USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 837 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 527 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 529 HIS : no HD1:sc= -0.0495 K(o=-0.049,f=-0.77) USER MOD Set 2.1: A 515 GLN :FLIP amide:sc= 0.0621 F(o=-1,f=-0.018) USER MOD Set 2.2: A 518 LYS NZ :NH3+ -178:sc= -0.0796 (180deg=-0.134) USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 451 SER OG : rot -2:sc= 1.01 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 454 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 457 LYS NZ :NH3+ 154:sc= -2! (180deg=-3.89!) USER MOD Single : A 458 LYS NZ :NH3+ -161:sc= -0.0323 (180deg=-0.297) USER MOD Single : A 459 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 SER OG : rot 50:sc= 0.264 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 472 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 474 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.6!) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 SER OG : rot 180:sc= -1.02 USER MOD Single : A 484 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 495 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 496 LYS NZ :NH3+ -108:sc= 0.923 (180deg=-0.0224) USER MOD Single : A 497 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 498 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HE2:sc= -1.65! C(o=-1.7!,f=-5.6!) USER MOD Single : A 513 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 514 LYS NZ :NH3+ 173:sc= 0.527 (180deg=0.316) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 525 CYS SG : rot -162:sc= -2.06 USER MOD Single : A 526 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.042) USER MOD Single : A 528 THR OG1 : rot 48:sc= -0.182 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 545 THR OG1 : rot 32:sc= 0.172 USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 548 SER OG : rot 180:sc= 0 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 552 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 447 2.854 -32.121 -14.717 1.00 0.00 N ATOM 2 CA GLY A 447 2.840 -31.055 -15.702 1.00 0.00 C ATOM 3 C GLY A 447 1.842 -29.965 -15.363 1.00 0.00 C ATOM 4 O GLY A 447 1.051 -30.107 -14.430 1.00 0.00 O ATOM 0 HA2 GLY A 447 3.837 -30.620 -15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 447 2.600 -31.472 -16.680 1.00 0.00 H new ATOM 8 N SER A 448 1.880 -28.874 -16.121 1.00 0.00 N ATOM 9 CA SER A 448 0.976 -27.753 -15.892 1.00 0.00 C ATOM 10 C SER A 448 0.410 -27.235 -17.210 1.00 0.00 C ATOM 11 O SER A 448 1.131 -27.098 -18.198 1.00 0.00 O ATOM 12 CB SER A 448 1.704 -26.625 -15.158 1.00 0.00 C ATOM 13 OG SER A 448 0.845 -25.518 -14.945 1.00 0.00 O ATOM 0 H SER A 448 2.527 -28.742 -16.899 1.00 0.00 H new ATOM 0 HA SER A 448 0.150 -28.104 -15.274 1.00 0.00 H new ATOM 0 HB2 SER A 448 2.076 -26.990 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 448 2.572 -26.310 -15.738 1.00 0.00 H new ATOM 0 HG SER A 448 1.333 -24.811 -14.473 1.00 0.00 H new ATOM 19 N SER A 449 -0.888 -26.948 -17.217 1.00 0.00 N ATOM 20 CA SER A 449 -1.554 -26.448 -18.414 1.00 0.00 C ATOM 21 C SER A 449 -0.997 -25.086 -18.817 1.00 0.00 C ATOM 22 O SER A 449 -0.511 -24.907 -19.933 1.00 0.00 O ATOM 23 CB SER A 449 -3.063 -26.346 -18.180 1.00 0.00 C ATOM 24 OG SER A 449 -3.752 -26.098 -19.393 1.00 0.00 O ATOM 0 H SER A 449 -1.499 -27.053 -16.407 1.00 0.00 H new ATOM 0 HA SER A 449 -1.366 -27.152 -19.225 1.00 0.00 H new ATOM 0 HB2 SER A 449 -3.428 -27.271 -17.733 1.00 0.00 H new ATOM 0 HB3 SER A 449 -3.271 -25.545 -17.470 1.00 0.00 H new ATOM 0 HG SER A 449 -4.714 -26.039 -19.217 1.00 0.00 H new ATOM 30 N GLY A 450 -1.072 -24.127 -17.898 1.00 0.00 N ATOM 31 CA GLY A 450 -0.573 -22.794 -18.175 1.00 0.00 C ATOM 32 C GLY A 450 -1.380 -21.716 -17.480 1.00 0.00 C ATOM 33 O GLY A 450 -2.571 -21.891 -17.223 1.00 0.00 O ATOM 0 H GLY A 450 -1.470 -24.251 -16.967 1.00 0.00 H new ATOM 0 HA2 GLY A 450 0.468 -22.726 -17.858 1.00 0.00 H new ATOM 0 HA3 GLY A 450 -0.590 -22.619 -19.251 1.00 0.00 H new ATOM 37 N SER A 451 -0.731 -20.598 -17.172 1.00 0.00 N ATOM 38 CA SER A 451 -1.395 -19.489 -16.496 1.00 0.00 C ATOM 39 C SER A 451 -0.611 -18.193 -16.680 1.00 0.00 C ATOM 40 O SER A 451 0.601 -18.153 -16.472 1.00 0.00 O ATOM 41 CB SER A 451 -1.554 -19.795 -15.006 1.00 0.00 C ATOM 42 OG SER A 451 -2.519 -20.811 -14.794 1.00 0.00 O ATOM 0 H SER A 451 0.254 -20.436 -17.380 1.00 0.00 H new ATOM 0 HA SER A 451 -2.382 -19.362 -16.941 1.00 0.00 H new ATOM 0 HB2 SER A 451 -0.596 -20.107 -14.591 1.00 0.00 H new ATOM 0 HB3 SER A 451 -1.851 -18.890 -14.475 1.00 0.00 H new ATOM 0 HG SER A 451 -2.900 -21.085 -15.654 1.00 0.00 H new ATOM 48 N SER A 452 -1.314 -17.135 -17.072 1.00 0.00 N ATOM 49 CA SER A 452 -0.685 -15.837 -17.288 1.00 0.00 C ATOM 50 C SER A 452 -1.406 -14.746 -16.502 1.00 0.00 C ATOM 51 O SER A 452 -2.613 -14.820 -16.280 1.00 0.00 O ATOM 52 CB SER A 452 -0.681 -15.490 -18.778 1.00 0.00 C ATOM 53 OG SER A 452 -0.075 -16.520 -19.540 1.00 0.00 O ATOM 0 H SER A 452 -2.319 -17.151 -17.246 1.00 0.00 H new ATOM 0 HA SER A 452 0.344 -15.896 -16.933 1.00 0.00 H new ATOM 0 HB2 SER A 452 -1.704 -15.333 -19.121 1.00 0.00 H new ATOM 0 HB3 SER A 452 -0.145 -14.554 -18.935 1.00 0.00 H new ATOM 0 HG SER A 452 -0.086 -16.275 -20.489 1.00 0.00 H new ATOM 59 N GLY A 453 -0.654 -13.732 -16.083 1.00 0.00 N ATOM 60 CA GLY A 453 -1.237 -12.640 -15.326 1.00 0.00 C ATOM 61 C GLY A 453 -1.515 -11.423 -16.185 1.00 0.00 C ATOM 62 O GLY A 453 -1.000 -11.310 -17.297 1.00 0.00 O ATOM 0 H GLY A 453 0.348 -13.648 -16.254 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -2.166 -12.976 -14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -0.562 -12.363 -14.516 1.00 0.00 H new ATOM 66 N GLN A 454 -2.333 -10.510 -15.670 1.00 0.00 N ATOM 67 CA GLN A 454 -2.680 -9.297 -16.400 1.00 0.00 C ATOM 68 C GLN A 454 -2.970 -8.148 -15.439 1.00 0.00 C ATOM 69 O GLN A 454 -3.909 -8.211 -14.645 1.00 0.00 O ATOM 70 CB GLN A 454 -3.893 -9.546 -17.297 1.00 0.00 C ATOM 71 CG GLN A 454 -3.609 -10.485 -18.458 1.00 0.00 C ATOM 72 CD GLN A 454 -4.643 -10.378 -19.562 1.00 0.00 C ATOM 73 OE1 GLN A 454 -5.657 -11.077 -19.547 1.00 0.00 O ATOM 74 NE2 GLN A 454 -4.392 -9.501 -20.527 1.00 0.00 N ATOM 0 H GLN A 454 -2.767 -10.588 -14.750 1.00 0.00 H new ATOM 0 HA GLN A 454 -1.828 -9.021 -17.022 1.00 0.00 H new ATOM 0 HB2 GLN A 454 -4.701 -9.961 -16.694 1.00 0.00 H new ATOM 0 HB3 GLN A 454 -4.246 -8.592 -17.690 1.00 0.00 H new ATOM 0 HG2 GLN A 454 -2.623 -10.264 -18.866 1.00 0.00 H new ATOM 0 HG3 GLN A 454 -3.579 -11.511 -18.091 1.00 0.00 H new ATOM 0 HE21 GLN A 454 -3.539 -8.942 -20.499 1.00 0.00 H new ATOM 0 HE22 GLN A 454 -5.052 -9.386 -21.296 1.00 0.00 H new ATOM 83 N VAL A 455 -2.158 -7.099 -15.517 1.00 0.00 N ATOM 84 CA VAL A 455 -2.328 -5.935 -14.655 1.00 0.00 C ATOM 85 C VAL A 455 -3.172 -4.864 -15.337 1.00 0.00 C ATOM 86 O VAL A 455 -3.064 -4.627 -16.540 1.00 0.00 O ATOM 87 CB VAL A 455 -0.969 -5.327 -14.259 1.00 0.00 C ATOM 88 CG1 VAL A 455 -0.316 -6.151 -13.160 1.00 0.00 C ATOM 89 CG2 VAL A 455 -0.058 -5.224 -15.472 1.00 0.00 C ATOM 0 H VAL A 455 -1.376 -7.031 -16.168 1.00 0.00 H new ATOM 0 HA VAL A 455 -2.840 -6.279 -13.756 1.00 0.00 H new ATOM 0 HB VAL A 455 -1.138 -4.321 -13.874 1.00 0.00 H new ATOM 0 HG11 VAL A 455 0.643 -5.707 -12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 455 -0.964 -6.168 -12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 455 -0.158 -7.170 -13.514 1.00 0.00 H new ATOM 0 HG21 VAL A 455 0.897 -4.792 -15.174 1.00 0.00 H new ATOM 0 HG22 VAL A 455 0.107 -6.218 -15.889 1.00 0.00 H new ATOM 0 HG23 VAL A 455 -0.524 -4.588 -16.224 1.00 0.00 H new ATOM 99 N PRO A 456 -4.034 -4.201 -14.552 1.00 0.00 N ATOM 100 CA PRO A 456 -4.913 -3.143 -15.058 1.00 0.00 C ATOM 101 C PRO A 456 -4.143 -1.885 -15.444 1.00 0.00 C ATOM 102 O PRO A 456 -4.687 -0.982 -16.080 1.00 0.00 O ATOM 103 CB PRO A 456 -5.844 -2.859 -13.877 1.00 0.00 C ATOM 104 CG PRO A 456 -5.066 -3.270 -12.675 1.00 0.00 C ATOM 105 CD PRO A 456 -4.215 -4.432 -13.109 1.00 0.00 C ATOM 0 HA PRO A 456 -5.435 -3.446 -15.966 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -6.115 -1.804 -13.831 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -6.773 -3.424 -13.960 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -4.449 -2.449 -12.310 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -5.730 -3.556 -11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -3.261 -4.451 -12.582 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -4.706 -5.385 -12.913 1.00 0.00 H new ATOM 113 N LYS A 457 -2.874 -1.831 -15.056 1.00 0.00 N ATOM 114 CA LYS A 457 -2.027 -0.684 -15.362 1.00 0.00 C ATOM 115 C LYS A 457 -0.804 -1.110 -16.167 1.00 0.00 C ATOM 116 O LYS A 457 -0.229 -2.172 -15.928 1.00 0.00 O ATOM 117 CB LYS A 457 -1.586 0.010 -14.071 1.00 0.00 C ATOM 118 CG LYS A 457 -1.098 1.433 -14.281 1.00 0.00 C ATOM 119 CD LYS A 457 -2.243 2.430 -14.215 1.00 0.00 C ATOM 120 CE LYS A 457 -3.001 2.497 -15.532 1.00 0.00 C ATOM 121 NZ LYS A 457 -3.776 3.761 -15.662 1.00 0.00 N ATOM 0 H LYS A 457 -2.408 -2.569 -14.528 1.00 0.00 H new ATOM 0 HA LYS A 457 -2.609 0.016 -15.962 1.00 0.00 H new ATOM 0 HB2 LYS A 457 -2.421 0.021 -13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 457 -0.790 -0.574 -13.608 1.00 0.00 H new ATOM 0 HG2 LYS A 457 -0.355 1.680 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 457 -0.603 1.510 -15.249 1.00 0.00 H new ATOM 0 HD2 LYS A 457 -2.927 2.148 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 457 -1.853 3.417 -13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 457 -2.297 2.416 -16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 457 -3.679 1.646 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 457 -3.907 3.986 -16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 457 -4.705 3.647 -15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 457 -3.258 4.535 -15.199 1.00 0.00 H new ATOM 135 N LYS A 458 -0.408 -0.274 -17.121 1.00 0.00 N ATOM 136 CA LYS A 458 0.749 -0.562 -17.960 1.00 0.00 C ATOM 137 C LYS A 458 1.992 0.150 -17.435 1.00 0.00 C ATOM 138 O LYS A 458 2.824 0.618 -18.212 1.00 0.00 O ATOM 139 CB LYS A 458 0.477 -0.137 -19.405 1.00 0.00 C ATOM 140 CG LYS A 458 0.254 1.357 -19.567 1.00 0.00 C ATOM 141 CD LYS A 458 -0.235 1.699 -20.965 1.00 0.00 C ATOM 142 CE LYS A 458 0.906 1.691 -21.971 1.00 0.00 C ATOM 143 NZ LYS A 458 1.856 2.814 -21.742 1.00 0.00 N ATOM 0 H LYS A 458 -0.872 0.609 -17.332 1.00 0.00 H new ATOM 0 HA LYS A 458 0.928 -1.637 -17.932 1.00 0.00 H new ATOM 0 HB2 LYS A 458 1.318 -0.440 -20.029 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -0.401 -0.669 -19.772 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -0.474 1.699 -18.832 1.00 0.00 H new ATOM 0 HG3 LYS A 458 1.184 1.889 -19.365 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -0.997 0.982 -21.271 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -0.707 2.681 -20.956 1.00 0.00 H new ATOM 0 HE2 LYS A 458 1.441 0.744 -21.905 1.00 0.00 H new ATOM 0 HE3 LYS A 458 0.500 1.759 -22.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 2.418 2.974 -22.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 1.324 3.677 -21.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 2.491 2.576 -20.953 1.00 0.00 H new ATOM 157 N GLN A 459 2.111 0.226 -16.114 1.00 0.00 N ATOM 158 CA GLN A 459 3.254 0.880 -15.487 1.00 0.00 C ATOM 159 C GLN A 459 3.677 0.142 -14.221 1.00 0.00 C ATOM 160 O GLN A 459 2.858 -0.119 -13.338 1.00 0.00 O ATOM 161 CB GLN A 459 2.916 2.334 -15.155 1.00 0.00 C ATOM 162 CG GLN A 459 3.200 3.300 -16.294 1.00 0.00 C ATOM 163 CD GLN A 459 4.663 3.687 -16.381 1.00 0.00 C ATOM 164 OE1 GLN A 459 5.280 4.056 -15.382 1.00 0.00 O ATOM 165 NE2 GLN A 459 5.227 3.604 -17.580 1.00 0.00 N ATOM 0 H GLN A 459 1.431 -0.157 -15.457 1.00 0.00 H new ATOM 0 HA GLN A 459 4.085 0.859 -16.192 1.00 0.00 H new ATOM 0 HB2 GLN A 459 1.862 2.401 -14.887 1.00 0.00 H new ATOM 0 HB3 GLN A 459 3.488 2.640 -14.279 1.00 0.00 H new ATOM 0 HG2 GLN A 459 2.892 2.846 -17.236 1.00 0.00 H new ATOM 0 HG3 GLN A 459 2.598 4.199 -16.162 1.00 0.00 H new ATOM 0 HE21 GLN A 459 4.678 3.293 -18.381 1.00 0.00 H new ATOM 0 HE22 GLN A 459 6.209 3.851 -17.700 1.00 0.00 H new ATOM 174 N THR A 460 4.960 -0.194 -14.138 1.00 0.00 N ATOM 175 CA THR A 460 5.492 -0.903 -12.981 1.00 0.00 C ATOM 176 C THR A 460 5.720 0.046 -11.811 1.00 0.00 C ATOM 177 O THR A 460 6.734 0.742 -11.750 1.00 0.00 O ATOM 178 CB THR A 460 6.817 -1.613 -13.317 1.00 0.00 C ATOM 179 OG1 THR A 460 6.706 -2.288 -14.575 1.00 0.00 O ATOM 180 CG2 THR A 460 7.187 -2.612 -12.231 1.00 0.00 C ATOM 0 H THR A 460 5.651 0.014 -14.859 1.00 0.00 H new ATOM 0 HA THR A 460 4.749 -1.650 -12.700 1.00 0.00 H new ATOM 0 HB THR A 460 7.602 -0.859 -13.377 1.00 0.00 H new ATOM 0 HG1 THR A 460 7.553 -2.735 -14.782 1.00 0.00 H new ATOM 0 HG21 THR A 460 8.126 -3.101 -12.491 1.00 0.00 H new ATOM 0 HG22 THR A 460 7.300 -2.091 -11.280 1.00 0.00 H new ATOM 0 HG23 THR A 460 6.400 -3.361 -12.143 1.00 0.00 H new ATOM 188 N THR A 461 4.770 0.070 -10.881 1.00 0.00 N ATOM 189 CA THR A 461 4.867 0.935 -9.712 1.00 0.00 C ATOM 190 C THR A 461 5.042 0.118 -8.436 1.00 0.00 C ATOM 191 O THR A 461 4.584 -1.021 -8.350 1.00 0.00 O ATOM 192 CB THR A 461 3.620 1.828 -9.568 1.00 0.00 C ATOM 193 OG1 THR A 461 3.774 2.708 -8.449 1.00 0.00 O ATOM 194 CG2 THR A 461 2.368 0.984 -9.388 1.00 0.00 C ATOM 0 H THR A 461 3.925 -0.500 -10.915 1.00 0.00 H new ATOM 0 HA THR A 461 5.743 1.567 -9.859 1.00 0.00 H new ATOM 0 HB THR A 461 3.514 2.416 -10.480 1.00 0.00 H new ATOM 0 HG1 THR A 461 2.978 3.273 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 461 1.501 1.636 -9.288 1.00 0.00 H new ATOM 0 HG22 THR A 461 2.238 0.337 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 461 2.467 0.373 -8.491 1.00 0.00 H new ATOM 202 N SER A 462 5.707 0.708 -7.448 1.00 0.00 N ATOM 203 CA SER A 462 5.945 0.033 -6.178 1.00 0.00 C ATOM 204 C SER A 462 5.074 0.628 -5.075 1.00 0.00 C ATOM 205 O SER A 462 5.501 1.522 -4.344 1.00 0.00 O ATOM 206 CB SER A 462 7.421 0.137 -5.789 1.00 0.00 C ATOM 207 OG SER A 462 7.877 1.476 -5.872 1.00 0.00 O ATOM 0 H SER A 462 6.090 1.652 -7.503 1.00 0.00 H new ATOM 0 HA SER A 462 5.682 -1.018 -6.299 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.560 -0.236 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 462 8.019 -0.495 -6.445 1.00 0.00 H new ATOM 0 HG SER A 462 7.259 2.063 -5.387 1.00 0.00 H new ATOM 213 N LYS A 463 3.850 0.125 -4.961 1.00 0.00 N ATOM 214 CA LYS A 463 2.917 0.603 -3.948 1.00 0.00 C ATOM 215 C LYS A 463 2.038 -0.534 -3.437 1.00 0.00 C ATOM 216 O LYS A 463 1.578 -1.372 -4.213 1.00 0.00 O ATOM 217 CB LYS A 463 2.041 1.721 -4.518 1.00 0.00 C ATOM 218 CG LYS A 463 0.861 2.081 -3.633 1.00 0.00 C ATOM 219 CD LYS A 463 1.266 3.038 -2.525 1.00 0.00 C ATOM 220 CE LYS A 463 1.356 4.470 -3.030 1.00 0.00 C ATOM 221 NZ LYS A 463 2.054 5.358 -2.059 1.00 0.00 N ATOM 0 H LYS A 463 3.481 -0.615 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 463 3.497 0.994 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.654 2.609 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.671 1.417 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.076 2.535 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.442 1.174 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.542 2.983 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.229 2.735 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.885 4.486 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.353 4.853 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 2.095 6.325 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 1.535 5.363 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 3.020 5.007 -1.900 1.00 0.00 H new ATOM 235 N ILE A 464 1.809 -0.556 -2.128 1.00 0.00 N ATOM 236 CA ILE A 464 0.983 -1.589 -1.515 1.00 0.00 C ATOM 237 C ILE A 464 -0.224 -0.981 -0.809 1.00 0.00 C ATOM 238 O ILE A 464 -0.079 -0.242 0.166 1.00 0.00 O ATOM 239 CB ILE A 464 1.788 -2.426 -0.503 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.973 -3.102 -1.195 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.892 -3.463 0.158 1.00 0.00 C ATOM 242 CD1 ILE A 464 4.031 -3.598 -0.235 1.00 0.00 C ATOM 0 H ILE A 464 2.184 0.129 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 464 0.640 -2.238 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 464 2.174 -1.762 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.607 -3.942 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.427 -2.397 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.475 -4.047 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.078 -2.960 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.480 -4.126 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.840 -4.066 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.424 -2.759 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.592 -4.328 0.445 1.00 0.00 H new ATOM 254 N LEU A 465 -1.414 -1.298 -1.305 1.00 0.00 N ATOM 255 CA LEU A 465 -2.648 -0.784 -0.721 1.00 0.00 C ATOM 256 C LEU A 465 -3.429 -1.898 -0.031 1.00 0.00 C ATOM 257 O LEU A 465 -4.008 -2.763 -0.688 1.00 0.00 O ATOM 258 CB LEU A 465 -3.514 -0.133 -1.801 1.00 0.00 C ATOM 259 CG LEU A 465 -4.999 0.022 -1.467 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.206 1.143 -0.460 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.805 0.284 -2.731 1.00 0.00 C ATOM 0 H LEU A 465 -1.551 -1.909 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.383 -0.035 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.106 0.854 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.427 -0.723 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.350 -0.909 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.268 1.238 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.660 0.915 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.838 2.080 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.859 0.392 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.451 1.200 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.683 -0.552 -3.420 1.00 0.00 H new ATOM 273 N VAL A 466 -3.441 -1.870 1.298 1.00 0.00 N ATOM 274 CA VAL A 466 -4.153 -2.875 2.078 1.00 0.00 C ATOM 275 C VAL A 466 -5.564 -2.408 2.419 1.00 0.00 C ATOM 276 O VAL A 466 -5.747 -1.388 3.084 1.00 0.00 O ATOM 277 CB VAL A 466 -3.404 -3.208 3.382 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.972 -1.933 4.090 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.273 -4.065 4.291 1.00 0.00 C ATOM 0 H VAL A 466 -2.965 -1.162 1.857 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.210 -3.772 1.462 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.509 -3.777 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.444 -2.188 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.311 -1.361 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.851 -1.335 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.728 -4.291 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.187 -3.524 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.527 -4.994 3.781 1.00 0.00 H new ATOM 289 N ARG A 467 -6.558 -3.161 1.961 1.00 0.00 N ATOM 290 CA ARG A 467 -7.953 -2.824 2.217 1.00 0.00 C ATOM 291 C ARG A 467 -8.557 -3.763 3.257 1.00 0.00 C ATOM 292 O ARG A 467 -7.970 -4.790 3.595 1.00 0.00 O ATOM 293 CB ARG A 467 -8.763 -2.893 0.921 1.00 0.00 C ATOM 294 CG ARG A 467 -8.808 -1.578 0.160 1.00 0.00 C ATOM 295 CD ARG A 467 -9.479 -1.741 -1.195 1.00 0.00 C ATOM 296 NE ARG A 467 -9.094 -0.684 -2.126 1.00 0.00 N ATOM 297 CZ ARG A 467 -9.534 0.566 -2.042 1.00 0.00 C ATOM 298 NH1 ARG A 467 -10.370 0.914 -1.074 1.00 0.00 N ATOM 299 NH2 ARG A 467 -9.139 1.472 -2.928 1.00 0.00 N ATOM 0 H ARG A 467 -6.423 -4.009 1.410 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.989 -1.807 2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.336 -3.662 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.782 -3.203 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.347 -0.835 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.795 -1.201 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.213 -2.710 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.561 -1.735 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.452 -0.919 -2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.677 0.221 -0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -10.706 1.875 -1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -8.496 1.208 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -9.478 2.432 -2.862 1.00 0.00 H new ATOM 313 N ASN A 468 -9.732 -3.402 3.761 1.00 0.00 N ATOM 314 CA ASN A 468 -10.415 -4.211 4.764 1.00 0.00 C ATOM 315 C ASN A 468 -9.656 -4.193 6.087 1.00 0.00 C ATOM 316 O ASN A 468 -9.549 -5.215 6.766 1.00 0.00 O ATOM 317 CB ASN A 468 -10.567 -5.651 4.270 1.00 0.00 C ATOM 318 CG ASN A 468 -11.764 -6.351 4.886 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.904 -5.915 4.722 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.509 -7.441 5.599 1.00 0.00 N ATOM 0 H ASN A 468 -10.231 -2.554 3.491 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.404 -3.783 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.668 -5.651 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.662 -6.210 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.274 -7.954 6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.548 -7.766 5.708 1.00 0.00 H new ATOM 327 N ILE A 469 -9.131 -3.026 6.446 1.00 0.00 N ATOM 328 CA ILE A 469 -8.383 -2.875 7.688 1.00 0.00 C ATOM 329 C ILE A 469 -9.320 -2.637 8.867 1.00 0.00 C ATOM 330 O ILE A 469 -10.207 -1.785 8.825 1.00 0.00 O ATOM 331 CB ILE A 469 -7.378 -1.712 7.601 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.267 -2.042 6.602 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.792 -1.416 8.974 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.415 -0.849 6.229 1.00 0.00 C ATOM 0 H ILE A 469 -9.210 -2.172 5.894 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.836 -3.805 7.844 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.903 -0.823 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.628 -2.817 7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.714 -2.456 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -6.083 -0.592 8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.593 -1.143 9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.279 -2.302 9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.649 -1.157 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.042 -0.081 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.939 -0.448 7.124 1.00 0.00 H new ATOM 346 N PRO A 470 -9.117 -3.405 9.948 1.00 0.00 N ATOM 347 CA PRO A 470 -9.932 -3.294 11.162 1.00 0.00 C ATOM 348 C PRO A 470 -9.674 -1.994 11.916 1.00 0.00 C ATOM 349 O PRO A 470 -8.525 -1.617 12.149 1.00 0.00 O ATOM 350 CB PRO A 470 -9.487 -4.496 11.999 1.00 0.00 C ATOM 351 CG PRO A 470 -8.104 -4.792 11.530 1.00 0.00 C ATOM 352 CD PRO A 470 -8.077 -4.441 10.069 1.00 0.00 C ATOM 0 HA PRO A 470 -10.999 -3.285 10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.503 -4.265 13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -10.148 -5.350 11.848 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.370 -4.207 12.085 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.857 -5.842 11.683 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -7.100 -4.067 9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.297 -5.306 9.444 1.00 0.00 H new ATOM 360 N PHE A 471 -10.750 -1.314 12.298 1.00 0.00 N ATOM 361 CA PHE A 471 -10.639 -0.055 13.026 1.00 0.00 C ATOM 362 C PHE A 471 -9.479 -0.099 14.016 1.00 0.00 C ATOM 363 O PHE A 471 -8.679 0.832 14.091 1.00 0.00 O ATOM 364 CB PHE A 471 -11.944 0.246 13.766 1.00 0.00 C ATOM 365 CG PHE A 471 -11.770 1.174 14.934 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.471 2.512 14.734 1.00 0.00 C ATOM 367 CD2 PHE A 471 -11.907 0.709 16.232 1.00 0.00 C ATOM 368 CE1 PHE A 471 -11.309 3.368 15.807 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.747 1.561 17.309 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.449 2.892 17.096 1.00 0.00 C ATOM 0 H PHE A 471 -11.708 -1.613 12.116 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.447 0.738 12.303 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.656 0.684 13.067 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.377 -0.690 14.117 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -11.363 2.890 13.728 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -12.141 -0.331 16.404 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -11.073 4.408 15.638 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -11.855 1.186 18.316 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.326 3.560 17.936 1.00 0.00 H new ATOM 380 N GLN A 472 -9.396 -1.189 14.773 1.00 0.00 N ATOM 381 CA GLN A 472 -8.334 -1.354 15.759 1.00 0.00 C ATOM 382 C GLN A 472 -6.969 -1.073 15.141 1.00 0.00 C ATOM 383 O GLN A 472 -6.159 -0.340 15.708 1.00 0.00 O ATOM 384 CB GLN A 472 -8.364 -2.770 16.338 1.00 0.00 C ATOM 385 CG GLN A 472 -9.577 -3.045 17.212 1.00 0.00 C ATOM 386 CD GLN A 472 -9.489 -2.363 18.563 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.617 -2.676 19.374 1.00 0.00 O ATOM 388 NE2 GLN A 472 -10.394 -1.423 18.812 1.00 0.00 N ATOM 0 H GLN A 472 -10.050 -1.970 14.722 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.503 -0.637 16.562 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.347 -3.489 15.519 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.460 -2.933 16.924 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -10.476 -2.707 16.696 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -9.679 -4.120 17.358 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -11.099 -1.195 18.111 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -10.384 -0.929 19.704 1.00 0.00 H new ATOM 397 N ALA A 473 -6.720 -1.661 13.975 1.00 0.00 N ATOM 398 CA ALA A 473 -5.453 -1.473 13.280 1.00 0.00 C ATOM 399 C ALA A 473 -5.088 0.006 13.195 1.00 0.00 C ATOM 400 O ALA A 473 -5.944 0.853 12.947 1.00 0.00 O ATOM 401 CB ALA A 473 -5.519 -2.082 11.887 1.00 0.00 C ATOM 0 H ALA A 473 -7.379 -2.271 13.492 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.675 -1.981 13.850 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.566 -1.934 11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.726 -3.149 11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.312 -1.600 11.316 1.00 0.00 H new ATOM 407 N ASN A 474 -3.810 0.308 13.404 1.00 0.00 N ATOM 408 CA ASN A 474 -3.332 1.685 13.353 1.00 0.00 C ATOM 409 C ASN A 474 -2.107 1.802 12.452 1.00 0.00 C ATOM 410 O ASN A 474 -1.471 0.802 12.121 1.00 0.00 O ATOM 411 CB ASN A 474 -2.994 2.182 14.760 1.00 0.00 C ATOM 412 CG ASN A 474 -4.192 2.793 15.461 1.00 0.00 C ATOM 413 OD1 ASN A 474 -5.286 2.857 14.902 1.00 0.00 O ATOM 414 ND2 ASN A 474 -3.988 3.246 16.693 1.00 0.00 N ATOM 0 H ASN A 474 -3.088 -0.382 13.610 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.127 2.304 12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.614 1.351 15.354 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.196 2.922 14.699 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.756 3.668 17.215 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.063 3.172 17.117 1.00 0.00 H new ATOM 421 N GLN A 475 -1.783 3.030 12.059 1.00 0.00 N ATOM 422 CA GLN A 475 -0.634 3.277 11.196 1.00 0.00 C ATOM 423 C GLN A 475 0.597 2.532 11.701 1.00 0.00 C ATOM 424 O GLN A 475 1.413 2.055 10.912 1.00 0.00 O ATOM 425 CB GLN A 475 -0.341 4.777 11.119 1.00 0.00 C ATOM 426 CG GLN A 475 0.949 5.108 10.388 1.00 0.00 C ATOM 427 CD GLN A 475 1.300 6.581 10.459 1.00 0.00 C ATOM 428 OE1 GLN A 475 0.604 7.424 9.893 1.00 0.00 O ATOM 429 NE2 GLN A 475 2.384 6.899 11.157 1.00 0.00 N ATOM 0 H GLN A 475 -2.300 3.869 12.324 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.875 2.909 10.199 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.171 5.276 10.618 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.290 5.181 12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.764 4.523 10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.857 4.811 9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.932 6.167 11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.669 7.875 11.240 1.00 0.00 H new ATOM 438 N ARG A 476 0.724 2.436 13.021 1.00 0.00 N ATOM 439 CA ARG A 476 1.856 1.750 13.631 1.00 0.00 C ATOM 440 C ARG A 476 1.823 0.257 13.313 1.00 0.00 C ATOM 441 O ARG A 476 2.802 -0.303 12.821 1.00 0.00 O ATOM 442 CB ARG A 476 1.851 1.960 15.146 1.00 0.00 C ATOM 443 CG ARG A 476 2.505 3.260 15.583 1.00 0.00 C ATOM 444 CD ARG A 476 1.502 4.402 15.625 1.00 0.00 C ATOM 445 NE ARG A 476 1.882 5.430 16.590 1.00 0.00 N ATOM 446 CZ ARG A 476 2.726 6.418 16.317 1.00 0.00 C ATOM 447 NH1 ARG A 476 3.275 6.513 15.114 1.00 0.00 N ATOM 448 NH2 ARG A 476 3.023 7.315 17.249 1.00 0.00 N ATOM 0 H ARG A 476 0.057 2.825 13.688 1.00 0.00 H new ATOM 0 HA ARG A 476 2.771 2.172 13.216 1.00 0.00 H new ATOM 0 HB2 ARG A 476 0.821 1.943 15.503 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.367 1.126 15.622 1.00 0.00 H new ATOM 0 HG2 ARG A 476 2.952 3.130 16.569 1.00 0.00 H new ATOM 0 HG3 ARG A 476 3.314 3.510 14.897 1.00 0.00 H new ATOM 0 HD2 ARG A 476 1.419 4.848 14.634 1.00 0.00 H new ATOM 0 HD3 ARG A 476 0.518 4.010 15.881 1.00 0.00 H new ATOM 0 HE ARG A 476 1.477 5.387 17.525 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.049 5.826 14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 476 3.923 7.273 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 476 2.603 7.246 18.176 1.00 0.00 H new ATOM 0 HH22 ARG A 476 3.671 8.074 17.038 1.00 0.00 H new ATOM 462 N GLU A 477 0.692 -0.379 13.600 1.00 0.00 N ATOM 463 CA GLU A 477 0.533 -1.806 13.346 1.00 0.00 C ATOM 464 C GLU A 477 0.976 -2.159 11.929 1.00 0.00 C ATOM 465 O GLU A 477 1.746 -3.097 11.724 1.00 0.00 O ATOM 466 CB GLU A 477 -0.924 -2.225 13.556 1.00 0.00 C ATOM 467 CG GLU A 477 -1.285 -2.459 15.013 1.00 0.00 C ATOM 468 CD GLU A 477 -0.388 -3.482 15.680 1.00 0.00 C ATOM 469 OE1 GLU A 477 0.166 -4.342 14.965 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.239 -3.422 16.919 1.00 0.00 O ATOM 0 H GLU A 477 -0.127 0.071 14.008 1.00 0.00 H new ATOM 0 HA GLU A 477 1.164 -2.347 14.051 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.578 -1.454 13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.116 -3.138 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.220 -1.516 15.555 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.321 -2.793 15.078 1.00 0.00 H new ATOM 477 N ILE A 478 0.483 -1.400 10.955 1.00 0.00 N ATOM 478 CA ILE A 478 0.828 -1.632 9.558 1.00 0.00 C ATOM 479 C ILE A 478 2.314 -1.396 9.312 1.00 0.00 C ATOM 480 O ILE A 478 2.987 -2.211 8.681 1.00 0.00 O ATOM 481 CB ILE A 478 0.013 -0.724 8.619 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.481 -1.034 8.743 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.477 -0.896 7.180 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.790 -2.514 8.779 1.00 0.00 C ATOM 0 H ILE A 478 -0.156 -0.620 11.108 1.00 0.00 H new ATOM 0 HA ILE A 478 0.588 -2.673 9.342 1.00 0.00 H new ATOM 0 HB ILE A 478 0.175 0.314 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.866 -0.568 9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.009 -0.581 7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.109 -0.247 6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.531 -0.630 7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.341 -1.934 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.867 -2.659 8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.435 -2.982 7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.291 -2.969 9.634 1.00 0.00 H new ATOM 496 N ARG A 479 2.821 -0.275 9.816 1.00 0.00 N ATOM 497 CA ARG A 479 4.228 0.069 9.652 1.00 0.00 C ATOM 498 C ARG A 479 5.117 -1.144 9.908 1.00 0.00 C ATOM 499 O ARG A 479 5.853 -1.583 9.025 1.00 0.00 O ATOM 500 CB ARG A 479 4.611 1.206 10.601 1.00 0.00 C ATOM 501 CG ARG A 479 5.757 2.065 10.091 1.00 0.00 C ATOM 502 CD ARG A 479 5.754 3.440 10.740 1.00 0.00 C ATOM 503 NE ARG A 479 6.480 3.449 12.007 1.00 0.00 N ATOM 504 CZ ARG A 479 7.796 3.296 12.101 1.00 0.00 C ATOM 505 NH1 ARG A 479 8.526 3.123 11.008 1.00 0.00 N ATOM 506 NH2 ARG A 479 8.384 3.315 13.291 1.00 0.00 N ATOM 0 H ARG A 479 2.278 0.410 10.341 1.00 0.00 H new ATOM 0 HA ARG A 479 4.379 0.398 8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.739 1.839 10.766 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.887 0.784 11.567 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.705 1.567 10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.679 2.172 9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.204 4.163 10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 479 4.725 3.759 10.909 1.00 0.00 H new ATOM 0 HE ARG A 479 5.947 3.580 12.867 1.00 0.00 H new ATOM 0 HH11 ARG A 479 8.077 3.107 10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 479 9.536 3.006 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 479 7.825 3.447 14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 479 9.395 3.197 13.362 1.00 0.00 H new ATOM 520 N GLU A 480 5.044 -1.680 11.122 1.00 0.00 N ATOM 521 CA GLU A 480 5.843 -2.841 11.494 1.00 0.00 C ATOM 522 C GLU A 480 5.409 -4.075 10.709 1.00 0.00 C ATOM 523 O GLU A 480 6.218 -4.957 10.418 1.00 0.00 O ATOM 524 CB GLU A 480 5.724 -3.111 12.996 1.00 0.00 C ATOM 525 CG GLU A 480 6.441 -2.084 13.857 1.00 0.00 C ATOM 526 CD GLU A 480 5.663 -0.789 13.989 1.00 0.00 C ATOM 527 OE1 GLU A 480 4.600 -0.798 14.644 1.00 0.00 O ATOM 528 OE2 GLU A 480 6.118 0.235 13.436 1.00 0.00 O ATOM 0 H GLU A 480 4.440 -1.329 11.865 1.00 0.00 H new ATOM 0 HA GLU A 480 6.884 -2.625 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.669 -3.131 13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.128 -4.100 13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 480 6.613 -2.503 14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 480 7.420 -1.873 13.426 1.00 0.00 H new ATOM 535 N LEU A 481 4.126 -4.131 10.368 1.00 0.00 N ATOM 536 CA LEU A 481 3.582 -5.257 9.617 1.00 0.00 C ATOM 537 C LEU A 481 4.306 -5.422 8.284 1.00 0.00 C ATOM 538 O LEU A 481 4.572 -6.541 7.845 1.00 0.00 O ATOM 539 CB LEU A 481 2.084 -5.058 9.376 1.00 0.00 C ATOM 540 CG LEU A 481 1.336 -6.252 8.782 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.167 -7.348 9.823 1.00 0.00 C ATOM 542 CD2 LEU A 481 -0.017 -5.817 8.238 1.00 0.00 C ATOM 0 H LEU A 481 3.443 -3.410 10.600 1.00 0.00 H new ATOM 0 HA LEU A 481 3.732 -6.162 10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.615 -4.796 10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.954 -4.205 8.710 1.00 0.00 H new ATOM 0 HG LEU A 481 1.926 -6.651 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.633 -8.189 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.148 -7.680 10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.600 -6.961 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.535 -6.680 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.614 -5.392 9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.128 -5.068 7.460 1.00 0.00 H new ATOM 554 N PHE A 482 4.623 -4.301 7.646 1.00 0.00 N ATOM 555 CA PHE A 482 5.317 -4.322 6.364 1.00 0.00 C ATOM 556 C PHE A 482 6.824 -4.176 6.558 1.00 0.00 C ATOM 557 O PHE A 482 7.606 -4.982 6.055 1.00 0.00 O ATOM 558 CB PHE A 482 4.798 -3.201 5.460 1.00 0.00 C ATOM 559 CG PHE A 482 3.509 -3.539 4.767 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.516 -4.185 3.541 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.292 -3.211 5.340 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.332 -4.496 2.900 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.104 -3.520 4.704 1.00 0.00 C ATOM 564 CZ PHE A 482 1.124 -4.164 3.483 1.00 0.00 C ATOM 0 H PHE A 482 4.411 -3.367 7.996 1.00 0.00 H new ATOM 0 HA PHE A 482 5.120 -5.283 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.655 -2.300 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.555 -2.970 4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.457 -4.448 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.270 -2.708 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.351 -4.998 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.162 -3.258 5.162 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.197 -4.408 2.985 1.00 0.00 H new ATOM 574 N SER A 483 7.222 -3.142 7.292 1.00 0.00 N ATOM 575 CA SER A 483 8.635 -2.888 7.550 1.00 0.00 C ATOM 576 C SER A 483 9.364 -4.180 7.907 1.00 0.00 C ATOM 577 O SER A 483 10.442 -4.463 7.384 1.00 0.00 O ATOM 578 CB SER A 483 8.793 -1.871 8.683 1.00 0.00 C ATOM 579 OG SER A 483 8.754 -2.507 9.948 1.00 0.00 O ATOM 0 H SER A 483 6.587 -2.467 7.718 1.00 0.00 H new ATOM 0 HA SER A 483 9.077 -2.481 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 483 9.737 -1.339 8.569 1.00 0.00 H new ATOM 0 HB3 SER A 483 7.999 -1.127 8.622 1.00 0.00 H new ATOM 0 HG SER A 483 8.859 -1.836 10.655 1.00 0.00 H new ATOM 585 N THR A 484 8.766 -4.961 8.801 1.00 0.00 N ATOM 586 CA THR A 484 9.357 -6.223 9.230 1.00 0.00 C ATOM 587 C THR A 484 10.030 -6.939 8.064 1.00 0.00 C ATOM 588 O THR A 484 11.050 -7.605 8.238 1.00 0.00 O ATOM 589 CB THR A 484 8.300 -7.156 9.849 1.00 0.00 C ATOM 590 OG1 THR A 484 8.912 -8.384 10.261 1.00 0.00 O ATOM 591 CG2 THR A 484 7.186 -7.448 8.855 1.00 0.00 C ATOM 0 H THR A 484 7.873 -4.742 9.242 1.00 0.00 H new ATOM 0 HA THR A 484 10.105 -5.982 9.985 1.00 0.00 H new ATOM 0 HB THR A 484 7.869 -6.655 10.716 1.00 0.00 H new ATOM 0 HG1 THR A 484 8.234 -8.971 10.655 1.00 0.00 H new ATOM 0 HG21 THR A 484 6.452 -8.109 9.315 1.00 0.00 H new ATOM 0 HG22 THR A 484 6.703 -6.515 8.565 1.00 0.00 H new ATOM 0 HG23 THR A 484 7.604 -7.930 7.971 1.00 0.00 H new ATOM 599 N PHE A 485 9.453 -6.796 6.875 1.00 0.00 N ATOM 600 CA PHE A 485 9.998 -7.430 5.680 1.00 0.00 C ATOM 601 C PHE A 485 11.199 -6.651 5.152 1.00 0.00 C ATOM 602 O PHE A 485 12.212 -7.236 4.769 1.00 0.00 O ATOM 603 CB PHE A 485 8.923 -7.530 4.596 1.00 0.00 C ATOM 604 CG PHE A 485 8.013 -8.713 4.761 1.00 0.00 C ATOM 605 CD1 PHE A 485 8.346 -9.942 4.214 1.00 0.00 C ATOM 606 CD2 PHE A 485 6.824 -8.596 5.463 1.00 0.00 C ATOM 607 CE1 PHE A 485 7.511 -11.033 4.365 1.00 0.00 C ATOM 608 CE2 PHE A 485 5.985 -9.684 5.617 1.00 0.00 C ATOM 609 CZ PHE A 485 6.328 -10.903 5.066 1.00 0.00 C ATOM 0 H PHE A 485 8.609 -6.247 6.714 1.00 0.00 H new ATOM 0 HA PHE A 485 10.328 -8.434 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.325 -6.618 4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.406 -7.587 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.269 -10.049 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 485 6.550 -7.645 5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 485 7.783 -11.986 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 485 5.062 -9.581 6.168 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.672 -11.753 5.183 1.00 0.00 H new ATOM 619 N GLY A 486 11.078 -5.327 5.133 1.00 0.00 N ATOM 620 CA GLY A 486 12.160 -4.490 4.649 1.00 0.00 C ATOM 621 C GLY A 486 11.979 -3.033 5.027 1.00 0.00 C ATOM 622 O GLY A 486 11.111 -2.698 5.832 1.00 0.00 O ATOM 0 H GLY A 486 10.250 -4.819 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.105 -4.853 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.224 -4.576 3.564 1.00 0.00 H new ATOM 626 N GLU A 487 12.802 -2.166 4.446 1.00 0.00 N ATOM 627 CA GLU A 487 12.730 -0.738 4.730 1.00 0.00 C ATOM 628 C GLU A 487 11.527 -0.105 4.036 1.00 0.00 C ATOM 629 O GLU A 487 11.265 -0.367 2.861 1.00 0.00 O ATOM 630 CB GLU A 487 14.016 -0.040 4.281 1.00 0.00 C ATOM 631 CG GLU A 487 14.311 1.241 5.043 1.00 0.00 C ATOM 632 CD GLU A 487 14.432 1.017 6.537 1.00 0.00 C ATOM 633 OE1 GLU A 487 13.385 0.951 7.215 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.575 0.907 7.029 1.00 0.00 O ATOM 0 H GLU A 487 13.526 -2.427 3.776 1.00 0.00 H new ATOM 0 HA GLU A 487 12.614 -0.614 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.854 -0.727 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.943 0.188 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 487 15.237 1.677 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.518 1.964 4.851 1.00 0.00 H new ATOM 641 N LEU A 488 10.798 0.727 4.770 1.00 0.00 N ATOM 642 CA LEU A 488 9.622 1.398 4.227 1.00 0.00 C ATOM 643 C LEU A 488 9.899 2.879 3.991 1.00 0.00 C ATOM 644 O LEU A 488 10.645 3.509 4.742 1.00 0.00 O ATOM 645 CB LEU A 488 8.433 1.234 5.176 1.00 0.00 C ATOM 646 CG LEU A 488 7.738 -0.127 5.153 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.600 -0.163 6.161 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.225 -0.440 3.755 1.00 0.00 C ATOM 0 H LEU A 488 11.000 0.954 5.744 1.00 0.00 H new ATOM 0 HA LEU A 488 9.381 0.936 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.776 1.427 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.695 2.000 4.938 1.00 0.00 H new ATOM 0 HG LEU A 488 8.466 -0.890 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.117 -1.140 6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.994 0.015 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.872 0.610 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.733 -1.413 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.513 0.326 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.061 -0.458 3.056 1.00 0.00 H new ATOM 660 N LYS A 489 9.293 3.430 2.946 1.00 0.00 N ATOM 661 CA LYS A 489 9.471 4.839 2.612 1.00 0.00 C ATOM 662 C LYS A 489 8.587 5.721 3.488 1.00 0.00 C ATOM 663 O LYS A 489 9.057 6.691 4.085 1.00 0.00 O ATOM 664 CB LYS A 489 9.146 5.079 1.136 1.00 0.00 C ATOM 665 CG LYS A 489 10.345 4.927 0.217 1.00 0.00 C ATOM 666 CD LYS A 489 10.184 5.748 -1.051 1.00 0.00 C ATOM 667 CE LYS A 489 11.521 5.988 -1.734 1.00 0.00 C ATOM 668 NZ LYS A 489 11.362 6.707 -3.028 1.00 0.00 N ATOM 0 H LYS A 489 8.673 2.922 2.314 1.00 0.00 H new ATOM 0 HA LYS A 489 10.513 5.102 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.370 4.380 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.736 6.082 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.248 5.239 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.474 3.876 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.512 5.232 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 489 9.721 6.705 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.167 6.567 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 489 12.017 5.033 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.296 6.851 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 10.766 6.143 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 10.912 7.630 -2.860 1.00 0.00 H new ATOM 682 N THR A 490 7.305 5.379 3.563 1.00 0.00 N ATOM 683 CA THR A 490 6.356 6.139 4.367 1.00 0.00 C ATOM 684 C THR A 490 4.995 5.455 4.405 1.00 0.00 C ATOM 685 O THR A 490 4.467 5.043 3.372 1.00 0.00 O ATOM 686 CB THR A 490 6.183 7.571 3.826 1.00 0.00 C ATOM 687 OG1 THR A 490 5.185 8.264 4.584 1.00 0.00 O ATOM 688 CG2 THR A 490 5.789 7.551 2.357 1.00 0.00 C ATOM 0 H THR A 490 6.899 4.580 3.076 1.00 0.00 H new ATOM 0 HA THR A 490 6.764 6.186 5.377 1.00 0.00 H new ATOM 0 HB THR A 490 7.137 8.090 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 490 5.082 9.174 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.673 8.573 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.565 7.049 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.847 7.016 2.240 1.00 0.00 H new ATOM 696 N VAL A 491 4.430 5.337 5.603 1.00 0.00 N ATOM 697 CA VAL A 491 3.129 4.703 5.775 1.00 0.00 C ATOM 698 C VAL A 491 2.021 5.745 5.886 1.00 0.00 C ATOM 699 O VAL A 491 2.094 6.658 6.709 1.00 0.00 O ATOM 700 CB VAL A 491 3.102 3.807 7.028 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.682 3.353 7.329 1.00 0.00 C ATOM 702 CG2 VAL A 491 4.026 2.612 6.846 1.00 0.00 C ATOM 0 H VAL A 491 4.853 5.672 6.468 1.00 0.00 H new ATOM 0 HA VAL A 491 2.958 4.086 4.893 1.00 0.00 H new ATOM 0 HB VAL A 491 3.459 4.388 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.683 2.721 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 491 1.051 4.224 7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.293 2.788 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.995 1.989 7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.700 2.028 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 491 5.045 2.962 6.682 1.00 0.00 H new ATOM 712 N ARG A 492 0.996 5.601 5.053 1.00 0.00 N ATOM 713 CA ARG A 492 -0.128 6.531 5.056 1.00 0.00 C ATOM 714 C ARG A 492 -1.415 5.826 5.476 1.00 0.00 C ATOM 715 O ARG A 492 -1.930 4.970 4.756 1.00 0.00 O ATOM 716 CB ARG A 492 -0.305 7.156 3.671 1.00 0.00 C ATOM 717 CG ARG A 492 0.929 7.890 3.173 1.00 0.00 C ATOM 718 CD ARG A 492 0.991 9.309 3.717 1.00 0.00 C ATOM 719 NE ARG A 492 1.505 9.349 5.083 1.00 0.00 N ATOM 720 CZ ARG A 492 1.634 10.468 5.787 1.00 0.00 C ATOM 721 NH1 ARG A 492 1.287 11.633 5.257 1.00 0.00 N ATOM 722 NH2 ARG A 492 2.110 10.424 7.025 1.00 0.00 N ATOM 0 H ARG A 492 0.920 4.850 4.367 1.00 0.00 H new ATOM 0 HA ARG A 492 0.087 7.319 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.564 6.373 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.144 7.851 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.824 7.345 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.923 7.917 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.626 9.917 3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.005 9.751 3.691 1.00 0.00 H new ATOM 0 HE ARG A 492 1.780 8.470 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.920 11.672 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.387 12.490 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 492 2.377 9.530 7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 492 2.209 11.284 7.564 1.00 0.00 H new ATOM 736 N LEU A 493 -1.928 6.191 6.646 1.00 0.00 N ATOM 737 CA LEU A 493 -3.154 5.594 7.163 1.00 0.00 C ATOM 738 C LEU A 493 -4.042 6.650 7.812 1.00 0.00 C ATOM 739 O LEU A 493 -3.569 7.564 8.488 1.00 0.00 O ATOM 740 CB LEU A 493 -2.823 4.497 8.176 1.00 0.00 C ATOM 741 CG LEU A 493 -2.660 3.086 7.609 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.210 2.826 7.233 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.148 2.049 8.610 1.00 0.00 C ATOM 0 H LEU A 493 -1.514 6.897 7.254 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.696 5.155 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -1.900 4.770 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.611 4.476 8.929 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.267 3.005 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.113 1.817 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.894 3.548 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.581 2.926 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.024 1.051 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.568 2.130 9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.202 2.222 8.829 1.00 0.00 H new ATOM 755 N PRO A 494 -5.362 6.523 7.605 1.00 0.00 N ATOM 756 CA PRO A 494 -6.344 7.457 8.164 1.00 0.00 C ATOM 757 C PRO A 494 -6.470 7.327 9.678 1.00 0.00 C ATOM 758 O PRO A 494 -6.239 6.258 10.242 1.00 0.00 O ATOM 759 CB PRO A 494 -7.651 7.046 7.482 1.00 0.00 C ATOM 760 CG PRO A 494 -7.458 5.613 7.123 1.00 0.00 C ATOM 761 CD PRO A 494 -5.995 5.459 6.810 1.00 0.00 C ATOM 0 HA PRO A 494 -6.064 8.496 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 494 -8.503 7.175 8.149 1.00 0.00 H new ATOM 0 HB3 PRO A 494 -7.844 7.653 6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 494 -7.752 4.961 7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 494 -8.072 5.339 6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 494 -5.625 4.473 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 494 -5.797 5.581 5.745 1.00 0.00 H new ATOM 769 N LYS A 495 -6.840 8.424 10.332 1.00 0.00 N ATOM 770 CA LYS A 495 -6.999 8.433 11.781 1.00 0.00 C ATOM 771 C LYS A 495 -8.417 8.839 12.170 1.00 0.00 C ATOM 772 O LYS A 495 -9.007 9.732 11.563 1.00 0.00 O ATOM 773 CB LYS A 495 -5.990 9.391 12.419 1.00 0.00 C ATOM 774 CG LYS A 495 -6.182 10.840 12.007 1.00 0.00 C ATOM 775 CD LYS A 495 -5.409 11.167 10.741 1.00 0.00 C ATOM 776 CE LYS A 495 -3.988 11.611 11.054 1.00 0.00 C ATOM 777 NZ LYS A 495 -3.157 11.722 9.824 1.00 0.00 N ATOM 0 H LYS A 495 -7.035 9.318 9.881 1.00 0.00 H new ATOM 0 HA LYS A 495 -6.815 7.423 12.148 1.00 0.00 H new ATOM 0 HB2 LYS A 495 -6.068 9.317 13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 495 -4.982 9.076 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 495 -7.242 11.036 11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 495 -5.854 11.495 12.814 1.00 0.00 H new ATOM 0 HD2 LYS A 495 -5.383 10.291 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 495 -5.925 11.955 10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 495 -4.013 12.574 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 495 -3.528 10.899 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 495 -2.196 12.027 10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 495 -3.112 10.797 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 495 -3.581 12.420 9.180 1.00 0.00 H new ATOM 791 N LYS A 496 -8.959 8.178 13.188 1.00 0.00 N ATOM 792 CA LYS A 496 -10.306 8.470 13.660 1.00 0.00 C ATOM 793 C LYS A 496 -10.362 9.840 14.330 1.00 0.00 C ATOM 794 O LYS A 496 -9.844 10.024 15.431 1.00 0.00 O ATOM 795 CB LYS A 496 -10.771 7.391 14.641 1.00 0.00 C ATOM 796 CG LYS A 496 -12.252 7.463 14.968 1.00 0.00 C ATOM 797 CD LYS A 496 -12.535 8.488 16.054 1.00 0.00 C ATOM 798 CE LYS A 496 -13.931 8.316 16.633 1.00 0.00 C ATOM 799 NZ LYS A 496 -14.227 9.334 17.678 1.00 0.00 N ATOM 0 H LYS A 496 -8.484 7.436 13.702 1.00 0.00 H new ATOM 0 HA LYS A 496 -10.972 8.479 12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 496 -10.548 6.410 14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 496 -10.199 7.481 15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 496 -12.812 7.720 14.069 1.00 0.00 H new ATOM 0 HG3 LYS A 496 -12.602 6.483 15.292 1.00 0.00 H new ATOM 0 HD2 LYS A 496 -11.796 8.391 16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 496 -12.431 9.492 15.644 1.00 0.00 H new ATOM 0 HE2 LYS A 496 -14.668 8.392 15.833 1.00 0.00 H new ATOM 0 HE3 LYS A 496 -14.026 7.318 17.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 496 -14.230 8.880 18.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 496 -13.499 10.076 17.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 496 -15.159 9.758 17.496 1.00 0.00 H new ATOM 813 N MET A 497 -10.996 10.796 13.660 1.00 0.00 N ATOM 814 CA MET A 497 -11.122 12.148 14.193 1.00 0.00 C ATOM 815 C MET A 497 -12.586 12.569 14.267 1.00 0.00 C ATOM 816 O MET A 497 -13.057 13.037 15.305 1.00 0.00 O ATOM 817 CB MET A 497 -10.338 13.136 13.327 1.00 0.00 C ATOM 818 CG MET A 497 -10.217 14.520 13.942 1.00 0.00 C ATOM 819 SD MET A 497 -8.811 14.662 15.062 1.00 0.00 S ATOM 820 CE MET A 497 -7.974 16.090 14.375 1.00 0.00 C ATOM 0 H MET A 497 -11.431 10.660 12.747 1.00 0.00 H new ATOM 0 HA MET A 497 -10.709 12.154 15.202 1.00 0.00 H new ATOM 0 HB2 MET A 497 -9.339 12.738 13.150 1.00 0.00 H new ATOM 0 HB3 MET A 497 -10.825 13.220 12.355 1.00 0.00 H new ATOM 0 HG2 MET A 497 -10.119 15.259 13.147 1.00 0.00 H new ATOM 0 HG3 MET A 497 -11.133 14.754 14.484 1.00 0.00 H new ATOM 0 HE1 MET A 497 -7.080 16.305 14.961 1.00 0.00 H new ATOM 0 HE2 MET A 497 -7.690 15.884 13.343 1.00 0.00 H new ATOM 0 HE3 MET A 497 -8.642 16.951 14.402 1.00 0.00 H new ATOM 830 N THR A 498 -13.303 12.400 13.160 1.00 0.00 N ATOM 831 CA THR A 498 -14.713 12.764 13.099 1.00 0.00 C ATOM 832 C THR A 498 -15.485 12.170 14.272 1.00 0.00 C ATOM 833 O THR A 498 -14.942 11.393 15.055 1.00 0.00 O ATOM 834 CB THR A 498 -15.358 12.293 11.783 1.00 0.00 C ATOM 835 OG1 THR A 498 -15.097 10.900 11.580 1.00 0.00 O ATOM 836 CG2 THR A 498 -14.825 13.092 10.602 1.00 0.00 C ATOM 0 H THR A 498 -12.930 12.013 12.293 1.00 0.00 H new ATOM 0 HA THR A 498 -14.761 13.852 13.149 1.00 0.00 H new ATOM 0 HB THR A 498 -16.434 12.454 11.854 1.00 0.00 H new ATOM 0 HG1 THR A 498 -15.512 10.608 10.742 1.00 0.00 H new ATOM 0 HG21 THR A 498 -15.295 12.741 9.683 1.00 0.00 H new ATOM 0 HG22 THR A 498 -15.052 14.148 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 498 -13.745 12.959 10.530 1.00 0.00 H new ATOM 844 N GLY A 499 -16.757 12.541 14.385 1.00 0.00 N ATOM 845 CA GLY A 499 -17.583 12.034 15.465 1.00 0.00 C ATOM 846 C GLY A 499 -17.380 10.551 15.704 1.00 0.00 C ATOM 847 O GLY A 499 -16.817 10.150 16.724 1.00 0.00 O ATOM 0 H GLY A 499 -17.230 13.183 13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -17.355 12.581 16.380 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -18.632 12.221 15.235 1.00 0.00 H new ATOM 851 N THR A 500 -17.840 9.733 14.763 1.00 0.00 N ATOM 852 CA THR A 500 -17.708 8.286 14.877 1.00 0.00 C ATOM 853 C THR A 500 -17.504 7.643 13.510 1.00 0.00 C ATOM 854 O THR A 500 -18.192 7.979 12.546 1.00 0.00 O ATOM 855 CB THR A 500 -18.946 7.660 15.546 1.00 0.00 C ATOM 856 OG1 THR A 500 -19.176 8.272 16.820 1.00 0.00 O ATOM 857 CG2 THR A 500 -18.766 6.160 15.723 1.00 0.00 C ATOM 0 H THR A 500 -18.308 10.048 13.913 1.00 0.00 H new ATOM 0 HA THR A 500 -16.833 8.097 15.499 1.00 0.00 H new ATOM 0 HB THR A 500 -19.807 7.832 14.900 1.00 0.00 H new ATOM 0 HG1 THR A 500 -19.966 7.870 17.238 1.00 0.00 H new ATOM 0 HG21 THR A 500 -19.653 5.741 16.197 1.00 0.00 H new ATOM 0 HG22 THR A 500 -18.621 5.694 14.749 1.00 0.00 H new ATOM 0 HG23 THR A 500 -17.895 5.970 16.350 1.00 0.00 H new ATOM 865 N GLY A 501 -16.555 6.716 13.433 1.00 0.00 N ATOM 866 CA GLY A 501 -16.278 6.040 12.179 1.00 0.00 C ATOM 867 C GLY A 501 -15.557 6.931 11.187 1.00 0.00 C ATOM 868 O GLY A 501 -16.188 7.604 10.373 1.00 0.00 O ATOM 0 H GLY A 501 -15.973 6.421 14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -15.673 5.154 12.373 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -17.215 5.697 11.740 1.00 0.00 H new ATOM 872 N ALA A 502 -14.229 6.936 11.255 1.00 0.00 N ATOM 873 CA ALA A 502 -13.422 7.751 10.356 1.00 0.00 C ATOM 874 C ALA A 502 -12.435 6.891 9.573 1.00 0.00 C ATOM 875 O ALA A 502 -12.522 6.788 8.349 1.00 0.00 O ATOM 876 CB ALA A 502 -12.682 8.826 11.139 1.00 0.00 C ATOM 0 H ALA A 502 -13.690 6.385 11.923 1.00 0.00 H new ATOM 0 HA ALA A 502 -14.091 8.232 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 502 -12.083 9.427 10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 502 -13.402 9.466 11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 502 -12.030 8.356 11.875 1.00 0.00 H new ATOM 882 N HIS A 503 -11.497 6.275 10.286 1.00 0.00 N ATOM 883 CA HIS A 503 -10.494 5.424 9.657 1.00 0.00 C ATOM 884 C HIS A 503 -11.155 4.330 8.824 1.00 0.00 C ATOM 885 O HIS A 503 -11.829 3.450 9.360 1.00 0.00 O ATOM 886 CB HIS A 503 -9.590 4.797 10.719 1.00 0.00 C ATOM 887 CG HIS A 503 -9.006 3.480 10.306 1.00 0.00 C ATOM 888 ND1 HIS A 503 -9.753 2.326 10.202 1.00 0.00 N ATOM 889 CD2 HIS A 503 -7.741 3.139 9.969 1.00 0.00 C ATOM 890 CE1 HIS A 503 -8.972 1.331 9.820 1.00 0.00 C ATOM 891 NE2 HIS A 503 -7.745 1.799 9.672 1.00 0.00 N ATOM 0 H HIS A 503 -11.411 6.350 11.300 1.00 0.00 H new ATOM 0 HA HIS A 503 -9.889 6.044 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -8.780 5.489 10.949 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -10.162 4.660 11.637 1.00 0.00 H new ATOM 0 HD1 HIS A 503 -10.753 2.252 10.391 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -6.886 3.799 9.939 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -9.283 0.310 9.657 1.00 0.00 H new ATOM 899 N ARG A 504 -10.958 4.393 7.511 1.00 0.00 N ATOM 900 CA ARG A 504 -11.537 3.409 6.604 1.00 0.00 C ATOM 901 C ARG A 504 -10.602 2.217 6.427 1.00 0.00 C ATOM 902 O ARG A 504 -9.399 2.317 6.666 1.00 0.00 O ATOM 903 CB ARG A 504 -11.829 4.047 5.245 1.00 0.00 C ATOM 904 CG ARG A 504 -13.045 4.959 5.249 1.00 0.00 C ATOM 905 CD ARG A 504 -14.332 4.171 5.441 1.00 0.00 C ATOM 906 NE ARG A 504 -14.549 3.208 4.364 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.600 2.397 4.305 1.00 0.00 C ATOM 908 NH1 ARG A 504 -16.524 2.433 5.255 1.00 0.00 N ATOM 909 NH2 ARG A 504 -15.727 1.548 3.294 1.00 0.00 N ATOM 0 H ARG A 504 -10.402 5.115 7.052 1.00 0.00 H new ATOM 0 HA ARG A 504 -12.471 3.055 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.957 4.619 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.979 3.258 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -12.946 5.696 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -13.091 5.510 4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -14.297 3.646 6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -15.176 4.860 5.487 1.00 0.00 H new ATOM 0 HE ARG A 504 -13.856 3.155 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -16.429 3.085 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -17.330 1.809 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.018 1.517 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -16.534 0.926 3.249 1.00 0.00 H new ATOM 923 N GLY A 505 -11.164 1.087 6.007 1.00 0.00 N ATOM 924 CA GLY A 505 -10.367 -0.109 5.807 1.00 0.00 C ATOM 925 C GLY A 505 -9.515 -0.034 4.555 1.00 0.00 C ATOM 926 O GLY A 505 -9.665 -0.849 3.644 1.00 0.00 O ATOM 0 H GLY A 505 -12.157 0.979 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.723 -0.262 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.026 -0.975 5.743 1.00 0.00 H new ATOM 930 N PHE A 506 -8.620 0.947 4.507 1.00 0.00 N ATOM 931 CA PHE A 506 -7.743 1.126 3.356 1.00 0.00 C ATOM 932 C PHE A 506 -6.500 1.924 3.739 1.00 0.00 C ATOM 933 O PHE A 506 -6.597 3.007 4.315 1.00 0.00 O ATOM 934 CB PHE A 506 -8.490 1.836 2.225 1.00 0.00 C ATOM 935 CG PHE A 506 -8.486 3.333 2.350 1.00 0.00 C ATOM 936 CD1 PHE A 506 -7.349 4.063 2.047 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.620 4.009 2.770 1.00 0.00 C ATOM 938 CE1 PHE A 506 -7.342 5.440 2.162 1.00 0.00 C ATOM 939 CE2 PHE A 506 -9.620 5.386 2.886 1.00 0.00 C ATOM 940 CZ PHE A 506 -8.480 6.103 2.581 1.00 0.00 C ATOM 0 H PHE A 506 -8.483 1.630 5.252 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.429 0.140 3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -8.039 1.558 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.521 1.484 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -6.458 3.550 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.515 3.453 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -6.448 5.998 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -10.511 5.901 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 506 -8.478 7.179 2.670 1.00 0.00 H new ATOM 950 N GLY A 507 -5.331 1.380 3.414 1.00 0.00 N ATOM 951 CA GLY A 507 -4.086 2.053 3.731 1.00 0.00 C ATOM 952 C GLY A 507 -3.065 1.941 2.616 1.00 0.00 C ATOM 953 O GLY A 507 -2.988 0.917 1.937 1.00 0.00 O ATOM 0 H GLY A 507 -5.225 0.485 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.287 3.106 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.670 1.628 4.644 1.00 0.00 H new ATOM 957 N PHE A 508 -2.281 2.997 2.425 1.00 0.00 N ATOM 958 CA PHE A 508 -1.262 3.013 1.382 1.00 0.00 C ATOM 959 C PHE A 508 0.136 2.909 1.986 1.00 0.00 C ATOM 960 O PHE A 508 0.476 3.633 2.922 1.00 0.00 O ATOM 961 CB PHE A 508 -1.376 4.291 0.549 1.00 0.00 C ATOM 962 CG PHE A 508 -2.468 4.240 -0.481 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.798 4.329 -0.104 1.00 0.00 C ATOM 964 CD2 PHE A 508 -2.165 4.103 -1.826 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.805 4.282 -1.049 1.00 0.00 C ATOM 966 CE2 PHE A 508 -3.167 4.055 -2.776 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.490 4.145 -2.387 1.00 0.00 C ATOM 0 H PHE A 508 -2.332 3.852 2.979 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.425 2.150 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.555 5.135 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.425 4.476 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -4.051 4.436 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -1.133 4.033 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.838 4.352 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.917 3.947 -3.821 1.00 0.00 H new ATOM 0 HZ PHE A 508 -5.276 4.108 -3.127 1.00 0.00 H new ATOM 977 N VAL A 509 0.943 2.003 1.443 1.00 0.00 N ATOM 978 CA VAL A 509 2.303 1.803 1.927 1.00 0.00 C ATOM 979 C VAL A 509 3.316 1.958 0.797 1.00 0.00 C ATOM 980 O VAL A 509 3.148 1.392 -0.283 1.00 0.00 O ATOM 981 CB VAL A 509 2.473 0.413 2.567 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.918 0.192 2.989 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.532 0.254 3.751 1.00 0.00 C ATOM 0 H VAL A 509 0.678 1.396 0.667 1.00 0.00 H new ATOM 0 HA VAL A 509 2.486 2.567 2.683 1.00 0.00 H new ATOM 0 HB VAL A 509 2.217 -0.344 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 509 4.019 -0.796 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.567 0.260 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.205 0.953 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.665 -0.734 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.754 1.017 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.501 0.365 3.414 1.00 0.00 H new ATOM 993 N ASP A 510 4.368 2.728 1.055 1.00 0.00 N ATOM 994 CA ASP A 510 5.410 2.956 0.060 1.00 0.00 C ATOM 995 C ASP A 510 6.719 2.299 0.485 1.00 0.00 C ATOM 996 O ASP A 510 7.137 2.410 1.637 1.00 0.00 O ATOM 997 CB ASP A 510 5.622 4.456 -0.152 1.00 0.00 C ATOM 998 CG ASP A 510 6.220 4.770 -1.509 1.00 0.00 C ATOM 999 OD1 ASP A 510 6.842 3.867 -2.107 1.00 0.00 O ATOM 1000 OD2 ASP A 510 6.065 5.918 -1.974 1.00 0.00 O ATOM 0 H ASP A 510 4.522 3.204 1.944 1.00 0.00 H new ATOM 0 HA ASP A 510 5.087 2.507 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 510 4.668 4.973 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.278 4.841 0.629 1.00 0.00 H new ATOM 1005 N PHE A 511 7.363 1.613 -0.454 1.00 0.00 N ATOM 1006 CA PHE A 511 8.624 0.936 -0.177 1.00 0.00 C ATOM 1007 C PHE A 511 9.789 1.664 -0.841 1.00 0.00 C ATOM 1008 O PHE A 511 9.593 2.481 -1.741 1.00 0.00 O ATOM 1009 CB PHE A 511 8.568 -0.513 -0.667 1.00 0.00 C ATOM 1010 CG PHE A 511 8.072 -1.478 0.371 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.738 -1.487 0.747 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.939 -2.377 0.972 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.279 -2.373 1.703 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.485 -3.266 1.928 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.153 -3.265 2.293 1.00 0.00 C ATOM 0 H PHE A 511 7.032 1.512 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 511 8.782 0.942 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 511 7.920 -0.568 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.564 -0.818 -0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.049 -0.794 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 511 9.982 -2.383 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.237 -2.368 1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.171 -3.961 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.796 -3.960 3.038 1.00 0.00 H new ATOM 1025 N ILE A 512 11.002 1.362 -0.389 1.00 0.00 N ATOM 1026 CA ILE A 512 12.199 1.987 -0.938 1.00 0.00 C ATOM 1027 C ILE A 512 12.410 1.585 -2.394 1.00 0.00 C ATOM 1028 O ILE A 512 12.734 2.419 -3.240 1.00 0.00 O ATOM 1029 CB ILE A 512 13.453 1.612 -0.126 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.237 1.920 1.357 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.669 2.357 -0.656 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.723 3.319 1.615 1.00 0.00 C ATOM 0 H ILE A 512 11.181 0.689 0.356 1.00 0.00 H new ATOM 0 HA ILE A 512 12.048 3.065 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 512 13.632 0.542 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.530 1.200 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.179 1.784 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.547 2.082 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.831 2.093 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.502 3.431 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.593 3.467 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.439 4.046 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.766 3.453 1.112 1.00 0.00 H new ATOM 1044 N THR A 513 12.224 0.300 -2.680 1.00 0.00 N ATOM 1045 CA THR A 513 12.393 -0.214 -4.033 1.00 0.00 C ATOM 1046 C THR A 513 11.349 -1.278 -4.352 1.00 0.00 C ATOM 1047 O THR A 513 10.790 -1.904 -3.451 1.00 0.00 O ATOM 1048 CB THR A 513 13.798 -0.814 -4.235 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.762 -1.810 -5.262 1.00 0.00 O ATOM 1050 CG2 THR A 513 14.314 -1.429 -2.943 1.00 0.00 C ATOM 0 H THR A 513 11.956 -0.404 -1.992 1.00 0.00 H new ATOM 0 HA THR A 513 12.265 0.631 -4.710 1.00 0.00 H new ATOM 0 HB THR A 513 14.473 -0.011 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.659 -2.185 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 513 15.307 -1.846 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 513 14.368 -0.662 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 513 13.637 -2.221 -2.621 1.00 0.00 H new ATOM 1058 N LYS A 514 11.089 -1.478 -5.639 1.00 0.00 N ATOM 1059 CA LYS A 514 10.113 -2.468 -6.079 1.00 0.00 C ATOM 1060 C LYS A 514 10.479 -3.858 -5.568 1.00 0.00 C ATOM 1061 O LYS A 514 9.605 -4.650 -5.219 1.00 0.00 O ATOM 1062 CB LYS A 514 10.022 -2.482 -7.606 1.00 0.00 C ATOM 1063 CG LYS A 514 9.602 -1.150 -8.203 1.00 0.00 C ATOM 1064 CD LYS A 514 10.196 -0.946 -9.587 1.00 0.00 C ATOM 1065 CE LYS A 514 10.143 0.514 -10.007 1.00 0.00 C ATOM 1066 NZ LYS A 514 8.744 0.983 -10.209 1.00 0.00 N ATOM 0 H LYS A 514 11.541 -0.967 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 514 9.143 -2.192 -5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 514 10.991 -2.765 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 514 9.310 -3.248 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 514 8.515 -1.104 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.920 -0.340 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 514 11.230 -1.290 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 514 9.652 -1.554 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 514 10.626 1.128 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 514 10.707 0.647 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 8.743 2.009 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 8.330 0.496 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 8.181 0.771 -9.361 1.00 0.00 H new ATOM 1080 N GLN A 515 11.776 -4.145 -5.525 1.00 0.00 N ATOM 1081 CA GLN A 515 12.257 -5.439 -5.056 1.00 0.00 C ATOM 1082 C GLN A 515 11.666 -5.776 -3.691 1.00 0.00 C ATOM 1083 O GLN A 515 11.164 -6.880 -3.477 1.00 0.00 O ATOM 1084 CB GLN A 515 13.785 -5.441 -4.978 1.00 0.00 C ATOM 1085 CG GLN A 515 14.462 -5.223 -6.321 1.00 0.00 C ATOM 1086 CD GLN A 515 14.672 -6.515 -7.086 1.00 0.00 C ATOM 1087 OE1 GLN A 515 13.842 -6.745 -8.097 1.00 0.00 O flip ATOM 1088 NE2 GLN A 515 15.569 -7.297 -6.772 1.00 0.00 N flip ATOM 0 H GLN A 515 12.512 -3.499 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 515 11.936 -6.199 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.106 -4.661 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 515 14.118 -6.392 -4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 515 13.858 -4.544 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.425 -4.738 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.184 -7.080 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 515 15.698 -8.163 -7.296 1.00 0.00 H new ATOM 1097 N ASP A 516 11.730 -4.820 -2.771 1.00 0.00 N ATOM 1098 CA ASP A 516 11.200 -5.015 -1.427 1.00 0.00 C ATOM 1099 C ASP A 516 9.676 -5.085 -1.448 1.00 0.00 C ATOM 1100 O ASP A 516 9.084 -6.068 -1.004 1.00 0.00 O ATOM 1101 CB ASP A 516 11.659 -3.884 -0.505 1.00 0.00 C ATOM 1102 CG ASP A 516 13.156 -3.905 -0.264 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.656 -4.914 0.275 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.827 -2.911 -0.614 1.00 0.00 O ATOM 0 H ASP A 516 12.144 -3.902 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 516 11.584 -5.962 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.378 -2.926 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.139 -3.964 0.450 1.00 0.00 H new ATOM 1109 N ALA A 517 9.048 -4.034 -1.965 1.00 0.00 N ATOM 1110 CA ALA A 517 7.594 -3.976 -2.044 1.00 0.00 C ATOM 1111 C ALA A 517 7.030 -5.228 -2.708 1.00 0.00 C ATOM 1112 O ALA A 517 5.893 -5.623 -2.448 1.00 0.00 O ATOM 1113 CB ALA A 517 7.156 -2.732 -2.803 1.00 0.00 C ATOM 0 H ALA A 517 9.524 -3.211 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 517 7.201 -3.926 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.068 -2.702 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.520 -1.844 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.566 -2.758 -3.812 1.00 0.00 H new ATOM 1119 N LYS A 518 7.832 -5.849 -3.567 1.00 0.00 N ATOM 1120 CA LYS A 518 7.414 -7.057 -4.268 1.00 0.00 C ATOM 1121 C LYS A 518 7.425 -8.261 -3.332 1.00 0.00 C ATOM 1122 O LYS A 518 6.395 -8.899 -3.112 1.00 0.00 O ATOM 1123 CB LYS A 518 8.330 -7.320 -5.465 1.00 0.00 C ATOM 1124 CG LYS A 518 7.863 -6.653 -6.747 1.00 0.00 C ATOM 1125 CD LYS A 518 8.319 -7.424 -7.975 1.00 0.00 C ATOM 1126 CE LYS A 518 9.726 -7.027 -8.391 1.00 0.00 C ATOM 1127 NZ LYS A 518 10.762 -7.816 -7.669 1.00 0.00 N ATOM 0 H LYS A 518 8.776 -5.535 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 518 6.395 -6.905 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.334 -6.968 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 518 8.399 -8.395 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 518 6.775 -6.580 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.250 -5.635 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 518 8.288 -8.493 -7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.629 -7.240 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 518 9.842 -7.173 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 518 9.876 -5.965 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 11.708 -7.492 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 10.647 -7.684 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 10.656 -8.824 -7.902 1.00 0.00 H new ATOM 1141 N LYS A 519 8.595 -8.566 -2.781 1.00 0.00 N ATOM 1142 CA LYS A 519 8.741 -9.691 -1.866 1.00 0.00 C ATOM 1143 C LYS A 519 7.774 -9.568 -0.693 1.00 0.00 C ATOM 1144 O LYS A 519 7.138 -10.543 -0.295 1.00 0.00 O ATOM 1145 CB LYS A 519 10.179 -9.772 -1.348 1.00 0.00 C ATOM 1146 CG LYS A 519 10.611 -8.548 -0.559 1.00 0.00 C ATOM 1147 CD LYS A 519 12.003 -8.723 0.024 1.00 0.00 C ATOM 1148 CE LYS A 519 11.952 -9.347 1.410 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.312 -9.515 1.993 1.00 0.00 N ATOM 0 H LYS A 519 9.457 -8.049 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 519 8.507 -10.604 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 519 10.280 -10.655 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.854 -9.906 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.595 -7.672 -1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.899 -8.363 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 519 12.599 -9.351 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.501 -7.755 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 519 11.350 -8.721 2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 519 11.459 -10.317 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 13.234 -9.943 2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 13.879 -10.133 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.773 -8.586 2.071 1.00 0.00 H new ATOM 1163 N ALA A 520 7.666 -8.361 -0.146 1.00 0.00 N ATOM 1164 CA ALA A 520 6.773 -8.110 0.979 1.00 0.00 C ATOM 1165 C ALA A 520 5.323 -8.397 0.604 1.00 0.00 C ATOM 1166 O ALA A 520 4.631 -9.150 1.289 1.00 0.00 O ATOM 1167 CB ALA A 520 6.922 -6.674 1.460 1.00 0.00 C ATOM 0 H ALA A 520 8.185 -7.543 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 520 7.051 -8.784 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 520 6.250 -6.500 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.951 -6.501 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.673 -5.991 0.648 1.00 0.00 H new ATOM 1173 N PHE A 521 4.868 -7.791 -0.488 1.00 0.00 N ATOM 1174 CA PHE A 521 3.499 -7.981 -0.954 1.00 0.00 C ATOM 1175 C PHE A 521 3.225 -9.452 -1.253 1.00 0.00 C ATOM 1176 O PHE A 521 2.137 -9.959 -0.982 1.00 0.00 O ATOM 1177 CB PHE A 521 3.242 -7.138 -2.204 1.00 0.00 C ATOM 1178 CG PHE A 521 1.894 -7.377 -2.821 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.638 -8.540 -3.530 1.00 0.00 C ATOM 1180 CD2 PHE A 521 0.882 -6.439 -2.692 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.398 -8.761 -4.100 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.360 -6.656 -3.259 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.602 -7.819 -3.963 1.00 0.00 C ATOM 0 H PHE A 521 5.427 -7.164 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 521 2.824 -7.658 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.333 -6.083 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.014 -7.353 -2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.416 -9.282 -3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.066 -5.528 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.212 -9.670 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -1.140 -5.917 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.572 -7.991 -4.406 1.00 0.00 H new ATOM 1193 N ASN A 522 4.221 -10.131 -1.813 1.00 0.00 N ATOM 1194 CA ASN A 522 4.087 -11.544 -2.150 1.00 0.00 C ATOM 1195 C ASN A 522 4.056 -12.403 -0.890 1.00 0.00 C ATOM 1196 O ASN A 522 3.465 -13.482 -0.877 1.00 0.00 O ATOM 1197 CB ASN A 522 5.241 -11.985 -3.054 1.00 0.00 C ATOM 1198 CG ASN A 522 5.014 -13.360 -3.651 1.00 0.00 C ATOM 1199 OD1 ASN A 522 4.297 -13.509 -4.640 1.00 0.00 O ATOM 1200 ND2 ASN A 522 5.626 -14.374 -3.050 1.00 0.00 N ATOM 0 H ASN A 522 5.129 -9.726 -2.043 1.00 0.00 H new ATOM 0 HA ASN A 522 3.145 -11.678 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.367 -11.259 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 522 6.168 -11.990 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 522 5.511 -15.323 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 522 6.211 -14.204 -2.232 1.00 0.00 H new ATOM 1207 N ALA A 523 4.696 -11.916 0.168 1.00 0.00 N ATOM 1208 CA ALA A 523 4.740 -12.638 1.433 1.00 0.00 C ATOM 1209 C ALA A 523 3.537 -12.292 2.304 1.00 0.00 C ATOM 1210 O ALA A 523 3.182 -13.040 3.216 1.00 0.00 O ATOM 1211 CB ALA A 523 6.034 -12.331 2.172 1.00 0.00 C ATOM 0 H ALA A 523 5.191 -11.024 0.174 1.00 0.00 H new ATOM 0 HA ALA A 523 4.704 -13.705 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 523 6.053 -12.877 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.883 -12.634 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 523 6.094 -11.261 2.371 1.00 0.00 H new ATOM 1217 N LEU A 524 2.914 -11.154 2.019 1.00 0.00 N ATOM 1218 CA LEU A 524 1.750 -10.707 2.777 1.00 0.00 C ATOM 1219 C LEU A 524 0.458 -11.061 2.049 1.00 0.00 C ATOM 1220 O LEU A 524 -0.392 -11.774 2.584 1.00 0.00 O ATOM 1221 CB LEU A 524 1.819 -9.198 3.013 1.00 0.00 C ATOM 1222 CG LEU A 524 2.857 -8.724 4.032 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.720 -7.230 4.279 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.716 -9.497 5.335 1.00 0.00 C ATOM 0 H LEU A 524 3.195 -10.523 1.268 1.00 0.00 H new ATOM 0 HA LEU A 524 1.755 -11.219 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 524 2.026 -8.711 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.837 -8.856 3.339 1.00 0.00 H new ATOM 0 HG LEU A 524 3.850 -8.914 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.467 -6.912 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.872 -6.691 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.723 -7.015 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.462 -9.147 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.719 -9.339 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.866 -10.560 5.146 1.00 0.00 H new ATOM 1236 N CYS A 525 0.317 -10.560 0.827 1.00 0.00 N ATOM 1237 CA CYS A 525 -0.872 -10.825 0.024 1.00 0.00 C ATOM 1238 C CYS A 525 -1.313 -12.277 0.169 1.00 0.00 C ATOM 1239 O CYS A 525 -2.493 -12.597 0.017 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.601 -10.505 -1.446 1.00 0.00 C ATOM 1241 SG CYS A 525 0.409 -11.740 -2.296 1.00 0.00 S ATOM 0 H CYS A 525 1.011 -9.968 0.370 1.00 0.00 H new ATOM 0 HA CYS A 525 -1.675 -10.183 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -1.553 -10.409 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.103 -9.537 -1.510 1.00 0.00 H new ATOM 0 HG CYS A 525 0.896 -11.226 -3.386 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.358 -13.154 0.461 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.648 -14.574 0.625 1.00 0.00 C ATOM 1249 C HIS A 526 -1.815 -14.783 1.585 1.00 0.00 C ATOM 1250 O HIS A 526 -2.849 -15.337 1.210 1.00 0.00 O ATOM 1251 CB HIS A 526 0.588 -15.313 1.138 1.00 0.00 C ATOM 1252 CG HIS A 526 0.650 -16.747 0.711 1.00 0.00 C ATOM 1253 ND1 HIS A 526 1.233 -17.736 1.474 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.195 -17.357 -0.409 1.00 0.00 C ATOM 1255 CE1 HIS A 526 1.136 -18.892 0.842 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.510 -18.690 -0.303 1.00 0.00 N ATOM 0 H HIS A 526 0.623 -12.906 0.589 1.00 0.00 H new ATOM 0 HA HIS A 526 -0.925 -14.977 -0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.481 -14.798 0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.603 -15.266 2.227 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.320 -16.884 -1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 526 1.506 -19.841 1.201 1.00 0.00 H new ATOM 0 HE2 HIS A 526 0.295 -19.407 -0.996 1.00 0.00 H new ATOM 1264 N SER A 527 -1.642 -14.338 2.826 1.00 0.00 N ATOM 1265 CA SER A 527 -2.679 -14.480 3.841 1.00 0.00 C ATOM 1266 C SER A 527 -2.324 -13.687 5.095 1.00 0.00 C ATOM 1267 O SER A 527 -1.410 -14.049 5.836 1.00 0.00 O ATOM 1268 CB SER A 527 -2.876 -15.955 4.195 1.00 0.00 C ATOM 1269 OG SER A 527 -4.190 -16.195 4.669 1.00 0.00 O ATOM 0 H SER A 527 -0.793 -13.876 3.152 1.00 0.00 H new ATOM 0 HA SER A 527 -3.609 -14.084 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.685 -16.572 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 527 -2.152 -16.250 4.955 1.00 0.00 H new ATOM 0 HG SER A 527 -4.291 -17.145 4.887 1.00 0.00 H new ATOM 1275 N THR A 528 -3.055 -12.601 5.327 1.00 0.00 N ATOM 1276 CA THR A 528 -2.818 -11.755 6.490 1.00 0.00 C ATOM 1277 C THR A 528 -4.026 -11.748 7.420 1.00 0.00 C ATOM 1278 O THR A 528 -5.137 -11.413 7.008 1.00 0.00 O ATOM 1279 CB THR A 528 -2.496 -10.307 6.075 1.00 0.00 C ATOM 1280 OG1 THR A 528 -3.155 -9.992 4.843 1.00 0.00 O ATOM 1281 CG2 THR A 528 -0.996 -10.111 5.917 1.00 0.00 C ATOM 0 H THR A 528 -3.816 -12.287 4.725 1.00 0.00 H new ATOM 0 HA THR A 528 -1.960 -12.174 7.016 1.00 0.00 H new ATOM 0 HB THR A 528 -2.854 -9.640 6.859 1.00 0.00 H new ATOM 0 HG1 THR A 528 -4.093 -10.273 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 528 -0.793 -9.081 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 528 -0.500 -10.323 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.619 -10.788 5.150 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.801 -12.118 8.677 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.872 -12.153 9.667 1.00 0.00 C ATOM 1291 C HIS A 529 -4.647 -11.101 10.748 1.00 0.00 C ATOM 1292 O HIS A 529 -3.614 -11.096 11.419 1.00 0.00 O ATOM 1293 CB HIS A 529 -4.964 -13.541 10.301 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.222 -14.636 9.311 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.699 -14.403 8.039 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -5.063 -15.976 9.413 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.825 -15.553 7.401 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -5.445 -16.524 8.213 1.00 0.00 N ATOM 0 H HIS A 529 -2.887 -12.398 9.034 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.810 -11.931 9.159 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.035 -13.752 10.830 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.761 -13.540 11.045 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -4.703 -16.514 10.277 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.178 -15.678 6.388 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -5.437 -17.518 7.986 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.619 -10.210 10.911 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.527 -9.151 11.911 1.00 0.00 C ATOM 1308 C LEU A 530 -6.878 -8.913 12.578 1.00 0.00 C ATOM 1309 O LEU A 530 -7.868 -8.618 11.909 1.00 0.00 O ATOM 1310 CB LEU A 530 -5.028 -7.857 11.267 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.443 -6.814 12.221 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -3.027 -7.193 12.623 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.467 -5.434 11.582 1.00 0.00 C ATOM 0 H LEU A 530 -6.480 -10.200 10.364 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.816 -9.467 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.268 -8.112 10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.857 -7.401 10.726 1.00 0.00 H new ATOM 0 HG LEU A 530 -5.058 -6.787 13.120 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.627 -6.439 13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -3.038 -8.162 13.122 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.399 -7.250 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -4.047 -4.705 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.876 -5.447 10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.495 -5.160 11.346 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.910 -9.042 13.900 1.00 0.00 N ATOM 1326 CA TYR A 531 -8.139 -8.841 14.657 1.00 0.00 C ATOM 1327 C TYR A 531 -9.281 -9.667 14.073 1.00 0.00 C ATOM 1328 O TYR A 531 -10.414 -9.198 13.973 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.520 -7.359 14.668 1.00 0.00 C ATOM 1330 CG TYR A 531 -7.483 -6.472 15.319 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -7.275 -6.506 16.692 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.711 -5.600 14.561 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -6.330 -5.696 17.292 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.763 -4.788 15.152 1.00 0.00 C ATOM 1335 CZ TYR A 531 -5.576 -4.839 16.517 1.00 0.00 C ATOM 1336 OH TYR A 531 -4.632 -4.032 17.110 1.00 0.00 O ATOM 0 H TYR A 531 -6.099 -9.285 14.469 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.963 -9.172 15.681 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.679 -7.026 13.642 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -9.468 -7.240 15.192 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.862 -7.177 17.301 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.855 -5.557 13.491 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -6.182 -5.733 18.361 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -5.171 -4.116 14.548 1.00 0.00 H new ATOM 0 HH TYR A 531 -4.188 -3.490 16.425 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.972 -10.902 13.688 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.982 -11.775 13.119 1.00 0.00 C ATOM 1348 C GLY A 532 -10.515 -11.261 11.797 1.00 0.00 C ATOM 1349 O GLY A 532 -11.701 -11.401 11.501 1.00 0.00 O ATOM 0 H GLY A 532 -8.041 -11.313 13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.559 -12.769 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.807 -11.879 13.824 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.636 -10.661 10.999 1.00 0.00 N ATOM 1354 CA ARG A 533 -10.026 -10.121 9.703 1.00 0.00 C ATOM 1355 C ARG A 533 -8.974 -10.438 8.644 1.00 0.00 C ATOM 1356 O ARG A 533 -7.773 -10.374 8.908 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.231 -8.608 9.797 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.358 -8.204 10.734 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.965 -6.869 10.331 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.968 -6.413 11.290 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.608 -5.254 11.187 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -13.352 -4.438 10.174 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.508 -4.908 12.099 1.00 0.00 N ATOM 0 H ARG A 533 -8.650 -10.537 11.228 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.965 -10.590 9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.304 -8.144 10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.439 -8.215 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.131 -8.973 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.979 -8.140 11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.176 -6.122 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.421 -6.961 9.345 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.189 -7.017 12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -12.661 -4.700 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -13.846 -3.549 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -14.709 -5.533 12.880 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -14.999 -4.018 12.019 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.433 -10.779 7.444 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.532 -11.107 6.346 1.00 0.00 C ATOM 1379 C ARG A 534 -8.278 -9.885 5.468 1.00 0.00 C ATOM 1380 O ARG A 534 -9.103 -9.532 4.624 1.00 0.00 O ATOM 1381 CB ARG A 534 -9.114 -12.243 5.502 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.361 -12.485 4.204 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.995 -13.103 4.460 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.515 -13.865 3.310 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.063 -15.005 2.904 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -8.104 -15.511 3.550 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -6.570 -15.640 1.849 1.00 0.00 N ATOM 0 H ARG A 534 -10.424 -10.835 7.208 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.582 -11.430 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.110 -13.160 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -10.155 -12.016 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.945 -13.143 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.241 -11.542 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.280 -12.316 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.050 -13.757 5.331 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.716 -13.502 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.486 -15.025 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -8.523 -16.386 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.770 -15.253 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -6.991 -16.515 1.538 1.00 0.00 H new ATOM 1401 N LEU A 535 -7.133 -9.244 5.672 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.770 -8.061 4.899 1.00 0.00 C ATOM 1403 C LEU A 535 -6.598 -8.406 3.423 1.00 0.00 C ATOM 1404 O LEU A 535 -6.166 -9.506 3.079 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.480 -7.447 5.445 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.550 -6.895 6.869 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.158 -6.552 7.378 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.456 -5.674 6.924 1.00 0.00 C ATOM 0 H LEU A 535 -6.440 -9.523 6.366 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.578 -7.335 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.697 -8.204 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.175 -6.640 4.779 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.971 -7.664 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.228 -6.161 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.539 -7.449 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.708 -5.800 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.494 -5.295 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.064 -4.900 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.460 -5.951 6.603 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.936 -7.458 2.555 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.816 -7.661 1.117 1.00 0.00 C ATOM 1422 C VAL A 536 -5.785 -6.713 0.513 1.00 0.00 C ATOM 1423 O VAL A 536 -5.980 -5.497 0.492 1.00 0.00 O ATOM 1424 CB VAL A 536 -8.166 -7.453 0.406 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.999 -7.564 -1.102 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.193 -8.455 0.911 1.00 0.00 C ATOM 0 H VAL A 536 -7.295 -6.542 2.823 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.491 -8.691 0.969 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.526 -6.450 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.964 -7.414 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.297 -6.805 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.616 -8.553 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.141 -8.294 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.841 -9.468 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.334 -8.323 1.984 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.688 -7.277 0.021 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.625 -6.483 -0.585 1.00 0.00 C ATOM 1438 C LEU A 537 -3.848 -6.329 -2.086 1.00 0.00 C ATOM 1439 O LEU A 537 -4.135 -7.301 -2.783 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.264 -7.132 -0.324 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.620 -6.822 1.027 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.258 -7.656 2.127 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -0.119 -7.067 0.972 1.00 0.00 C ATOM 0 H LEU A 537 -4.511 -8.281 0.030 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.641 -5.492 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.377 -8.213 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.578 -6.819 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.788 -5.769 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.786 -7.421 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.323 -7.430 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -2.123 -8.715 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.322 -6.841 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.070 -8.111 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.327 -6.425 0.212 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.712 -5.101 -2.576 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.898 -4.820 -3.995 1.00 0.00 C ATOM 1457 C GLU A 538 -2.939 -3.731 -4.465 1.00 0.00 C ATOM 1458 O GLU A 538 -2.740 -2.727 -3.781 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.343 -4.396 -4.269 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.325 -5.555 -4.287 1.00 0.00 C ATOM 1461 CD GLU A 538 -6.275 -6.341 -5.583 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -6.485 -5.734 -6.653 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -6.025 -7.564 -5.526 1.00 0.00 O ATOM 0 H GLU A 538 -3.474 -4.285 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.683 -5.733 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.653 -3.680 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.386 -3.880 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.109 -6.223 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -7.335 -5.173 -4.136 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.346 -3.938 -5.635 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.406 -2.974 -6.196 1.00 0.00 C ATOM 1472 C TRP A 539 -2.125 -1.699 -6.624 1.00 0.00 C ATOM 1473 O TRP A 539 -2.875 -1.696 -7.600 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.670 -3.584 -7.390 1.00 0.00 C ATOM 1475 CG TRP A 539 0.224 -4.727 -7.015 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.068 -6.059 -7.100 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.555 -4.639 -6.493 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.000 -6.804 -6.664 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.009 -5.957 -6.287 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.407 -3.577 -6.183 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.276 -6.236 -5.783 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.665 -3.856 -5.683 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.090 -5.176 -5.488 1.00 0.00 C ATOM 0 H TRP A 539 -2.499 -4.764 -6.214 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.681 -2.719 -5.423 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.401 -3.929 -8.121 1.00 0.00 H new ATOM 0 HB3 TRP A 539 -0.075 -2.810 -7.875 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.002 -6.466 -7.458 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.036 -7.823 -6.627 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.089 -2.556 -6.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.605 -7.253 -5.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.332 -3.042 -5.439 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.080 -5.361 -5.097 1.00 0.00 H new ATOM 1494 N ALA A 540 -1.890 -0.617 -5.889 1.00 0.00 N ATOM 1495 CA ALA A 540 -2.514 0.664 -6.195 1.00 0.00 C ATOM 1496 C ALA A 540 -2.399 0.990 -7.680 1.00 0.00 C ATOM 1497 O ALA A 540 -1.301 1.021 -8.236 1.00 0.00 O ATOM 1498 CB ALA A 540 -1.884 1.770 -5.360 1.00 0.00 C ATOM 0 H ALA A 540 -1.272 -0.602 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 540 -3.573 0.593 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -2.359 2.722 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -2.022 1.550 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -0.819 1.831 -5.582 1.00 0.00 H new ATOM 1504 N ASP A 541 -3.540 1.231 -8.318 1.00 0.00 N ATOM 1505 CA ASP A 541 -3.568 1.554 -9.739 1.00 0.00 C ATOM 1506 C ASP A 541 -3.670 3.062 -9.952 1.00 0.00 C ATOM 1507 O ASP A 541 -4.767 3.618 -10.004 1.00 0.00 O ATOM 1508 CB ASP A 541 -4.741 0.850 -10.422 1.00 0.00 C ATOM 1509 CG ASP A 541 -6.065 1.139 -9.742 1.00 0.00 C ATOM 1510 OD1 ASP A 541 -6.715 2.140 -10.109 1.00 0.00 O ATOM 1511 OD2 ASP A 541 -6.451 0.363 -8.843 1.00 0.00 O ATOM 0 H ASP A 541 -4.457 1.209 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 541 -2.636 1.204 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -4.794 1.166 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -4.564 -0.226 -10.424 1.00 0.00 H new ATOM 1516 N SER A 542 -2.520 3.717 -10.072 1.00 0.00 N ATOM 1517 CA SER A 542 -2.480 5.160 -10.274 1.00 0.00 C ATOM 1518 C SER A 542 -2.948 5.526 -11.679 1.00 0.00 C ATOM 1519 O SER A 542 -2.359 5.097 -12.671 1.00 0.00 O ATOM 1520 CB SER A 542 -1.064 5.690 -10.042 1.00 0.00 C ATOM 1521 OG SER A 542 -0.841 5.966 -8.670 1.00 0.00 O ATOM 0 H SER A 542 -1.603 3.271 -10.033 1.00 0.00 H new ATOM 0 HA SER A 542 -3.156 5.621 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 542 -0.336 4.958 -10.392 1.00 0.00 H new ATOM 0 HB3 SER A 542 -0.911 6.596 -10.628 1.00 0.00 H new ATOM 0 HG SER A 542 0.072 6.302 -8.548 1.00 0.00 H new ATOM 1527 N GLU A 543 -4.011 6.321 -11.755 1.00 0.00 N ATOM 1528 CA GLU A 543 -4.558 6.743 -13.038 1.00 0.00 C ATOM 1529 C GLU A 543 -3.554 7.601 -13.803 1.00 0.00 C ATOM 1530 O GLU A 543 -2.877 8.451 -13.222 1.00 0.00 O ATOM 1531 CB GLU A 543 -5.858 7.523 -12.831 1.00 0.00 C ATOM 1532 CG GLU A 543 -6.628 7.775 -14.117 1.00 0.00 C ATOM 1533 CD GLU A 543 -6.895 6.502 -14.896 1.00 0.00 C ATOM 1534 OE1 GLU A 543 -7.022 5.434 -14.262 1.00 0.00 O ATOM 1535 OE2 GLU A 543 -6.979 6.575 -16.140 1.00 0.00 O ATOM 0 H GLU A 543 -4.510 6.685 -10.943 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.768 5.849 -13.626 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -6.495 6.974 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -5.627 8.480 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -7.576 8.257 -13.880 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -6.066 8.468 -14.743 1.00 0.00 H new ATOM 1542 N VAL A 544 -3.461 7.372 -15.109 1.00 0.00 N ATOM 1543 CA VAL A 544 -2.541 8.123 -15.954 1.00 0.00 C ATOM 1544 C VAL A 544 -3.017 9.558 -16.145 1.00 0.00 C ATOM 1545 O VAL A 544 -4.122 9.799 -16.632 1.00 0.00 O ATOM 1546 CB VAL A 544 -2.378 7.460 -17.334 1.00 0.00 C ATOM 1547 CG1 VAL A 544 -1.438 8.274 -18.210 1.00 0.00 C ATOM 1548 CG2 VAL A 544 -1.876 6.032 -17.183 1.00 0.00 C ATOM 0 H VAL A 544 -4.012 6.672 -15.605 1.00 0.00 H new ATOM 0 HA VAL A 544 -1.577 8.128 -15.445 1.00 0.00 H new ATOM 0 HB VAL A 544 -3.353 7.429 -17.820 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -1.335 7.790 -19.181 1.00 0.00 H new ATOM 0 HG12 VAL A 544 -1.844 9.277 -18.345 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -0.461 8.340 -17.732 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -1.767 5.579 -18.168 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -0.911 6.037 -16.677 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -2.591 5.455 -16.596 1.00 0.00 H new ATOM 1558 N THR A 545 -2.175 10.512 -15.758 1.00 0.00 N ATOM 1559 CA THR A 545 -2.509 11.925 -15.886 1.00 0.00 C ATOM 1560 C THR A 545 -1.439 12.674 -16.671 1.00 0.00 C ATOM 1561 O THR A 545 -0.262 12.657 -16.309 1.00 0.00 O ATOM 1562 CB THR A 545 -2.676 12.589 -14.506 1.00 0.00 C ATOM 1563 OG1 THR A 545 -1.534 12.315 -13.688 1.00 0.00 O ATOM 1564 CG2 THR A 545 -3.935 12.088 -13.814 1.00 0.00 C ATOM 0 H THR A 545 -1.256 10.331 -15.353 1.00 0.00 H new ATOM 0 HA THR A 545 -3.455 11.979 -16.425 1.00 0.00 H new ATOM 0 HB THR A 545 -2.765 13.665 -14.654 1.00 0.00 H new ATOM 0 HG1 THR A 545 -0.736 12.248 -14.253 1.00 0.00 H new ATOM 0 HG21 THR A 545 -4.032 12.570 -12.841 1.00 0.00 H new ATOM 0 HG22 THR A 545 -4.805 12.326 -14.426 1.00 0.00 H new ATOM 0 HG23 THR A 545 -3.871 11.008 -13.679 1.00 0.00 H new ATOM 1572 N VAL A 546 -1.854 13.332 -17.749 1.00 0.00 N ATOM 1573 CA VAL A 546 -0.931 14.089 -18.585 1.00 0.00 C ATOM 1574 C VAL A 546 -1.008 15.581 -18.278 1.00 0.00 C ATOM 1575 O VAL A 546 -2.087 16.116 -18.026 1.00 0.00 O ATOM 1576 CB VAL A 546 -1.220 13.869 -20.082 1.00 0.00 C ATOM 1577 CG1 VAL A 546 -1.054 12.402 -20.448 1.00 0.00 C ATOM 1578 CG2 VAL A 546 -2.616 14.360 -20.433 1.00 0.00 C ATOM 0 H VAL A 546 -2.824 13.356 -18.064 1.00 0.00 H new ATOM 0 HA VAL A 546 0.071 13.726 -18.359 1.00 0.00 H new ATOM 0 HB VAL A 546 -0.500 14.447 -20.662 1.00 0.00 H new ATOM 0 HG11 VAL A 546 -1.262 12.266 -21.509 1.00 0.00 H new ATOM 0 HG12 VAL A 546 -0.032 12.087 -20.235 1.00 0.00 H new ATOM 0 HG13 VAL A 546 -1.748 11.800 -19.862 1.00 0.00 H new ATOM 0 HG21 VAL A 546 -2.803 14.197 -21.494 1.00 0.00 H new ATOM 0 HG22 VAL A 546 -3.353 13.812 -19.846 1.00 0.00 H new ATOM 0 HG23 VAL A 546 -2.694 15.424 -20.210 1.00 0.00 H new ATOM 1588 N GLN A 547 0.143 16.245 -18.302 1.00 0.00 N ATOM 1589 CA GLN A 547 0.205 17.675 -18.026 1.00 0.00 C ATOM 1590 C GLN A 547 1.300 18.342 -18.852 1.00 0.00 C ATOM 1591 O GLN A 547 2.370 17.770 -19.059 1.00 0.00 O ATOM 1592 CB GLN A 547 0.454 17.918 -16.536 1.00 0.00 C ATOM 1593 CG GLN A 547 -0.796 17.783 -15.681 1.00 0.00 C ATOM 1594 CD GLN A 547 -0.708 18.574 -14.391 1.00 0.00 C ATOM 1595 OE1 GLN A 547 0.383 18.848 -13.890 1.00 0.00 O ATOM 1596 NE2 GLN A 547 -1.860 18.946 -13.845 1.00 0.00 N ATOM 0 H GLN A 547 1.045 15.816 -18.510 1.00 0.00 H new ATOM 0 HA GLN A 547 -0.753 18.115 -18.304 1.00 0.00 H new ATOM 0 HB2 GLN A 547 1.205 17.212 -16.182 1.00 0.00 H new ATOM 0 HB3 GLN A 547 0.869 18.917 -16.404 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -1.661 18.121 -16.252 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -0.960 16.731 -15.447 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -2.741 18.697 -14.294 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -1.864 19.481 -12.976 1.00 0.00 H new ATOM 1605 N SER A 548 1.025 19.555 -19.321 1.00 0.00 N ATOM 1606 CA SER A 548 1.985 20.298 -20.128 1.00 0.00 C ATOM 1607 C SER A 548 2.203 21.698 -19.561 1.00 0.00 C ATOM 1608 O SER A 548 1.259 22.474 -19.414 1.00 0.00 O ATOM 1609 CB SER A 548 1.502 20.391 -21.576 1.00 0.00 C ATOM 1610 OG SER A 548 2.442 21.079 -22.384 1.00 0.00 O ATOM 0 H SER A 548 0.145 20.044 -19.156 1.00 0.00 H new ATOM 0 HA SER A 548 2.934 19.763 -20.103 1.00 0.00 H new ATOM 0 HB2 SER A 548 1.340 19.389 -21.974 1.00 0.00 H new ATOM 0 HB3 SER A 548 0.542 20.906 -21.610 1.00 0.00 H new ATOM 0 HG SER A 548 2.111 21.124 -23.305 1.00 0.00 H new ATOM 1616 N GLY A 549 3.455 22.014 -19.244 1.00 0.00 N ATOM 1617 CA GLY A 549 3.775 23.319 -18.697 1.00 0.00 C ATOM 1618 C GLY A 549 4.745 24.091 -19.569 1.00 0.00 C ATOM 1619 O GLY A 549 5.671 23.528 -20.154 1.00 0.00 O ATOM 0 H GLY A 549 4.253 21.389 -19.356 1.00 0.00 H new ATOM 0 HA2 GLY A 549 2.857 23.896 -18.581 1.00 0.00 H new ATOM 0 HA3 GLY A 549 4.203 23.197 -17.702 1.00 0.00 H new ATOM 1623 N PRO A 550 4.536 25.413 -19.667 1.00 0.00 N ATOM 1624 CA PRO A 550 5.388 26.291 -20.473 1.00 0.00 C ATOM 1625 C PRO A 550 6.781 26.457 -19.875 1.00 0.00 C ATOM 1626 O PRO A 550 6.973 26.291 -18.670 1.00 0.00 O ATOM 1627 CB PRO A 550 4.637 27.625 -20.458 1.00 0.00 C ATOM 1628 CG PRO A 550 3.829 27.591 -19.207 1.00 0.00 C ATOM 1629 CD PRO A 550 3.451 26.151 -18.997 1.00 0.00 C ATOM 0 HA PRO A 550 5.555 25.891 -21.473 1.00 0.00 H new ATOM 0 HB2 PRO A 550 5.328 28.468 -20.460 1.00 0.00 H new ATOM 0 HB3 PRO A 550 4.001 27.731 -21.337 1.00 0.00 H new ATOM 0 HG2 PRO A 550 4.403 27.971 -18.362 1.00 0.00 H new ATOM 0 HG3 PRO A 550 2.942 28.218 -19.298 1.00 0.00 H new ATOM 0 HD2 PRO A 550 3.390 25.902 -17.938 1.00 0.00 H new ATOM 0 HD3 PRO A 550 2.479 25.922 -19.435 1.00 0.00 H new ATOM 1637 N SER A 551 7.749 26.786 -20.724 1.00 0.00 N ATOM 1638 CA SER A 551 9.126 26.971 -20.278 1.00 0.00 C ATOM 1639 C SER A 551 9.598 28.395 -20.552 1.00 0.00 C ATOM 1640 O SER A 551 9.413 28.922 -21.649 1.00 0.00 O ATOM 1641 CB SER A 551 10.049 25.971 -20.978 1.00 0.00 C ATOM 1642 OG SER A 551 9.608 24.640 -20.775 1.00 0.00 O ATOM 0 H SER A 551 7.606 26.930 -21.724 1.00 0.00 H new ATOM 0 HA SER A 551 9.161 26.796 -19.203 1.00 0.00 H new ATOM 0 HB2 SER A 551 10.082 26.188 -22.046 1.00 0.00 H new ATOM 0 HB3 SER A 551 11.065 26.082 -20.599 1.00 0.00 H new ATOM 0 HG SER A 551 10.214 24.021 -21.234 1.00 0.00 H new ATOM 1648 N SER A 552 10.210 29.012 -19.546 1.00 0.00 N ATOM 1649 CA SER A 552 10.706 30.377 -19.676 1.00 0.00 C ATOM 1650 C SER A 552 12.224 30.420 -19.527 1.00 0.00 C ATOM 1651 O SER A 552 12.770 31.299 -18.863 1.00 0.00 O ATOM 1652 CB SER A 552 10.055 31.281 -18.627 1.00 0.00 C ATOM 1653 OG SER A 552 10.258 30.774 -17.320 1.00 0.00 O ATOM 0 H SER A 552 10.374 28.589 -18.633 1.00 0.00 H new ATOM 0 HA SER A 552 10.445 30.739 -20.671 1.00 0.00 H new ATOM 0 HB2 SER A 552 10.472 32.286 -18.699 1.00 0.00 H new ATOM 0 HB3 SER A 552 8.987 31.364 -18.826 1.00 0.00 H new ATOM 0 HG SER A 552 9.834 31.370 -16.668 1.00 0.00 H new ATOM 1659 N GLY A 553 12.901 29.461 -20.153 1.00 0.00 N ATOM 1660 CA GLY A 553 14.349 29.406 -20.078 1.00 0.00 C ATOM 1661 C GLY A 553 14.899 28.052 -20.482 1.00 0.00 C ATOM 1662 O GLY A 553 14.460 27.467 -21.472 1.00 0.00 O ATOM 0 H GLY A 553 12.472 28.722 -20.710 1.00 0.00 H new ATOM 0 HA2 GLY A 553 14.773 30.175 -20.724 1.00 0.00 H new ATOM 0 HA3 GLY A 553 14.666 29.635 -19.061 1.00 0.00 H new TER 1666 GLY A 553