USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 874 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 423 SER OG : rot 172:sc= -1.7! USER MOD Set 1.2: A 444 ASN : amide:sc= -1.04! C(o=-2.7!,f=-8.8!) USER MOD Set 2.1: A 374 THR OG1 : rot 180:sc= 0.127 USER MOD Set 2.2: A 375 THR OG1 : rot 63:sc= 0.33 USER MOD Set 2.3: A 440 HIS : no HD1:sc= -0.45 K(o=0.0079,f=-1.4) USER MOD Set 3.1: A 421 HIS : no HD1:sc= -4.18! C(o=-4.1!,f=-9.1!) USER MOD Set 3.2: A 442 CYS SG : rot 180:sc= 0.0892 USER MOD Set 4.1: A 411 MET CE :methyl -172:sc= -6.27! (180deg=-6.62!) USER MOD Set 4.2: A 450 MET CE :methyl 154:sc= -3.95! (180deg=-5.95!) USER MOD Set 5.1: A 370 SER OG : rot 41:sc= -1.33! USER MOD Set 5.2: A 377 THR OG1 : rot -118:sc= 0.324 USER MOD Single : A 343 THR OG1 : rot 30:sc= 0.347 USER MOD Single : A 344 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= 0.0451 X(o=0.045,f=0) USER MOD Single : A 352 GLN : amide:sc= -8.37! C(o=-8.4!,f=-12!) USER MOD Single : A 353 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-3.7!) USER MOD Single : A 354 MET CE :methyl -173:sc= -6.32! (180deg=-6.59!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 80:sc= -1.84 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -2.08 K(o=-2.1,f=-0.49) USER MOD Single : A 387 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0486) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 49:sc= -4.12! USER MOD Single : A 408 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.16) USER MOD Single : A 409 TYR OH : rot 130:sc= -0.311 USER MOD Single : A 416 THR OG1 : rot -93:sc= 1.17 USER MOD Single : A 426 GLN : amide:sc= -4.34! C(o=-4.3!,f=-5.1!) USER MOD Single : A 429 TYR OH : rot 16:sc= -0.171 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.781 USER MOD Single : A 439 SER OG : rot 175:sc= 0.691 USER MOD Single : A 445 THR OG1 : rot -118:sc= 1.17 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 171:sc= -4.48! (180deg=-4.58!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 343 -16.118 0.508 4.561 1.00 0.23 N ATOM 73 CA THR A 343 -15.513 0.953 3.345 1.00 0.19 C ATOM 74 C THR A 343 -14.079 1.340 3.656 1.00 0.13 C ATOM 75 O THR A 343 -13.829 2.217 4.480 1.00 0.16 O ATOM 76 CB THR A 343 -16.264 2.180 2.827 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.676 1.943 2.891 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.879 2.487 1.408 1.00 0.20 C ATOM 0 HA THR A 343 -15.545 0.167 2.590 1.00 0.19 H new ATOM 0 HB THR A 343 -15.999 3.032 3.453 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.872 1.331 3.631 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.427 3.364 1.064 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.808 2.685 1.356 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.122 1.635 0.773 1.00 0.20 H new ATOM 86 N TYR A 344 -13.157 0.699 2.976 1.00 0.10 N ATOM 87 CA TYR A 344 -11.747 0.870 3.230 1.00 0.07 C ATOM 88 C TYR A 344 -10.928 0.496 2.024 1.00 0.06 C ATOM 89 O TYR A 344 -11.448 0.278 0.939 1.00 0.08 O ATOM 90 CB TYR A 344 -11.284 -0.007 4.389 1.00 0.08 C ATOM 91 CG TYR A 344 -11.866 -1.400 4.415 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.277 -2.454 3.728 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.012 -1.654 5.137 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.825 -3.722 3.764 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.569 -2.910 5.177 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.977 -3.942 4.491 1.00 0.25 C ATOM 97 OH TYR A 344 -13.546 -5.192 4.524 1.00 0.32 O ATOM 0 H TYR A 344 -13.367 0.040 2.226 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.602 1.923 3.473 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.197 -0.085 4.353 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.536 0.492 5.325 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.377 -2.280 3.157 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.482 -0.849 5.683 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.356 -4.534 3.228 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.470 -3.085 5.746 1.00 0.25 H new ATOM 0 HH TYR A 344 -14.351 -5.171 5.083 1.00 0.32 H new ATOM 107 N ILE A 345 -9.630 0.447 2.228 1.00 0.05 N ATOM 108 CA ILE A 345 -8.743 -0.143 1.265 1.00 0.05 C ATOM 109 C ILE A 345 -8.344 -1.519 1.773 1.00 0.05 C ATOM 110 O ILE A 345 -8.513 -1.785 2.951 1.00 0.08 O ATOM 111 CB ILE A 345 -7.479 0.696 1.035 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.805 2.171 0.988 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.851 0.277 -0.273 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.789 2.475 -0.081 1.00 0.07 C ATOM 0 H ILE A 345 -9.168 0.813 3.060 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.266 -0.202 0.311 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.789 0.528 1.862 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.203 2.488 1.952 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.892 2.742 0.817 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.951 0.866 -0.449 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.590 -0.780 -0.229 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.558 0.443 -1.086 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.001 3.544 -0.087 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.379 2.181 -1.047 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.711 1.923 0.105 1.00 0.07 H new ATOM 126 N GLU A 346 -7.838 -2.395 0.920 1.00 0.05 N ATOM 127 CA GLU A 346 -7.427 -3.720 1.379 1.00 0.05 C ATOM 128 C GLU A 346 -6.171 -4.173 0.696 1.00 0.05 C ATOM 129 O GLU A 346 -5.820 -3.694 -0.359 1.00 0.06 O ATOM 130 CB GLU A 346 -8.529 -4.737 1.135 1.00 0.06 C ATOM 131 CG GLU A 346 -8.744 -5.617 2.313 1.00 0.07 C ATOM 132 CD GLU A 346 -9.674 -6.787 2.054 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.371 -7.615 1.166 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.702 -6.903 2.756 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.702 -2.222 -0.076 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.232 -3.646 2.449 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.457 -4.217 0.897 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.274 -5.347 0.268 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.780 -6.001 2.646 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.149 -5.019 3.130 1.00 0.07 H new ATOM 141 N VAL A 347 -5.471 -5.056 1.366 1.00 0.05 N ATOM 142 CA VAL A 347 -4.210 -5.578 0.903 1.00 0.05 C ATOM 143 C VAL A 347 -3.998 -6.979 1.425 1.00 0.07 C ATOM 144 O VAL A 347 -4.234 -7.266 2.598 1.00 0.08 O ATOM 145 CB VAL A 347 -3.050 -4.729 1.416 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.736 -5.400 1.080 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.090 -3.335 0.850 1.00 0.06 C ATOM 0 H VAL A 347 -5.768 -5.438 2.264 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.238 -5.568 -0.187 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.145 -4.644 2.499 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.911 -4.790 1.448 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.699 -6.383 1.550 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.650 -5.511 -0.001 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.249 -2.761 1.238 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.027 -3.382 -0.237 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.023 -2.852 1.139 1.00 0.06 H new ATOM 157 N ASP A 348 -3.516 -7.819 0.555 1.00 0.08 N ATOM 158 CA ASP A 348 -3.157 -9.174 0.897 1.00 0.11 C ATOM 159 C ASP A 348 -1.711 -9.377 0.524 1.00 0.15 C ATOM 160 O ASP A 348 -1.339 -9.372 -0.637 1.00 0.24 O ATOM 161 CB ASP A 348 -4.060 -10.116 0.105 1.00 0.14 C ATOM 162 CG ASP A 348 -3.832 -11.597 0.363 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.674 -12.021 0.551 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.826 -12.357 0.334 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.358 -7.584 -0.425 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.283 -9.373 1.961 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.098 -9.879 0.336 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.918 -9.922 -0.958 1.00 0.14 H new ATOM 169 N LEU A 349 -0.902 -9.437 1.576 1.00 0.13 N ATOM 170 CA LEU A 349 0.552 -9.393 1.492 1.00 0.14 C ATOM 171 C LEU A 349 1.094 -10.626 0.849 1.00 0.20 C ATOM 172 O LEU A 349 2.075 -10.597 0.115 1.00 0.32 O ATOM 173 CB LEU A 349 1.144 -9.293 2.903 1.00 0.16 C ATOM 174 CG LEU A 349 0.834 -8.038 3.695 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.899 -6.827 2.830 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.505 -8.126 4.351 1.00 0.12 C ATOM 0 H LEU A 349 -1.247 -9.519 2.532 1.00 0.13 H new ATOM 0 HA LEU A 349 0.825 -8.525 0.892 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.795 -10.151 3.478 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.227 -9.383 2.822 1.00 0.16 H new ATOM 0 HG LEU A 349 1.593 -7.952 4.472 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.672 -5.942 3.425 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.900 -6.734 2.409 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.172 -6.917 2.023 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.697 -7.211 4.911 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.275 -8.254 3.590 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.522 -8.977 5.031 1.00 0.12 H new ATOM 188 N GLU A 350 0.450 -11.703 1.230 1.00 0.20 N ATOM 189 CA GLU A 350 0.749 -13.037 0.776 1.00 0.24 C ATOM 190 C GLU A 350 0.477 -13.191 -0.701 1.00 0.22 C ATOM 191 O GLU A 350 1.327 -13.620 -1.469 1.00 0.31 O ATOM 192 CB GLU A 350 -0.126 -13.985 1.544 1.00 0.31 C ATOM 193 CG GLU A 350 0.224 -14.060 2.993 1.00 0.41 C ATOM 194 CD GLU A 350 -0.564 -15.096 3.762 1.00 0.84 C ATOM 195 OE1 GLU A 350 -0.288 -16.300 3.608 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 -1.463 -14.704 4.537 1.00 1.51 O ATOM 0 H GLU A 350 -0.327 -11.671 1.890 1.00 0.20 H new ATOM 0 HA GLU A 350 1.806 -13.247 0.941 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.166 -13.674 1.443 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.047 -14.980 1.105 1.00 0.31 H new ATOM 0 HG2 GLU A 350 1.287 -14.282 3.089 1.00 0.41 H new ATOM 0 HG3 GLU A 350 0.060 -13.083 3.447 1.00 0.41 H new ATOM 203 N ASN A 351 -0.751 -12.880 -1.069 1.00 0.18 N ATOM 204 CA ASN A 351 -1.229 -13.058 -2.426 1.00 0.19 C ATOM 205 C ASN A 351 -1.036 -11.775 -3.174 1.00 0.21 C ATOM 206 O ASN A 351 -1.556 -11.602 -4.278 1.00 0.35 O ATOM 207 CB ASN A 351 -2.704 -13.463 -2.421 1.00 0.27 C ATOM 208 CG ASN A 351 -2.919 -14.832 -1.818 1.00 0.48 C ATOM 209 OD1 ASN A 351 -2.888 -15.846 -2.515 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.144 -14.867 -0.516 1.00 0.39 N ATOM 0 H ASN A 351 -1.448 -12.495 -0.432 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.666 -13.853 -2.915 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.279 -12.727 -1.860 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.085 -13.454 -3.442 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.301 -15.760 -0.049 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.161 -14.001 0.022 1.00 0.39 H new ATOM 217 N GLN A 352 -0.272 -10.894 -2.532 1.00 0.12 N ATOM 218 CA GLN A 352 0.110 -9.602 -3.073 1.00 0.11 C ATOM 219 C GLN A 352 -0.980 -8.964 -3.917 1.00 0.11 C ATOM 220 O GLN A 352 -0.875 -8.876 -5.141 1.00 0.18 O ATOM 221 CB GLN A 352 1.376 -9.770 -3.859 1.00 0.18 C ATOM 222 CG GLN A 352 2.480 -10.396 -3.025 1.00 0.30 C ATOM 223 CD GLN A 352 3.659 -9.482 -2.805 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.608 -9.449 -3.590 1.00 2.22 O ATOM 225 NE2 GLN A 352 3.631 -8.755 -1.706 1.00 1.92 N ATOM 0 H GLN A 352 0.105 -11.067 -1.600 1.00 0.12 H new ATOM 0 HA GLN A 352 0.271 -8.917 -2.241 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.182 -10.394 -4.732 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.706 -8.799 -4.228 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.072 -10.689 -2.058 1.00 0.30 H new ATOM 0 HG3 GLN A 352 2.823 -11.307 -3.516 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.828 -8.808 -1.079 1.00 1.92 H new ATOM 0 HE22 GLN A 352 4.412 -8.139 -1.482 1.00 1.92 H new ATOM 234 N HIS A 353 -2.003 -8.486 -3.246 1.00 0.07 N ATOM 235 CA HIS A 353 -3.146 -7.885 -3.917 1.00 0.07 C ATOM 236 C HIS A 353 -3.780 -6.837 -3.009 1.00 0.06 C ATOM 237 O HIS A 353 -4.105 -7.107 -1.868 1.00 0.07 O ATOM 238 CB HIS A 353 -4.174 -8.958 -4.248 1.00 0.08 C ATOM 239 CG HIS A 353 -5.059 -8.593 -5.398 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.814 -8.971 -6.695 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.189 -7.863 -5.436 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.755 -8.481 -7.478 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.609 -7.808 -6.739 1.00 0.13 N ATOM 0 H HIS A 353 -2.072 -8.500 -2.228 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.810 -7.412 -4.840 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.656 -9.889 -4.478 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.790 -9.145 -3.369 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.027 -9.542 -7.004 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.678 -7.403 -4.590 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.814 -8.611 -8.549 1.00 0.13 H new ATOM 252 N MET A 354 -3.914 -5.644 -3.525 1.00 0.05 N ATOM 253 CA MET A 354 -4.487 -4.531 -2.814 1.00 0.05 C ATOM 254 C MET A 354 -5.804 -4.119 -3.450 1.00 0.04 C ATOM 255 O MET A 354 -5.892 -3.897 -4.655 1.00 0.05 O ATOM 256 CB MET A 354 -3.487 -3.393 -2.846 1.00 0.05 C ATOM 257 CG MET A 354 -3.966 -2.178 -2.108 1.00 0.06 C ATOM 258 SD MET A 354 -3.646 -0.660 -2.983 1.00 0.06 S ATOM 259 CE MET A 354 -4.677 -1.012 -4.370 1.00 0.06 C ATOM 0 H MET A 354 -3.621 -5.413 -4.474 1.00 0.05 H new ATOM 0 HA MET A 354 -4.699 -4.807 -1.781 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.546 -3.730 -2.411 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.281 -3.125 -3.882 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.037 -2.268 -1.928 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.481 -2.138 -1.133 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.542 -0.241 -5.129 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.408 -1.983 -4.787 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.720 -1.030 -4.053 1.00 0.06 H new ATOM 269 N TRP A 355 -6.822 -4.045 -2.611 1.00 0.05 N ATOM 270 CA TRP A 355 -8.181 -3.755 -3.027 1.00 0.05 C ATOM 271 C TRP A 355 -8.652 -2.428 -2.512 1.00 0.05 C ATOM 272 O TRP A 355 -7.994 -1.809 -1.705 1.00 0.05 O ATOM 273 CB TRP A 355 -9.161 -4.780 -2.499 1.00 0.06 C ATOM 274 CG TRP A 355 -9.021 -6.134 -3.067 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.626 -6.601 -4.178 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.255 -7.202 -2.530 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.269 -7.899 -4.396 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.424 -8.303 -3.382 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.437 -7.325 -1.414 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.792 -9.523 -3.139 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.817 -8.523 -1.175 1.00 0.09 C ATOM 282 CH2 TRP A 355 -6.993 -9.614 -2.033 1.00 0.10 C ATOM 0 H TRP A 355 -6.725 -4.187 -1.606 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.153 -3.764 -4.117 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.047 -4.844 -1.417 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.173 -4.425 -2.693 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.296 -6.030 -4.804 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.576 -8.476 -5.179 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.292 -6.489 -0.745 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.929 -10.365 -3.801 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.181 -8.627 -0.309 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.489 -10.545 -1.818 1.00 0.10 H new ATOM 293 N TYR A 356 -9.825 -2.036 -2.953 1.00 0.06 N ATOM 294 CA TYR A 356 -10.543 -0.947 -2.331 1.00 0.06 C ATOM 295 C TYR A 356 -11.909 -1.462 -2.013 1.00 0.06 C ATOM 296 O TYR A 356 -12.628 -1.881 -2.888 1.00 0.07 O ATOM 297 CB TYR A 356 -10.608 0.264 -3.236 1.00 0.06 C ATOM 298 CG TYR A 356 -11.424 1.425 -2.647 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.790 1.317 -2.419 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.833 2.635 -2.356 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.528 2.373 -1.920 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.566 3.693 -1.865 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.910 3.560 -1.648 1.00 0.13 C ATOM 304 OH TYR A 356 -13.638 4.622 -1.159 1.00 0.20 O ATOM 0 H TYR A 356 -10.306 -2.459 -3.747 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.032 -0.617 -1.426 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.595 0.610 -3.441 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.044 -0.029 -4.191 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.288 0.384 -2.637 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.772 2.757 -2.516 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.588 2.260 -1.746 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.077 4.632 -1.650 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.044 5.389 -1.019 1.00 0.20 H new ATOM 314 N TYR A 357 -12.245 -1.498 -0.758 1.00 0.09 N ATOM 315 CA TYR A 357 -13.525 -2.019 -0.381 1.00 0.11 C ATOM 316 C TYR A 357 -14.513 -0.937 -0.077 1.00 0.12 C ATOM 317 O TYR A 357 -14.286 -0.062 0.743 1.00 0.14 O ATOM 318 CB TYR A 357 -13.454 -2.981 0.792 1.00 0.12 C ATOM 319 CG TYR A 357 -13.040 -4.362 0.398 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.731 -4.648 0.032 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.959 -5.384 0.408 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.362 -5.930 -0.322 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.604 -6.659 0.063 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.239 -6.901 -0.355 1.00 0.14 C ATOM 325 OH TYR A 357 -11.955 -8.219 -0.657 1.00 0.18 O ATOM 0 H TYR A 357 -11.660 -1.177 0.013 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.868 -2.574 -1.254 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.750 -2.594 1.529 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.429 -3.026 1.276 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.994 -3.859 0.024 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.980 -5.177 0.693 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.333 -6.135 -0.576 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.323 -7.464 0.101 1.00 0.16 H new ATOM 0 HH TYR A 357 -12.778 -8.749 -0.614 1.00 0.18 H new ATOM 335 N LYS A 358 -15.612 -1.049 -0.751 1.00 0.12 N ATOM 336 CA LYS A 358 -16.733 -0.225 -0.597 1.00 0.14 C ATOM 337 C LYS A 358 -17.956 -1.028 -0.902 1.00 0.17 C ATOM 338 O LYS A 358 -17.982 -1.835 -1.828 1.00 0.19 O ATOM 339 CB LYS A 358 -16.616 0.960 -1.473 1.00 0.18 C ATOM 340 CG LYS A 358 -17.892 1.589 -1.711 1.00 0.24 C ATOM 341 CD LYS A 358 -17.705 3.036 -1.579 1.00 0.28 C ATOM 342 CE LYS A 358 -17.095 3.581 -2.825 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.351 5.032 -3.022 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.743 -1.767 -1.463 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.803 0.141 0.427 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.937 1.681 -1.018 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.175 0.664 -2.425 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.262 1.340 -2.706 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.634 1.232 -0.997 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.663 3.520 -1.390 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.064 3.253 -0.724 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.019 3.410 -2.799 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.484 3.031 -3.682 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -16.901 5.347 -3.905 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.376 5.199 -3.077 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -16.956 5.566 -2.222 1.00 0.47 H new ATOM 357 N ASP A 359 -18.942 -0.814 -0.061 1.00 0.23 N ATOM 358 CA ASP A 359 -20.219 -1.481 -0.146 1.00 0.30 C ATOM 359 C ASP A 359 -20.039 -2.919 0.231 1.00 0.27 C ATOM 360 O ASP A 359 -20.901 -3.772 0.021 1.00 0.33 O ATOM 361 CB ASP A 359 -20.791 -1.333 -1.541 1.00 0.34 C ATOM 362 CG ASP A 359 -22.310 -1.310 -1.555 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.897 -0.224 -1.360 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.924 -2.378 -1.765 1.00 0.60 O ATOM 0 H ASP A 359 -18.876 -0.158 0.717 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.930 -1.028 0.545 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.414 -0.413 -1.988 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.439 -2.156 -2.162 1.00 0.34 H new ATOM 369 N GLY A 360 -18.892 -3.141 0.855 1.00 0.22 N ATOM 370 CA GLY A 360 -18.516 -4.441 1.306 1.00 0.21 C ATOM 371 C GLY A 360 -17.982 -5.281 0.183 1.00 0.19 C ATOM 372 O GLY A 360 -17.838 -6.499 0.279 1.00 0.23 O ATOM 0 H GLY A 360 -18.206 -2.413 1.056 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.760 -4.352 2.086 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.378 -4.935 1.753 1.00 0.21 H new ATOM 376 N LYS A 361 -17.665 -4.571 -0.857 1.00 0.16 N ATOM 377 CA LYS A 361 -17.329 -5.090 -2.141 1.00 0.17 C ATOM 378 C LYS A 361 -16.092 -4.350 -2.585 1.00 0.13 C ATOM 379 O LYS A 361 -15.713 -3.382 -1.936 1.00 0.15 O ATOM 380 CB LYS A 361 -18.547 -4.800 -3.010 1.00 0.22 C ATOM 381 CG LYS A 361 -18.282 -4.406 -4.432 1.00 0.32 C ATOM 382 CD LYS A 361 -18.521 -5.535 -5.396 1.00 0.55 C ATOM 383 CE LYS A 361 -17.879 -6.792 -4.911 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.943 -7.889 -5.908 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.633 -3.552 -0.826 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.110 -6.157 -2.178 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.180 -5.687 -3.015 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.120 -4.002 -2.537 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.921 -3.564 -4.698 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.251 -4.065 -4.525 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.592 -5.693 -5.519 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.123 -5.273 -6.376 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.836 -6.591 -4.664 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.368 -7.113 -3.991 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.483 -8.738 -5.521 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.937 -8.103 -6.126 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.453 -7.597 -6.778 1.00 0.68 H new ATOM 398 N VAL A 362 -15.433 -4.753 -3.642 1.00 0.10 N ATOM 399 CA VAL A 362 -14.287 -3.984 -4.023 1.00 0.09 C ATOM 400 C VAL A 362 -14.584 -3.078 -5.151 1.00 0.09 C ATOM 401 O VAL A 362 -15.284 -3.380 -6.119 1.00 0.11 O ATOM 402 CB VAL A 362 -12.991 -4.744 -4.313 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.715 -5.779 -3.269 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.962 -5.326 -5.692 1.00 0.52 C ATOM 0 H VAL A 362 -15.655 -5.562 -4.222 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.082 -3.425 -3.110 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.185 -4.012 -4.271 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.787 -6.298 -3.508 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.621 -5.298 -2.295 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.535 -6.496 -3.242 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.021 -5.854 -5.844 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.792 -6.022 -5.810 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.052 -4.526 -6.427 1.00 0.52 H new ATOM 414 N ALA A 363 -14.049 -1.945 -4.930 1.00 0.09 N ATOM 415 CA ALA A 363 -14.074 -0.863 -5.815 1.00 0.10 C ATOM 416 C ALA A 363 -12.848 -0.915 -6.664 1.00 0.10 C ATOM 417 O ALA A 363 -12.804 -0.398 -7.779 1.00 0.12 O ATOM 418 CB ALA A 363 -14.039 0.360 -4.972 1.00 0.11 C ATOM 0 H ALA A 363 -13.548 -1.738 -4.066 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.954 -0.878 -6.459 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.057 1.243 -5.611 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.907 0.372 -4.312 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.128 0.363 -4.373 1.00 0.11 H new ATOM 424 N LEU A 364 -11.846 -1.566 -6.109 1.00 0.08 N ATOM 425 CA LEU A 364 -10.560 -1.574 -6.701 1.00 0.07 C ATOM 426 C LEU A 364 -9.835 -2.830 -6.280 1.00 0.06 C ATOM 427 O LEU A 364 -10.147 -3.417 -5.247 1.00 0.08 O ATOM 428 CB LEU A 364 -9.779 -0.329 -6.318 1.00 0.06 C ATOM 429 CG LEU A 364 -8.806 0.086 -7.391 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.481 0.914 -8.449 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.625 0.830 -6.856 1.00 0.06 C ATOM 0 H LEU A 364 -11.918 -2.096 -5.240 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.658 -1.567 -7.787 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.474 0.488 -6.124 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.237 -0.513 -5.390 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.440 -0.842 -7.831 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.753 1.198 -9.209 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.280 0.333 -8.911 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.901 1.812 -7.996 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.962 1.101 -7.678 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.963 1.734 -6.350 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.087 0.198 -6.149 1.00 0.06 H new ATOM 443 N GLU A 365 -8.896 -3.244 -7.095 1.00 0.07 N ATOM 444 CA GLU A 365 -8.170 -4.496 -6.893 1.00 0.07 C ATOM 445 C GLU A 365 -6.961 -4.521 -7.772 1.00 0.07 C ATOM 446 O GLU A 365 -7.072 -4.395 -8.991 1.00 0.09 O ATOM 447 CB GLU A 365 -8.987 -5.737 -7.236 1.00 0.09 C ATOM 448 CG GLU A 365 -10.348 -5.445 -7.826 1.00 0.22 C ATOM 449 CD GLU A 365 -10.782 -6.500 -8.817 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.194 -7.595 -8.379 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.691 -6.246 -10.037 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.605 -2.727 -7.924 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.920 -4.525 -5.832 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.422 -6.346 -7.942 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.116 -6.333 -6.333 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.083 -5.379 -7.024 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.327 -4.473 -8.319 1.00 0.22 H new ATOM 458 N THR A 366 -5.813 -4.666 -7.177 1.00 0.06 N ATOM 459 CA THR A 366 -4.625 -4.823 -7.944 1.00 0.06 C ATOM 460 C THR A 366 -3.608 -5.677 -7.249 1.00 0.06 C ATOM 461 O THR A 366 -3.719 -5.997 -6.077 1.00 0.07 O ATOM 462 CB THR A 366 -4.057 -3.459 -8.297 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.831 -3.583 -9.005 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.858 -2.658 -7.044 1.00 0.07 C ATOM 0 H THR A 366 -5.680 -4.678 -6.166 1.00 0.06 H new ATOM 0 HA THR A 366 -4.885 -5.347 -8.864 1.00 0.06 H new ATOM 0 HB THR A 366 -4.766 -2.944 -8.946 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.016 -3.787 -9.946 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.450 -1.680 -7.298 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.815 -2.532 -6.537 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.164 -3.180 -6.385 1.00 0.07 H new ATOM 472 N ASP A 367 -2.640 -6.041 -8.019 1.00 0.07 N ATOM 473 CA ASP A 367 -1.517 -6.800 -7.604 1.00 0.10 C ATOM 474 C ASP A 367 -0.489 -5.848 -7.069 1.00 0.10 C ATOM 475 O ASP A 367 -0.335 -4.737 -7.575 1.00 0.11 O ATOM 476 CB ASP A 367 -0.988 -7.571 -8.803 1.00 0.15 C ATOM 477 CG ASP A 367 -0.868 -6.757 -10.094 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.764 -5.934 -10.386 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.084 -6.991 -10.861 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.613 -5.802 -9.010 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.777 -7.515 -6.823 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.007 -7.974 -8.553 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.644 -8.422 -8.987 1.00 0.15 H new ATOM 484 N ILE A 368 0.144 -6.257 -5.998 1.00 0.09 N ATOM 485 CA ILE A 368 1.094 -5.409 -5.309 1.00 0.09 C ATOM 486 C ILE A 368 2.300 -6.181 -4.819 1.00 0.09 C ATOM 487 O ILE A 368 2.466 -7.355 -5.120 1.00 0.11 O ATOM 488 CB ILE A 368 0.445 -4.719 -4.113 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.251 -5.758 -3.260 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.510 -3.634 -4.573 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.524 -6.131 -2.021 1.00 0.11 C ATOM 0 H ILE A 368 0.019 -7.179 -5.579 1.00 0.09 H new ATOM 0 HA ILE A 368 1.422 -4.667 -6.037 1.00 0.09 H new ATOM 0 HB ILE A 368 1.210 -4.231 -3.509 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.231 -5.380 -2.967 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.420 -6.654 -3.857 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.962 -3.155 -3.704 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.036 -2.891 -5.154 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.292 -4.075 -5.191 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.032 -6.879 -1.456 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.494 -6.538 -2.307 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.671 -5.245 -1.403 1.00 0.11 H new ATOM 503 N VAL A 369 3.132 -5.496 -4.053 1.00 0.09 N ATOM 504 CA VAL A 369 4.284 -6.112 -3.403 1.00 0.09 C ATOM 505 C VAL A 369 4.696 -5.279 -2.183 1.00 0.09 C ATOM 506 O VAL A 369 5.073 -4.118 -2.299 1.00 0.11 O ATOM 507 CB VAL A 369 5.472 -6.358 -4.387 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.385 -5.497 -5.622 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.815 -6.145 -3.725 1.00 0.12 C ATOM 0 H VAL A 369 3.031 -4.499 -3.862 1.00 0.09 H new ATOM 0 HA VAL A 369 3.990 -7.104 -3.059 1.00 0.09 H new ATOM 0 HB VAL A 369 5.388 -7.403 -4.686 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.234 -5.707 -6.272 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.458 -5.715 -6.153 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.399 -4.446 -5.334 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.610 -6.327 -4.448 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.883 -5.120 -3.362 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.921 -6.834 -2.887 1.00 0.12 H new ATOM 519 N SER A 370 4.569 -5.879 -1.004 1.00 0.09 N ATOM 520 CA SER A 370 4.699 -5.152 0.250 1.00 0.10 C ATOM 521 C SER A 370 5.445 -5.948 1.311 1.00 0.10 C ATOM 522 O SER A 370 5.344 -7.169 1.355 1.00 0.10 O ATOM 523 CB SER A 370 3.326 -4.858 0.796 1.00 0.12 C ATOM 524 OG SER A 370 3.425 -4.278 2.075 1.00 0.70 O ATOM 0 H SER A 370 4.375 -6.874 -0.893 1.00 0.09 H new ATOM 0 HA SER A 370 5.260 -4.243 0.033 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.796 -4.184 0.123 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.744 -5.778 0.850 1.00 0.12 H new ATOM 0 HG SER A 370 4.162 -3.632 2.085 1.00 0.70 H new ATOM 530 N GLY A 371 6.141 -5.242 2.189 1.00 0.09 N ATOM 531 CA GLY A 371 6.570 -5.838 3.429 1.00 0.10 C ATOM 532 C GLY A 371 7.680 -6.877 3.345 1.00 0.11 C ATOM 533 O GLY A 371 7.548 -7.916 3.979 1.00 0.13 O ATOM 0 H GLY A 371 6.415 -4.268 2.062 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.902 -5.039 4.092 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.704 -6.304 3.899 1.00 0.10 H new ATOM 537 N LYS A 372 8.743 -6.635 2.566 1.00 0.11 N ATOM 538 CA LYS A 372 9.783 -7.621 2.350 1.00 0.14 C ATOM 539 C LYS A 372 10.226 -8.229 3.666 1.00 0.16 C ATOM 540 O LYS A 372 10.234 -7.562 4.687 1.00 0.19 O ATOM 541 CB LYS A 372 10.974 -6.991 1.667 1.00 0.17 C ATOM 542 CG LYS A 372 11.596 -5.849 2.384 1.00 0.22 C ATOM 543 CD LYS A 372 13.058 -6.029 2.235 1.00 0.30 C ATOM 544 CE LYS A 372 13.781 -4.729 2.188 1.00 0.47 C ATOM 545 NZ LYS A 372 15.209 -4.906 1.818 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.896 -5.754 2.076 1.00 0.11 H new ATOM 0 HA LYS A 372 9.374 -8.405 1.713 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.733 -7.759 1.517 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.665 -6.651 0.678 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.274 -4.898 1.960 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.308 -5.843 3.435 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.436 -6.624 3.067 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.263 -6.590 1.323 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.298 -4.070 1.467 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.715 -4.241 3.160 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.679 -3.979 1.796 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.677 -5.515 2.520 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.272 -5.349 0.879 1.00 0.48 H new ATOM 559 N PRO A 373 10.582 -9.506 3.618 1.00 0.18 N ATOM 560 CA PRO A 373 10.929 -10.347 4.767 1.00 0.20 C ATOM 561 C PRO A 373 11.638 -9.630 5.929 1.00 0.20 C ATOM 562 O PRO A 373 11.429 -9.967 7.097 1.00 0.22 O ATOM 563 CB PRO A 373 11.838 -11.347 4.097 1.00 0.23 C ATOM 564 CG PRO A 373 11.112 -11.622 2.846 1.00 0.22 C ATOM 565 CD PRO A 373 10.689 -10.270 2.372 1.00 0.19 C ATOM 0 HA PRO A 373 10.049 -10.748 5.270 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.831 -10.937 3.912 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.971 -12.246 4.699 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.749 -12.120 2.115 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.254 -12.272 3.017 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.420 -9.833 1.692 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.739 -10.308 1.838 1.00 0.19 H new ATOM 573 N THR A 374 12.464 -8.641 5.598 1.00 0.20 N ATOM 574 CA THR A 374 13.229 -7.897 6.579 1.00 0.23 C ATOM 575 C THR A 374 12.352 -6.878 7.296 1.00 0.20 C ATOM 576 O THR A 374 12.469 -6.675 8.503 1.00 0.23 O ATOM 577 CB THR A 374 14.390 -7.155 5.884 1.00 0.28 C ATOM 578 OG1 THR A 374 13.952 -5.889 5.358 1.00 0.28 O ATOM 579 CG2 THR A 374 14.923 -7.988 4.741 1.00 0.30 C ATOM 0 H THR A 374 12.618 -8.336 4.637 1.00 0.20 H new ATOM 0 HA THR A 374 13.620 -8.605 7.310 1.00 0.23 H new ATOM 0 HB THR A 374 15.169 -6.986 6.627 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.705 -5.437 4.924 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.742 -7.458 4.255 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.285 -8.942 5.124 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.127 -8.166 4.018 1.00 0.30 H new ATOM 587 N THR A 375 11.467 -6.247 6.540 1.00 0.18 N ATOM 588 CA THR A 375 10.607 -5.207 7.071 1.00 0.18 C ATOM 589 C THR A 375 9.207 -5.333 6.486 1.00 0.14 C ATOM 590 O THR A 375 8.785 -4.566 5.617 1.00 0.13 O ATOM 591 CB THR A 375 11.172 -3.803 6.810 1.00 0.23 C ATOM 592 OG1 THR A 375 12.591 -3.789 7.045 1.00 0.30 O ATOM 593 CG2 THR A 375 10.495 -2.791 7.718 1.00 0.27 C ATOM 0 H THR A 375 11.327 -6.441 5.548 1.00 0.18 H new ATOM 0 HA THR A 375 10.558 -5.341 8.152 1.00 0.18 H new ATOM 0 HB THR A 375 10.979 -3.537 5.771 1.00 0.23 H new ATOM 0 HG1 THR A 375 13.033 -4.396 6.415 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.903 -1.799 7.525 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.423 -2.787 7.523 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.673 -3.060 8.759 1.00 0.27 H new ATOM 601 N PRO A 376 8.513 -6.354 6.959 1.00 0.13 N ATOM 602 CA PRO A 376 7.171 -6.746 6.527 1.00 0.11 C ATOM 603 C PRO A 376 6.078 -5.777 6.921 1.00 0.11 C ATOM 604 O PRO A 376 6.250 -4.901 7.770 1.00 0.15 O ATOM 605 CB PRO A 376 6.950 -8.065 7.252 1.00 0.14 C ATOM 606 CG PRO A 376 8.294 -8.508 7.626 1.00 0.16 C ATOM 607 CD PRO A 376 9.027 -7.268 7.954 1.00 0.15 C ATOM 0 HA PRO A 376 7.119 -6.790 5.439 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.317 -7.934 8.130 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.457 -8.794 6.609 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.263 -9.186 8.479 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.774 -9.046 6.809 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.822 -6.927 8.969 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.106 -7.397 7.873 1.00 0.15 H new ATOM 615 N THR A 377 4.946 -5.961 6.263 1.00 0.08 N ATOM 616 CA THR A 377 3.744 -5.233 6.556 1.00 0.08 C ATOM 617 C THR A 377 3.087 -5.776 7.821 1.00 0.08 C ATOM 618 O THR A 377 3.186 -6.959 8.139 1.00 0.11 O ATOM 619 CB THR A 377 2.764 -5.363 5.383 1.00 0.09 C ATOM 620 OG1 THR A 377 3.389 -6.106 4.327 1.00 0.12 O ATOM 621 CG2 THR A 377 2.328 -4.014 4.857 1.00 0.11 C ATOM 0 H THR A 377 4.845 -6.632 5.501 1.00 0.08 H new ATOM 0 HA THR A 377 4.001 -4.185 6.710 1.00 0.08 H new ATOM 0 HB THR A 377 1.876 -5.882 5.744 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.452 -5.545 3.526 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.635 -4.154 4.027 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.834 -3.456 5.652 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.200 -3.459 4.512 1.00 0.11 H new ATOM 629 N PRO A 378 2.363 -4.895 8.502 1.00 0.07 N ATOM 630 CA PRO A 378 1.800 -5.119 9.832 1.00 0.07 C ATOM 631 C PRO A 378 0.521 -5.945 9.827 1.00 0.07 C ATOM 632 O PRO A 378 0.387 -6.888 10.608 1.00 0.09 O ATOM 633 CB PRO A 378 1.477 -3.707 10.317 1.00 0.08 C ATOM 634 CG PRO A 378 1.778 -2.776 9.193 1.00 0.09 C ATOM 635 CD PRO A 378 2.010 -3.594 7.985 1.00 0.08 C ATOM 0 HA PRO A 378 2.497 -5.679 10.455 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.430 -3.631 10.610 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.073 -3.456 11.195 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.949 -2.086 9.035 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.656 -2.172 9.421 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.119 -3.642 7.359 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.809 -3.179 7.370 1.00 0.08 H new ATOM 643 N ALA A 379 -0.421 -5.560 8.962 1.00 0.06 N ATOM 644 CA ALA A 379 -1.717 -6.216 8.852 1.00 0.07 C ATOM 645 C ALA A 379 -2.616 -6.014 10.064 1.00 0.07 C ATOM 646 O ALA A 379 -2.270 -6.347 11.200 1.00 0.09 O ATOM 647 CB ALA A 379 -1.533 -7.666 8.514 1.00 0.08 C ATOM 0 H ALA A 379 -0.301 -4.779 8.317 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.251 -5.731 8.035 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.508 -8.147 8.434 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.006 -7.754 7.564 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.952 -8.151 9.298 1.00 0.08 H new ATOM 653 N GLY A 380 -3.793 -5.465 9.785 1.00 0.08 N ATOM 654 CA GLY A 380 -4.752 -5.156 10.819 1.00 0.10 C ATOM 655 C GLY A 380 -5.814 -4.215 10.320 1.00 0.10 C ATOM 656 O GLY A 380 -6.492 -4.497 9.335 1.00 0.11 O ATOM 0 H GLY A 380 -4.100 -5.226 8.842 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.217 -6.076 11.173 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.239 -4.709 11.671 1.00 0.10 H new ATOM 660 N VAL A 381 -5.931 -3.086 10.988 1.00 0.11 N ATOM 661 CA VAL A 381 -6.867 -2.063 10.611 1.00 0.12 C ATOM 662 C VAL A 381 -6.127 -0.739 10.497 1.00 0.12 C ATOM 663 O VAL A 381 -5.584 -0.211 11.470 1.00 0.21 O ATOM 664 CB VAL A 381 -8.035 -1.977 11.610 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.583 -1.542 12.998 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.138 -1.072 11.077 1.00 0.87 C ATOM 0 H VAL A 381 -5.374 -2.857 11.811 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.305 -2.311 9.644 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.440 -2.983 11.717 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.445 -1.497 13.664 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.861 -2.260 13.387 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.120 -0.557 12.938 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.953 -1.027 11.800 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.740 -0.070 10.915 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.512 -1.471 10.134 1.00 0.87 H new ATOM 676 N PHE A 382 -6.046 -0.244 9.291 1.00 0.10 N ATOM 677 CA PHE A 382 -5.221 0.891 8.989 1.00 0.10 C ATOM 678 C PHE A 382 -6.090 2.050 8.543 1.00 0.09 C ATOM 679 O PHE A 382 -7.234 1.840 8.167 1.00 0.11 O ATOM 680 CB PHE A 382 -4.308 0.472 7.860 1.00 0.16 C ATOM 681 CG PHE A 382 -3.411 -0.660 8.218 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.266 -0.455 8.961 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.726 -1.941 7.806 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.448 -1.513 9.283 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.918 -2.997 8.127 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.779 -2.785 8.864 1.00 0.10 C ATOM 0 H PHE A 382 -6.553 -0.619 8.489 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.650 1.209 9.861 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.913 0.189 6.999 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.701 1.325 7.557 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -2.011 0.541 9.291 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.620 -2.110 7.224 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.551 -1.349 9.861 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.175 -3.994 7.802 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.139 -3.618 9.117 1.00 0.10 H new ATOM 696 N TYR A 383 -5.561 3.263 8.591 1.00 0.08 N ATOM 697 CA TYR A 383 -6.301 4.429 8.115 1.00 0.09 C ATOM 698 C TYR A 383 -5.366 5.452 7.542 1.00 0.09 C ATOM 699 O TYR A 383 -4.344 5.757 8.155 1.00 0.11 O ATOM 700 CB TYR A 383 -7.110 5.120 9.212 1.00 0.12 C ATOM 701 CG TYR A 383 -8.099 4.241 9.948 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.302 3.864 9.368 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.827 3.797 11.237 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.204 3.069 10.050 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.722 3.000 11.922 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.910 2.640 11.324 1.00 0.54 C ATOM 707 OH TYR A 383 -10.807 1.848 12.005 1.00 0.69 O ATOM 0 H TYR A 383 -4.629 3.468 8.951 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.987 4.045 7.360 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.416 5.543 9.939 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.653 5.954 8.767 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.537 4.197 8.368 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.899 4.081 11.711 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.136 2.786 9.585 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.492 2.660 12.921 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.446 1.632 12.890 1.00 0.69 H new ATOM 717 N VAL A 384 -5.722 6.022 6.411 1.00 0.09 N ATOM 718 CA VAL A 384 -4.894 7.047 5.834 1.00 0.10 C ATOM 719 C VAL A 384 -5.037 8.353 6.608 1.00 0.11 C ATOM 720 O VAL A 384 -6.143 8.857 6.822 1.00 0.13 O ATOM 721 CB VAL A 384 -5.165 7.253 4.322 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.606 6.978 3.977 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.791 8.652 3.891 1.00 0.14 C ATOM 0 H VAL A 384 -6.565 5.795 5.884 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.861 6.708 5.916 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.541 6.540 3.783 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.760 7.132 2.909 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.851 5.948 4.234 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.250 7.655 4.538 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -4.991 8.770 2.826 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.381 9.376 4.453 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.731 8.821 4.082 1.00 0.14 H new ATOM 733 N TRP A 385 -3.905 8.878 7.052 1.00 0.12 N ATOM 734 CA TRP A 385 -3.896 10.080 7.863 1.00 0.14 C ATOM 735 C TRP A 385 -3.313 11.261 7.125 1.00 0.16 C ATOM 736 O TRP A 385 -3.218 12.367 7.657 1.00 0.19 O ATOM 737 CB TRP A 385 -3.122 9.870 9.141 1.00 0.16 C ATOM 738 CG TRP A 385 -1.797 9.217 8.936 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.560 7.890 8.795 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.533 9.866 8.857 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.209 7.669 8.643 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.441 8.872 8.684 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.132 11.193 8.923 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.797 9.169 8.578 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.202 11.490 8.818 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.160 10.485 8.649 1.00 0.17 C ATOM 0 H TRP A 385 -2.982 8.488 6.863 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.938 10.297 8.098 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.971 10.834 9.627 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.717 9.260 9.820 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.318 7.120 8.801 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.234 6.758 8.520 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.860 11.980 9.055 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.533 8.390 8.445 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.520 12.521 8.867 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.203 10.753 8.573 1.00 0.17 H new ATOM 757 N ASN A 386 -2.933 11.017 5.897 1.00 0.16 N ATOM 758 CA ASN A 386 -2.393 12.051 5.042 1.00 0.21 C ATOM 759 C ASN A 386 -2.448 11.599 3.602 1.00 0.20 C ATOM 760 O ASN A 386 -2.398 10.412 3.308 1.00 0.18 O ATOM 761 CB ASN A 386 -0.955 12.393 5.426 1.00 0.24 C ATOM 762 CG ASN A 386 -0.470 13.619 4.701 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.582 14.739 5.194 1.00 0.41 O ATOM 764 ND2 ASN A 386 0.061 13.412 3.516 1.00 0.31 N ATOM 0 H ASN A 386 -2.988 10.098 5.459 1.00 0.16 H new ATOM 0 HA ASN A 386 -2.997 12.949 5.168 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.893 12.556 6.502 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.304 11.550 5.194 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.401 14.200 2.965 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.133 12.463 3.148 1.00 0.31 H new ATOM 771 N LYS A 387 -2.603 12.545 2.716 1.00 0.22 N ATOM 772 CA LYS A 387 -2.506 12.292 1.310 1.00 0.22 C ATOM 773 C LYS A 387 -1.296 12.984 0.747 1.00 0.19 C ATOM 774 O LYS A 387 -1.156 14.207 0.816 1.00 0.24 O ATOM 775 CB LYS A 387 -3.732 12.781 0.615 1.00 0.32 C ATOM 776 CG LYS A 387 -4.937 11.943 0.832 1.00 1.09 C ATOM 777 CD LYS A 387 -6.141 12.820 0.669 1.00 0.96 C ATOM 778 CE LYS A 387 -6.069 13.618 -0.606 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.390 13.755 -1.274 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.801 13.517 2.954 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.412 11.218 1.152 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -3.945 13.796 0.952 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.531 12.836 -0.455 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.964 11.121 0.117 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.920 11.500 1.828 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.042 12.207 0.666 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.218 13.497 1.520 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.673 14.610 -0.387 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.369 13.139 -1.290 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.302 14.396 -2.089 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.712 12.822 -1.601 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.081 14.144 -0.601 1.00 0.67 H new ATOM 793 N GLU A 388 -0.436 12.190 0.207 1.00 0.18 N ATOM 794 CA GLU A 388 0.798 12.656 -0.336 1.00 0.18 C ATOM 795 C GLU A 388 0.897 12.350 -1.792 1.00 0.23 C ATOM 796 O GLU A 388 0.799 11.227 -2.228 1.00 0.38 O ATOM 797 CB GLU A 388 1.940 12.053 0.436 1.00 0.16 C ATOM 798 CG GLU A 388 2.607 13.081 1.297 1.00 0.16 C ATOM 799 CD GLU A 388 3.781 12.549 2.089 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.552 11.914 3.138 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.936 12.749 1.660 1.00 0.32 O ATOM 0 H GLU A 388 -0.571 11.182 0.128 1.00 0.18 H new ATOM 0 HA GLU A 388 0.844 13.741 -0.240 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.573 11.236 1.057 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.666 11.626 -0.256 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.949 13.902 0.667 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.872 13.494 1.988 1.00 0.16 H new ATOM 808 N GLU A 389 1.054 13.385 -2.534 1.00 0.17 N ATOM 809 CA GLU A 389 1.173 13.289 -3.939 1.00 0.19 C ATOM 810 C GLU A 389 2.499 13.821 -4.371 1.00 0.21 C ATOM 811 O GLU A 389 3.022 14.799 -3.835 1.00 0.26 O ATOM 812 CB GLU A 389 0.070 14.067 -4.582 1.00 0.21 C ATOM 813 CG GLU A 389 -1.283 13.481 -4.356 1.00 0.30 C ATOM 814 CD GLU A 389 -2.354 14.188 -5.156 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.417 13.975 -6.385 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.138 14.951 -4.562 1.00 1.18 O ATOM 0 H GLU A 389 1.104 14.338 -2.174 1.00 0.17 H new ATOM 0 HA GLU A 389 1.100 12.245 -4.243 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.084 15.087 -4.198 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.256 14.128 -5.654 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.269 12.425 -4.625 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.528 13.536 -3.295 1.00 0.30 H new ATOM 823 N ASP A 390 2.998 13.134 -5.383 1.00 0.20 N ATOM 824 CA ASP A 390 4.314 13.368 -5.958 1.00 0.19 C ATOM 825 C ASP A 390 5.344 13.303 -4.851 1.00 0.21 C ATOM 826 O ASP A 390 6.452 13.828 -4.947 1.00 0.40 O ATOM 827 CB ASP A 390 4.345 14.705 -6.676 1.00 0.24 C ATOM 828 CG ASP A 390 5.581 14.896 -7.534 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.697 14.212 -8.573 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.441 15.728 -7.179 1.00 0.36 O ATOM 0 H ASP A 390 2.488 12.379 -5.840 1.00 0.20 H new ATOM 0 HA ASP A 390 4.544 12.601 -6.698 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.458 14.793 -7.304 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.295 15.507 -5.939 1.00 0.24 H new ATOM 835 N ALA A 391 4.956 12.553 -3.835 1.00 0.15 N ATOM 836 CA ALA A 391 5.611 12.527 -2.563 1.00 0.16 C ATOM 837 C ALA A 391 6.794 11.604 -2.562 1.00 0.15 C ATOM 838 O ALA A 391 7.045 10.855 -3.502 1.00 0.16 O ATOM 839 CB ALA A 391 4.606 12.108 -1.502 1.00 0.16 C ATOM 0 H ALA A 391 4.150 11.930 -3.886 1.00 0.15 H new ATOM 0 HA ALA A 391 5.989 13.526 -2.345 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.094 12.085 -0.528 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.783 12.822 -1.478 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.220 11.117 -1.738 1.00 0.16 H new ATOM 845 N THR A 392 7.518 11.689 -1.491 1.00 0.16 N ATOM 846 CA THR A 392 8.719 10.929 -1.331 1.00 0.17 C ATOM 847 C THR A 392 8.709 10.219 -0.011 1.00 0.16 C ATOM 848 O THR A 392 8.896 10.801 1.061 1.00 0.18 O ATOM 849 CB THR A 392 9.986 11.772 -1.466 1.00 0.20 C ATOM 850 OG1 THR A 392 10.197 12.117 -2.845 1.00 0.27 O ATOM 851 CG2 THR A 392 11.189 11.001 -0.919 1.00 0.22 C ATOM 0 H THR A 392 7.292 12.290 -0.699 1.00 0.16 H new ATOM 0 HA THR A 392 8.739 10.202 -2.143 1.00 0.17 H new ATOM 0 HB THR A 392 9.869 12.689 -0.888 1.00 0.20 H new ATOM 0 HG1 THR A 392 11.010 12.659 -2.926 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.088 11.610 -1.019 1.00 0.22 H new ATOM 0 HG22 THR A 392 11.024 10.768 0.133 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.314 10.075 -1.480 1.00 0.22 H new ATOM 859 N LEU A 393 8.431 8.963 -0.133 1.00 0.15 N ATOM 860 CA LEU A 393 8.448 8.039 0.940 1.00 0.16 C ATOM 861 C LEU A 393 9.843 7.753 1.348 1.00 0.17 C ATOM 862 O LEU A 393 10.774 7.953 0.586 1.00 0.18 O ATOM 863 CB LEU A 393 7.784 6.787 0.467 1.00 0.16 C ATOM 864 CG LEU A 393 6.279 6.845 0.427 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.804 7.894 -0.556 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.736 5.510 0.025 1.00 0.24 C ATOM 0 H LEU A 393 8.175 8.540 -1.025 1.00 0.15 H new ATOM 0 HA LEU A 393 7.923 8.448 1.803 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.151 6.553 -0.532 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.085 5.965 1.117 1.00 0.16 H new ATOM 0 HG LEU A 393 5.920 7.110 1.421 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.714 7.916 -0.566 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.184 8.871 -0.257 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.171 7.651 -1.553 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.647 5.554 -0.003 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.114 5.246 -0.962 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.050 4.757 0.748 1.00 0.24 H new ATOM 878 N LYS A 394 9.968 7.324 2.560 1.00 0.20 N ATOM 879 CA LYS A 394 11.205 7.026 3.135 1.00 0.24 C ATOM 880 C LYS A 394 11.012 5.930 4.125 1.00 0.30 C ATOM 881 O LYS A 394 9.905 5.411 4.257 1.00 0.38 O ATOM 882 CB LYS A 394 11.762 8.243 3.781 1.00 0.29 C ATOM 883 CG LYS A 394 12.567 8.985 2.811 1.00 0.29 C ATOM 884 CD LYS A 394 12.174 10.408 2.716 1.00 0.61 C ATOM 885 CE LYS A 394 12.708 11.184 3.888 1.00 0.52 C ATOM 886 NZ LYS A 394 12.496 12.646 3.737 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.176 7.172 3.185 1.00 0.20 H new ATOM 0 HA LYS A 394 11.914 6.698 2.375 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.954 8.871 4.155 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.373 7.965 4.640 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.618 8.920 3.091 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.469 8.519 1.831 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.553 10.834 1.787 1.00 0.61 H new ATOM 0 HD3 LYS A 394 11.088 10.489 2.684 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.221 10.841 4.801 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.773 10.983 4.000 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.880 13.140 4.568 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.982 12.981 2.880 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.478 12.843 3.657 1.00 0.67 H new ATOM 1015 N GLU A 404 14.024 5.738 0.298 1.00 0.28 N ATOM 1016 CA GLU A 404 12.973 6.560 -0.281 1.00 0.24 C ATOM 1017 C GLU A 404 12.160 5.786 -1.291 1.00 0.24 C ATOM 1018 O GLU A 404 12.573 4.756 -1.824 1.00 0.31 O ATOM 1019 CB GLU A 404 13.505 7.789 -0.988 1.00 0.27 C ATOM 1020 CG GLU A 404 13.843 8.963 -0.112 1.00 0.29 C ATOM 1021 CD GLU A 404 14.800 9.927 -0.781 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.334 10.800 -1.544 1.00 0.45 O ATOM 1023 OE2 GLU A 404 16.022 9.827 -0.536 1.00 0.62 O1- ATOM 0 HA GLU A 404 12.358 6.866 0.566 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.400 7.505 -1.542 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.765 8.110 -1.721 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.927 9.490 0.153 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.284 8.604 0.818 1.00 0.29 H new ATOM 1030 N SER A 405 10.986 6.318 -1.512 1.00 0.20 N ATOM 1031 CA SER A 405 10.065 5.851 -2.488 1.00 0.20 C ATOM 1032 C SER A 405 9.471 7.071 -3.191 1.00 0.18 C ATOM 1033 O SER A 405 8.619 7.773 -2.637 1.00 0.23 O ATOM 1034 CB SER A 405 9.001 5.044 -1.757 1.00 0.26 C ATOM 1035 OG SER A 405 7.696 5.380 -2.163 1.00 1.33 O ATOM 0 H SER A 405 10.641 7.123 -0.989 1.00 0.20 H new ATOM 0 HA SER A 405 10.533 5.216 -3.240 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.171 3.982 -1.933 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.098 5.209 -0.684 1.00 0.26 H new ATOM 0 HG SER A 405 7.648 5.380 -3.142 1.00 1.33 H new ATOM 1041 N PRO A 406 9.989 7.405 -4.375 1.00 0.18 N ATOM 1042 CA PRO A 406 9.435 8.464 -5.189 1.00 0.19 C ATOM 1043 C PRO A 406 8.075 8.069 -5.710 1.00 0.17 C ATOM 1044 O PRO A 406 7.944 7.345 -6.695 1.00 0.17 O ATOM 1045 CB PRO A 406 10.437 8.583 -6.327 1.00 0.20 C ATOM 1046 CG PRO A 406 11.013 7.233 -6.417 1.00 0.19 C ATOM 1047 CD PRO A 406 11.147 6.796 -5.001 1.00 0.18 C ATOM 0 HA PRO A 406 9.291 9.399 -4.647 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.954 8.876 -7.259 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.200 9.332 -6.114 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.366 6.561 -6.981 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.979 7.245 -6.923 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.135 5.710 -4.908 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.079 7.143 -4.555 1.00 0.18 H new ATOM 1055 N VAL A 407 7.085 8.605 -5.079 1.00 0.17 N ATOM 1056 CA VAL A 407 5.741 8.266 -5.317 1.00 0.17 C ATOM 1057 C VAL A 407 5.002 9.456 -5.891 1.00 0.19 C ATOM 1058 O VAL A 407 5.479 10.587 -5.886 1.00 0.30 O ATOM 1059 CB VAL A 407 5.190 7.800 -3.965 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.943 8.540 -3.570 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.036 6.289 -3.939 1.00 0.23 C ATOM 0 H VAL A 407 7.205 9.317 -4.358 1.00 0.17 H new ATOM 0 HA VAL A 407 5.623 7.472 -6.055 1.00 0.17 H new ATOM 0 HB VAL A 407 5.920 8.053 -3.196 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.592 8.173 -2.605 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.160 9.606 -3.496 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.171 8.379 -4.322 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.644 5.980 -2.970 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.347 5.980 -4.725 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.007 5.821 -4.103 1.00 0.23 H new ATOM 1071 N ASN A 408 3.886 9.145 -6.463 1.00 0.19 N ATOM 1072 CA ASN A 408 3.022 10.074 -7.117 1.00 0.21 C ATOM 1073 C ASN A 408 1.777 10.164 -6.298 1.00 0.19 C ATOM 1074 O ASN A 408 1.164 11.215 -6.151 1.00 0.26 O ATOM 1075 CB ASN A 408 2.735 9.482 -8.469 1.00 0.34 C ATOM 1076 CG ASN A 408 4.012 9.221 -9.190 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.525 10.051 -9.943 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.537 8.051 -8.933 1.00 1.01 N ATOM 0 H ASN A 408 3.534 8.188 -6.489 1.00 0.19 H new ATOM 0 HA ASN A 408 3.447 11.072 -7.226 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.174 8.554 -8.358 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.112 10.163 -9.049 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.421 7.782 -9.366 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.063 7.407 -8.300 1.00 1.01 H new ATOM 1085 N TYR A 409 1.445 9.021 -5.743 1.00 0.15 N ATOM 1086 CA TYR A 409 0.301 8.902 -4.852 1.00 0.15 C ATOM 1087 C TYR A 409 0.658 8.104 -3.622 1.00 0.14 C ATOM 1088 O TYR A 409 0.979 6.918 -3.696 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.891 8.273 -5.548 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.319 9.039 -6.767 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.772 10.345 -6.677 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.289 8.435 -8.012 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.182 11.030 -7.802 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.697 9.104 -9.139 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.071 10.501 -8.997 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.556 11.078 -10.157 1.00 0.41 O ATOM 0 H TYR A 409 1.953 8.149 -5.892 1.00 0.15 H new ATOM 0 HA TYR A 409 0.023 9.912 -4.552 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.642 7.251 -5.834 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.725 8.214 -4.849 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.805 10.833 -5.714 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.938 7.417 -8.098 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.602 12.019 -7.697 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.739 8.609 -10.098 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.850 11.090 -10.836 1.00 0.41 H new ATOM 1106 N TRP A 410 0.595 8.782 -2.505 1.00 0.13 N ATOM 1107 CA TRP A 410 0.908 8.216 -1.212 1.00 0.11 C ATOM 1108 C TRP A 410 -0.259 8.373 -0.279 1.00 0.10 C ATOM 1109 O TRP A 410 -0.880 9.435 -0.194 1.00 0.12 O ATOM 1110 CB TRP A 410 2.127 8.920 -0.618 1.00 0.12 C ATOM 1111 CG TRP A 410 2.543 8.454 0.739 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.924 9.252 1.762 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.651 7.112 1.217 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.241 8.506 2.855 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.092 7.179 2.548 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.414 5.867 0.654 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.304 6.039 3.320 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.628 4.739 1.409 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.072 4.830 2.732 1.00 0.11 C ATOM 0 H TRP A 410 0.319 9.763 -2.465 1.00 0.13 H new ATOM 0 HA TRP A 410 1.125 7.155 -1.340 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.967 8.791 -1.300 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.918 9.989 -0.568 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.970 10.330 1.718 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.541 8.875 3.757 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.066 5.785 -0.365 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.639 6.110 4.344 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.450 3.767 0.974 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.234 3.925 3.299 1.00 0.11 H new ATOM 1130 N MET A 411 -0.553 7.311 0.410 1.00 0.09 N ATOM 1131 CA MET A 411 -1.560 7.340 1.426 1.00 0.10 C ATOM 1132 C MET A 411 -1.099 6.610 2.684 1.00 0.09 C ATOM 1133 O MET A 411 -1.361 5.419 2.847 1.00 0.10 O ATOM 1134 CB MET A 411 -2.810 6.717 0.873 1.00 0.12 C ATOM 1135 CG MET A 411 -3.889 7.730 0.575 1.00 0.14 C ATOM 1136 SD MET A 411 -4.825 7.287 -0.890 1.00 0.41 S ATOM 1137 CE MET A 411 -5.132 5.563 -0.547 1.00 0.13 C ATOM 0 H MET A 411 -0.103 6.404 0.284 1.00 0.09 H new ATOM 0 HA MET A 411 -1.757 8.373 1.713 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.566 6.174 -0.040 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.192 5.986 1.586 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.563 7.806 1.428 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.438 8.713 0.436 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.581 5.092 -1.421 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.191 5.066 -0.311 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.811 5.476 0.301 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.389 7.310 3.580 1.00 0.09 N ATOM 1148 CA PRO A 412 0.136 6.722 4.818 1.00 0.09 C ATOM 1149 C PRO A 412 -0.956 6.438 5.822 1.00 0.09 C ATOM 1150 O PRO A 412 -1.908 7.202 5.981 1.00 0.09 O ATOM 1151 CB PRO A 412 1.054 7.820 5.348 1.00 0.10 C ATOM 1152 CG PRO A 412 0.420 9.067 4.867 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.037 8.740 3.475 1.00 0.11 C ATOM 0 HA PRO A 412 0.628 5.765 4.645 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.119 7.797 6.436 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.069 7.713 4.965 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.417 9.358 5.502 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.125 9.898 4.869 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.891 9.347 3.176 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.749 8.911 2.739 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.803 5.301 6.469 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.793 4.764 7.376 1.00 0.10 C ATOM 1163 C ILE A 413 -1.197 4.535 8.753 1.00 0.14 C ATOM 1164 O ILE A 413 -1.913 4.304 9.724 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.305 3.440 6.831 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.182 2.392 6.849 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.818 3.684 5.432 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.465 1.161 6.028 1.00 0.11 C ATOM 0 H ILE A 413 0.027 4.715 6.377 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.609 5.481 7.462 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.114 3.051 7.449 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.265 2.854 6.484 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.999 2.091 7.881 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.193 2.750 5.014 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.624 4.417 5.463 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -2.008 4.062 4.808 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.621 0.475 6.097 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.363 0.671 6.405 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.617 1.445 4.987 1.00 0.11 H new ATOM 1180 N ASP A 414 0.128 4.547 8.805 1.00 0.15 N ATOM 1181 CA ASP A 414 0.853 4.409 10.059 1.00 0.22 C ATOM 1182 C ASP A 414 1.973 5.444 10.118 1.00 0.21 C ATOM 1183 O ASP A 414 2.356 5.989 9.083 1.00 0.22 O ATOM 1184 CB ASP A 414 1.415 2.993 10.197 1.00 0.31 C ATOM 1185 CG ASP A 414 2.026 2.729 11.555 1.00 0.88 C ATOM 1186 OD1 ASP A 414 1.278 2.433 12.505 1.00 1.59 O ATOM 1187 OD2 ASP A 414 3.259 2.807 11.673 1.00 1.23 O1- ATOM 0 H ASP A 414 0.726 4.652 7.985 1.00 0.15 H new ATOM 0 HA ASP A 414 0.169 4.582 10.890 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.617 2.272 10.017 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.170 2.831 9.427 1.00 0.31 H new ATOM 1192 N TRP A 415 2.519 5.693 11.300 1.00 0.24 N ATOM 1193 CA TRP A 415 3.538 6.725 11.464 1.00 0.25 C ATOM 1194 C TRP A 415 4.957 6.164 11.387 1.00 0.27 C ATOM 1195 O TRP A 415 5.915 6.849 11.735 1.00 0.31 O ATOM 1196 CB TRP A 415 3.327 7.501 12.760 1.00 0.28 C ATOM 1197 CG TRP A 415 2.255 8.539 12.638 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.438 9.886 12.521 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.839 8.321 12.595 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.224 10.520 12.425 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.229 9.582 12.466 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.024 7.186 12.656 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.150 9.738 12.398 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.348 7.352 12.586 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.920 8.618 12.459 1.00 0.27 C ATOM 0 H TRP A 415 2.276 5.198 12.158 1.00 0.24 H new ATOM 0 HA TRP A 415 3.426 7.414 10.627 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.066 6.806 13.558 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.262 7.981 13.049 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.398 10.381 12.506 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.086 11.527 12.337 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.456 6.201 12.756 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.596 10.717 12.300 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.989 6.484 12.631 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.995 8.711 12.408 1.00 0.27 H new ATOM 1216 N THR A 416 5.109 4.941 10.919 1.00 0.27 N ATOM 1217 CA THR A 416 6.438 4.395 10.702 1.00 0.32 C ATOM 1218 C THR A 416 6.810 4.671 9.270 1.00 0.30 C ATOM 1219 O THR A 416 7.976 4.853 8.912 1.00 0.35 O ATOM 1220 CB THR A 416 6.483 2.880 10.947 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.346 2.261 10.332 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.499 2.565 12.432 1.00 0.44 C ATOM 0 H THR A 416 4.341 4.312 10.684 1.00 0.27 H new ATOM 0 HA THR A 416 7.133 4.860 11.401 1.00 0.32 H new ATOM 0 HB THR A 416 7.400 2.488 10.507 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.619 2.190 10.985 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.531 1.485 12.574 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.378 3.018 12.891 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.599 2.966 12.899 1.00 0.44 H new ATOM 1230 N GLY A 417 5.766 4.767 8.480 1.00 0.24 N ATOM 1231 CA GLY A 417 5.902 5.035 7.087 1.00 0.24 C ATOM 1232 C GLY A 417 5.207 4.008 6.245 1.00 0.19 C ATOM 1233 O GLY A 417 5.625 3.720 5.127 1.00 0.20 O ATOM 0 H GLY A 417 4.802 4.660 8.796 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.493 6.021 6.866 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.960 5.063 6.825 1.00 0.24 H new ATOM 1237 N VAL A 418 4.132 3.456 6.779 1.00 0.15 N ATOM 1238 CA VAL A 418 3.361 2.490 6.040 1.00 0.11 C ATOM 1239 C VAL A 418 2.107 3.117 5.474 1.00 0.09 C ATOM 1240 O VAL A 418 1.541 4.045 6.057 1.00 0.09 O ATOM 1241 CB VAL A 418 2.995 1.254 6.893 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.057 0.323 6.150 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.252 0.515 7.257 1.00 0.17 C ATOM 0 H VAL A 418 3.781 3.662 7.714 1.00 0.15 H new ATOM 0 HA VAL A 418 3.992 2.150 5.219 1.00 0.11 H new ATOM 0 HB VAL A 418 2.484 1.598 7.792 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.821 -0.535 6.780 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.138 0.854 5.902 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.536 -0.021 5.233 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.999 -0.358 7.859 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.762 0.194 6.348 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.908 1.172 7.828 1.00 0.17 H new ATOM 1253 N GLY A 419 1.689 2.602 4.337 1.00 0.10 N ATOM 1254 CA GLY A 419 0.518 3.113 3.666 1.00 0.08 C ATOM 1255 C GLY A 419 0.352 2.512 2.293 1.00 0.08 C ATOM 1256 O GLY A 419 1.014 1.527 1.961 1.00 0.09 O ATOM 0 H GLY A 419 2.147 1.826 3.858 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.367 2.899 4.266 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.592 4.197 3.582 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.517 3.105 1.491 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.702 2.672 0.134 1.00 0.09 C ATOM 1262 C ILE A 420 0.010 3.647 -0.794 1.00 0.07 C ATOM 1263 O ILE A 420 -0.007 4.853 -0.552 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.206 2.603 -0.211 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.642 1.169 -0.465 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.518 3.430 -1.420 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.827 0.333 0.778 1.00 0.11 C ATOM 0 H ILE A 420 -1.104 3.892 1.768 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.282 1.674 0.009 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.752 2.998 0.646 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.580 1.182 -1.020 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.901 0.687 -1.103 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.583 3.364 -1.641 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.251 4.469 -1.229 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.947 3.060 -2.271 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.138 -0.673 0.497 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.886 0.282 1.326 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.591 0.785 1.410 1.00 0.11 H new ATOM 1279 N HIS A 421 0.636 3.141 -1.835 1.00 0.07 N ATOM 1280 CA HIS A 421 1.304 4.012 -2.790 1.00 0.07 C ATOM 1281 C HIS A 421 1.310 3.409 -4.162 1.00 0.09 C ATOM 1282 O HIS A 421 1.077 2.221 -4.344 1.00 0.11 O ATOM 1283 CB HIS A 421 2.758 4.286 -2.422 1.00 0.09 C ATOM 1284 CG HIS A 421 3.627 3.079 -2.355 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.164 2.473 -3.464 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.114 2.422 -1.285 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.976 1.491 -3.039 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.977 1.418 -1.720 1.00 0.15 N ATOM 0 H HIS A 421 0.699 2.145 -2.044 1.00 0.07 H new ATOM 0 HA HIS A 421 0.738 4.944 -2.770 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.178 4.978 -3.152 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.784 4.788 -1.455 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.874 2.639 -0.255 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.551 0.847 -3.688 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.501 0.763 -1.140 1.00 0.15 H new ATOM 1296 N ASP A 422 1.621 4.255 -5.112 1.00 0.11 N ATOM 1297 CA ASP A 422 1.852 3.861 -6.453 1.00 0.14 C ATOM 1298 C ASP A 422 3.329 3.596 -6.589 1.00 0.19 C ATOM 1299 O ASP A 422 4.134 4.213 -5.900 1.00 0.29 O ATOM 1300 CB ASP A 422 1.431 4.995 -7.364 1.00 0.20 C ATOM 1301 CG ASP A 422 2.573 5.909 -7.737 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.871 6.837 -6.966 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.171 5.696 -8.812 1.00 0.42 O ATOM 0 H ASP A 422 1.720 5.258 -4.956 1.00 0.11 H new ATOM 0 HA ASP A 422 1.286 2.968 -6.720 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.994 4.580 -8.272 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.652 5.578 -6.873 1.00 0.20 H new ATOM 1308 N SER A 423 3.697 2.675 -7.428 1.00 0.15 N ATOM 1309 CA SER A 423 5.089 2.360 -7.568 1.00 0.19 C ATOM 1310 C SER A 423 5.422 2.081 -8.992 1.00 0.15 C ATOM 1311 O SER A 423 5.130 1.021 -9.556 1.00 0.16 O ATOM 1312 CB SER A 423 5.432 1.153 -6.725 1.00 0.26 C ATOM 1313 OG SER A 423 6.807 1.117 -6.441 1.00 1.48 O ATOM 0 H SER A 423 3.065 2.135 -8.019 1.00 0.15 H new ATOM 0 HA SER A 423 5.671 3.218 -7.231 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.865 1.181 -5.795 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.140 0.243 -7.249 1.00 0.26 H new ATOM 0 HG SER A 423 6.987 0.411 -5.786 1.00 1.48 H new ATOM 1319 N ASP A 424 6.048 3.076 -9.548 1.00 0.13 N ATOM 1320 CA ASP A 424 6.473 3.059 -10.918 1.00 0.13 C ATOM 1321 C ASP A 424 7.915 2.572 -11.041 1.00 0.12 C ATOM 1322 O ASP A 424 8.311 1.981 -12.041 1.00 0.15 O ATOM 1323 CB ASP A 424 6.272 4.448 -11.468 1.00 0.15 C ATOM 1324 CG ASP A 424 7.003 4.699 -12.769 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.487 4.299 -13.837 1.00 0.34 O ATOM 1326 OD2 ASP A 424 8.094 5.308 -12.733 1.00 0.35 O1- ATOM 0 H ASP A 424 6.282 3.937 -9.054 1.00 0.13 H new ATOM 0 HA ASP A 424 5.882 2.354 -11.503 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.206 4.618 -11.622 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.607 5.174 -10.727 1.00 0.15 H new ATOM 1331 N TRP A 425 8.690 2.856 -9.985 1.00 0.12 N ATOM 1332 CA TRP A 425 10.085 2.416 -9.872 1.00 0.14 C ATOM 1333 C TRP A 425 10.124 0.918 -9.694 1.00 0.15 C ATOM 1334 O TRP A 425 11.113 0.254 -9.996 1.00 0.18 O ATOM 1335 CB TRP A 425 10.746 3.078 -8.656 1.00 0.14 C ATOM 1336 CG TRP A 425 10.293 2.560 -7.332 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.720 1.456 -6.670 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.330 3.173 -6.508 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.062 1.344 -5.468 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.203 2.397 -5.348 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.563 4.308 -6.651 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.326 2.734 -4.330 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.704 4.651 -5.649 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.585 3.868 -4.497 1.00 0.15 C ATOM 0 H TRP A 425 8.365 3.398 -9.184 1.00 0.12 H new ATOM 0 HA TRP A 425 10.622 2.700 -10.777 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.825 2.946 -8.731 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.553 4.150 -8.695 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.467 0.766 -7.034 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.194 0.600 -4.783 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.640 4.915 -7.541 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.233 2.126 -3.443 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.105 5.544 -5.747 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.893 4.166 -3.724 1.00 0.15 H new ATOM 1355 N GLN A 426 9.040 0.426 -9.131 1.00 0.15 N ATOM 1356 CA GLN A 426 8.876 -0.977 -8.798 1.00 0.17 C ATOM 1357 C GLN A 426 7.706 -1.528 -9.544 1.00 0.18 C ATOM 1358 O GLN A 426 6.600 -1.671 -9.037 1.00 0.28 O ATOM 1359 CB GLN A 426 8.609 -1.074 -7.346 1.00 0.18 C ATOM 1360 CG GLN A 426 9.735 -1.674 -6.536 1.00 0.58 C ATOM 1361 CD GLN A 426 9.367 -3.004 -5.917 1.00 0.63 C ATOM 1362 OE1 GLN A 426 9.859 -3.352 -4.853 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.501 -3.763 -6.569 1.00 0.22 N ATOM 0 H GLN A 426 8.232 0.999 -8.887 1.00 0.15 H new ATOM 0 HA GLN A 426 9.772 -1.537 -9.064 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.395 -0.077 -6.962 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.711 -1.673 -7.195 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.607 -1.805 -7.176 1.00 0.58 H new ATOM 0 HG3 GLN A 426 10.020 -0.978 -5.747 1.00 0.58 H new ATOM 0 HE21 GLN A 426 8.109 -3.444 -7.455 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.226 -4.667 -6.186 1.00 0.22 H new ATOM 1372 N PRO A 427 7.999 -1.844 -10.768 1.00 0.16 N ATOM 1373 CA PRO A 427 7.040 -2.071 -11.810 1.00 0.18 C ATOM 1374 C PRO A 427 6.450 -3.463 -11.800 1.00 0.16 C ATOM 1375 O PRO A 427 5.735 -3.844 -12.730 1.00 0.18 O ATOM 1376 CB PRO A 427 7.907 -1.867 -13.031 1.00 0.23 C ATOM 1377 CG PRO A 427 9.168 -2.481 -12.621 1.00 0.23 C ATOM 1378 CD PRO A 427 9.355 -1.969 -11.255 1.00 0.19 C ATOM 0 HA PRO A 427 6.164 -1.426 -11.733 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.487 -2.350 -13.914 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.028 -0.811 -13.272 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.112 -3.569 -12.640 1.00 0.23 H new ATOM 0 HG3 PRO A 427 9.990 -2.192 -13.276 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.942 -2.654 -10.644 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.876 -1.011 -11.250 1.00 0.19 H new ATOM 1386 N GLU A 428 6.762 -4.210 -10.756 1.00 0.14 N ATOM 1387 CA GLU A 428 6.255 -5.551 -10.604 1.00 0.14 C ATOM 1388 C GLU A 428 5.330 -5.611 -9.406 1.00 0.12 C ATOM 1389 O GLU A 428 5.526 -4.900 -8.428 1.00 0.15 O ATOM 1390 CB GLU A 428 7.391 -6.530 -10.408 1.00 0.17 C ATOM 1391 CG GLU A 428 7.215 -7.830 -11.121 1.00 0.22 C ATOM 1392 CD GLU A 428 8.530 -8.491 -11.472 1.00 0.64 C ATOM 1393 OE1 GLU A 428 9.221 -8.979 -10.554 1.00 0.98 O ATOM 1394 OE2 GLU A 428 8.872 -8.545 -12.667 1.00 1.10 O1- ATOM 0 H GLU A 428 7.370 -3.902 -9.997 1.00 0.14 H new ATOM 0 HA GLU A 428 5.709 -5.821 -11.508 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.317 -6.066 -10.747 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.505 -6.727 -9.342 1.00 0.17 H new ATOM 0 HG2 GLU A 428 6.630 -8.505 -10.496 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.643 -7.664 -12.034 1.00 0.22 H new ATOM 1401 N TYR A 429 4.340 -6.470 -9.518 1.00 0.11 N ATOM 1402 CA TYR A 429 3.231 -6.596 -8.578 1.00 0.10 C ATOM 1403 C TYR A 429 2.638 -7.966 -8.753 1.00 0.10 C ATOM 1404 O TYR A 429 2.371 -8.383 -9.881 1.00 0.14 O ATOM 1405 CB TYR A 429 2.120 -5.625 -8.909 1.00 0.13 C ATOM 1406 CG TYR A 429 2.553 -4.324 -9.540 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.882 -3.235 -8.753 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.641 -4.191 -10.918 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.291 -2.044 -9.318 1.00 0.25 C ATOM 1410 CE2 TYR A 429 3.047 -3.004 -11.493 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.372 -1.933 -10.688 1.00 0.30 C ATOM 1412 OH TYR A 429 3.792 -0.748 -11.255 1.00 0.38 O ATOM 0 H TYR A 429 4.277 -7.129 -10.294 1.00 0.11 H new ATOM 0 HA TYR A 429 3.610 -6.408 -7.573 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.420 -6.119 -9.583 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.575 -5.399 -7.992 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.818 -3.318 -7.678 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.388 -5.029 -11.550 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.546 -1.204 -8.689 1.00 0.25 H new ATOM 0 HE2 TYR A 429 3.110 -2.915 -12.567 1.00 0.29 H new ATOM 0 HH TYR A 429 4.231 -0.197 -10.574 1.00 0.38 H new ATOM 1422 N GLY A 430 2.487 -8.692 -7.686 1.00 0.10 N ATOM 1423 CA GLY A 430 1.912 -9.996 -7.813 1.00 0.12 C ATOM 1424 C GLY A 430 2.485 -10.940 -6.805 1.00 0.13 C ATOM 1425 O GLY A 430 3.161 -10.495 -5.887 1.00 0.13 O ATOM 0 H GLY A 430 2.747 -8.413 -6.740 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.831 -9.934 -7.684 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.092 -10.379 -8.817 1.00 0.12 H new ATOM 1429 N GLY A 431 2.256 -12.238 -7.026 1.00 0.16 N ATOM 1430 CA GLY A 431 2.870 -13.300 -6.229 1.00 0.20 C ATOM 1431 C GLY A 431 4.233 -12.924 -5.693 1.00 0.17 C ATOM 1432 O GLY A 431 4.975 -12.199 -6.354 1.00 0.16 O ATOM 0 H GLY A 431 1.639 -12.580 -7.763 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.213 -13.547 -5.395 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.961 -14.198 -6.839 1.00 0.20 H new ATOM 1436 N ASP A 432 4.629 -13.533 -4.585 1.00 0.18 N ATOM 1437 CA ASP A 432 5.477 -12.855 -3.618 1.00 0.18 C ATOM 1438 C ASP A 432 6.746 -12.356 -4.233 1.00 0.18 C ATOM 1439 O ASP A 432 7.717 -13.076 -4.473 1.00 0.19 O ATOM 1440 CB ASP A 432 5.831 -13.802 -2.481 1.00 0.22 C ATOM 1441 CG ASP A 432 4.641 -14.553 -1.921 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.183 -15.532 -2.559 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.166 -14.181 -0.833 1.00 0.33 O1- ATOM 0 H ASP A 432 4.378 -14.490 -4.335 1.00 0.18 H new ATOM 0 HA ASP A 432 4.913 -12.000 -3.245 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.569 -14.521 -2.836 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.300 -13.233 -1.679 1.00 0.22 H new ATOM 1448 N LEU A 433 6.670 -11.075 -4.470 1.00 0.16 N ATOM 1449 CA LEU A 433 7.732 -10.273 -4.959 1.00 0.15 C ATOM 1450 C LEU A 433 8.372 -9.586 -3.795 1.00 0.14 C ATOM 1451 O LEU A 433 9.557 -9.306 -3.824 1.00 0.15 O ATOM 1452 CB LEU A 433 7.126 -9.302 -5.931 1.00 0.14 C ATOM 1453 CG LEU A 433 6.750 -9.933 -7.257 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.831 -9.024 -8.034 1.00 0.13 C ATOM 1455 CD2 LEU A 433 8.002 -10.252 -8.043 1.00 0.18 C ATOM 0 H LEU A 433 5.813 -10.544 -4.315 1.00 0.16 H new ATOM 0 HA LEU A 433 8.505 -10.850 -5.467 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.237 -8.858 -5.483 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.831 -8.491 -6.110 1.00 0.14 H new ATOM 0 HG LEU A 433 6.213 -10.863 -7.073 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.572 -9.494 -8.983 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.923 -8.845 -7.458 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.333 -8.075 -8.224 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.728 -10.705 -8.996 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.561 -9.334 -8.225 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.621 -10.947 -7.475 1.00 0.18 H new ATOM 1467 N TRP A 434 7.572 -9.284 -2.787 1.00 0.14 N ATOM 1468 CA TRP A 434 8.050 -8.554 -1.628 1.00 0.14 C ATOM 1469 C TRP A 434 9.386 -9.087 -1.139 1.00 0.17 C ATOM 1470 O TRP A 434 10.304 -8.314 -0.858 1.00 0.22 O ATOM 1471 CB TRP A 434 7.001 -8.541 -0.509 1.00 0.15 C ATOM 1472 CG TRP A 434 6.475 -9.888 -0.079 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.685 -10.730 -0.801 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.648 -10.516 1.198 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.396 -11.855 -0.067 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.973 -11.741 1.161 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.319 -10.169 2.362 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.951 -12.610 2.245 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.295 -11.026 3.441 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.616 -12.237 3.375 1.00 0.19 C ATOM 0 H TRP A 434 6.584 -9.535 -2.749 1.00 0.14 H new ATOM 0 HA TRP A 434 8.214 -7.521 -1.936 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.433 -8.047 0.361 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.158 -7.931 -0.835 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.336 -10.541 -1.805 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.840 -12.647 -0.390 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.856 -9.234 2.422 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.424 -13.551 2.194 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.811 -10.753 4.350 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.615 -12.893 4.233 1.00 0.19 H new ATOM 1491 N LYS A 435 9.518 -10.409 -1.159 1.00 0.17 N ATOM 1492 CA LYS A 435 10.694 -11.083 -0.658 1.00 0.19 C ATOM 1493 C LYS A 435 11.949 -10.700 -1.393 1.00 0.20 C ATOM 1494 O LYS A 435 13.055 -10.817 -0.867 1.00 0.22 O ATOM 1495 CB LYS A 435 10.490 -12.550 -0.788 1.00 0.20 C ATOM 1496 CG LYS A 435 9.437 -13.016 0.134 1.00 0.22 C ATOM 1497 CD LYS A 435 9.375 -14.492 0.124 1.00 0.26 C ATOM 1498 CE LYS A 435 8.231 -14.931 0.957 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.571 -16.084 1.834 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.805 -11.039 -1.526 1.00 0.17 H new ATOM 0 HA LYS A 435 10.825 -10.784 0.382 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.215 -12.794 -1.814 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.423 -13.072 -0.575 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.642 -12.659 1.143 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.473 -12.601 -0.162 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.260 -14.857 -0.896 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.305 -14.911 0.510 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.894 -14.097 1.573 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.399 -15.205 0.309 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.737 -16.351 2.395 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.867 -16.891 1.248 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.347 -15.817 2.473 1.00 0.64 H new ATOM 1513 N THR A 436 11.774 -10.248 -2.601 1.00 0.19 N ATOM 1514 CA THR A 436 12.890 -9.932 -3.443 1.00 0.21 C ATOM 1515 C THR A 436 12.940 -8.437 -3.709 1.00 0.19 C ATOM 1516 O THR A 436 14.008 -7.822 -3.757 1.00 0.23 O ATOM 1517 CB THR A 436 12.772 -10.700 -4.771 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.668 -10.208 -5.542 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.547 -12.170 -4.486 1.00 0.25 C ATOM 0 H THR A 436 10.861 -10.089 -3.027 1.00 0.19 H new ATOM 0 HA THR A 436 13.810 -10.228 -2.939 1.00 0.21 H new ATOM 0 HB THR A 436 13.695 -10.559 -5.334 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.932 -9.966 -4.942 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.463 -12.714 -5.427 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.387 -12.562 -3.913 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.628 -12.293 -3.913 1.00 0.25 H new ATOM 1527 N ARG A 437 11.759 -7.854 -3.830 1.00 0.16 N ATOM 1528 CA ARG A 437 11.628 -6.497 -4.320 1.00 0.15 C ATOM 1529 C ARG A 437 11.704 -5.455 -3.221 1.00 0.17 C ATOM 1530 O ARG A 437 11.944 -4.277 -3.479 1.00 0.20 O ATOM 1531 CB ARG A 437 10.317 -6.381 -5.048 1.00 0.14 C ATOM 1532 CG ARG A 437 10.161 -7.391 -6.132 1.00 0.15 C ATOM 1533 CD ARG A 437 9.432 -6.808 -7.316 1.00 0.17 C ATOM 1534 NE ARG A 437 10.203 -5.712 -7.912 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.823 -5.766 -9.096 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.722 -6.835 -9.875 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.554 -4.738 -9.501 1.00 0.36 N ATOM 0 H ARG A 437 10.875 -8.304 -3.594 1.00 0.16 H new ATOM 0 HA ARG A 437 12.468 -6.299 -4.985 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.501 -6.493 -4.335 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.232 -5.382 -5.475 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.142 -7.748 -6.445 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.614 -8.254 -5.753 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.259 -7.585 -8.061 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.454 -6.443 -7.003 1.00 0.17 H new ATOM 0 HE ARG A 437 10.272 -4.842 -7.383 1.00 0.23 H new ATOM 0 HH11 ARG A 437 10.164 -7.634 -9.574 1.00 0.34 H new ATOM 0 HH12 ARG A 437 11.202 -6.858 -10.775 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.642 -3.911 -8.911 1.00 0.36 H new ATOM 0 HH22 ARG A 437 12.029 -4.774 -10.403 1.00 0.36 H new ATOM 1551 N GLY A 438 11.552 -5.906 -2.001 1.00 0.16 N ATOM 1552 CA GLY A 438 12.043 -5.134 -0.874 1.00 0.17 C ATOM 1553 C GLY A 438 11.212 -3.927 -0.461 1.00 0.17 C ATOM 1554 O GLY A 438 11.782 -2.892 -0.117 1.00 0.21 O ATOM 0 H GLY A 438 11.101 -6.788 -1.759 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.127 -5.800 -0.015 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.050 -4.790 -1.110 1.00 0.17 H new ATOM 1558 N SER A 439 9.891 -4.051 -0.450 1.00 0.15 N ATOM 1559 CA SER A 439 9.034 -2.969 0.043 1.00 0.16 C ATOM 1560 C SER A 439 8.942 -3.070 1.570 1.00 0.14 C ATOM 1561 O SER A 439 8.889 -4.159 2.103 1.00 0.20 O ATOM 1562 CB SER A 439 7.643 -3.108 -0.566 1.00 0.22 C ATOM 1563 OG SER A 439 7.708 -3.158 -1.980 1.00 0.47 O ATOM 0 H SER A 439 9.389 -4.879 -0.772 1.00 0.15 H new ATOM 0 HA SER A 439 9.452 -2.003 -0.238 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.166 -4.013 -0.189 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.022 -2.267 -0.257 1.00 0.22 H new ATOM 0 HG SER A 439 6.814 -3.328 -2.343 1.00 0.47 H new ATOM 1569 N HIS A 440 8.934 -1.948 2.275 1.00 0.14 N ATOM 1570 CA HIS A 440 9.047 -1.972 3.737 1.00 0.16 C ATOM 1571 C HIS A 440 7.734 -1.587 4.385 1.00 0.16 C ATOM 1572 O HIS A 440 7.597 -0.490 4.923 1.00 0.21 O ATOM 1573 CB HIS A 440 10.131 -1.012 4.232 1.00 0.22 C ATOM 1574 CG HIS A 440 11.486 -1.267 3.691 1.00 0.26 C ATOM 1575 ND1 HIS A 440 11.847 -0.931 2.416 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.593 -1.785 4.274 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.106 -1.223 2.232 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.588 -1.742 3.340 1.00 0.38 N ATOM 0 H HIS A 440 8.852 -1.016 1.869 1.00 0.14 H new ATOM 0 HA HIS A 440 9.315 -2.991 4.016 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.839 0.006 3.975 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.174 -1.066 5.320 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.673 -2.160 5.284 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.661 -1.064 1.319 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.547 -2.060 3.479 1.00 0.38 H new ATOM 1587 N GLY A 441 6.774 -2.497 4.324 1.00 0.15 N ATOM 1588 CA GLY A 441 5.472 -2.246 4.895 1.00 0.16 C ATOM 1589 C GLY A 441 4.610 -1.457 3.943 1.00 0.15 C ATOM 1590 O GLY A 441 3.418 -1.288 4.154 1.00 0.18 O ATOM 0 H GLY A 441 6.877 -3.412 3.885 1.00 0.15 H new ATOM 0 HA2 GLY A 441 4.986 -3.192 5.133 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.581 -1.699 5.832 1.00 0.16 H new ATOM 1594 N CYS A 442 5.228 -0.997 2.878 1.00 0.14 N ATOM 1595 CA CYS A 442 4.563 -0.157 1.910 1.00 0.16 C ATOM 1596 C CYS A 442 4.050 -0.987 0.749 1.00 0.18 C ATOM 1597 O CYS A 442 4.763 -1.830 0.199 1.00 0.28 O ATOM 1598 CB CYS A 442 5.527 0.913 1.428 1.00 0.20 C ATOM 1599 SG CYS A 442 7.047 0.275 0.684 1.00 0.83 S ATOM 0 H CYS A 442 6.204 -1.195 2.660 1.00 0.14 H new ATOM 0 HA CYS A 442 3.704 0.325 2.378 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.017 1.542 0.698 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.791 1.552 2.270 1.00 0.20 H new ATOM 0 HG CYS A 442 7.795 1.269 0.306 1.00 0.83 H new ATOM 1605 N ILE A 443 2.801 -0.756 0.401 1.00 0.13 N ATOM 1606 CA ILE A 443 2.134 -1.553 -0.599 1.00 0.12 C ATOM 1607 C ILE A 443 2.350 -0.985 -1.979 1.00 0.12 C ATOM 1608 O ILE A 443 1.953 0.138 -2.290 1.00 0.15 O ATOM 1609 CB ILE A 443 0.634 -1.723 -0.298 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.440 -2.754 0.819 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.114 -2.151 -1.560 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.224 -2.488 2.076 1.00 0.10 C ATOM 0 H ILE A 443 2.226 -0.015 0.802 1.00 0.13 H new ATOM 0 HA ILE A 443 2.581 -2.546 -0.567 1.00 0.12 H new ATOM 0 HB ILE A 443 0.228 -0.768 0.034 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.619 -2.797 1.072 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.717 -3.737 0.437 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.174 -2.268 -1.333 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.010 -1.391 -2.332 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.287 -3.100 -1.917 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.019 -3.272 2.805 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.289 -2.476 1.845 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.932 -1.523 2.490 1.00 0.10 H new ATOM 1624 N ASN A 444 3.003 -1.793 -2.781 1.00 0.14 N ATOM 1625 CA ASN A 444 3.412 -1.414 -4.117 1.00 0.16 C ATOM 1626 C ASN A 444 2.245 -1.485 -5.104 1.00 0.11 C ATOM 1627 O ASN A 444 2.108 -2.474 -5.823 1.00 0.12 O ATOM 1628 CB ASN A 444 4.526 -2.357 -4.558 1.00 0.30 C ATOM 1629 CG ASN A 444 5.467 -1.780 -5.570 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.478 -1.184 -5.214 1.00 1.56 O ATOM 1631 ND2 ASN A 444 5.156 -1.982 -6.834 1.00 1.77 N ATOM 0 H ASN A 444 3.269 -2.743 -2.523 1.00 0.14 H new ATOM 0 HA ASN A 444 3.762 -0.382 -4.104 1.00 0.16 H new ATOM 0 HB2 ASN A 444 5.098 -2.659 -3.680 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.077 -3.260 -4.972 1.00 0.30 H new ATOM 0 HD21 ASN A 444 5.769 -1.636 -7.572 1.00 1.77 H new ATOM 0 HD22 ASN A 444 4.302 -2.485 -7.075 1.00 1.77 H new ATOM 1638 N THR A 445 1.423 -0.448 -5.150 1.00 0.11 N ATOM 1639 CA THR A 445 0.308 -0.390 -6.077 1.00 0.10 C ATOM 1640 C THR A 445 0.760 0.202 -7.397 1.00 0.11 C ATOM 1641 O THR A 445 1.598 1.093 -7.445 1.00 0.14 O ATOM 1642 CB THR A 445 -0.826 0.446 -5.455 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.115 -0.063 -4.150 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.077 0.410 -6.307 1.00 0.14 C ATOM 0 H THR A 445 1.511 0.371 -4.549 1.00 0.11 H new ATOM 0 HA THR A 445 -0.064 -1.396 -6.270 1.00 0.10 H new ATOM 0 HB THR A 445 -0.498 1.484 -5.394 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.040 -0.386 -4.122 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.855 1.011 -5.836 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.856 0.813 -7.295 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.422 -0.619 -6.403 1.00 0.14 H new ATOM 1652 N PRO A 446 0.260 -0.353 -8.493 1.00 0.09 N ATOM 1653 CA PRO A 446 0.549 0.141 -9.827 1.00 0.08 C ATOM 1654 C PRO A 446 0.160 1.595 -9.982 1.00 0.09 C ATOM 1655 O PRO A 446 -0.917 1.993 -9.568 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.305 -0.728 -10.720 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.521 -1.967 -9.930 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.612 -1.526 -8.518 1.00 0.09 C ATOM 0 HA PRO A 446 1.612 0.094 -10.062 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.250 -0.241 -10.963 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.196 -0.941 -11.664 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.433 -2.477 -10.241 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.301 -2.670 -10.069 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.635 -1.277 -8.236 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.271 -2.299 -7.829 1.00 0.09 H new ATOM 1666 N PRO A 447 1.021 2.385 -10.613 1.00 0.09 N ATOM 1667 CA PRO A 447 0.870 3.846 -10.738 1.00 0.09 C ATOM 1668 C PRO A 447 -0.435 4.247 -11.365 1.00 0.09 C ATOM 1669 O PRO A 447 -1.026 5.275 -11.032 1.00 0.16 O ATOM 1670 CB PRO A 447 2.031 4.187 -11.661 1.00 0.10 C ATOM 1671 CG PRO A 447 3.036 3.191 -11.254 1.00 0.10 C ATOM 1672 CD PRO A 447 2.237 1.934 -11.293 1.00 0.09 C ATOM 0 HA PRO A 447 0.873 4.358 -9.776 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.761 4.090 -12.712 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.384 5.208 -11.516 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.884 3.160 -11.938 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.435 3.393 -10.260 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.044 1.594 -12.311 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.727 1.112 -10.770 1.00 0.09 H new ATOM 1680 N SER A 448 -0.892 3.412 -12.250 1.00 0.08 N ATOM 1681 CA SER A 448 -2.099 3.683 -12.962 1.00 0.09 C ATOM 1682 C SER A 448 -3.305 3.299 -12.114 1.00 0.09 C ATOM 1683 O SER A 448 -4.315 4.003 -12.096 1.00 0.11 O ATOM 1684 CB SER A 448 -2.101 2.934 -14.281 1.00 0.11 C ATOM 1685 OG SER A 448 -1.755 1.571 -14.090 1.00 1.17 O ATOM 0 H SER A 448 -0.441 2.531 -12.496 1.00 0.08 H new ATOM 0 HA SER A 448 -2.159 4.750 -13.174 1.00 0.09 H new ATOM 0 HB2 SER A 448 -3.087 3.002 -14.741 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.395 3.399 -14.969 1.00 0.11 H new ATOM 0 HG SER A 448 -1.764 1.107 -14.953 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.179 2.193 -11.384 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.256 1.707 -10.536 1.00 0.09 C ATOM 1693 C VAL A 449 -4.309 2.467 -9.211 1.00 0.10 C ATOM 1694 O VAL A 449 -5.369 2.638 -8.615 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.098 0.211 -10.247 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.218 -0.262 -9.339 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.077 -0.599 -11.532 1.00 0.10 C ATOM 0 H VAL A 449 -2.337 1.617 -11.365 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.186 1.874 -11.079 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.143 0.059 -9.744 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.099 -1.327 -9.138 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.183 0.290 -8.400 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.178 -0.090 -9.826 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.964 -1.657 -11.294 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -5.011 -0.447 -12.073 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.241 -0.275 -12.152 1.00 0.10 H new ATOM 1707 N MET A 450 -3.164 2.932 -8.757 1.00 0.10 N ATOM 1708 CA MET A 450 -3.072 3.703 -7.546 1.00 0.11 C ATOM 1709 C MET A 450 -3.772 5.039 -7.723 1.00 0.10 C ATOM 1710 O MET A 450 -4.122 5.708 -6.775 1.00 0.14 O ATOM 1711 CB MET A 450 -1.605 3.879 -7.252 1.00 0.13 C ATOM 1712 CG MET A 450 -1.350 4.584 -5.973 1.00 0.13 C ATOM 1713 SD MET A 450 -2.420 4.024 -4.661 1.00 0.46 S ATOM 1714 CE MET A 450 -2.455 5.523 -3.710 1.00 0.10 C ATOM 0 H MET A 450 -2.269 2.782 -9.224 1.00 0.10 H new ATOM 0 HA MET A 450 -3.562 3.200 -6.712 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.126 2.900 -7.222 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.141 4.436 -8.066 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.311 4.434 -5.680 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.488 5.655 -6.118 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.378 5.566 -3.132 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.602 5.544 -3.032 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.406 6.381 -4.381 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.947 5.402 -8.976 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.651 6.597 -9.382 1.00 0.11 C ATOM 1726 C LYS A 451 -6.137 6.390 -9.340 1.00 0.10 C ATOM 1727 O LYS A 451 -6.922 7.326 -9.252 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.219 6.865 -10.791 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.496 8.261 -11.241 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.453 8.778 -12.191 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.960 7.680 -13.068 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.629 8.148 -14.439 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.593 4.857 -9.762 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.424 7.428 -8.714 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.151 6.668 -10.879 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.728 6.169 -11.458 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.472 8.296 -11.724 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.547 8.916 -10.371 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.872 9.579 -12.801 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.622 9.206 -11.631 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.075 7.230 -12.618 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.719 6.900 -13.128 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.291 7.345 -15.008 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.478 8.553 -14.882 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.886 8.874 -14.388 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.485 5.133 -9.439 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.843 4.687 -9.367 1.00 0.08 C ATOM 1748 C GLU A 452 -8.222 4.681 -7.944 1.00 0.07 C ATOM 1749 O GLU A 452 -9.279 5.132 -7.542 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.923 3.274 -9.892 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.355 3.102 -11.262 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.349 3.422 -12.351 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -9.263 2.608 -12.589 1.00 0.38 O ATOM 1754 OE2 GLU A 452 -8.213 4.489 -12.988 1.00 0.31 O1- ATOM 0 H GLU A 452 -5.813 4.378 -9.575 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.499 5.333 -9.951 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.396 2.612 -9.205 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.966 2.959 -9.900 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.482 3.746 -11.372 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -7.010 2.075 -11.381 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.316 4.103 -7.208 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.379 4.043 -5.809 1.00 0.05 C ATOM 1763 C LEU A 453 -7.306 5.398 -5.179 1.00 0.05 C ATOM 1764 O LEU A 453 -8.243 5.832 -4.568 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.219 3.285 -5.286 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.333 2.944 -3.843 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.500 2.023 -3.639 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.050 2.337 -3.354 1.00 0.06 C ATOM 0 H LEU A 453 -6.490 3.649 -7.598 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.330 3.569 -5.566 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.107 2.365 -5.860 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.313 3.870 -5.442 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.509 3.848 -3.260 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.585 1.772 -2.582 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.414 2.516 -3.970 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.350 1.111 -4.217 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.144 2.091 -2.296 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.838 1.430 -3.920 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.236 3.049 -3.490 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.165 6.053 -5.290 1.00 0.07 N ATOM 1781 CA PHE A 454 -6.023 7.392 -4.750 1.00 0.08 C ATOM 1782 C PHE A 454 -7.194 8.231 -5.239 1.00 0.09 C ATOM 1783 O PHE A 454 -7.634 9.199 -4.620 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.713 8.043 -5.196 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.365 9.262 -4.396 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.773 9.150 -3.152 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.619 10.522 -4.903 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.446 10.277 -2.428 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.291 11.654 -4.188 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.739 11.504 -2.889 1.00 0.29 C ATOM 0 H PHE A 454 -5.330 5.684 -5.745 1.00 0.07 H new ATOM 0 HA PHE A 454 -6.011 7.332 -3.662 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.905 7.316 -5.112 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.788 8.315 -6.249 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.565 8.172 -2.744 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.081 10.621 -5.874 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.947 10.172 -1.476 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.451 12.636 -4.608 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.555 12.373 -2.274 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.682 7.795 -6.396 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.794 8.411 -7.045 1.00 0.11 C ATOM 1802 C GLY A 455 -10.107 8.159 -6.308 1.00 0.10 C ATOM 1803 O GLY A 455 -11.009 8.994 -6.351 1.00 0.13 O ATOM 0 H GLY A 455 -7.300 6.995 -6.900 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.621 9.485 -7.117 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.873 8.032 -8.064 1.00 0.11 H new ATOM 1807 N MET A 456 -10.223 6.992 -5.654 1.00 0.08 N ATOM 1808 CA MET A 456 -11.358 6.698 -4.774 1.00 0.09 C ATOM 1809 C MET A 456 -11.107 7.184 -3.357 1.00 0.10 C ATOM 1810 O MET A 456 -11.949 7.832 -2.739 1.00 0.13 O ATOM 1811 CB MET A 456 -11.639 5.192 -4.705 1.00 0.08 C ATOM 1812 CG MET A 456 -10.470 4.308 -4.999 1.00 0.06 C ATOM 1813 SD MET A 456 -10.932 2.651 -5.502 1.00 0.06 S ATOM 1814 CE MET A 456 -11.626 2.993 -7.095 1.00 0.07 C ATOM 0 H MET A 456 -9.541 6.237 -5.721 1.00 0.08 H new ATOM 0 HA MET A 456 -12.214 7.220 -5.201 1.00 0.09 H new ATOM 0 HB2 MET A 456 -12.011 4.954 -3.709 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.438 4.956 -5.408 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.870 4.764 -5.786 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.839 4.247 -4.112 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.819 2.056 -7.617 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.561 3.540 -6.975 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.926 3.594 -7.676 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.938 6.850 -2.860 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.614 6.998 -1.462 1.00 0.10 C ATOM 1826 C VAL A 457 -8.747 8.181 -1.158 1.00 0.17 C ATOM 1827 O VAL A 457 -7.790 8.515 -1.853 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.981 5.713 -0.907 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.083 5.072 -1.941 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.231 5.964 0.392 1.00 0.10 C ATOM 0 H VAL A 457 -9.179 6.464 -3.421 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.564 7.183 -0.960 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.791 5.020 -0.678 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.644 4.163 -1.529 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.668 4.823 -2.827 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.289 5.767 -2.214 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.799 5.029 0.749 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.435 6.688 0.219 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.920 6.355 1.140 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.138 8.777 -0.071 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.526 9.902 0.504 1.00 0.26 C ATOM 1842 C GLU A 458 -8.455 9.660 1.971 1.00 0.15 C ATOM 1843 O GLU A 458 -8.843 8.582 2.428 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.338 11.136 0.213 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.802 10.921 0.442 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.625 12.172 0.224 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -11.764 12.600 -0.941 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.125 12.744 1.217 1.00 0.83 O ATOM 0 H GLU A 458 -9.948 8.456 0.460 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.529 10.057 0.093 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.990 11.954 0.844 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.175 11.440 -0.821 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.158 10.138 -0.227 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.956 10.564 1.460 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.938 10.609 2.708 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.909 10.479 4.113 1.00 0.13 C ATOM 1857 C LYS A 459 -9.234 10.112 4.695 1.00 0.14 C ATOM 1858 O LYS A 459 -10.301 10.284 4.100 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.389 11.716 4.757 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.923 11.779 4.710 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.486 12.996 5.399 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.529 14.144 4.462 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.889 15.367 5.017 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.536 11.473 2.345 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.229 9.654 4.324 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.807 12.590 4.257 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.722 11.753 5.794 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.491 10.899 5.186 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.577 11.784 3.676 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.129 13.190 6.257 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.474 12.865 5.782 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.029 13.868 3.533 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.567 14.364 4.212 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.948 16.137 4.320 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.380 15.651 5.889 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.891 15.170 5.231 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.133 9.615 5.884 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.295 9.169 6.576 1.00 0.19 C ATOM 1879 C GLY A 460 -10.582 7.710 6.333 1.00 0.19 C ATOM 1880 O GLY A 460 -11.023 6.997 7.237 1.00 0.37 O ATOM 0 H GLY A 460 -8.257 9.508 6.396 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.166 9.338 7.645 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.153 9.763 6.261 1.00 0.19 H new ATOM 1884 N THR A 461 -10.309 7.263 5.113 1.00 0.12 N ATOM 1885 CA THR A 461 -10.588 5.913 4.708 1.00 0.10 C ATOM 1886 C THR A 461 -9.575 4.979 5.335 1.00 0.09 C ATOM 1887 O THR A 461 -8.402 5.319 5.481 1.00 0.12 O ATOM 1888 CB THR A 461 -10.548 5.810 3.166 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.746 6.373 2.614 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.371 4.366 2.673 1.00 0.08 C ATOM 0 H THR A 461 -9.887 7.837 4.383 1.00 0.12 H new ATOM 0 HA THR A 461 -11.584 5.626 5.046 1.00 0.10 H new ATOM 0 HB THR A 461 -9.678 6.371 2.826 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.718 6.308 1.637 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.350 4.354 1.583 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.435 3.962 3.059 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.202 3.756 3.027 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.015 3.811 5.763 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.134 2.808 6.254 1.00 0.10 C ATOM 1900 C PRO A 462 -8.403 2.144 5.138 1.00 0.09 C ATOM 1901 O PRO A 462 -8.759 2.259 3.974 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.029 1.776 6.918 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.388 2.318 6.839 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.390 3.362 5.785 1.00 0.07 C ATOM 0 HA PRO A 462 -8.396 3.240 6.930 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.961 0.814 6.410 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.733 1.610 7.954 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.102 1.530 6.600 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.689 2.740 7.798 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.698 2.959 4.820 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.075 4.175 6.025 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.404 1.435 5.506 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.782 0.517 4.603 1.00 0.14 C ATOM 1914 C VAL A 463 -6.590 -0.775 5.337 1.00 0.12 C ATOM 1915 O VAL A 463 -6.580 -0.815 6.565 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.443 1.002 4.000 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.449 2.493 3.757 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.264 0.606 4.825 1.00 1.09 C ATOM 0 H VAL A 463 -6.988 1.467 6.437 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.441 0.407 3.741 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.345 0.500 3.038 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.492 2.796 3.333 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.250 2.745 3.062 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.610 3.015 4.700 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.351 0.972 4.355 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.357 1.036 5.822 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.222 -0.481 4.901 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.529 -1.822 4.598 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.326 -3.111 5.162 1.00 0.06 C ATOM 1930 C LEU A 464 -5.142 -3.754 4.548 1.00 0.06 C ATOM 1931 O LEU A 464 -4.836 -3.529 3.393 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.518 -3.951 4.860 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.069 -4.721 6.018 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.490 -3.760 7.116 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.217 -5.557 5.525 1.00 0.13 C ATOM 0 H LEU A 464 -6.618 -1.812 3.582 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.174 -3.014 6.237 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.305 -3.308 4.466 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.255 -4.654 4.070 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.315 -5.384 6.443 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.891 -4.323 7.959 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.626 -3.182 7.444 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.255 -3.084 6.734 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.634 -6.128 6.355 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -9.987 -4.908 5.108 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.864 -6.242 4.755 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.455 -4.490 5.359 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.482 -5.424 4.909 1.00 0.06 C ATOM 1949 C VAL A 465 -3.569 -6.627 5.829 1.00 0.08 C ATOM 1950 O VAL A 465 -3.914 -6.469 7.002 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.050 -4.833 4.857 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.034 -3.351 4.481 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.303 -5.063 6.115 1.00 0.07 C ATOM 0 H VAL A 465 -4.558 -4.456 6.373 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.693 -5.708 3.878 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.539 -5.374 4.061 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -1.005 -2.992 4.460 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.484 -3.220 3.497 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.602 -2.783 5.218 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.306 -4.631 6.030 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.833 -4.593 6.944 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.220 -6.134 6.298 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.323 -7.813 5.301 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.451 -9.037 6.081 1.00 0.14 C ATOM 1965 C PHE A 466 -2.659 -10.183 5.457 1.00 0.19 C ATOM 1966 O PHE A 466 -2.676 -10.320 4.216 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.927 -9.407 6.257 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.727 -9.390 4.989 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.613 -10.431 4.094 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.580 -8.340 4.685 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.334 -10.433 2.927 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.307 -8.341 3.512 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.228 -9.319 2.661 1.00 0.19 C ATOM 1974 OXT PHE A 466 -1.978 -10.910 6.211 1.00 1.08 O ATOM 0 H PHE A 466 -3.033 -7.957 4.334 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.026 -8.856 7.068 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.989 -10.402 6.698 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.380 -8.715 6.967 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -4.949 -11.254 4.313 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.676 -7.513 5.373 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.239 -11.245 2.221 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -7.958 -7.507 3.296 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.824 -9.304 1.760 1.00 0.19 H new