TYR A 245 -10.395 12.460 2.053 1.00 0.00 O ATOM 0 H TYR A 245 -3.973 11.302 1.631 1.00 0.00 H new ATOM 0 HA TYR A 245 -5.002 9.487 3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -5.399 9.175 0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -6.045 8.156 2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -7.487 9.535 3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -6.848 10.770 -0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -9.476 10.961 3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -8.851 12.189 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 245 -10.525 12.919 1.197 1.00 0.00 H new ATOM 355 N GLN A 246 -2.871 8.274 3.563 1.00 0.00 N ATOM 356 CA GLN A 246 -1.602 7.567 3.520 1.00 0.00 C ATOM 357 C GLN A 246 -1.757 6.197 4.161 1.00 0.00 C ATOM 358 O GLN A 246 -2.848 5.846 4.590 1.00 0.00 O ATOM 359 CB GLN A 246 -0.540 8.369 4.273 1.00 0.00 C ATOM 360 CG GLN A 246 -0.400 9.807 3.800 1.00 0.00 C ATOM 361 CD GLN A 246 0.711 10.557 4.510 1.00 0.00 C ATOM 362 OE1 GLN A 246 1.762 9.850 4.896 1.00 0.00 O flip ATOM 363 NE2 GLN A 246 0.627 11.769 4.700 1.00 0.00 N flip ATOM 0 H GLN A 246 -3.319 8.275 4.480 1.00 0.00 H new ATOM 0 HA GLN A 246 -1.293 7.446 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 246 -0.785 8.369 5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 246 0.422 7.867 4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 246 -0.208 9.814 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 246 -1.343 10.330 3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 246 -0.200 12.278 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 246 1.384 12.265 5.170 1.00 0.00 H new ATOM 372 N PHE A 247 -0.680 5.422 4.227 1.00 0.00 N ATOM 373 CA PHE A 247 -0.704 4.180 4.983 1.00 0.00 C ATOM 374 C PHE A 247 0.702 3.754 5.404 1.00 0.00 C ATOM 375 O PHE A 247 1.644 3.847 4.626 1.00 0.00 O ATOM 376 CB PHE A 247 -1.432 3.059 4.225 1.00 0.00 C ATOM 377 CG PHE A 247 -0.769 2.518 2.986 1.00 0.00 C ATOM 378 CD1 PHE A 247 -0.295 1.219 2.971 1.00 0.00 C ATOM 379 CD2 PHE A 247 -0.675 3.271 1.826 1.00 0.00 C ATOM 380 CE1 PHE A 247 0.254 0.679 1.828 1.00 0.00 C ATOM 381 CE2 PHE A 247 -0.114 2.737 0.682 1.00 0.00 C ATOM 382 CZ PHE A 247 0.345 1.437 0.684 1.00 0.00 C ATOM 0 H PHE A 247 0.209 5.630 3.772 1.00 0.00 H new ATOM 0 HA PHE A 247 -1.274 4.370 5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 247 -1.585 2.229 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 247 -2.419 3.427 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 247 -0.356 0.619 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 247 -1.044 4.286 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 247 0.613 -0.340 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 247 -0.035 3.337 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 247 0.776 1.014 -0.212 1.00 0.00 H new ATOM 392 N THR A 248 0.836 3.290 6.644 1.00 0.00 N ATOM 393 CA THR A 248 2.134 2.972 7.215 1.00 0.00 C ATOM 394 C THR A 248 2.348 1.473 7.223 1.00 0.00 C ATOM 395 O THR A 248 1.442 0.716 7.587 1.00 0.00 O ATOM 396 CB THR A 248 2.231 3.496 8.665 1.00 0.00 C ATOM 397 OG1 THR A 248 2.147 4.925 8.677 1.00 0.00 O ATOM 398 CG2 THR A 248 3.522 3.048 9.342 1.00 0.00 C ATOM 0 H THR A 248 0.051 3.126 7.274 1.00 0.00 H new ATOM 0 HA THR A 248 2.899 3.451 6.604 1.00 0.00 H new ATOM 0 HB THR A 248 1.396 3.075 9.225 1.00 0.00 H new ATOM 0 HG1 THR A 248 2.208 5.249 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 248 3.553 3.437 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 248 3.560 1.959 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 248 4.377 3.428 8.783 1.00 0.00 H new ATOM 406 N VAL A 249 3.532 1.031 6.813 1.00 0.00 N ATOM 407 CA VAL A 249 3.807 -0.403 6.791 1.00 0.00 C ATOM 408 C VAL A 249 5.278 -0.697 7.079 1.00 0.00 C ATOM 409 O VAL A 249 6.159 0.106 6.771 1.00 0.00 O ATOM 410 CB VAL A 249 3.469 -1.059 5.428 1.00 0.00 C ATOM 411 CG1 VAL A 249 2.981 -2.487 5.615 1.00 0.00 C ATOM 412 CG2 VAL A 249 2.466 -0.247 4.622 1.00 0.00 C ATOM 0 H VAL A 249 4.299 1.626 6.499 1.00 0.00 H new ATOM 0 HA VAL A 249 3.168 -0.824 7.567 1.00 0.00 H new ATOM 0 HB VAL A 249 4.395 -1.081 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 249 2.751 -2.923 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 249 3.758 -3.076 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 249 2.084 -2.487 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 249 2.265 -0.752 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 249 1.538 -0.151 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 249 2.875 0.744 4.424 1.00 0.00 H new ATOM 422 N THR A 250 5.529 -1.844 7.688 1.00 0.00 N ATOM 423 CA THR A 250 6.859 -2.418 7.742 1.00 0.00 C ATOM 424 C THR A 250 6.974 -3.491 6.662 1.00 0.00 C ATOM 425 O THR A 250 6.325 -4.544 6.736 1.00 0.00 O ATOM 426 CB THR A 250 7.142 -3.027 9.131 1.00 0.00 C ATOM 427 OG1 THR A 250 7.205 -1.983 10.111 1.00 0.00 O ATOM 428 CG2 THR A 250 8.434 -3.830 9.141 1.00 0.00 C ATOM 0 H THR A 250 4.816 -2.401 8.158 1.00 0.00 H new ATOM 0 HA THR A 250 7.596 -1.634 7.568 1.00 0.00 H new ATOM 0 HB THR A 250 6.327 -3.710 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 250 7.383 -2.372 10.993 1.00 0.00 H new ATOM 0 HG21 THR A 250 8.598 -4.243 10.136 1.00 0.00 H new ATOM 0 HG22 THR A 250 8.363 -4.643 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 250 9.268 -3.181 8.875 1.00 0.00 H new ATOM 436 N LEU A 251 7.781 -3.223 5.653 1.00 0.00 N ATOM 437 CA LEU A 251 7.854 -4.090 4.497 1.00 0.00 C ATOM 438 C LEU A 251 9.137 -4.904 4.577 1.00 0.00 C ATOM 439 O LEU A 251 10.002 -4.631 5.409 1.00 0.00 O ATOM 440 CB LEU A 251 7.809 -3.269 3.188 1.00 0.00 C ATOM 441 CG LEU A 251 6.564 -2.395 2.954 1.00 0.00 C ATOM 442 CD1 LEU A 251 6.610 -1.110 3.770 1.00 0.00 C ATOM 443 CD2 LEU A 251 6.441 -2.055 1.482 1.00 0.00 C ATOM 0 H LEU A 251 8.395 -2.410 5.612 1.00 0.00 H new ATOM 0 HA LEU A 251 6.994 -4.760 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 251 8.686 -2.623 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 251 7.899 -3.961 2.351 1.00 0.00 H new ATOM 0 HG LEU A 251 5.696 -2.968 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.713 -0.523 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 251 6.660 -1.354 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 251 7.490 -0.532 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 251 5.558 -1.436 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 251 7.328 -1.510 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 251 6.349 -2.974 0.903 1.00 0.00 H new ATOM 455 N THR A 252 9.250 -5.912 3.741 1.00 0.00 N ATOM 456 CA THR A 252 10.445 -6.722 3.688 1.00 0.00 C ATOM 457 C THR A 252 11.066 -6.667 2.285 1.00 0.00 C ATOM 458 O THR A 252 10.375 -6.866 1.282 1.00 0.00 O ATOM 459 CB THR A 252 10.118 -8.169 4.080 1.00 0.00 C ATOM 460 OG1 THR A 252 8.756 -8.476 3.731 1.00 0.00 O ATOM 461 CG2 THR A 252 10.328 -8.383 5.577 1.00 0.00 C ATOM 0 H THR A 252 8.522 -6.191 3.084 1.00 0.00 H new ATOM 0 HA THR A 252 11.171 -6.326 4.398 1.00 0.00 H new ATOM 0 HB THR A 252 10.789 -8.833 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 252 8.555 -9.402 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 252 10.091 -9.415 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 252 11.367 -8.175 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 252 9.676 -7.711 6.136 1.00 0.00 H new ATOM 469 N GLY A 253 12.367 -6.398 2.212 1.00 0.00 N ATOM 470 CA GLY A 253 13.007 -6.154 0.937 1.00 0.00 C ATOM 471 C GLY A 253 14.178 -7.076 0.679 1.00 0.00 C ATOM 472 O GLY A 253 14.150 -8.249 1.054 1.00 0.00 O ATOM 0 H GLY A 253 12.989 -6.345 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 253 12.274 -6.275 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 253 13.350 -5.120 0.901 1.00 0.00 H new ATOM 476 N ALA A 254 15.212 -6.542 0.048 1.00 0.00 N ATOM 477 CA ALA A 254 16.341 -7.346 -0.390 1.00 0.00 C ATOM 478 C ALA A 254 17.621 -6.997 0.363 1.00 0.00 C ATOM 479 O ALA A 254 17.588 -6.263 1.348 1.00 0.00 O ATOM 480 CB ALA A 254 16.535 -7.208 -1.891 1.00 0.00 C ATOM 0 H ALA A 254 15.292 -5.549 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 254 16.114 -8.387 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 254 17.384 -7.815 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 254 15.636 -7.546 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 254 16.724 -6.164 -2.139 1.00 0.00 H new ATOM 486 N THR A 255 18.726 -7.566 -0.112 1.00 0.00 N ATOM 487 CA THR A 255 20.037 -7.490 0.533 1.00 0.00 C ATOM 488 C THR A 255 20.479 -6.056 0.893 1.00 0.00 C ATOM 489 O THR A 255 19.899 -5.062 0.444 1.00 0.00 O ATOM 490 CB THR A 255 21.088 -8.130 -0.405 1.00 0.00 C ATOM 491 OG1 THR A 255 20.492 -9.256 -1.067 1.00 0.00 O ATOM 492 CG2 THR A 255 22.334 -8.605 0.359 1.00 0.00 C ATOM 0 H THR A 255 18.736 -8.106 -0.977 1.00 0.00 H new ATOM 0 HA THR A 255 19.956 -8.028 1.477 1.00 0.00 H new ATOM 0 HB THR A 255 21.404 -7.372 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 255 20.176 -8.984 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 255 23.043 -9.047 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 255 22.799 -7.756 0.860 1.00 0.00 H new ATOM 0 HG23 THR A 255 22.044 -9.349 1.101 1.00 0.00 H new ATOM 500 N ALA A 256 21.530 -5.983 1.707 1.00 0.00 N ATOM 501 CA ALA A 256 22.108 -4.726 2.175 1.00 0.00 C ATOM 502 C ALA A 256 22.818 -3.964 1.054 1.00 0.00 C ATOM 503 O ALA A 256 22.760 -4.362 -0.111 1.00 0.00 O ATOM 504 CB ALA A 256 23.076 -5.008 3.313 1.00 0.00 C ATOM 0 H ALA A 256 22.011 -6.808 2.065 1.00 0.00 H new ATOM 0 HA ALA A 256 21.294 -4.093 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 256 23.508 -4.071 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 256 22.544 -5.491 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 256 23.871 -5.665 2.960 1.00 0.00 H new ATOM 510 N SER A 257 23.447 -2.845 1.431 1.00 0.00 N ATOM 511 CA SER A 257 24.237 -2.010 0.521 1.00 0.00 C ATOM 512 C SER A 257 23.353 -1.087 -0.312 1.00 0.00 C ATOM 513 O SER A 257 23.825 -0.429 -1.239 1.00 0.00 O ATOM 514 CB SER A 257 25.143 -2.869 -0.378 1.00 0.00 C ATOM 515 OG SER A 257 26.101 -3.571 0.399 1.00 0.00 O ATOM 0 H SER A 257 23.421 -2.490 2.387 1.00 0.00 H new ATOM 0 HA SER A 257 24.877 -1.378 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 257 24.537 -3.577 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 257 25.651 -2.234 -1.104 1.00 0.00 H new ATOM 0 HG SER A 257 26.666 -4.113 -0.190 1.00 0.00 H new ATOM 521 N VAL A 258 22.076 -1.032 0.025 1.00 0.00 N ATOM 522 CA VAL A 258 21.182 -0.048 -0.555 1.00 0.00 C ATOM 523 C VAL A 258 20.615 0.831 0.554 1.00 0.00 C ATOM 524 O VAL A 258 19.635 0.476 1.220 1.00 0.00 O ATOM 525 CB VAL A 258 20.037 -0.698 -1.365 1.00 0.00 C ATOM 526 CG1 VAL A 258 19.092 0.359 -1.922 1.00 0.00 C ATOM 527 CG2 VAL A 258 20.599 -1.548 -2.494 1.00 0.00 C ATOM 0 H VAL A 258 21.636 -1.659 0.698 1.00 0.00 H new ATOM 0 HA VAL A 258 21.758 0.558 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 258 19.471 -1.340 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 258 18.296 -0.126 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 258 18.658 0.929 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 258 19.645 1.032 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 258 19.779 -1.998 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 258 21.192 -0.922 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 258 21.229 -2.334 -2.078 1.00 0.00 H new ATOM 537 N THR A 259 21.269 1.963 0.775 1.00 0.00 N ATOM 538 CA THR A 259 20.873 2.890 1.818 1.00 0.00 C ATOM 539 C THR A 259 19.616 3.651 1.405 1.00 0.00 C ATOM 540 O THR A 259 19.685 4.720 0.796 1.00 0.00 O ATOM 541 CB THR A 259 22.009 3.881 2.135 1.00 0.00 C ATOM 542 OG1 THR A 259 23.231 3.162 2.358 1.00 0.00 O ATOM 543 CG2 THR A 259 21.677 4.708 3.367 1.00 0.00 C ATOM 0 H THR A 259 22.084 2.261 0.238 1.00 0.00 H new ATOM 0 HA THR A 259 20.659 2.313 2.718 1.00 0.00 H new ATOM 0 HB THR A 259 22.126 4.553 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 259 23.952 3.796 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 259 22.494 5.400 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 259 20.760 5.270 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 259 21.539 4.047 4.223 1.00 0.00 H new ATOM 551 N GLY A 260 18.470 3.082 1.740 1.00 0.00 N ATOM 552 CA GLY A 260 17.207 3.647 1.332 1.00 0.00 C ATOM 553 C GLY A 260 16.871 3.287 -0.103 1.00 0.00 C ATOM 554 O GLY A 260 17.449 3.851 -1.029 1.00 0.00 O ATOM 0 H GLY A 260 18.394 2.229 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 260 16.417 3.288 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 260 17.242 4.731 1.437 1.00 0.00 H new ATOM 558 N PHE A 261 15.973 2.317 -0.285 1.00 0.00 N ATOM 559 CA PHE A 261 15.463 1.968 -1.609 1.00 0.00 C ATOM 560 C PHE A 261 15.040 3.219 -2.360 1.00 0.00 C ATOM 561 O PHE A 261 15.551 3.531 -3.436 1.00 0.00 O ATOM 562 CB PHE A 261 14.219 1.060 -1.511 1.00 0.00 C ATOM 563 CG PHE A 261 14.504 -0.408 -1.436 1.00 0.00 C ATOM 564 CD1 PHE A 261 14.088 -1.158 -0.349 1.00 0.00 C ATOM 565 CD2 PHE A 261 15.160 -1.045 -2.472 1.00 0.00 C ATOM 566 CE1 PHE A 261 14.321 -2.517 -0.300 1.00 0.00 C ATOM 567 CE2 PHE A 261 15.403 -2.400 -2.428 1.00 0.00 C ATOM 568 CZ PHE A 261 14.981 -3.140 -1.342 1.00 0.00 C ATOM 0 H PHE A 261 15.583 1.757 0.473 1.00 0.00 H new ATOM 0 HA PHE A 261 16.268 1.449 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 261 13.648 1.348 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 261 13.584 1.247 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 261 13.576 -0.674 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 261 15.487 -0.473 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 261 13.988 -3.093 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 261 15.923 -2.883 -3.242 1.00 0.00 H new ATOM 0 HZ PHE A 261 15.166 -4.203 -1.307 1.00 0.00 H new ATOM 578 N LEU A 262 14.102 3.927 -1.756 1.00 0.00 N ATOM 579 CA LEU A 262 13.503 5.106 -2.347 1.00 0.00 C ATOM 580 C LEU A 262 13.273 6.143 -1.259 1.00 0.00 C ATOM 581 O LEU A 262 13.394 5.829 -0.070 1.00 0.00 O ATOM 582 CB LEU A 262 12.173 4.736 -3.007 1.00 0.00 C ATOM 583 CG LEU A 262 12.256 3.713 -4.145 1.00 0.00 C ATOM 584 CD1 LEU A 262 10.866 3.320 -4.614 1.00 0.00 C ATOM 585 CD2 LEU A 262 13.067 4.267 -5.307 1.00 0.00 C ATOM 0 H LEU A 262 13.733 3.696 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 262 14.169 5.516 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.505 4.345 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 262 11.715 5.646 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 262 12.758 2.823 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 262 10.947 2.593 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.313 2.880 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 262 10.339 4.204 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 262 13.114 3.525 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 262 12.593 5.174 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 262 14.077 4.499 -4.968 1.00 0.00 H new ATOM 597 N LYS A 263 12.953 7.365 -1.657 1.00 0.00 N ATOM 598 CA LYS A 263 12.720 8.439 -0.707 1.00 0.00 C ATOM 599 C LYS A 263 11.425 9.180 -1.026 1.00 0.00 C ATOM 600 O LYS A 263 10.626 8.724 -1.847 1.00 0.00 O ATOM 601 CB LYS A 263 13.904 9.411 -0.708 1.00 0.00 C ATOM 602 CG LYS A 263 15.215 8.749 -0.321 1.00 0.00 C ATOM 603 CD LYS A 263 16.362 9.746 -0.246 1.00 0.00 C ATOM 604 CE LYS A 263 16.769 10.247 -1.622 1.00 0.00 C ATOM 605 NZ LYS A 263 17.988 11.094 -1.560 1.00 0.00 N1+ ATOM 0 H LYS A 263 12.849 7.637 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 263 12.623 8.001 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 263 14.005 9.851 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 263 13.697 10.228 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 263 15.100 8.256 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 263 15.457 7.973 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 263 16.068 10.592 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 263 17.219 9.278 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 263 16.950 9.397 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 263 15.950 10.819 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 18.235 11.417 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 17.807 11.918 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 18.776 10.540 -1.167 1.00 0.00 H new ATOM 619 N ALA A 264 11.222 10.313 -0.364 1.00 0.00 N ATOM 620 CA ALA A 264 10.036 11.132 -0.560 1.00 0.00 C ATOM 621 C ALA A 264 9.871 11.544 -2.021 1.00 0.00 C ATOM 622 O ALA A 264 10.688 12.282 -2.573 1.00 0.00 O ATOM 623 CB ALA A 264 10.104 12.363 0.329 1.00 0.00 C ATOM 0 H ALA A 264 11.876 10.688 0.323 1.00 0.00 H new ATOM 0 HA ALA A 264 9.166 10.535 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 264 9.213 12.971 0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 264 10.159 12.055 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 264 10.989 12.946 0.075 1.00 0.00 H new ATOM 629 N GLY A 265 8.813 11.050 -2.636 1.00 0.00 N ATOM 630 CA GLY A 265 8.511 11.411 -4.008 1.00 0.00 C ATOM 631 C GLY A 265 8.659 10.244 -4.962 1.00 0.00 C ATOM 632 O GLY A 265 8.333 10.350 -6.147 1.00 0.00 O ATOM 0 H GLY A 265 8.151 10.401 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 265 7.492 11.794 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 265 9.173 12.218 -4.322 1.00 0.00 H new ATOM 636 N ASP A 266 9.151 9.126 -4.449 1.00 0.00 N ATOM 637 CA ASP A 266 9.345 7.934 -5.266 1.00 0.00 C ATOM 638 C ASP A 266 8.154 7.001 -5.116 1.00 0.00 C ATOM 639 O ASP A 266 7.650 6.808 -4.011 1.00 0.00 O ATOM 640 CB ASP A 266 10.631 7.210 -4.870 1.00 0.00 C ATOM 641 CG ASP A 266 11.879 8.015 -5.177 1.00 0.00 C ATOM 642 OD1 ASP A 266 12.690 8.247 -4.256 1.00 0.00 O ATOM 643 OD2 ASP A 266 12.053 8.429 -6.343 1.00 0.00 O1- ATOM 0 H ASP A 266 9.423 9.018 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 266 9.430 8.241 -6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 266 10.602 6.986 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 266 10.682 6.256 -5.395 1.00 0.00 H new ATOM 648 N GLN A 267 7.700 6.419 -6.216 1.00 0.00 N ATOM 649 CA GLN A 267 6.485 5.624 -6.185 1.00 0.00 C ATOM 650 C GLN A 267 6.778 4.138 -6.342 1.00 0.00 C ATOM 651 O GLN A 267 7.833 3.735 -6.842 1.00 0.00 O ATOM 652 CB GLN A 267 5.510 6.079 -7.272 1.00 0.00 C ATOM 653 CG GLN A 267 5.191 7.564 -7.230 1.00 0.00 C ATOM 654 CD GLN A 267 3.943 7.911 -8.011 1.00 0.00 C ATOM 655 OE1 GLN A 267 3.998 8.180 -9.211 1.00 0.00 O ATOM 656 NE2 GLN A 267 2.809 7.912 -7.332 1.00 0.00 N ATOM 0 H GLN A 267 8.149 6.482 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 267 6.027 5.777 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 267 5.929 5.835 -8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 267 4.582 5.515 -7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 267 5.065 7.876 -6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 267 6.035 8.125 -7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 267 2.809 7.683 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 267 1.933 8.142 -7.802 1.00 0.00 H new ATOM 665 N VAL A 268 5.825 3.332 -5.918 1.00 0.00 N ATOM 666 CA VAL A 268 5.944 1.888 -5.978 1.00 0.00 C ATOM 667 C VAL A 268 4.698 1.270 -6.572 1.00 0.00 C ATOM 668 O VAL A 268 3.775 1.962 -6.985 1.00 0.00 O ATOM 669 CB VAL A 268 6.133 1.252 -4.581 1.00 0.00 C ATOM 670 CG1 VAL A 268 7.607 1.167 -4.209 1.00 0.00 C ATOM 671 CG2 VAL A 268 5.374 2.043 -3.517 1.00 0.00 C ATOM 0 H VAL A 268 4.944 3.660 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 268 6.821 1.691 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 268 5.729 0.241 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 268 7.708 0.716 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 268 8.133 0.556 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 268 8.037 2.168 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 268 5.522 1.577 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 268 5.747 3.067 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 268 4.311 2.050 -3.758 1.00 0.00 H new ATOM 681 N LYS A 269 4.676 -0.045 -6.581 1.00 0.00 N ATOM 682 CA LYS A 269 3.514 -0.781 -7.003 1.00 0.00 C ATOM 683 C LYS A 269 3.051 -1.670 -5.855 1.00 0.00 C ATOM 684 O LYS A 269 3.678 -2.691 -5.565 1.00 0.00 O ATOM 685 CB LYS A 269 3.838 -1.638 -8.221 1.00 0.00 C ATOM 686 CG LYS A 269 2.627 -1.899 -9.084 1.00 0.00 C ATOM 687 CD LYS A 269 2.144 -0.605 -9.700 1.00 0.00 C ATOM 688 CE LYS A 269 0.713 -0.729 -10.197 1.00 0.00 C ATOM 689 NZ LYS A 269 0.290 0.457 -10.983 1.00 0.00 N1+ ATOM 0 H LYS A 269 5.463 -0.629 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 269 2.724 -0.082 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 269 4.604 -1.142 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 269 4.257 -2.589 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 269 2.876 -2.614 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 269 1.833 -2.346 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 269 2.207 0.196 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 269 2.796 -0.329 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 269 0.620 -1.623 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 269 0.044 -0.857 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 -0.712 0.361 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 0.418 1.316 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 0.868 0.526 -11.845 1.00 0.00 H new ATOM 703 N PHE A 270 1.976 -1.281 -5.190 1.00 0.00 N ATOM 704 CA PHE A 270 1.519 -1.998 -4.021 1.00 0.00 C ATOM 705 C PHE A 270 0.445 -3.000 -4.409 1.00 0.00 C ATOM 706 O PHE A 270 -0.588 -2.635 -4.973 1.00 0.00 O ATOM 707 CB PHE A 270 0.983 -1.012 -2.985 1.00 0.00 C ATOM 708 CG PHE A 270 0.895 -1.578 -1.599 1.00 0.00 C ATOM 709 CD1 PHE A 270 -0.310 -2.043 -1.099 1.00 0.00 C ATOM 710 CD2 PHE A 270 2.021 -1.635 -0.794 1.00 0.00 C ATOM 711 CE1 PHE A 270 -0.389 -2.552 0.181 1.00 0.00 C ATOM 712 CE2 PHE A 270 1.946 -2.146 0.485 1.00 0.00 C ATOM 713 CZ PHE A 270 0.739 -2.603 0.973 1.00 0.00 C ATOM 0 H PHE A 270 1.407 -0.473 -5.443 1.00 0.00 H new ATOM 0 HA PHE A 270 2.357 -2.542 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 270 1.626 -0.132 -2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 270 -0.007 -0.677 -3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 270 -1.195 -2.007 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 270 2.967 -1.276 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 270 -1.334 -2.910 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 270 2.830 -2.188 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 270 0.678 -3.001 1.975 1.00 0.00 H new ATOM 723 N THR A 271 0.706 -4.261 -4.133 1.00 0.00 N ATOM 724 CA THR A 271 -0.243 -5.316 -4.416 1.00 0.00 C ATOM 725 C THR A 271 -0.796 -5.877 -3.109 1.00 0.00 C ATOM 726 O THR A 271 -0.235 -6.809 -2.525 1.00 0.00 O ATOM 727 CB THR A 271 0.426 -6.438 -5.253 1.00 0.00 C ATOM 728 OG1 THR A 271 0.787 -5.920 -6.540 1.00 0.00 O ATOM 729 CG2 THR A 271 -0.472 -7.679 -5.429 1.00 0.00 C ATOM 0 H THR A 271 1.576 -4.582 -3.709 1.00 0.00 H new ATOM 0 HA THR A 271 -1.067 -4.905 -4.999 1.00 0.00 H new ATOM 0 HB THR A 271 1.310 -6.763 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 271 1.211 -6.627 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 271 0.053 -8.427 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 271 -0.712 -8.096 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 271 -1.393 -7.393 -5.937 1.00 0.00 H new ATOM 737 N ASN A 272 -1.877 -5.275 -2.641 1.00 0.00 N ATOM 738 CA ASN A 272 -2.522 -5.720 -1.411 1.00 0.00 C ATOM 739 C ASN A 272 -3.291 -7.002 -1.674 1.00 0.00 C ATOM 740 O ASN A 272 -3.869 -7.192 -2.746 1.00 0.00 O ATOM 741 CB ASN A 272 -3.454 -4.634 -0.841 1.00 0.00 C ATOM 742 CG ASN A 272 -4.515 -4.147 -1.821 1.00 0.00 C ATOM 743 OD1 ASN A 272 -4.295 -4.080 -3.033 1.00 0.00 O ATOM 744 ND2 ASN A 272 -5.677 -3.788 -1.297 1.00 0.00 N ATOM 0 H ASN A 272 -2.328 -4.478 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 272 -1.750 -5.911 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -3.948 -5.025 0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -2.851 -3.784 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -6.424 -3.443 -1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -5.825 -3.856 -0.290 1.00 0.00 H new ATOM 1061 N SER A 292 -3.682 -4.459 -7.911 1.00 0.00 N ATOM 1062 CA SER A 292 -2.443 -3.723 -7.705 1.00 0.00 C ATOM 1063 C SER A 292 -2.670 -2.229 -7.937 1.00 0.00 C ATOM 1064 O SER A 292 -3.420 -1.848 -8.836 1.00 0.00 O ATOM 1065 CB SER A 292 -1.359 -4.244 -8.656 1.00 0.00 C ATOM 1066 OG SER A 292 -1.792 -4.190 -10.006 1.00 0.00 O ATOM 0 HA SER A 292 -2.114 -3.871 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 292 -0.452 -3.651 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 292 -1.104 -5.271 -8.394 1.00 0.00 H new ATOM 0 HG SER A 292 -2.757 -4.355 -10.047 1.00 0.00 H new ATOM 1072 N PHE A 293 -2.035 -1.386 -7.129 1.00 0.00 N ATOM 1073 CA PHE A 293 -2.133 0.055 -7.307 1.00 0.00 C ATOM 1074 C PHE A 293 -0.797 0.708 -6.980 1.00 0.00 C ATOM 1075 O PHE A 293 -0.042 0.210 -6.147 1.00 0.00 O ATOM 1076 CB PHE A 293 -3.251 0.640 -6.430 1.00 0.00 C ATOM 1077 CG PHE A 293 -3.031 0.498 -4.948 1.00 0.00 C ATOM 1078 CD1 PHE A 293 -3.413 -0.655 -4.281 1.00 0.00 C ATOM 1079 CD2 PHE A 293 -2.452 1.527 -4.220 1.00 0.00 C ATOM 1080 CE1 PHE A 293 -3.221 -0.780 -2.919 1.00 0.00 C ATOM 1081 CE2 PHE A 293 -2.258 1.406 -2.858 1.00 0.00 C ATOM 1082 CZ PHE A 293 -2.643 0.252 -2.206 1.00 0.00 C ATOM 0 H PHE A 293 -1.449 -1.677 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 293 -2.382 0.262 -8.348 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -3.363 1.698 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 293 -4.191 0.154 -6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 293 -3.866 -1.465 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -2.149 2.433 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 293 -3.523 -1.684 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 293 -1.805 2.214 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 293 -2.493 0.156 -1.141 1.00 0.00 H new ATOM 1092 N THR A 294 -0.496 1.801 -7.655 1.00 0.00 N ATOM 1093 CA THR A 294 0.755 2.505 -7.431 1.00 0.00 C ATOM 1094 C THR A 294 0.708 3.284 -6.117 1.00 0.00 C ATOM 1095 O THR A 294 -0.100 4.204 -5.961 1.00 0.00 O ATOM 1096 CB THR A 294 1.057 3.468 -8.602 1.00 0.00 C ATOM 1097 OG1 THR A 294 1.240 2.721 -9.811 1.00 0.00 O ATOM 1098 CG2 THR A 294 2.294 4.331 -8.341 1.00 0.00 C ATOM 0 H THR A 294 -1.099 2.221 -8.362 1.00 0.00 H new ATOM 0 HA THR A 294 1.552 1.764 -7.372 1.00 0.00 H new ATOM 0 HB THR A 294 0.203 4.138 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 294 1.429 3.336 -10.550 1.00 0.00 H new ATOM 0 HG21 THR A 294 2.464 4.990 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 294 2.137 4.930 -7.444 1.00 0.00 H new ATOM 0 HG23 THR A 294 3.163 3.688 -8.201 1.00 0.00 H new ATOM 1106 N ALA A 295 1.562 2.903 -5.174 1.00 0.00 N ATOM 1107 CA ALA A 295 1.656 3.600 -3.903 1.00 0.00 C ATOM 1108 C ALA A 295 2.898 4.481 -3.915 1.00 0.00 C ATOM 1109 O ALA A 295 3.615 4.507 -4.914 1.00 0.00 O ATOM 1110 CB ALA A 295 1.682 2.601 -2.757 1.00 0.00 C ATOM 0 H ALA A 295 2.200 2.113 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 295 0.782 4.235 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 295 1.753 3.136 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 295 0.768 2.007 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 295 2.544 1.943 -2.867 1.00 0.00 H new ATOM 1116 N THR A 296 3.169 5.207 -2.838 1.00 0.00 N ATOM 1117 CA THR A 296 4.286 6.139 -2.855 1.00 0.00 C ATOM 1118 C THR A 296 5.074 6.153 -1.554 1.00 0.00 C ATOM 1119 O THR A 296 4.512 6.226 -0.467 1.00 0.00 O ATOM 1120 CB THR A 296 3.801 7.573 -3.202 1.00 0.00 C ATOM 1121 OG1 THR A 296 3.167 7.573 -4.488 1.00 0.00 O ATOM 1122 CG2 THR A 296 4.940 8.602 -3.198 1.00 0.00 C ATOM 0 H THR A 296 2.645 5.171 -1.963 1.00 0.00 H new ATOM 0 HA THR A 296 4.964 5.787 -3.632 1.00 0.00 H new ATOM 0 HB THR A 296 3.093 7.865 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 296 2.477 8.268 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 296 4.542 9.586 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 296 5.397 8.635 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 296 5.691 8.317 -3.935 1.00 0.00 H new ATOM 1130 N VAL A 297 6.392 6.109 -1.704 1.00 0.00 N ATOM 1131 CA VAL A 297 7.319 6.113 -0.588 1.00 0.00 C ATOM 1132 C VAL A 297 7.473 7.535 -0.051 1.00 0.00 C ATOM 1133 O VAL A 297 7.593 8.490 -0.822 1.00 0.00 O ATOM 1134 CB VAL A 297 8.695 5.560 -1.029 1.00 0.00 C ATOM 1135 CG1 VAL A 297 9.664 5.500 0.135 1.00 0.00 C ATOM 1136 CG2 VAL A 297 8.541 4.181 -1.655 1.00 0.00 C ATOM 0 H VAL A 297 6.848 6.069 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 297 6.925 5.473 0.201 1.00 0.00 H new ATOM 0 HB VAL A 297 9.103 6.243 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 297 10.621 5.107 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 297 9.807 6.501 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 297 9.261 4.848 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 297 9.519 3.808 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 297 8.102 3.498 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 297 7.891 4.248 -2.527 1.00 0.00 H new ATOM 1146 N THR A 298 7.454 7.681 1.265 1.00 0.00 N ATOM 1147 CA THR A 298 7.445 9.004 1.870 1.00 0.00 C ATOM 1148 C THR A 298 8.781 9.337 2.540 1.00 0.00 C ATOM 1149 O THR A 298 9.050 10.493 2.865 1.00 0.00 O ATOM 1150 CB THR A 298 6.307 9.104 2.908 1.00 0.00 C ATOM 1151 OG1 THR A 298 5.121 8.503 2.376 1.00 0.00 O ATOM 1152 CG2 THR A 298 6.011 10.550 3.276 1.00 0.00 C ATOM 0 H THR A 298 7.445 6.907 1.930 1.00 0.00 H new ATOM 0 HA THR A 298 7.282 9.727 1.070 1.00 0.00 H new ATOM 0 HB THR A 298 6.628 8.581 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 298 5.101 7.553 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 298 5.205 10.581 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 298 6.905 11.008 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 298 5.711 11.099 2.383 1.00 0.00 H new ATOM 1160 N ALA A 299 9.628 8.337 2.727 1.00 0.00 N ATOM 1161 CA ALA A 299 10.881 8.535 3.442 1.00 0.00 C ATOM 1162 C ALA A 299 11.917 7.514 3.012 1.00 0.00 C ATOM 1163 O ALA A 299 11.650 6.688 2.145 1.00 0.00 O ATOM 1164 CB ALA A 299 10.648 8.452 4.942 1.00 0.00 C ATOM 0 H ALA A 299 9.473 7.385 2.396 1.00 0.00 H new ATOM 0 HA ALA A 299 11.261 9.527 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 299 11.592 8.602 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 299 9.940 9.224 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 299 10.245 7.471 5.194 1.00 0.00 H new ATOM 1170 N ASP A 300 13.096 7.579 3.619 1.00 0.00 N ATOM 1171 CA ASP A 300 14.167 6.632 3.331 1.00 0.00 C ATOM 1172 C ASP A 300 13.743 5.221 3.705 1.00 0.00 C ATOM 1173 O ASP A 300 13.692 4.861 4.883 1.00 0.00 O ATOM 1174 CB ASP A 300 15.447 7.004 4.084 1.00 0.00 C ATOM 1175 CG ASP A 300 16.129 8.233 3.520 1.00 0.00 C ATOM 1176 OD1 ASP A 300 17.129 8.080 2.785 1.00 0.00 O ATOM 1177 OD2 ASP A 300 15.684 9.361 3.824 1.00 0.00 O1- ATOM 0 H ASP A 300 13.336 8.282 4.318 1.00 0.00 H new ATOM 0 HA ASP A 300 14.370 6.673 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 300 15.207 7.177 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 300 16.140 6.163 4.050 1.00 0.00 H new ATOM 1182 N ALA A 301 13.448 4.427 2.695 1.00 0.00 N ATOM 1183 CA ALA A 301 12.971 3.061 2.910 1.00 0.00 C ATOM 1184 C ALA A 301 14.134 2.069 2.834 1.00 0.00 C ATOM 1185 O ALA A 301 14.569 1.698 1.754 1.00 0.00 O ATOM 1186 CB ALA A 301 11.865 2.698 1.913 1.00 0.00 C ATOM 0 H ALA A 301 13.528 4.697 1.715 1.00 0.00 H new ATOM 0 HA ALA A 301 12.541 3.003 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 301 11.530 1.677 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 301 11.026 3.383 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 301 12.251 2.776 0.897 1.00 0.00 H new ATOM 1192 N ASN A 302 14.620 1.646 3.993 1.00 0.00 N ATOM 1193 CA ASN A 302 15.874 0.896 4.101 1.00 0.00 C ATOM 1194 C ASN A 302 15.851 -0.434 3.346 1.00 0.00 C ATOM 1195 O ASN A 302 14.807 -1.050 3.193 1.00 0.00 O ATOM 1196 CB ASN A 302 16.175 0.602 5.570 1.00 0.00 C ATOM 1197 CG ASN A 302 17.609 0.149 5.786 1.00 0.00 C ATOM 1198 OD1 ASN A 302 18.519 0.543 5.052 1.00 0.00 O ATOM 1199 ND2 ASN A 302 17.825 -0.677 6.796 1.00 0.00 N ATOM 0 H ASN A 302 14.159 1.811 4.888 1.00 0.00 H new ATOM 0 HA ASN A 302 16.643 1.524 3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 302 15.986 1.497 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 302 15.495 -0.169 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 302 18.770 -1.010 6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 302 17.047 -0.981 7.381 1.00 0.00 H new ATOM 1206 N SER A 303 17.015 -0.852 2.863 1.00 0.00 N ATOM 1207 CA SER A 303 17.215 -2.207 2.385 1.00 0.00 C ATOM 1208 C SER A 303 18.457 -2.790 3.054 1.00 0.00 C ATOM 1209 O SER A 303 19.582 -2.558 2.601 1.00 0.00 O ATOM 1210 CB SER A 303 17.391 -2.201 0.867 1.00 0.00 C ATOM 1211 OG SER A 303 17.538 -3.513 0.341 1.00 0.00 O ATOM 0 H SER A 303 17.843 -0.260 2.793 1.00 0.00 H new ATOM 0 HA SER A 303 16.347 -2.817 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 303 16.529 -1.720 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 303 18.266 -1.606 0.606 1.00 0.00 H new ATOM 0 HG SER A 303 16.805 -3.700 -0.282 1.00 0.00 H new ATOM 1217 N ASP A 304 18.265 -3.520 4.143 1.00 0.00 N ATOM 1218 CA ASP A 304 19.394 -4.104 4.856 1.00 0.00 C ATOM 1219 C ASP A 304 19.489 -5.599 4.590 1.00 0.00 C ATOM 1220 O ASP A 304 18.596 -6.171 3.970 1.00 0.00 O ATOM 1221 CB ASP A 304 19.319 -3.829 6.366 1.00 0.00 C ATOM 1222 CG ASP A 304 18.231 -4.612 7.073 1.00 0.00 C ATOM 1223 OD1 ASP A 304 18.494 -5.759 7.488 1.00 0.00 O ATOM 1224 OD2 ASP A 304 17.123 -4.074 7.249 1.00 0.00 O1- ATOM 0 H ASP A 304 17.351 -3.721 4.549 1.00 0.00 H new ATOM 0 HA ASP A 304 20.297 -3.626 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 304 20.281 -4.070 6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 304 19.150 -2.764 6.525 1.00 0.00 H new ATOM 1229 N SER A 305 20.553 -6.231 5.062 1.00 0.00 N ATOM 1230 CA SER A 305 20.817 -7.634 4.756 1.00 0.00 C ATOM 1231 C SER A 305 19.666 -8.529 5.203 1.00 0.00 C ATOM 1232 O SER A 305 19.363 -9.539 4.561 1.00 0.00 O ATOM 1233 CB SER A 305 22.104 -8.080 5.439 1.00 0.00 C ATOM 1234 OG SER A 305 22.569 -9.317 4.925 1.00 0.00 O ATOM 0 H SER A 305 21.253 -5.794 5.662 1.00 0.00 H new ATOM 0 HA SER A 305 20.920 -7.726 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 305 22.871 -7.318 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 305 21.934 -8.173 6.512 1.00 0.00 H new ATOM 0 HG SER A 305 23.396 -9.572 5.384 1.00 0.00 H new ATOM 1240 N GLY A 306 19.002 -8.135 6.285 1.00 0.00 N ATOM 1241 CA GLY A 306 17.922 -8.932 6.826 1.00 0.00 C ATOM 1242 C GLY A 306 16.673 -8.852 5.979 1.00 0.00 C ATOM 1243 O GLY A 306 15.641 -9.421 6.335 1.00 0.00 O ATOM 0 H GLY A 306 19.195 -7.274 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 306 18.242 -9.971 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 306 17.695 -8.595 7.837 1.00 0.00 H new ATOM 1247 N GLY A 307 16.767 -8.144 4.859 1.00 0.00 N ATOM 1248 CA GLY A 307 15.642 -8.037 3.956 1.00 0.00 C ATOM 1249 C GLY A 307 14.478 -7.276 4.558 1.00 0.00 C ATOM 1250 O GLY A 307 13.328 -7.680 4.408 1.00 0.00 O ATOM 0 H GLY A 307 17.604 -7.643 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 307 15.962 -7.539 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 307 15.311 -9.037 3.675 1.00 0.00 H new ATOM 1254 N ASP A 308 14.769 -6.188 5.252 1.00 0.00 N ATOM 1255 CA ASP A 308 13.726 -5.397 5.896 1.00 0.00 C ATOM 1256 C ASP A 308 13.670 -3.993 5.302 1.00 0.00 C ATOM 1257 O ASP A 308 14.707 -3.392 5.022 1.00 0.00 O ATOM 1258 CB ASP A 308 13.984 -5.317 7.398 1.00 0.00 C ATOM 1259 CG ASP A 308 12.912 -4.552 8.150 1.00 0.00 C ATOM 1260 OD1 ASP A 308 11.948 -5.187 8.630 1.00 0.00 O ATOM 1261 OD2 ASP A 308 13.048 -3.317 8.297 1.00 0.00 O1- ATOM 0 H ASP A 308 15.715 -5.831 5.385 1.00 0.00 H new ATOM 0 HA ASP A 308 12.767 -5.884 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 308 14.051 -6.327 7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 308 14.949 -4.840 7.569 1.00 0.00 H new ATOM 1266 N VAL A 309 12.459 -3.491 5.099 1.00 0.00 N ATOM 1267 CA VAL A 309 12.244 -2.155 4.554 1.00 0.00 C ATOM 1268 C VAL A 309 10.966 -1.518 5.122 1.00 0.00 C ATOM 1269 O VAL A 309 9.869 -1.744 4.630 1.00 0.00 O ATOM 1270 CB VAL A 309 12.180 -2.194 2.996 1.00 0.00 C ATOM 1271 CG1 VAL A 309 11.320 -3.335 2.488 1.00 0.00 C ATOM 1272 CG2 VAL A 309 11.694 -0.879 2.402 1.00 0.00 C ATOM 0 H VAL A 309 11.598 -3.997 5.307 1.00 0.00 H new ATOM 0 HA VAL A 309 13.092 -1.539 4.853 1.00 0.00 H new ATOM 0 HB VAL A 309 13.205 -2.359 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 309 11.305 -3.322 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 309 11.732 -4.283 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 309 10.304 -3.221 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 309 11.668 -0.958 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 309 10.693 -0.659 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 309 12.373 -0.076 2.691 1.00 0.00 H new ATOM 1282 N THR A 310 11.105 -0.723 6.167 1.00 0.00 N ATOM 1283 CA THR A 310 9.948 -0.066 6.767 1.00 0.00 C ATOM 1284 C THR A 310 9.787 1.350 6.228 1.00 0.00 C ATOM 1285 O THR A 310 10.748 2.119 6.197 1.00 0.00 O ATOM 1286 CB THR A 310 10.076 -0.010 8.313 1.00 0.00 C ATOM 1287 OG1 THR A 310 10.054 -1.333 8.855 1.00 0.00 O ATOM 1288 CG2 THR A 310 8.970 0.833 8.972 1.00 0.00 C ATOM 0 H THR A 310 11.996 -0.515 6.618 1.00 0.00 H new ATOM 0 HA THR A 310 9.069 -0.654 6.503 1.00 0.00 H new ATOM 0 HB THR A 310 11.028 0.472 8.533 1.00 0.00 H new ATOM 0 HG1 THR A 310 9.390 -1.381 9.574 1.00 0.00 H new ATOM 0 HG21 THR A 310 9.110 0.836 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 310 9.019 1.855 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 310 7.996 0.406 8.734 1.00 0.00 H new ATOM 1296 N VAL A 311 8.576 1.684 5.793 1.00 0.00 N ATOM 1297 CA VAL A 311 8.275 3.046 5.350 1.00 0.00 C ATOM 1298 C VAL A 311 6.767 3.249 5.240 1.00 0.00 C ATOM 1299 O VAL A 311 6.015 2.307 4.990 1.00 0.00 O ATOM 1300 CB VAL A 311 8.942 3.362 3.982 1.00 0.00 C ATOM 1301 CG1 VAL A 311 8.363 2.466 2.875 1.00 0.00 C ATOM 1302 CG2 VAL A 311 8.776 4.842 3.609 1.00 0.00 C ATOM 0 H VAL A 311 7.790 1.037 5.737 1.00 0.00 H new ATOM 0 HA VAL A 311 8.681 3.729 6.096 1.00 0.00 H new ATOM 0 HB VAL A 311 10.008 3.155 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 311 8.844 2.704 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 311 8.544 1.420 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 311 7.290 2.638 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 311 9.253 5.031 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 311 7.715 5.083 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 311 9.242 5.464 4.373 1.00 0.00 H new ATOM 1312 N THR A 312 6.332 4.475 5.454 1.00 0.00 N ATOM 1313 CA THR A 312 4.940 4.827 5.291 1.00 0.00 C ATOM 1314 C THR A 312 4.713 5.365 3.881 1.00 0.00 C ATOM 1315 O THR A 312 5.587 6.019 3.305 1.00 0.00 O ATOM 1316 CB THR A 312 4.534 5.889 6.344 1.00 0.00 C ATOM 1317 OG1 THR A 312 4.545 5.302 7.644 1.00 0.00 O ATOM 1318 CG2 THR A 312 3.158 6.529 6.070 1.00 0.00 C ATOM 0 H THR A 312 6.930 5.249 5.744 1.00 0.00 H new ATOM 0 HA THR A 312 4.323 3.940 5.438 1.00 0.00 H new ATOM 0 HB THR A 312 5.268 6.693 6.280 1.00 0.00 H new ATOM 0 HG1 THR A 312 3.710 5.521 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 312 2.937 7.263 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 312 3.173 7.022 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 312 2.390 5.756 6.073 1.00 0.00 H new ATOM 1326 N LEU A 313 3.552 5.081 3.329 1.00 0.00 N ATOM 1327 CA LEU A 313 3.245 5.450 1.966 1.00 0.00 C ATOM 1328 C LEU A 313 2.194 6.541 1.920 1.00 0.00 C ATOM 1329 O LEU A 313 1.256 6.540 2.709 1.00 0.00 O ATOM 1330 CB LEU A 313 2.790 4.217 1.192 1.00 0.00 C ATOM 1331 CG LEU A 313 3.857 3.130 1.112 1.00 0.00 C ATOM 1332 CD1 LEU A 313 3.724 2.136 2.255 1.00 0.00 C ATOM 1333 CD2 LEU A 313 3.834 2.420 -0.227 1.00 0.00 C ATOM 0 H LEU A 313 2.799 4.590 3.811 1.00 0.00 H new ATOM 0 HA LEU A 313 4.145 5.847 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.898 3.807 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 313 2.507 4.514 0.182 1.00 0.00 H new ATOM 0 HG LEU A 313 4.824 3.624 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 313 4.500 1.375 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 313 3.833 2.658 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.744 1.661 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 313 4.608 1.653 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.859 1.955 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 313 4.018 3.140 -1.024 1.00 0.00 H new ATOM 1345 N SER A 314 2.368 7.472 1.001 1.00 0.00 N ATOM 1346 CA SER A 314 1.486 8.618 0.898 1.00 0.00 C ATOM 1347 C SER A 314 0.810 8.656 -0.468 1.00 0.00 C ATOM 1348 O SER A 314 1.439 8.375 -1.489 1.00 0.00 O ATOM 1349 CB SER A 314 2.287 9.903 1.135 1.00 0.00 C ATOM 1350 OG SER A 314 1.460 11.053 1.083 1.00 0.00 O ATOM 0 H SER A 314 3.118 7.456 0.310 1.00 0.00 H new ATOM 0 HA SER A 314 0.708 8.536 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 314 2.778 9.852 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 314 3.073 9.986 0.384 1.00 0.00 H new ATOM 0 HG SER A 314 2.003 11.854 1.240 1.00 0.00 H new ATOM 1632 N VAL A 333 -6.104 -5.160 8.600 1.00 0.00 N ATOM 1633 CA VAL A 333 -5.631 -5.882 7.424 1.00 0.00 C ATOM 1634 C VAL A 333 -4.750 -7.052 7.853 1.00 0.00 C ATOM 1635 O VAL A 333 -4.470 -7.212 9.042 1.00 0.00 O ATOM 1636 CB VAL A 333 -4.846 -4.967 6.466 1.00 0.00 C ATOM 1637 CG1 VAL A 333 -5.730 -3.845 5.944 1.00 0.00 C ATOM 1638 CG2 VAL A 333 -3.621 -4.408 7.160 1.00 0.00 C ATOM 0 HA VAL A 333 -6.506 -6.252 6.890 1.00 0.00 H new ATOM 0 HB VAL A 333 -4.519 -5.561 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -5.154 -3.212 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -6.578 -4.270 5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -6.093 -3.248 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -3.075 -3.763 6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -3.929 -3.830 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -2.977 -5.228 7.477 1.00 0.00 H new ATOM 1648 N GLU A 334 -4.353 -7.884 6.901 1.00 0.00 N ATOM 1649 CA GLU A 334 -3.514 -9.037 7.197 1.00 0.00 C ATOM 1650 C GLU A 334 -2.278 -9.048 6.299 1.00 0.00 C ATOM 1651 O GLU A 334 -2.373 -8.839 5.089 1.00 0.00 O ATOM 1652 CB GLU A 334 -4.297 -10.332 7.018 1.00 0.00 C ATOM 1653 CG GLU A 334 -3.488 -11.575 7.358 1.00 0.00 C ATOM 1654 CD GLU A 334 -4.263 -12.858 7.142 1.00 0.00 C ATOM 1655 OE1 GLU A 334 -5.233 -13.108 7.884 1.00 0.00 O ATOM 1656 OE2 GLU A 334 -3.893 -13.636 6.236 1.00 0.00 O1- ATOM 0 H GLU A 334 -4.598 -7.782 5.916 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.193 -8.962 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.186 -10.301 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.641 -10.401 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -2.586 -11.594 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.167 -11.521 8.398 1.00 0.00 H new ATOM 1663 N ALA A 335 -1.127 -9.308 6.912 1.00 0.00 N ATOM 1664 CA ALA A 335 0.153 -9.271 6.227 1.00 0.00 C ATOM 1665 C ALA A 335 0.262 -10.378 5.179 1.00 0.00 C ATOM 1666 O ALA A 335 -0.419 -11.402 5.270 1.00 0.00 O ATOM 1667 CB ALA A 335 1.283 -9.404 7.235 1.00 0.00 C ATOM 0 H ALA A 335 -1.060 -9.551 7.900 1.00 0.00 H new ATOM 0 HA ALA A 335 0.229 -8.313 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 335 2.240 -9.375 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.233 -8.581 7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 335 1.187 -10.351 7.766 1.00 0.00 H new ATOM 1673 N GLY A 336 1.132 -10.177 4.201 1.00 0.00 N ATOM 1674 CA GLY A 336 1.342 -11.180 3.177 1.00 0.00 C ATOM 1675 C GLY A 336 1.225 -10.611 1.780 1.00 0.00 C ATOM 1676 O GLY A 336 1.303 -11.343 0.794 1.00 0.00 O ATOM 0 H GLY A 336 1.698 -9.335 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 336 2.329 -11.624 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 336 0.614 -11.981 3.302 1.00 0.00 H new ATOM 1680 N ASP A 337 1.019 -9.304 1.698 1.00 0.00 N ATOM 1681 CA ASP A 337 0.894 -8.611 0.426 1.00 0.00 C ATOM 1682 C ASP A 337 2.203 -8.641 -0.358 1.00 0.00 C ATOM 1683 O ASP A 337 3.264 -8.985 0.178 1.00 0.00 O ATOM 1684 CB ASP A 337 0.469 -7.167 0.687 1.00 0.00 C ATOM 1685 CG ASP A 337 -0.643 -7.087 1.713 1.00 0.00 C ATOM 1686 OD1 ASP A 337 -1.828 -7.114 1.319 1.00 0.00 O ATOM 1687 OD2 ASP A 337 -0.332 -7.037 2.918 1.00 0.00 O1- ATOM 0 H ASP A 337 0.934 -8.695 2.512 1.00 0.00 H new ATOM 0 HA ASP A 337 0.141 -9.119 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 337 1.327 -6.592 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 337 0.137 -6.711 -0.246 1.00 0.00 H new ATOM 1692 N ALA A 338 2.123 -8.280 -1.631 1.00 0.00 N ATOM 1693 CA ALA A 338 3.286 -8.280 -2.505 1.00 0.00 C ATOM 1694 C ALA A 338 3.585 -6.862 -2.974 1.00 0.00 C ATOM 1695 O ALA A 338 2.678 -6.045 -3.129 1.00 0.00 O ATOM 1696 CB ALA A 338 3.068 -9.216 -3.690 1.00 0.00 C ATOM 0 H ALA A 338 1.259 -7.982 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 338 4.147 -8.647 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 338 3.949 -9.202 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 338 2.900 -10.230 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 338 2.199 -8.886 -4.259 1.00 0.00 H new ATOM 1702 N VAL A 339 4.856 -6.568 -3.189 1.00 0.00 N ATOM 1703 CA VAL A 339 5.286 -5.209 -3.484 1.00 0.00 C ATOM 1704 C VAL A 339 6.188 -5.173 -4.719 1.00 0.00 C ATOM 1705 O VAL A 339 6.859 -6.152 -5.037 1.00 0.00 O ATOM 1706 CB VAL A 339 6.036 -4.622 -2.255 1.00 0.00 C ATOM 1707 CG1 VAL A 339 6.643 -3.258 -2.564 1.00 0.00 C ATOM 1708 CG2 VAL A 339 5.088 -4.504 -1.077 1.00 0.00 C ATOM 0 H VAL A 339 5.611 -7.253 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 339 4.404 -4.604 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 339 6.849 -5.304 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 339 7.159 -2.881 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 339 7.353 -3.353 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 339 5.852 -2.563 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 339 5.622 -4.092 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 339 4.261 -3.845 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 339 4.700 -5.490 -0.822 1.00 0.00 H new ATOM 1718 N SER A 340 6.159 -4.058 -5.437 1.00 0.00 N ATOM 1719 CA SER A 340 7.064 -3.823 -6.553 1.00 0.00 C ATOM 1720 C SER A 340 7.328 -2.322 -6.685 1.00 0.00 C ATOM 1721 O SER A 340 6.779 -1.531 -5.921 1.00 0.00 O ATOM 1722 CB SER A 340 6.471 -4.389 -7.851 1.00 0.00 C ATOM 1723 OG SER A 340 6.165 -5.768 -7.714 1.00 0.00 O ATOM 0 H SER A 340 5.508 -3.292 -5.262 1.00 0.00 H new ATOM 0 HA SER A 340 8.009 -4.333 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 340 5.568 -3.837 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 340 7.178 -4.250 -8.669 1.00 0.00 H new ATOM 0 HG SER A 340 5.787 -6.104 -8.553 1.00 0.00 H new ATOM 1729 N VAL A 341 8.174 -1.933 -7.631 1.00 0.00 N ATOM 1730 CA VAL A 341 8.523 -0.525 -7.830 1.00 0.00 C ATOM 1731 C VAL A 341 7.990 -0.047 -9.176 1.00 0.00 C ATOM 1732 O VAL A 341 8.012 -0.794 -10.151 1.00 0.00 O ATOM 1733 CB VAL A 341 10.059 -0.317 -7.776 1.00 0.00 C ATOM 1734 CG1 VAL A 341 10.421 1.160 -7.856 1.00 0.00 C ATOM 1735 CG2 VAL A 341 10.644 -0.939 -6.517 1.00 0.00 C ATOM 0 H VAL A 341 8.635 -2.574 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 341 8.069 0.055 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 341 10.490 -0.817 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 341 11.505 1.272 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 341 10.048 1.576 -8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 341 9.970 1.691 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 341 11.722 -0.781 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.195 -0.474 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.434 -2.009 -6.508 1.00 0.00 H new ATOM 1745 N VAL A 342 7.518 1.204 -9.222 1.00 0.00 N ATOM 1746 CA VAL A 342 6.883 1.743 -10.427 1.00 0.00 C ATOM 1747 C VAL A 342 7.907 1.941 -11.546 1.00 0.00 C ATOM 1748 O VAL A 342 7.561 1.959 -12.728 1.00 0.00 O ATOM 1749 CB VAL A 342 6.161 3.087 -10.143 1.00 0.00 C ATOM 1750 CG1 VAL A 342 7.168 4.209 -9.914 1.00 0.00 C ATOM 1751 CG2 VAL A 342 5.203 3.453 -11.277 1.00 0.00 C ATOM 0 H VAL A 342 7.564 1.859 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 342 6.140 1.012 -10.746 1.00 0.00 H new ATOM 0 HB VAL A 342 5.575 2.959 -9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 342 6.637 5.140 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 342 7.798 3.963 -9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 342 7.790 4.327 -10.802 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.713 4.399 -11.048 1.00 0.00 H new ATOM 0 HG22 VAL A 342 5.761 3.550 -12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 342 4.451 2.671 -11.384 1.00 0.00 H new