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 526 HIS :FLIP no HD1:sc= -0.109 F(o=-0.16,f=0.35) USER MOD Set 1.2: A 527 SER OG : rot 40:sc= 0.455 USER MOD Set 2.1: A 459 GLN : amide:sc= 1.07 K(o=2,f=1.3) USER MOD Set 2.2: A 545 THR OG1 : rot -142:sc= 0.982 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 180:sc= 0 USER MOD Single : A 452 SER OG : rot 31:sc= 1.1 USER MOD Single : A 454 GLN : amide:sc=-0.00163 X(o=-0.0016,f=0) USER MOD Single : A 457 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0186) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 52:sc= 0.695 USER MOD Single : A 463 LYS NZ :NH3+ -130:sc= -0.136 (180deg=-0.444) USER MOD Single : A 468 ASN : amide:sc= 0.697 K(o=0.7,f=-0.062) USER MOD Single : A 472 GLN : amide:sc= -0.121 K(o=-0.12,f=-2!) USER MOD Single : A 474 ASN : amide:sc= -0.266 K(o=-0.27,f=-0.87) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 483 SER OG : rot 180:sc= -1.02 USER MOD Single : A 484 THR OG1 : rot 96:sc= 1.23 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+ -164:sc= -0.0145 (180deg=-0.196) USER MOD Single : A 497 MET CE :methyl -168:sc= 0 (180deg=-0.13) USER MOD Single : A 498 THR OG1 : rot 180:sc=-0.00115 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-3.9!) USER MOD Single : A 513 THR OG1 : rot -84:sc= 0.346 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= -0.58 K(o=-0.58,f=-2.9!) USER MOD Single : A 518 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.147) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= -0.0517 K(o=-0.052,f=-0.69) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot 59:sc= 0.895 USER MOD Single : A 529 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-1.2) USER MOD Single : A 531 TYR OH : rot 127:sc= 0.0088 USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 547 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 548 SER OG : rot 180:sc= 0 USER MOD Single : A 551 SER OG : rot 88:sc= 0.12 USER MOD Single : A 552 SER OG : rot 180:sc= -0.0022 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 447 -2.334 -31.080 -24.316 1.00 0.00 N ATOM 2 CA GLY A 447 -2.544 -30.048 -25.316 1.00 0.00 C ATOM 3 C GLY A 447 -1.835 -28.754 -24.970 1.00 0.00 C ATOM 4 O GLY A 447 -1.083 -28.214 -25.782 1.00 0.00 O ATOM 0 HA2 GLY A 447 -2.190 -30.406 -26.283 1.00 0.00 H new ATOM 0 HA3 GLY A 447 -3.612 -29.857 -25.418 1.00 0.00 H new ATOM 8 N SER A 448 -2.076 -28.253 -23.763 1.00 0.00 N ATOM 9 CA SER A 448 -1.460 -27.010 -23.314 1.00 0.00 C ATOM 10 C SER A 448 -0.247 -27.293 -22.433 1.00 0.00 C ATOM 11 O SER A 448 -0.290 -28.155 -21.556 1.00 0.00 O ATOM 12 CB SER A 448 -2.475 -26.161 -22.546 1.00 0.00 C ATOM 13 OG SER A 448 -2.019 -24.827 -22.403 1.00 0.00 O ATOM 0 H SER A 448 -2.694 -28.689 -23.078 1.00 0.00 H new ATOM 0 HA SER A 448 -1.128 -26.459 -24.194 1.00 0.00 H new ATOM 0 HB2 SER A 448 -3.431 -26.168 -23.070 1.00 0.00 H new ATOM 0 HB3 SER A 448 -2.648 -26.597 -21.562 1.00 0.00 H new ATOM 0 HG SER A 448 -2.686 -24.304 -21.910 1.00 0.00 H new ATOM 19 N SER A 449 0.835 -26.559 -22.674 1.00 0.00 N ATOM 20 CA SER A 449 2.063 -26.732 -21.906 1.00 0.00 C ATOM 21 C SER A 449 2.006 -25.939 -20.604 1.00 0.00 C ATOM 22 O SER A 449 2.268 -26.472 -19.527 1.00 0.00 O ATOM 23 CB SER A 449 3.273 -26.292 -22.732 1.00 0.00 C ATOM 24 OG SER A 449 3.634 -27.285 -23.676 1.00 0.00 O ATOM 0 H SER A 449 0.886 -25.839 -23.395 1.00 0.00 H new ATOM 0 HA SER A 449 2.164 -27.790 -21.663 1.00 0.00 H new ATOM 0 HB2 SER A 449 3.045 -25.360 -23.249 1.00 0.00 H new ATOM 0 HB3 SER A 449 4.116 -26.091 -22.070 1.00 0.00 H new ATOM 0 HG SER A 449 4.409 -26.979 -24.192 1.00 0.00 H new ATOM 30 N GLY A 450 1.661 -24.659 -20.713 1.00 0.00 N ATOM 31 CA GLY A 450 1.576 -23.812 -19.538 1.00 0.00 C ATOM 32 C GLY A 450 0.762 -22.557 -19.785 1.00 0.00 C ATOM 33 O GLY A 450 -0.245 -22.593 -20.492 1.00 0.00 O ATOM 0 H GLY A 450 1.439 -24.194 -21.594 1.00 0.00 H new ATOM 0 HA2 GLY A 450 1.129 -24.376 -18.719 1.00 0.00 H new ATOM 0 HA3 GLY A 450 2.581 -23.533 -19.222 1.00 0.00 H new ATOM 37 N SER A 451 1.198 -21.446 -19.201 1.00 0.00 N ATOM 38 CA SER A 451 0.499 -20.176 -19.358 1.00 0.00 C ATOM 39 C SER A 451 1.447 -19.093 -19.866 1.00 0.00 C ATOM 40 O SER A 451 2.599 -19.011 -19.439 1.00 0.00 O ATOM 41 CB SER A 451 -0.121 -19.743 -18.028 1.00 0.00 C ATOM 42 OG SER A 451 0.871 -19.279 -17.129 1.00 0.00 O ATOM 0 H SER A 451 2.032 -21.399 -18.615 1.00 0.00 H new ATOM 0 HA SER A 451 -0.294 -20.315 -20.093 1.00 0.00 H new ATOM 0 HB2 SER A 451 -0.853 -18.955 -18.204 1.00 0.00 H new ATOM 0 HB3 SER A 451 -0.656 -20.582 -17.583 1.00 0.00 H new ATOM 0 HG SER A 451 0.448 -19.007 -16.288 1.00 0.00 H new ATOM 48 N SER A 452 0.953 -18.265 -20.780 1.00 0.00 N ATOM 49 CA SER A 452 1.756 -17.189 -21.350 1.00 0.00 C ATOM 50 C SER A 452 1.119 -15.831 -21.075 1.00 0.00 C ATOM 51 O SER A 452 0.252 -15.377 -21.821 1.00 0.00 O ATOM 52 CB SER A 452 1.922 -17.391 -22.857 1.00 0.00 C ATOM 53 OG SER A 452 0.675 -17.305 -23.524 1.00 0.00 O ATOM 0 H SER A 452 0.001 -18.318 -21.142 1.00 0.00 H new ATOM 0 HA SER A 452 2.738 -17.213 -20.877 1.00 0.00 H new ATOM 0 HB2 SER A 452 2.603 -16.639 -23.255 1.00 0.00 H new ATOM 0 HB3 SER A 452 2.374 -18.364 -23.049 1.00 0.00 H new ATOM 0 HG SER A 452 0.090 -16.683 -23.044 1.00 0.00 H new ATOM 59 N GLY A 453 1.555 -15.186 -19.997 1.00 0.00 N ATOM 60 CA GLY A 453 1.017 -13.886 -19.641 1.00 0.00 C ATOM 61 C GLY A 453 2.103 -12.865 -19.366 1.00 0.00 C ATOM 62 O GLY A 453 2.641 -12.806 -18.261 1.00 0.00 O ATOM 0 H GLY A 453 2.272 -15.541 -19.364 1.00 0.00 H new ATOM 0 HA2 GLY A 453 0.380 -13.526 -20.449 1.00 0.00 H new ATOM 0 HA3 GLY A 453 0.385 -13.987 -18.758 1.00 0.00 H new ATOM 66 N GLN A 454 2.425 -12.060 -20.373 1.00 0.00 N ATOM 67 CA GLN A 454 3.456 -11.038 -20.234 1.00 0.00 C ATOM 68 C GLN A 454 2.840 -9.689 -19.878 1.00 0.00 C ATOM 69 O GLN A 454 1.966 -9.188 -20.586 1.00 0.00 O ATOM 70 CB GLN A 454 4.263 -10.918 -21.528 1.00 0.00 C ATOM 71 CG GLN A 454 5.464 -11.847 -21.584 1.00 0.00 C ATOM 72 CD GLN A 454 6.576 -11.312 -22.465 1.00 0.00 C ATOM 73 OE1 GLN A 454 6.365 -11.022 -23.643 1.00 0.00 O ATOM 74 NE2 GLN A 454 7.769 -11.177 -21.897 1.00 0.00 N ATOM 0 H GLN A 454 1.987 -12.095 -21.294 1.00 0.00 H new ATOM 0 HA GLN A 454 4.123 -11.338 -19.425 1.00 0.00 H new ATOM 0 HB2 GLN A 454 3.610 -11.130 -22.375 1.00 0.00 H new ATOM 0 HB3 GLN A 454 4.605 -9.889 -21.639 1.00 0.00 H new ATOM 0 HG2 GLN A 454 5.847 -12.000 -20.575 1.00 0.00 H new ATOM 0 HG3 GLN A 454 5.148 -12.821 -21.956 1.00 0.00 H new ATOM 0 HE21 GLN A 454 7.899 -11.430 -20.917 1.00 0.00 H new ATOM 0 HE22 GLN A 454 8.555 -10.821 -22.440 1.00 0.00 H new ATOM 83 N VAL A 455 3.301 -9.105 -18.777 1.00 0.00 N ATOM 84 CA VAL A 455 2.796 -7.814 -18.327 1.00 0.00 C ATOM 85 C VAL A 455 3.824 -6.712 -18.556 1.00 0.00 C ATOM 86 O VAL A 455 4.561 -6.317 -17.652 1.00 0.00 O ATOM 87 CB VAL A 455 2.421 -7.847 -16.833 1.00 0.00 C ATOM 88 CG1 VAL A 455 1.839 -6.510 -16.399 1.00 0.00 C ATOM 89 CG2 VAL A 455 1.442 -8.978 -16.556 1.00 0.00 C ATOM 0 H VAL A 455 4.024 -9.506 -18.180 1.00 0.00 H new ATOM 0 HA VAL A 455 1.902 -7.602 -18.914 1.00 0.00 H new ATOM 0 HB VAL A 455 3.326 -8.028 -16.252 1.00 0.00 H new ATOM 0 HG11 VAL A 455 1.580 -6.552 -15.341 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.575 -5.723 -16.561 1.00 0.00 H new ATOM 0 HG13 VAL A 455 0.944 -6.296 -16.983 1.00 0.00 H new ATOM 0 HG21 VAL A 455 1.187 -8.987 -15.496 1.00 0.00 H new ATOM 0 HG22 VAL A 455 0.537 -8.829 -17.145 1.00 0.00 H new ATOM 0 HG23 VAL A 455 1.899 -9.930 -16.828 1.00 0.00 H new ATOM 99 N PRO A 456 3.877 -6.201 -19.796 1.00 0.00 N ATOM 100 CA PRO A 456 4.811 -5.136 -20.174 1.00 0.00 C ATOM 101 C PRO A 456 4.456 -3.799 -19.532 1.00 0.00 C ATOM 102 O PRO A 456 3.669 -3.025 -20.079 1.00 0.00 O ATOM 103 CB PRO A 456 4.661 -5.056 -21.695 1.00 0.00 C ATOM 104 CG PRO A 456 3.291 -5.574 -21.968 1.00 0.00 C ATOM 105 CD PRO A 456 3.030 -6.623 -20.923 1.00 0.00 C ATOM 0 HA PRO A 456 5.828 -5.349 -19.843 1.00 0.00 H new ATOM 0 HB2 PRO A 456 4.775 -4.032 -22.051 1.00 0.00 H new ATOM 0 HB3 PRO A 456 5.419 -5.655 -22.200 1.00 0.00 H new ATOM 0 HG2 PRO A 456 2.553 -4.774 -21.911 1.00 0.00 H new ATOM 0 HG3 PRO A 456 3.226 -5.997 -22.970 1.00 0.00 H new ATOM 0 HD2 PRO A 456 1.977 -6.658 -20.643 1.00 0.00 H new ATOM 0 HD3 PRO A 456 3.299 -7.618 -21.277 1.00 0.00 H new ATOM 113 N LYS A 457 5.040 -3.532 -18.369 1.00 0.00 N ATOM 114 CA LYS A 457 4.787 -2.287 -17.653 1.00 0.00 C ATOM 115 C LYS A 457 5.946 -1.312 -17.831 1.00 0.00 C ATOM 116 O LYS A 457 7.034 -1.518 -17.292 1.00 0.00 O ATOM 117 CB LYS A 457 4.566 -2.567 -16.165 1.00 0.00 C ATOM 118 CG LYS A 457 3.158 -3.031 -15.836 1.00 0.00 C ATOM 119 CD LYS A 457 3.137 -3.920 -14.603 1.00 0.00 C ATOM 120 CE LYS A 457 3.459 -3.132 -13.343 1.00 0.00 C ATOM 121 NZ LYS A 457 2.317 -2.279 -12.914 1.00 0.00 N ATOM 0 H LYS A 457 5.692 -4.162 -17.902 1.00 0.00 H new ATOM 0 HA LYS A 457 3.887 -1.834 -18.069 1.00 0.00 H new ATOM 0 HB2 LYS A 457 5.276 -3.327 -15.838 1.00 0.00 H new ATOM 0 HB3 LYS A 457 4.783 -1.662 -15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 457 2.518 -2.164 -15.672 1.00 0.00 H new ATOM 0 HG3 LYS A 457 2.746 -3.576 -16.685 1.00 0.00 H new ATOM 0 HD2 LYS A 457 2.155 -4.383 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 457 3.859 -4.728 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 457 3.718 -3.822 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 457 4.333 -2.506 -13.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 457 2.545 -1.824 -12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 457 2.140 -1.549 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 457 1.467 -2.868 -12.802 1.00 0.00 H new ATOM 135 N LYS A 458 5.706 -0.247 -18.589 1.00 0.00 N ATOM 136 CA LYS A 458 6.729 0.762 -18.837 1.00 0.00 C ATOM 137 C LYS A 458 7.032 1.552 -17.567 1.00 0.00 C ATOM 138 O LYS A 458 8.193 1.723 -17.196 1.00 0.00 O ATOM 139 CB LYS A 458 6.276 1.715 -19.946 1.00 0.00 C ATOM 140 CG LYS A 458 4.974 2.433 -19.638 1.00 0.00 C ATOM 141 CD LYS A 458 4.488 3.243 -20.828 1.00 0.00 C ATOM 142 CE LYS A 458 3.353 4.177 -20.440 1.00 0.00 C ATOM 143 NZ LYS A 458 2.711 4.795 -21.634 1.00 0.00 N ATOM 0 H LYS A 458 4.811 -0.060 -19.042 1.00 0.00 H new ATOM 0 HA LYS A 458 7.639 0.252 -19.153 1.00 0.00 H new ATOM 0 HB2 LYS A 458 7.057 2.455 -20.119 1.00 0.00 H new ATOM 0 HB3 LYS A 458 6.160 1.152 -20.872 1.00 0.00 H new ATOM 0 HG2 LYS A 458 4.213 1.704 -19.358 1.00 0.00 H new ATOM 0 HG3 LYS A 458 5.115 3.092 -18.781 1.00 0.00 H new ATOM 0 HD2 LYS A 458 5.315 3.824 -21.236 1.00 0.00 H new ATOM 0 HD3 LYS A 458 4.152 2.569 -21.616 1.00 0.00 H new ATOM 0 HE2 LYS A 458 2.606 3.624 -19.871 1.00 0.00 H new ATOM 0 HE3 LYS A 458 3.735 4.961 -19.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 1.942 5.425 -21.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 3.418 5.344 -22.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 2.324 4.048 -22.246 1.00 0.00 H new ATOM 157 N GLN A 459 5.982 2.028 -16.907 1.00 0.00 N ATOM 158 CA GLN A 459 6.138 2.798 -15.678 1.00 0.00 C ATOM 159 C GLN A 459 5.784 1.954 -14.458 1.00 0.00 C ATOM 160 O GLN A 459 4.733 2.140 -13.844 1.00 0.00 O ATOM 161 CB GLN A 459 5.258 4.049 -15.721 1.00 0.00 C ATOM 162 CG GLN A 459 5.740 5.098 -16.709 1.00 0.00 C ATOM 163 CD GLN A 459 5.377 6.508 -16.287 1.00 0.00 C ATOM 164 OE1 GLN A 459 5.735 6.953 -15.196 1.00 0.00 O ATOM 165 NE2 GLN A 459 4.662 7.220 -17.151 1.00 0.00 N ATOM 0 H GLN A 459 5.015 1.895 -17.202 1.00 0.00 H new ATOM 0 HA GLN A 459 7.182 3.099 -15.597 1.00 0.00 H new ATOM 0 HB2 GLN A 459 4.240 3.758 -15.980 1.00 0.00 H new ATOM 0 HB3 GLN A 459 5.219 4.490 -14.725 1.00 0.00 H new ATOM 0 HG2 GLN A 459 6.822 5.022 -16.815 1.00 0.00 H new ATOM 0 HG3 GLN A 459 5.309 4.894 -17.689 1.00 0.00 H new ATOM 0 HE21 GLN A 459 4.387 6.811 -18.044 1.00 0.00 H new ATOM 0 HE22 GLN A 459 4.388 8.175 -16.921 1.00 0.00 H new ATOM 174 N THR A 460 6.668 1.024 -14.111 1.00 0.00 N ATOM 175 CA THR A 460 6.449 0.150 -12.965 1.00 0.00 C ATOM 176 C THR A 460 6.264 0.958 -11.686 1.00 0.00 C ATOM 177 O THR A 460 6.925 1.976 -11.479 1.00 0.00 O ATOM 178 CB THR A 460 7.621 -0.831 -12.774 1.00 0.00 C ATOM 179 OG1 THR A 460 7.877 -1.532 -13.996 1.00 0.00 O ATOM 180 CG2 THR A 460 7.317 -1.827 -11.666 1.00 0.00 C ATOM 0 H THR A 460 7.543 0.857 -14.608 1.00 0.00 H new ATOM 0 HA THR A 460 5.541 -0.417 -13.169 1.00 0.00 H new ATOM 0 HB THR A 460 8.504 -0.258 -12.493 1.00 0.00 H new ATOM 0 HG1 THR A 460 8.625 -2.152 -13.867 1.00 0.00 H new ATOM 0 HG21 THR A 460 8.159 -2.510 -11.549 1.00 0.00 H new ATOM 0 HG22 THR A 460 7.151 -1.292 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 460 6.423 -2.395 -11.922 1.00 0.00 H new ATOM 188 N THR A 461 5.359 0.498 -10.827 1.00 0.00 N ATOM 189 CA THR A 461 5.086 1.177 -9.567 1.00 0.00 C ATOM 190 C THR A 461 5.126 0.202 -8.396 1.00 0.00 C ATOM 191 O THR A 461 4.796 -0.975 -8.544 1.00 0.00 O ATOM 192 CB THR A 461 3.714 1.877 -9.591 1.00 0.00 C ATOM 193 OG1 THR A 461 3.488 2.556 -8.351 1.00 0.00 O ATOM 194 CG2 THR A 461 2.599 0.872 -9.835 1.00 0.00 C ATOM 0 H THR A 461 4.803 -0.343 -10.982 1.00 0.00 H new ATOM 0 HA THR A 461 5.866 1.927 -9.438 1.00 0.00 H new ATOM 0 HB THR A 461 3.714 2.601 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 461 2.615 3.000 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 461 1.640 1.389 -9.848 1.00 0.00 H new ATOM 0 HG22 THR A 461 2.758 0.378 -10.794 1.00 0.00 H new ATOM 0 HG23 THR A 461 2.599 0.128 -9.039 1.00 0.00 H new ATOM 202 N SER A 462 5.531 0.698 -7.231 1.00 0.00 N ATOM 203 CA SER A 462 5.616 -0.131 -6.035 1.00 0.00 C ATOM 204 C SER A 462 4.823 0.487 -4.888 1.00 0.00 C ATOM 205 O SER A 462 5.369 1.220 -4.063 1.00 0.00 O ATOM 206 CB SER A 462 7.077 -0.314 -5.619 1.00 0.00 C ATOM 207 OG SER A 462 7.700 0.936 -5.380 1.00 0.00 O ATOM 0 H SER A 462 5.805 1.670 -7.090 1.00 0.00 H new ATOM 0 HA SER A 462 5.186 -1.106 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.128 -0.927 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.617 -0.849 -6.400 1.00 0.00 H new ATOM 0 HG SER A 462 7.156 1.458 -4.755 1.00 0.00 H new ATOM 213 N LYS A 463 3.529 0.186 -4.842 1.00 0.00 N ATOM 214 CA LYS A 463 2.658 0.709 -3.797 1.00 0.00 C ATOM 215 C LYS A 463 1.689 -0.363 -3.309 1.00 0.00 C ATOM 216 O LYS A 463 0.855 -0.851 -4.071 1.00 0.00 O ATOM 217 CB LYS A 463 1.878 1.920 -4.313 1.00 0.00 C ATOM 218 CG LYS A 463 0.726 2.331 -3.413 1.00 0.00 C ATOM 219 CD LYS A 463 0.232 3.729 -3.741 1.00 0.00 C ATOM 220 CE LYS A 463 1.183 4.794 -3.216 1.00 0.00 C ATOM 221 NZ LYS A 463 1.028 5.001 -1.749 1.00 0.00 N ATOM 0 H LYS A 463 3.061 -0.418 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 463 3.283 1.017 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.561 2.762 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.489 1.695 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -0.093 1.620 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 463 1.045 2.292 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.126 3.835 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -0.757 3.877 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 463 2.210 4.504 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.999 5.734 -3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.923 6.017 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.184 4.494 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 1.868 4.637 -1.256 1.00 0.00 H new ATOM 235 N ILE A 464 1.804 -0.723 -2.035 1.00 0.00 N ATOM 236 CA ILE A 464 0.936 -1.735 -1.446 1.00 0.00 C ATOM 237 C ILE A 464 -0.270 -1.096 -0.765 1.00 0.00 C ATOM 238 O ILE A 464 -0.137 -0.433 0.264 1.00 0.00 O ATOM 239 CB ILE A 464 1.693 -2.598 -0.420 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.777 -3.424 -1.116 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.726 -3.504 0.326 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.738 -4.091 -0.157 1.00 0.00 C ATOM 0 H ILE A 464 2.490 -0.329 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 464 0.595 -2.372 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 464 2.174 -1.939 0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.301 -4.188 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.339 -2.777 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.276 -4.108 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -0.012 -2.896 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.220 -4.158 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.479 -4.659 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.241 -3.331 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.188 -4.764 0.500 1.00 0.00 H new ATOM 254 N LEU A 465 -1.447 -1.301 -1.346 1.00 0.00 N ATOM 255 CA LEU A 465 -2.679 -0.747 -0.794 1.00 0.00 C ATOM 256 C LEU A 465 -3.483 -1.822 -0.070 1.00 0.00 C ATOM 257 O LEU A 465 -4.160 -2.635 -0.699 1.00 0.00 O ATOM 258 CB LEU A 465 -3.524 -0.125 -1.907 1.00 0.00 C ATOM 259 CG LEU A 465 -5.006 0.080 -1.590 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.189 1.237 -0.620 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.797 0.321 -2.867 1.00 0.00 C ATOM 0 H LEU A 465 -1.574 -1.846 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.411 0.026 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.092 0.841 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.446 -0.757 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.386 -0.826 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.250 1.368 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.656 1.023 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.793 2.150 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.849 0.465 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.416 1.211 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.693 -0.540 -3.527 1.00 0.00 H new ATOM 273 N VAL A 466 -3.405 -1.818 1.257 1.00 0.00 N ATOM 274 CA VAL A 466 -4.128 -2.790 2.068 1.00 0.00 C ATOM 275 C VAL A 466 -5.534 -2.298 2.393 1.00 0.00 C ATOM 276 O VAL A 466 -5.712 -1.196 2.911 1.00 0.00 O ATOM 277 CB VAL A 466 -3.384 -3.089 3.383 1.00 0.00 C ATOM 278 CG1 VAL A 466 -3.172 -1.810 4.179 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.146 -4.118 4.204 1.00 0.00 C ATOM 0 H VAL A 466 -2.848 -1.152 1.793 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.193 -3.706 1.480 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.406 -3.504 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.645 -2.041 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.581 -1.109 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -4.138 -1.363 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.606 -4.317 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.139 -3.734 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.240 -5.042 3.633 1.00 0.00 H new ATOM 289 N ARG A 467 -6.529 -3.123 2.086 1.00 0.00 N ATOM 290 CA ARG A 467 -7.920 -2.771 2.345 1.00 0.00 C ATOM 291 C ARG A 467 -8.536 -3.712 3.376 1.00 0.00 C ATOM 292 O ARG A 467 -7.974 -4.762 3.687 1.00 0.00 O ATOM 293 CB ARG A 467 -8.730 -2.819 1.048 1.00 0.00 C ATOM 294 CG ARG A 467 -8.746 -1.501 0.291 1.00 0.00 C ATOM 295 CD ARG A 467 -9.232 -1.686 -1.138 1.00 0.00 C ATOM 296 NE ARG A 467 -9.011 -0.492 -1.950 1.00 0.00 N ATOM 297 CZ ARG A 467 -9.371 -0.393 -3.225 1.00 0.00 C ATOM 298 NH1 ARG A 467 -9.967 -1.411 -3.830 1.00 0.00 N ATOM 299 NH2 ARG A 467 -9.135 0.727 -3.897 1.00 0.00 N ATOM 0 H ARG A 467 -6.398 -4.039 1.658 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.944 -1.757 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.319 -3.595 0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.755 -3.107 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.392 -0.791 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.744 -1.072 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -8.715 -2.533 -1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.295 -1.928 -1.131 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.555 0.310 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.150 -2.273 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -10.242 -1.332 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -8.677 1.512 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -9.412 0.802 -4.876 1.00 0.00 H new ATOM 313 N ASN A 468 -9.694 -3.327 3.904 1.00 0.00 N ATOM 314 CA ASN A 468 -10.385 -4.136 4.902 1.00 0.00 C ATOM 315 C ASN A 468 -9.624 -4.136 6.224 1.00 0.00 C ATOM 316 O ASN A 468 -9.615 -5.134 6.946 1.00 0.00 O ATOM 317 CB ASN A 468 -10.555 -5.570 4.397 1.00 0.00 C ATOM 318 CG ASN A 468 -11.721 -6.281 5.057 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.871 -5.859 4.932 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.429 -7.366 5.764 1.00 0.00 N ATOM 0 H ASN A 468 -10.173 -2.461 3.658 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.369 -3.699 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.705 -5.557 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.639 -6.129 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.172 -7.886 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.461 -7.680 5.841 1.00 0.00 H new ATOM 327 N ILE A 469 -8.988 -3.012 6.535 1.00 0.00 N ATOM 328 CA ILE A 469 -8.226 -2.882 7.770 1.00 0.00 C ATOM 329 C ILE A 469 -9.151 -2.705 8.970 1.00 0.00 C ATOM 330 O ILE A 469 -10.102 -1.924 8.942 1.00 0.00 O ATOM 331 CB ILE A 469 -7.251 -1.692 7.708 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.264 -1.873 6.553 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.508 -1.547 9.028 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.498 -0.615 6.209 1.00 0.00 C ATOM 0 H ILE A 469 -8.985 -2.178 5.948 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.655 -3.803 7.887 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.823 -0.781 7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.556 -2.660 6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.808 -2.210 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.822 -0.702 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.224 -1.378 9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.944 -2.458 9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.818 -0.818 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.197 0.169 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.926 -0.288 7.077 1.00 0.00 H new ATOM 346 N PRO A 470 -8.865 -3.446 10.051 1.00 0.00 N ATOM 347 CA PRO A 470 -9.658 -3.387 11.283 1.00 0.00 C ATOM 348 C PRO A 470 -9.483 -2.064 12.022 1.00 0.00 C ATOM 349 O PRO A 470 -8.378 -1.528 12.102 1.00 0.00 O ATOM 350 CB PRO A 470 -9.103 -4.543 12.118 1.00 0.00 C ATOM 351 CG PRO A 470 -7.712 -4.737 11.620 1.00 0.00 C ATOM 352 CD PRO A 470 -7.747 -4.398 10.155 1.00 0.00 C ATOM 0 HA PRO A 470 -10.727 -3.462 11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.113 -4.304 13.181 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.699 -5.446 11.989 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.013 -4.093 12.153 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.381 -5.764 11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.809 -3.954 9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.915 -5.283 9.542 1.00 0.00 H new ATOM 360 N PHE A 471 -10.581 -1.543 12.561 1.00 0.00 N ATOM 361 CA PHE A 471 -10.548 -0.282 13.293 1.00 0.00 C ATOM 362 C PHE A 471 -9.413 -0.274 14.312 1.00 0.00 C ATOM 363 O PHE A 471 -8.711 0.724 14.466 1.00 0.00 O ATOM 364 CB PHE A 471 -11.885 -0.044 13.999 1.00 0.00 C ATOM 365 CG PHE A 471 -11.906 1.203 14.836 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.189 1.272 16.019 1.00 0.00 C ATOM 367 CD2 PHE A 471 -12.645 2.307 14.439 1.00 0.00 C ATOM 368 CE1 PHE A 471 -11.206 2.419 16.791 1.00 0.00 C ATOM 369 CE2 PHE A 471 -12.666 3.456 15.207 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.947 3.511 16.385 1.00 0.00 C ATOM 0 H PHE A 471 -11.504 -1.974 12.505 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.374 0.521 12.577 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.676 0.016 13.252 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.110 -0.902 14.633 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -10.610 0.420 16.342 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -13.210 2.269 13.520 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -10.641 2.461 17.710 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -13.244 4.310 14.886 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.964 4.407 16.988 1.00 0.00 H new ATOM 380 N GLN A 472 -9.241 -1.395 15.006 1.00 0.00 N ATOM 381 CA GLN A 472 -8.192 -1.517 16.012 1.00 0.00 C ATOM 382 C GLN A 472 -6.825 -1.203 15.413 1.00 0.00 C ATOM 383 O GLN A 472 -5.982 -0.580 16.059 1.00 0.00 O ATOM 384 CB GLN A 472 -8.190 -2.925 16.609 1.00 0.00 C ATOM 385 CG GLN A 472 -7.433 -3.027 17.923 1.00 0.00 C ATOM 386 CD GLN A 472 -7.883 -4.205 18.766 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.920 -4.813 18.499 1.00 0.00 O ATOM 388 NE2 GLN A 472 -7.103 -4.533 19.789 1.00 0.00 N ATOM 0 H GLN A 472 -9.814 -2.231 14.890 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.396 -0.796 16.803 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -9.220 -3.245 16.767 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.748 -3.615 15.890 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -6.366 -3.119 17.717 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -7.570 -2.106 18.490 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -6.252 -4.001 19.973 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -7.354 -5.317 20.391 1.00 0.00 H new ATOM 397 N ALA A 473 -6.612 -1.639 14.176 1.00 0.00 N ATOM 398 CA ALA A 473 -5.348 -1.403 13.490 1.00 0.00 C ATOM 399 C ALA A 473 -5.138 0.083 13.222 1.00 0.00 C ATOM 400 O ALA A 473 -6.080 0.803 12.894 1.00 0.00 O ATOM 401 CB ALA A 473 -5.299 -2.189 12.188 1.00 0.00 C ATOM 0 H ALA A 473 -7.299 -2.158 13.628 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.542 -1.746 14.138 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.349 -2.003 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.394 -3.254 12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.118 -1.874 11.542 1.00 0.00 H new ATOM 407 N ASN A 474 -3.896 0.536 13.364 1.00 0.00 N ATOM 408 CA ASN A 474 -3.563 1.937 13.137 1.00 0.00 C ATOM 409 C ASN A 474 -2.327 2.067 12.252 1.00 0.00 C ATOM 410 O ASN A 474 -1.754 1.067 11.821 1.00 0.00 O ATOM 411 CB ASN A 474 -3.326 2.649 14.471 1.00 0.00 C ATOM 412 CG ASN A 474 -4.413 2.353 15.486 1.00 0.00 C ATOM 413 OD1 ASN A 474 -5.596 2.300 15.147 1.00 0.00 O ATOM 414 ND2 ASN A 474 -4.017 2.159 16.738 1.00 0.00 N ATOM 0 H ASN A 474 -3.104 -0.047 13.635 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.404 2.406 12.626 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.361 2.343 14.876 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -3.274 3.724 14.301 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.704 1.956 17.465 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.026 2.212 16.974 1.00 0.00 H new ATOM 421 N GLN A 475 -1.923 3.305 11.987 1.00 0.00 N ATOM 422 CA GLN A 475 -0.756 3.565 11.153 1.00 0.00 C ATOM 423 C GLN A 475 0.421 2.693 11.578 1.00 0.00 C ATOM 424 O GLN A 475 1.000 1.974 10.763 1.00 0.00 O ATOM 425 CB GLN A 475 -0.366 5.042 11.231 1.00 0.00 C ATOM 426 CG GLN A 475 0.670 5.453 10.197 1.00 0.00 C ATOM 427 CD GLN A 475 1.051 6.917 10.302 1.00 0.00 C ATOM 428 OE1 GLN A 475 1.996 7.275 11.004 1.00 0.00 O ATOM 429 NE2 GLN A 475 0.314 7.772 9.601 1.00 0.00 N ATOM 0 H GLN A 475 -2.386 4.143 12.338 1.00 0.00 H new ATOM 0 HA GLN A 475 -1.014 3.319 10.123 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.259 5.653 11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 475 0.023 5.255 12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.563 4.840 10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.280 5.254 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.461 7.430 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 475 0.523 8.770 9.632 1.00 0.00 H new ATOM 438 N ARG A 476 0.771 2.763 12.858 1.00 0.00 N ATOM 439 CA ARG A 476 1.880 1.981 13.391 1.00 0.00 C ATOM 440 C ARG A 476 1.706 0.500 13.067 1.00 0.00 C ATOM 441 O ARG A 476 2.594 -0.128 12.491 1.00 0.00 O ATOM 442 CB ARG A 476 1.988 2.174 14.904 1.00 0.00 C ATOM 443 CG ARG A 476 2.376 3.586 15.312 1.00 0.00 C ATOM 444 CD ARG A 476 1.919 3.902 16.727 1.00 0.00 C ATOM 445 NE ARG A 476 2.721 3.207 17.730 1.00 0.00 N ATOM 446 CZ ARG A 476 2.472 3.256 19.034 1.00 0.00 C ATOM 447 NH1 ARG A 476 1.447 3.963 19.490 1.00 0.00 N ATOM 448 NH2 ARG A 476 3.248 2.596 19.884 1.00 0.00 N ATOM 0 H ARG A 476 0.303 3.353 13.545 1.00 0.00 H new ATOM 0 HA ARG A 476 2.798 2.333 12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.032 1.922 15.363 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.725 1.475 15.299 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.458 3.701 15.243 1.00 0.00 H new ATOM 0 HG3 ARG A 476 1.935 4.301 14.618 1.00 0.00 H new ATOM 0 HD2 ARG A 476 1.980 4.977 16.896 1.00 0.00 H new ATOM 0 HD3 ARG A 476 0.872 3.620 16.841 1.00 0.00 H new ATOM 0 HE ARG A 476 3.516 2.653 17.412 1.00 0.00 H new ATOM 0 HH11 ARG A 476 0.848 4.471 18.839 1.00 0.00 H new ATOM 0 HH12 ARG A 476 1.258 3.999 20.492 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.037 2.050 19.536 1.00 0.00 H new ATOM 0 HH22 ARG A 476 3.056 2.634 20.885 1.00 0.00 H new ATOM 462 N GLU A 477 0.557 -0.052 13.443 1.00 0.00 N ATOM 463 CA GLU A 477 0.268 -1.459 13.194 1.00 0.00 C ATOM 464 C GLU A 477 0.724 -1.869 11.797 1.00 0.00 C ATOM 465 O GLU A 477 1.511 -2.804 11.639 1.00 0.00 O ATOM 466 CB GLU A 477 -1.230 -1.731 13.354 1.00 0.00 C ATOM 467 CG GLU A 477 -1.632 -3.150 12.988 1.00 0.00 C ATOM 468 CD GLU A 477 -0.737 -4.194 13.627 1.00 0.00 C ATOM 469 OE1 GLU A 477 -1.040 -4.621 14.761 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.266 -4.583 12.994 1.00 0.00 O ATOM 0 H GLU A 477 -0.189 0.454 13.921 1.00 0.00 H new ATOM 0 HA GLU A 477 0.818 -2.051 13.925 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.518 -1.535 14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.787 -1.032 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.663 -3.323 13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.601 -3.264 11.904 1.00 0.00 H new ATOM 477 N ILE A 478 0.225 -1.164 10.787 1.00 0.00 N ATOM 478 CA ILE A 478 0.582 -1.454 9.404 1.00 0.00 C ATOM 479 C ILE A 478 2.077 -1.265 9.170 1.00 0.00 C ATOM 480 O ILE A 478 2.738 -2.123 8.586 1.00 0.00 O ATOM 481 CB ILE A 478 -0.197 -0.559 8.422 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.704 -0.723 8.634 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.181 -0.893 6.987 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.200 -2.130 8.383 1.00 0.00 C ATOM 0 H ILE A 478 -0.427 -0.388 10.901 1.00 0.00 H new ATOM 0 HA ILE A 478 0.317 -2.496 9.222 1.00 0.00 H new ATOM 0 HB ILE A 478 0.067 0.481 8.614 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.952 -0.436 9.656 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.233 -0.037 7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.378 -0.252 6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.249 -0.730 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -0.057 -1.937 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.276 -2.172 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.983 -2.414 7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.699 -2.819 9.063 1.00 0.00 H new ATOM 496 N ARG A 479 2.604 -0.136 9.633 1.00 0.00 N ATOM 497 CA ARG A 479 4.021 0.167 9.475 1.00 0.00 C ATOM 498 C ARG A 479 4.875 -1.066 9.756 1.00 0.00 C ATOM 499 O ARG A 479 5.458 -1.650 8.843 1.00 0.00 O ATOM 500 CB ARG A 479 4.429 1.306 10.410 1.00 0.00 C ATOM 501 CG ARG A 479 4.348 2.681 9.767 1.00 0.00 C ATOM 502 CD ARG A 479 4.103 3.767 10.802 1.00 0.00 C ATOM 503 NE ARG A 479 5.185 3.845 11.780 1.00 0.00 N ATOM 504 CZ ARG A 479 5.082 4.483 12.941 1.00 0.00 C ATOM 505 NH1 ARG A 479 3.952 5.096 13.266 1.00 0.00 N ATOM 506 NH2 ARG A 479 6.110 4.508 13.779 1.00 0.00 N ATOM 0 H ARG A 479 2.071 0.584 10.121 1.00 0.00 H new ATOM 0 HA ARG A 479 4.187 0.476 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.788 1.288 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 479 5.449 1.135 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 479 5.275 2.889 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 479 3.545 2.692 9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 479 3.998 4.729 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 479 3.162 3.572 11.317 1.00 0.00 H new ATOM 0 HE ARG A 479 6.068 3.384 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 479 3.159 5.078 12.624 1.00 0.00 H new ATOM 0 HH12 ARG A 479 3.875 5.585 14.158 1.00 0.00 H new ATOM 0 HH21 ARG A 479 6.981 4.037 13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 479 6.030 4.998 14.670 1.00 0.00 H new ATOM 520 N GLU A 480 4.942 -1.456 11.025 1.00 0.00 N ATOM 521 CA GLU A 480 5.726 -2.619 11.426 1.00 0.00 C ATOM 522 C GLU A 480 5.309 -3.855 10.634 1.00 0.00 C ATOM 523 O GLU A 480 6.140 -4.699 10.296 1.00 0.00 O ATOM 524 CB GLU A 480 5.562 -2.880 12.925 1.00 0.00 C ATOM 525 CG GLU A 480 6.508 -2.067 13.792 1.00 0.00 C ATOM 526 CD GLU A 480 6.200 -2.195 15.271 1.00 0.00 C ATOM 527 OE1 GLU A 480 6.227 -3.332 15.787 1.00 0.00 O ATOM 528 OE2 GLU A 480 5.931 -1.158 15.913 1.00 0.00 O ATOM 0 H GLU A 480 4.463 -0.984 11.792 1.00 0.00 H new ATOM 0 HA GLU A 480 6.774 -2.410 11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.535 -2.656 13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.724 -3.940 13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 480 7.532 -2.392 13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 480 6.449 -1.018 13.502 1.00 0.00 H new ATOM 535 N LEU A 481 4.017 -3.955 10.342 1.00 0.00 N ATOM 536 CA LEU A 481 3.488 -5.088 9.590 1.00 0.00 C ATOM 537 C LEU A 481 4.321 -5.348 8.340 1.00 0.00 C ATOM 538 O LEU A 481 4.639 -6.494 8.020 1.00 0.00 O ATOM 539 CB LEU A 481 2.031 -4.831 9.202 1.00 0.00 C ATOM 540 CG LEU A 481 1.202 -6.068 8.853 1.00 0.00 C ATOM 541 CD1 LEU A 481 0.841 -6.841 10.112 1.00 0.00 C ATOM 542 CD2 LEU A 481 -0.054 -5.671 8.091 1.00 0.00 C ATOM 0 H LEU A 481 3.316 -3.266 10.614 1.00 0.00 H new ATOM 0 HA LEU A 481 3.538 -5.971 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.542 -4.311 10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.017 -4.156 8.347 1.00 0.00 H new ATOM 0 HG LEU A 481 1.802 -6.715 8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.251 -7.718 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.753 -7.158 10.618 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.260 -6.202 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.631 -6.564 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.657 -5.003 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.226 -5.161 7.169 1.00 0.00 H new ATOM 554 N PHE A 482 4.674 -4.277 7.636 1.00 0.00 N ATOM 555 CA PHE A 482 5.472 -4.389 6.421 1.00 0.00 C ATOM 556 C PHE A 482 6.953 -4.176 6.721 1.00 0.00 C ATOM 557 O PHE A 482 7.795 -4.994 6.353 1.00 0.00 O ATOM 558 CB PHE A 482 4.999 -3.373 5.380 1.00 0.00 C ATOM 559 CG PHE A 482 3.669 -3.712 4.771 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.589 -4.549 3.670 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.498 -3.195 5.301 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.366 -4.862 3.107 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.271 -3.505 4.743 1.00 0.00 C ATOM 564 CZ PHE A 482 1.206 -4.341 3.645 1.00 0.00 C ATOM 0 H PHE A 482 4.420 -3.322 7.887 1.00 0.00 H new ATOM 0 HA PHE A 482 5.342 -5.395 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.936 -2.390 5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.745 -3.303 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.493 -4.962 3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.544 -2.542 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.318 -5.514 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.366 -3.094 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.249 -4.587 3.208 1.00 0.00 H new ATOM 574 N SER A 483 7.261 -3.071 7.391 1.00 0.00 N ATOM 575 CA SER A 483 8.640 -2.747 7.737 1.00 0.00 C ATOM 576 C SER A 483 9.424 -4.009 8.086 1.00 0.00 C ATOM 577 O SER A 483 10.629 -4.093 7.844 1.00 0.00 O ATOM 578 CB SER A 483 8.677 -1.769 8.914 1.00 0.00 C ATOM 579 OG SER A 483 8.733 -2.460 10.150 1.00 0.00 O ATOM 0 H SER A 483 6.575 -2.385 7.705 1.00 0.00 H new ATOM 0 HA SER A 483 9.105 -2.279 6.870 1.00 0.00 H new ATOM 0 HB2 SER A 483 9.544 -1.115 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 483 7.793 -1.132 8.890 1.00 0.00 H new ATOM 0 HG SER A 483 8.758 -1.813 10.886 1.00 0.00 H new ATOM 585 N THR A 484 8.731 -4.990 8.656 1.00 0.00 N ATOM 586 CA THR A 484 9.360 -6.247 9.040 1.00 0.00 C ATOM 587 C THR A 484 10.081 -6.884 7.857 1.00 0.00 C ATOM 588 O THR A 484 11.237 -7.293 7.969 1.00 0.00 O ATOM 589 CB THR A 484 8.327 -7.246 9.595 1.00 0.00 C ATOM 590 OG1 THR A 484 7.734 -6.723 10.789 1.00 0.00 O ATOM 591 CG2 THR A 484 8.978 -8.589 9.891 1.00 0.00 C ATOM 0 H THR A 484 7.733 -4.938 8.862 1.00 0.00 H new ATOM 0 HA THR A 484 10.084 -6.013 9.821 1.00 0.00 H new ATOM 0 HB THR A 484 7.554 -7.394 8.841 1.00 0.00 H new ATOM 0 HG1 THR A 484 6.891 -6.275 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.229 -9.278 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.403 -8.997 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.769 -8.455 10.629 1.00 0.00 H new ATOM 599 N PHE A 485 9.392 -6.966 6.724 1.00 0.00 N ATOM 600 CA PHE A 485 9.967 -7.554 5.520 1.00 0.00 C ATOM 601 C PHE A 485 11.144 -6.723 5.018 1.00 0.00 C ATOM 602 O PHE A 485 12.183 -7.263 4.641 1.00 0.00 O ATOM 603 CB PHE A 485 8.904 -7.667 4.425 1.00 0.00 C ATOM 604 CG PHE A 485 7.983 -8.840 4.602 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.926 -8.779 5.496 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.174 -10.004 3.875 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.078 -9.857 5.662 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.328 -11.085 4.036 1.00 0.00 C ATOM 609 CZ PHE A 485 6.278 -11.011 4.930 1.00 0.00 C ATOM 0 H PHE A 485 8.434 -6.633 6.614 1.00 0.00 H new ATOM 0 HA PHE A 485 10.329 -8.551 5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.313 -6.751 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.398 -7.746 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.763 -7.878 6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.993 -10.067 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.259 -9.797 6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.488 -11.987 3.463 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.615 -11.854 5.056 1.00 0.00 H new ATOM 619 N GLY A 486 10.973 -5.404 5.016 1.00 0.00 N ATOM 620 CA GLY A 486 12.028 -4.520 4.558 1.00 0.00 C ATOM 621 C GLY A 486 11.776 -3.073 4.935 1.00 0.00 C ATOM 622 O GLY A 486 10.719 -2.740 5.468 1.00 0.00 O ATOM 0 H GLY A 486 10.122 -4.933 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 486 12.978 -4.843 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.120 -4.599 3.475 1.00 0.00 H new ATOM 626 N GLU A 487 12.751 -2.213 4.657 1.00 0.00 N ATOM 627 CA GLU A 487 12.629 -0.794 4.974 1.00 0.00 C ATOM 628 C GLU A 487 11.478 -0.161 4.198 1.00 0.00 C ATOM 629 O GLU A 487 11.260 -0.469 3.026 1.00 0.00 O ATOM 630 CB GLU A 487 13.936 -0.065 4.655 1.00 0.00 C ATOM 631 CG GLU A 487 14.112 1.233 5.426 1.00 0.00 C ATOM 632 CD GLU A 487 14.310 1.007 6.912 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.299 0.341 7.283 1.00 0.00 O ATOM 634 OE2 GLU A 487 13.476 1.494 7.703 1.00 0.00 O ATOM 0 H GLU A 487 13.632 -2.473 4.214 1.00 0.00 H new ATOM 0 HA GLU A 487 12.420 -0.701 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.774 -0.726 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.972 0.149 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.970 1.774 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.237 1.864 5.272 1.00 0.00 H new ATOM 641 N LEU A 488 10.744 0.726 4.861 1.00 0.00 N ATOM 642 CA LEU A 488 9.614 1.404 4.235 1.00 0.00 C ATOM 643 C LEU A 488 9.948 2.864 3.943 1.00 0.00 C ATOM 644 O LEU A 488 10.905 3.414 4.488 1.00 0.00 O ATOM 645 CB LEU A 488 8.381 1.322 5.137 1.00 0.00 C ATOM 646 CG LEU A 488 7.749 -0.063 5.286 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.743 -0.071 6.426 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.086 -0.489 3.984 1.00 0.00 C ATOM 0 H LEU A 488 10.911 0.992 5.831 1.00 0.00 H new ATOM 0 HA LEU A 488 9.400 0.903 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.656 1.682 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.625 2.004 4.748 1.00 0.00 H new ATOM 0 HG LEU A 488 8.538 -0.778 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.304 -1.064 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.246 0.190 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.957 0.656 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.642 -1.477 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.309 0.228 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 488 7.832 -0.524 3.190 1.00 0.00 H new ATOM 660 N LYS A 489 9.151 3.487 3.081 1.00 0.00 N ATOM 661 CA LYS A 489 9.359 4.884 2.719 1.00 0.00 C ATOM 662 C LYS A 489 8.456 5.799 3.540 1.00 0.00 C ATOM 663 O LYS A 489 8.918 6.772 4.137 1.00 0.00 O ATOM 664 CB LYS A 489 9.090 5.090 1.227 1.00 0.00 C ATOM 665 CG LYS A 489 10.313 4.877 0.353 1.00 0.00 C ATOM 666 CD LYS A 489 10.259 5.732 -0.902 1.00 0.00 C ATOM 667 CE LYS A 489 11.572 5.682 -1.668 1.00 0.00 C ATOM 668 NZ LYS A 489 12.529 6.721 -1.196 1.00 0.00 N ATOM 0 H LYS A 489 8.355 3.046 2.620 1.00 0.00 H new ATOM 0 HA LYS A 489 10.397 5.139 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.304 4.405 0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.714 6.101 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.212 5.118 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.384 3.825 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.449 5.387 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 489 10.034 6.764 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.022 4.696 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.378 5.823 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 13.411 6.654 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 12.111 7.664 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 12.734 6.571 -0.188 1.00 0.00 H new ATOM 682 N THR A 490 7.166 5.480 3.569 1.00 0.00 N ATOM 683 CA THR A 490 6.199 6.273 4.317 1.00 0.00 C ATOM 684 C THR A 490 4.824 5.613 4.311 1.00 0.00 C ATOM 685 O THR A 490 4.320 5.217 3.260 1.00 0.00 O ATOM 686 CB THR A 490 6.075 7.697 3.743 1.00 0.00 C ATOM 687 OG1 THR A 490 5.197 8.480 4.559 1.00 0.00 O ATOM 688 CG2 THR A 490 5.551 7.660 2.315 1.00 0.00 C ATOM 0 H THR A 490 6.767 4.677 3.083 1.00 0.00 H new ATOM 0 HA THR A 490 6.566 6.333 5.342 1.00 0.00 H new ATOM 0 HB THR A 490 7.066 8.151 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 490 5.125 9.384 4.188 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.472 8.677 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.237 7.088 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.568 7.189 2.300 1.00 0.00 H new ATOM 696 N VAL A 491 4.222 5.499 5.491 1.00 0.00 N ATOM 697 CA VAL A 491 2.905 4.889 5.621 1.00 0.00 C ATOM 698 C VAL A 491 1.823 5.949 5.797 1.00 0.00 C ATOM 699 O VAL A 491 1.922 6.813 6.669 1.00 0.00 O ATOM 700 CB VAL A 491 2.852 3.915 6.812 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.423 3.464 7.072 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.760 2.719 6.563 1.00 0.00 C ATOM 0 H VAL A 491 4.626 5.821 6.370 1.00 0.00 H new ATOM 0 HA VAL A 491 2.721 4.335 4.700 1.00 0.00 H new ATOM 0 HB VAL A 491 3.210 4.436 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.407 2.776 7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.803 4.332 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.034 2.961 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.710 2.041 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.435 2.196 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.786 3.062 6.432 1.00 0.00 H new ATOM 712 N ARG A 492 0.790 5.877 4.964 1.00 0.00 N ATOM 713 CA ARG A 492 -0.310 6.831 5.027 1.00 0.00 C ATOM 714 C ARG A 492 -1.613 6.134 5.408 1.00 0.00 C ATOM 715 O ARG A 492 -2.032 5.178 4.754 1.00 0.00 O ATOM 716 CB ARG A 492 -0.474 7.543 3.683 1.00 0.00 C ATOM 717 CG ARG A 492 0.758 8.323 3.253 1.00 0.00 C ATOM 718 CD ARG A 492 0.832 9.674 3.948 1.00 0.00 C ATOM 719 NE ARG A 492 0.130 10.713 3.201 1.00 0.00 N ATOM 720 CZ ARG A 492 0.221 12.009 3.481 1.00 0.00 C ATOM 721 NH1 ARG A 492 0.981 12.421 4.485 1.00 0.00 N ATOM 722 NH2 ARG A 492 -0.449 12.894 2.754 1.00 0.00 N ATOM 0 H ARG A 492 0.692 5.168 4.238 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.074 7.568 5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.712 6.805 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.322 8.225 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.654 7.745 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.739 8.469 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.402 9.592 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 492 1.876 9.960 4.073 1.00 0.00 H new ATOM 0 HE ARG A 492 -0.463 10.429 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 492 1.498 11.743 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.049 13.416 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -1.034 12.580 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -0.379 13.889 2.969 1.00 0.00 H new ATOM 736 N LEU A 493 -2.249 6.617 6.469 1.00 0.00 N ATOM 737 CA LEU A 493 -3.505 6.041 6.937 1.00 0.00 C ATOM 738 C LEU A 493 -4.470 7.132 7.389 1.00 0.00 C ATOM 739 O LEU A 493 -4.074 8.148 7.960 1.00 0.00 O ATOM 740 CB LEU A 493 -3.243 5.067 8.088 1.00 0.00 C ATOM 741 CG LEU A 493 -2.983 3.613 7.691 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.497 3.378 7.469 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.522 2.666 8.753 1.00 0.00 C ATOM 0 H LEU A 493 -1.916 7.407 7.022 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.960 5.501 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.384 5.427 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.101 5.091 8.760 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.505 3.413 6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.331 2.338 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.140 4.031 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.953 3.596 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.328 1.636 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.028 2.867 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.596 2.816 8.863 1.00 0.00 H new ATOM 755 N PRO A 494 -5.769 6.917 7.130 1.00 0.00 N ATOM 756 CA PRO A 494 -6.818 7.870 7.504 1.00 0.00 C ATOM 757 C PRO A 494 -7.029 7.938 9.013 1.00 0.00 C ATOM 758 O PRO A 494 -7.132 6.910 9.683 1.00 0.00 O ATOM 759 CB PRO A 494 -8.066 7.312 6.815 1.00 0.00 C ATOM 760 CG PRO A 494 -7.796 5.855 6.664 1.00 0.00 C ATOM 761 CD PRO A 494 -6.312 5.728 6.454 1.00 0.00 C ATOM 0 HA PRO A 494 -6.568 8.888 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 494 -8.960 7.489 7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 494 -8.230 7.787 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 494 -8.113 5.306 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 494 -8.346 5.442 5.819 1.00 0.00 H new ATOM 0 HD2 PRO A 494 -5.922 4.807 6.887 1.00 0.00 H new ATOM 0 HD3 PRO A 494 -6.056 5.716 5.395 1.00 0.00 H new ATOM 769 N LYS A 495 -7.092 9.154 9.543 1.00 0.00 N ATOM 770 CA LYS A 495 -7.293 9.357 10.973 1.00 0.00 C ATOM 771 C LYS A 495 -8.754 9.671 11.278 1.00 0.00 C ATOM 772 O LYS A 495 -9.363 10.527 10.637 1.00 0.00 O ATOM 773 CB LYS A 495 -6.400 10.493 11.478 1.00 0.00 C ATOM 774 CG LYS A 495 -6.660 11.823 10.791 1.00 0.00 C ATOM 775 CD LYS A 495 -5.569 12.834 11.102 1.00 0.00 C ATOM 776 CE LYS A 495 -5.432 13.864 9.992 1.00 0.00 C ATOM 777 NZ LYS A 495 -6.570 14.824 9.982 1.00 0.00 N ATOM 0 H LYS A 495 -7.007 10.015 9.003 1.00 0.00 H new ATOM 0 HA LYS A 495 -7.023 8.435 11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 495 -6.550 10.612 12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 495 -5.356 10.216 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 495 -6.720 11.671 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 495 -7.624 12.217 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 495 -5.795 13.338 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 495 -4.620 12.316 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 495 -4.497 14.410 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 495 -5.378 13.355 9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 495 -6.439 15.510 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 495 -7.460 14.306 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 495 -6.607 15.328 10.891 1.00 0.00 H new ATOM 791 N LYS A 496 -9.310 8.974 12.263 1.00 0.00 N ATOM 792 CA LYS A 496 -10.699 9.180 12.656 1.00 0.00 C ATOM 793 C LYS A 496 -10.893 10.564 13.266 1.00 0.00 C ATOM 794 O LYS A 496 -10.039 11.051 14.007 1.00 0.00 O ATOM 795 CB LYS A 496 -11.132 8.105 13.657 1.00 0.00 C ATOM 796 CG LYS A 496 -12.415 8.443 14.396 1.00 0.00 C ATOM 797 CD LYS A 496 -13.627 8.343 13.484 1.00 0.00 C ATOM 798 CE LYS A 496 -14.919 8.260 14.282 1.00 0.00 C ATOM 799 NZ LYS A 496 -15.069 6.943 14.960 1.00 0.00 N ATOM 0 H LYS A 496 -8.820 8.261 12.804 1.00 0.00 H new ATOM 0 HA LYS A 496 -11.318 9.107 11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 496 -11.265 7.161 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 496 -10.333 7.954 14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 496 -12.538 7.766 15.242 1.00 0.00 H new ATOM 0 HG3 LYS A 496 -12.347 9.452 14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 496 -13.660 9.210 12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 496 -13.534 7.463 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 496 -14.938 9.056 15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 496 -15.767 8.425 13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 496 -16.057 6.818 15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 496 -14.809 6.182 14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 496 -14.446 6.908 15.792 1.00 0.00 H new ATOM 813 N MET A 497 -12.021 11.192 12.951 1.00 0.00 N ATOM 814 CA MET A 497 -12.327 12.520 13.471 1.00 0.00 C ATOM 815 C MET A 497 -13.624 12.504 14.273 1.00 0.00 C ATOM 816 O MET A 497 -14.479 11.641 14.073 1.00 0.00 O ATOM 817 CB MET A 497 -12.434 13.528 12.325 1.00 0.00 C ATOM 818 CG MET A 497 -11.096 14.115 11.905 1.00 0.00 C ATOM 819 SD MET A 497 -10.307 15.058 13.223 1.00 0.00 S ATOM 820 CE MET A 497 -11.332 16.527 13.249 1.00 0.00 C ATOM 0 H MET A 497 -12.738 10.803 12.339 1.00 0.00 H new ATOM 0 HA MET A 497 -11.515 12.820 14.133 1.00 0.00 H new ATOM 0 HB2 MET A 497 -12.894 13.041 11.465 1.00 0.00 H new ATOM 0 HB3 MET A 497 -13.099 14.338 12.625 1.00 0.00 H new ATOM 0 HG2 MET A 497 -10.432 13.309 11.593 1.00 0.00 H new ATOM 0 HG3 MET A 497 -11.243 14.761 11.039 1.00 0.00 H new ATOM 0 HE1 MET A 497 -10.853 17.295 13.857 1.00 0.00 H new ATOM 0 HE2 MET A 497 -11.462 16.898 12.232 1.00 0.00 H new ATOM 0 HE3 MET A 497 -12.306 16.284 13.674 1.00 0.00 H new ATOM 830 N THR A 498 -13.765 13.465 15.181 1.00 0.00 N ATOM 831 CA THR A 498 -14.958 13.560 16.013 1.00 0.00 C ATOM 832 C THR A 498 -16.186 13.901 15.178 1.00 0.00 C ATOM 833 O THR A 498 -17.264 13.347 15.387 1.00 0.00 O ATOM 834 CB THR A 498 -14.790 14.623 17.116 1.00 0.00 C ATOM 835 OG1 THR A 498 -14.531 15.903 16.527 1.00 0.00 O ATOM 836 CG2 THR A 498 -13.653 14.252 18.056 1.00 0.00 C ATOM 0 H THR A 498 -13.068 14.188 15.359 1.00 0.00 H new ATOM 0 HA THR A 498 -15.098 12.584 16.477 1.00 0.00 H new ATOM 0 HB THR A 498 -15.715 14.668 17.691 1.00 0.00 H new ATOM 0 HG1 THR A 498 -14.427 16.574 17.234 1.00 0.00 H new ATOM 0 HG21 THR A 498 -13.553 15.017 18.826 1.00 0.00 H new ATOM 0 HG22 THR A 498 -13.867 13.291 18.524 1.00 0.00 H new ATOM 0 HG23 THR A 498 -12.723 14.182 17.492 1.00 0.00 H new ATOM 844 N GLY A 499 -16.015 14.816 14.228 1.00 0.00 N ATOM 845 CA GLY A 499 -17.119 15.215 13.375 1.00 0.00 C ATOM 846 C GLY A 499 -17.251 14.333 12.148 1.00 0.00 C ATOM 847 O GLY A 499 -17.851 13.260 12.207 1.00 0.00 O ATOM 0 H GLY A 499 -15.132 15.288 14.034 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -18.047 15.179 13.946 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -16.977 16.249 13.062 1.00 0.00 H new ATOM 851 N THR A 500 -16.689 14.787 11.032 1.00 0.00 N ATOM 852 CA THR A 500 -16.749 14.035 9.786 1.00 0.00 C ATOM 853 C THR A 500 -15.376 13.493 9.404 1.00 0.00 C ATOM 854 O THR A 500 -14.350 14.081 9.744 1.00 0.00 O ATOM 855 CB THR A 500 -17.285 14.902 8.631 1.00 0.00 C ATOM 856 OG1 THR A 500 -16.410 16.011 8.404 1.00 0.00 O ATOM 857 CG2 THR A 500 -18.686 15.409 8.940 1.00 0.00 C ATOM 0 H THR A 500 -16.187 15.672 10.966 1.00 0.00 H new ATOM 0 HA THR A 500 -17.432 13.202 9.953 1.00 0.00 H new ATOM 0 HB THR A 500 -17.329 14.285 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 500 -16.757 16.556 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 500 -19.044 16.019 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 500 -19.356 14.561 9.083 1.00 0.00 H new ATOM 0 HG23 THR A 500 -18.663 16.011 9.849 1.00 0.00 H new ATOM 865 N GLY A 501 -15.365 12.368 8.695 1.00 0.00 N ATOM 866 CA GLY A 501 -14.111 11.767 8.278 1.00 0.00 C ATOM 867 C GLY A 501 -13.642 10.685 9.231 1.00 0.00 C ATOM 868 O GLY A 501 -13.023 10.976 10.254 1.00 0.00 O ATOM 0 H GLY A 501 -16.201 11.862 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -14.229 11.343 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -13.347 12.541 8.207 1.00 0.00 H new ATOM 872 N ALA A 502 -13.940 9.434 8.896 1.00 0.00 N ATOM 873 CA ALA A 502 -13.544 8.305 9.729 1.00 0.00 C ATOM 874 C ALA A 502 -12.516 7.432 9.018 1.00 0.00 C ATOM 875 O ALA A 502 -12.408 7.455 7.792 1.00 0.00 O ATOM 876 CB ALA A 502 -14.763 7.481 10.115 1.00 0.00 C ATOM 0 H ALA A 502 -14.454 9.177 8.054 1.00 0.00 H new ATOM 0 HA ALA A 502 -13.083 8.698 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 502 -14.453 6.641 10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 502 -15.463 8.105 10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 502 -15.248 7.105 9.214 1.00 0.00 H new ATOM 882 N HIS A 503 -11.762 6.662 9.796 1.00 0.00 N ATOM 883 CA HIS A 503 -10.741 5.780 9.240 1.00 0.00 C ATOM 884 C HIS A 503 -11.366 4.747 8.307 1.00 0.00 C ATOM 885 O HIS A 503 -12.063 3.835 8.752 1.00 0.00 O ATOM 886 CB HIS A 503 -9.979 5.075 10.362 1.00 0.00 C ATOM 887 CG HIS A 503 -9.357 3.779 9.942 1.00 0.00 C ATOM 888 ND1 HIS A 503 -10.078 2.613 9.790 1.00 0.00 N ATOM 889 CD2 HIS A 503 -8.075 3.469 9.640 1.00 0.00 C ATOM 890 CE1 HIS A 503 -9.265 1.642 9.414 1.00 0.00 C ATOM 891 NE2 HIS A 503 -8.044 2.135 9.316 1.00 0.00 N ATOM 0 H HIS A 503 -11.838 6.631 10.813 1.00 0.00 H new ATOM 0 HA HIS A 503 -10.044 6.389 8.665 1.00 0.00 H new ATOM 0 HB2 HIS A 503 -9.199 5.739 10.733 1.00 0.00 H new ATOM 0 HB3 HIS A 503 -10.661 4.889 11.192 1.00 0.00 H new ATOM 0 HD1 HIS A 503 -11.082 2.516 9.944 1.00 0.00 H new ATOM 0 HD2 HIS A 503 -7.233 4.145 9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 503 -9.551 0.619 9.220 1.00 0.00 H new ATOM 899 N ARG A 504 -11.112 4.897 7.011 1.00 0.00 N ATOM 900 CA ARG A 504 -11.651 3.979 6.015 1.00 0.00 C ATOM 901 C ARG A 504 -10.859 2.675 5.993 1.00 0.00 C ATOM 902 O ARG A 504 -9.753 2.599 6.527 1.00 0.00 O ATOM 903 CB ARG A 504 -11.629 4.625 4.629 1.00 0.00 C ATOM 904 CG ARG A 504 -12.570 5.811 4.495 1.00 0.00 C ATOM 905 CD ARG A 504 -12.097 6.778 3.421 1.00 0.00 C ATOM 906 NE ARG A 504 -13.081 7.825 3.156 1.00 0.00 N ATOM 907 CZ ARG A 504 -12.803 8.945 2.498 1.00 0.00 C ATOM 908 NH1 ARG A 504 -11.578 9.162 2.039 1.00 0.00 N ATOM 909 NH2 ARG A 504 -13.752 9.850 2.296 1.00 0.00 N ATOM 0 H ARG A 504 -10.536 5.646 6.626 1.00 0.00 H new ATOM 0 HA ARG A 504 -12.682 3.753 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.613 4.951 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.895 3.875 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -13.572 5.457 4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.639 6.332 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -11.157 7.234 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -11.896 6.228 2.501 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.033 7.689 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -10.846 8.468 2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -11.368 10.023 1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -14.696 9.686 2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -13.538 10.710 1.791 1.00 0.00 H new ATOM 923 N GLY A 505 -11.433 1.649 5.371 1.00 0.00 N ATOM 924 CA GLY A 505 -10.767 0.363 5.291 1.00 0.00 C ATOM 925 C GLY A 505 -9.778 0.292 4.145 1.00 0.00 C ATOM 926 O GLY A 505 -9.924 -0.529 3.239 1.00 0.00 O ATOM 0 H GLY A 505 -12.348 1.686 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -10.246 0.168 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.513 -0.422 5.172 1.00 0.00 H new ATOM 930 N PHE A 506 -8.768 1.155 4.183 1.00 0.00 N ATOM 931 CA PHE A 506 -7.751 1.189 3.138 1.00 0.00 C ATOM 932 C PHE A 506 -6.511 1.941 3.610 1.00 0.00 C ATOM 933 O PHE A 506 -6.612 2.982 4.258 1.00 0.00 O ATOM 934 CB PHE A 506 -8.310 1.846 1.875 1.00 0.00 C ATOM 935 CG PHE A 506 -8.144 3.339 1.852 1.00 0.00 C ATOM 936 CD1 PHE A 506 -6.987 3.912 1.348 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.143 4.168 2.333 1.00 0.00 C ATOM 938 CE1 PHE A 506 -6.831 5.285 1.326 1.00 0.00 C ATOM 939 CE2 PHE A 506 -8.993 5.542 2.314 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.835 6.101 1.809 1.00 0.00 C ATOM 0 H PHE A 506 -8.632 1.840 4.926 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.466 0.162 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.814 1.420 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.369 1.605 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -6.199 3.279 0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.051 3.736 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -5.924 5.720 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -9.780 6.177 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.715 7.174 1.792 1.00 0.00 H new ATOM 950 N GLY A 507 -5.339 1.405 3.281 1.00 0.00 N ATOM 951 CA GLY A 507 -4.096 2.037 3.680 1.00 0.00 C ATOM 952 C GLY A 507 -3.051 2.005 2.582 1.00 0.00 C ATOM 953 O GLY A 507 -2.983 1.051 1.807 1.00 0.00 O ATOM 0 H GLY A 507 -5.229 0.544 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.292 3.072 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.704 1.535 4.565 1.00 0.00 H new ATOM 957 N PHE A 508 -2.234 3.051 2.513 1.00 0.00 N ATOM 958 CA PHE A 508 -1.189 3.140 1.500 1.00 0.00 C ATOM 959 C PHE A 508 0.186 2.896 2.115 1.00 0.00 C ATOM 960 O PHE A 508 0.574 3.556 3.078 1.00 0.00 O ATOM 961 CB PHE A 508 -1.221 4.512 0.823 1.00 0.00 C ATOM 962 CG PHE A 508 -2.247 4.617 -0.269 1.00 0.00 C ATOM 963 CD1 PHE A 508 -2.158 3.821 -1.400 1.00 0.00 C ATOM 964 CD2 PHE A 508 -3.299 5.513 -0.166 1.00 0.00 C ATOM 965 CE1 PHE A 508 -3.101 3.915 -2.407 1.00 0.00 C ATOM 966 CE2 PHE A 508 -4.244 5.611 -1.170 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.144 4.812 -2.292 1.00 0.00 C ATOM 0 H PHE A 508 -2.276 3.849 3.147 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.376 2.369 0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.423 5.275 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.236 4.727 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -1.343 3.119 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -3.381 6.142 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -3.022 3.287 -3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -5.060 6.312 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.881 4.889 -3.078 1.00 0.00 H new ATOM 977 N VAL A 509 0.919 1.942 1.550 1.00 0.00 N ATOM 978 CA VAL A 509 2.251 1.609 2.040 1.00 0.00 C ATOM 979 C VAL A 509 3.291 1.732 0.932 1.00 0.00 C ATOM 980 O VAL A 509 3.108 1.206 -0.166 1.00 0.00 O ATOM 981 CB VAL A 509 2.297 0.182 2.617 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.712 -0.176 3.045 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.329 0.047 3.782 1.00 0.00 C ATOM 0 H VAL A 509 0.612 1.386 0.752 1.00 0.00 H new ATOM 0 HA VAL A 509 2.483 2.320 2.833 1.00 0.00 H new ATOM 0 HB VAL A 509 1.991 -0.516 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.725 -1.188 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.377 -0.122 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.049 0.525 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.375 -0.968 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.602 0.754 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.316 0.258 3.440 1.00 0.00 H new ATOM 993 N ASP A 510 4.383 2.429 1.228 1.00 0.00 N ATOM 994 CA ASP A 510 5.454 2.619 0.257 1.00 0.00 C ATOM 995 C ASP A 510 6.734 1.928 0.717 1.00 0.00 C ATOM 996 O ASP A 510 7.029 1.877 1.911 1.00 0.00 O ATOM 997 CB ASP A 510 5.716 4.111 0.040 1.00 0.00 C ATOM 998 CG ASP A 510 4.502 4.838 -0.504 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.945 4.382 -1.524 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.109 5.863 0.091 1.00 0.00 O ATOM 0 H ASP A 510 4.549 2.871 2.132 1.00 0.00 H new ATOM 0 HA ASP A 510 5.139 2.172 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 510 6.015 4.566 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.550 4.234 -0.651 1.00 0.00 H new ATOM 1005 N PHE A 511 7.489 1.395 -0.238 1.00 0.00 N ATOM 1006 CA PHE A 511 8.736 0.704 0.069 1.00 0.00 C ATOM 1007 C PHE A 511 9.932 1.466 -0.494 1.00 0.00 C ATOM 1008 O PHE A 511 9.787 2.295 -1.392 1.00 0.00 O ATOM 1009 CB PHE A 511 8.709 -0.717 -0.498 1.00 0.00 C ATOM 1010 CG PHE A 511 8.129 -1.729 0.449 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.797 -1.660 0.826 1.00 0.00 C ATOM 1012 CD2 PHE A 511 8.914 -2.749 0.960 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.261 -2.590 1.697 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.384 -3.681 1.832 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.055 -3.602 2.200 1.00 0.00 C ATOM 0 H PHE A 511 7.259 1.428 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 511 8.837 0.653 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.129 -0.721 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.725 -1.015 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.171 -0.871 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 511 9.953 -2.817 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.222 -2.525 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.008 -4.470 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.638 -4.330 2.880 1.00 0.00 H new ATOM 1025 N ILE A 512 11.114 1.178 0.042 1.00 0.00 N ATOM 1026 CA ILE A 512 12.335 1.835 -0.407 1.00 0.00 C ATOM 1027 C ILE A 512 12.727 1.371 -1.806 1.00 0.00 C ATOM 1028 O ILE A 512 13.077 2.180 -2.665 1.00 0.00 O ATOM 1029 CB ILE A 512 13.506 1.565 0.557 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.168 2.076 1.960 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.778 2.220 0.042 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.823 3.548 2.000 1.00 0.00 C ATOM 0 H ILE A 512 11.251 0.495 0.787 1.00 0.00 H new ATOM 0 HA ILE A 512 12.129 2.905 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 512 13.671 0.489 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.328 1.503 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.016 1.892 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.596 2.020 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.025 1.814 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.626 3.296 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.595 3.840 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.670 4.130 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.955 3.736 1.367 1.00 0.00 H new ATOM 1044 N THR A 513 12.664 0.062 -2.029 1.00 0.00 N ATOM 1045 CA THR A 513 13.012 -0.510 -3.323 1.00 0.00 C ATOM 1046 C THR A 513 11.878 -1.374 -3.864 1.00 0.00 C ATOM 1047 O THR A 513 11.263 -2.144 -3.126 1.00 0.00 O ATOM 1048 CB THR A 513 14.293 -1.361 -3.236 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.109 -2.430 -2.302 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.480 -0.509 -2.812 1.00 0.00 C ATOM 0 H THR A 513 12.375 -0.622 -1.330 1.00 0.00 H new ATOM 0 HA THR A 513 13.186 0.325 -4.001 1.00 0.00 H new ATOM 0 HB THR A 513 14.496 -1.774 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.283 -2.105 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.373 -1.131 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.636 0.286 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.282 -0.071 -1.834 1.00 0.00 H new ATOM 1058 N LYS A 514 11.606 -1.243 -5.158 1.00 0.00 N ATOM 1059 CA LYS A 514 10.547 -2.013 -5.800 1.00 0.00 C ATOM 1060 C LYS A 514 10.645 -3.489 -5.427 1.00 0.00 C ATOM 1061 O LYS A 514 9.641 -4.125 -5.109 1.00 0.00 O ATOM 1062 CB LYS A 514 10.623 -1.855 -7.320 1.00 0.00 C ATOM 1063 CG LYS A 514 10.237 -0.469 -7.807 1.00 0.00 C ATOM 1064 CD LYS A 514 11.424 0.480 -7.788 1.00 0.00 C ATOM 1065 CE LYS A 514 11.303 1.546 -8.865 1.00 0.00 C ATOM 1066 NZ LYS A 514 11.766 1.050 -10.191 1.00 0.00 N ATOM 0 H LYS A 514 12.105 -0.610 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 514 9.589 -1.630 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.638 -2.077 -7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 514 9.968 -2.591 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.840 -0.536 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.441 -0.070 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 514 11.495 0.956 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 514 12.345 -0.084 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 514 10.265 1.870 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 514 11.889 2.419 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 11.668 1.806 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 12.764 0.765 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 11.190 0.232 -10.476 1.00 0.00 H new ATOM 1080 N GLN A 515 11.860 -4.025 -5.466 1.00 0.00 N ATOM 1081 CA GLN A 515 12.088 -5.426 -5.131 1.00 0.00 C ATOM 1082 C GLN A 515 11.485 -5.765 -3.771 1.00 0.00 C ATOM 1083 O GLN A 515 10.624 -6.639 -3.663 1.00 0.00 O ATOM 1084 CB GLN A 515 13.586 -5.736 -5.130 1.00 0.00 C ATOM 1085 CG GLN A 515 14.273 -5.423 -6.449 1.00 0.00 C ATOM 1086 CD GLN A 515 13.757 -6.276 -7.592 1.00 0.00 C ATOM 1087 OE1 GLN A 515 12.939 -7.174 -7.391 1.00 0.00 O ATOM 1088 NE2 GLN A 515 14.234 -5.999 -8.800 1.00 0.00 N ATOM 0 H GLN A 515 12.702 -3.511 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 515 11.599 -6.039 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.066 -5.165 -4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.730 -6.791 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.125 -4.370 -6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.347 -5.578 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 515 14.911 -5.246 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 515 13.923 -6.540 -9.607 1.00 0.00 H new ATOM 1097 N ASP A 516 11.944 -5.069 -2.737 1.00 0.00 N ATOM 1098 CA ASP A 516 11.450 -5.296 -1.384 1.00 0.00 C ATOM 1099 C ASP A 516 9.925 -5.320 -1.359 1.00 0.00 C ATOM 1100 O ASP A 516 9.318 -6.140 -0.671 1.00 0.00 O ATOM 1101 CB ASP A 516 11.971 -4.212 -0.439 1.00 0.00 C ATOM 1102 CG ASP A 516 13.427 -4.417 -0.070 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.870 -5.584 -0.029 1.00 0.00 O ATOM 1104 OD2 ASP A 516 14.123 -3.410 0.180 1.00 0.00 O ATOM 0 H ASP A 516 12.657 -4.343 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 516 11.816 -6.266 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.852 -3.236 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.367 -4.204 0.468 1.00 0.00 H new ATOM 1109 N ALA A 517 9.312 -4.413 -2.113 1.00 0.00 N ATOM 1110 CA ALA A 517 7.858 -4.331 -2.179 1.00 0.00 C ATOM 1111 C ALA A 517 7.254 -5.649 -2.650 1.00 0.00 C ATOM 1112 O ALA A 517 6.354 -6.196 -2.012 1.00 0.00 O ATOM 1113 CB ALA A 517 7.434 -3.195 -3.098 1.00 0.00 C ATOM 0 H ALA A 517 9.800 -3.725 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 517 7.485 -4.129 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.346 -3.146 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.826 -2.252 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.826 -3.372 -4.100 1.00 0.00 H new ATOM 1119 N LYS A 518 7.754 -6.156 -3.772 1.00 0.00 N ATOM 1120 CA LYS A 518 7.264 -7.411 -4.330 1.00 0.00 C ATOM 1121 C LYS A 518 7.329 -8.529 -3.294 1.00 0.00 C ATOM 1122 O LYS A 518 6.351 -9.244 -3.076 1.00 0.00 O ATOM 1123 CB LYS A 518 8.082 -7.797 -5.565 1.00 0.00 C ATOM 1124 CG LYS A 518 7.542 -7.214 -6.859 1.00 0.00 C ATOM 1125 CD LYS A 518 7.983 -5.773 -7.048 1.00 0.00 C ATOM 1126 CE LYS A 518 9.340 -5.690 -7.731 1.00 0.00 C ATOM 1127 NZ LYS A 518 9.256 -6.046 -9.175 1.00 0.00 N ATOM 0 H LYS A 518 8.499 -5.717 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 518 6.223 -7.269 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.111 -7.464 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 518 8.107 -8.883 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 518 7.886 -7.814 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 518 6.453 -7.265 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 518 7.242 -5.240 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 518 8.031 -5.276 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 518 9.737 -4.680 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 518 10.040 -6.360 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 10.109 -5.709 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 9.184 -7.079 -9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 8.416 -5.599 -9.595 1.00 0.00 H new ATOM 1141 N LYS A 519 8.486 -8.673 -2.658 1.00 0.00 N ATOM 1142 CA LYS A 519 8.678 -9.702 -1.642 1.00 0.00 C ATOM 1143 C LYS A 519 7.565 -9.653 -0.601 1.00 0.00 C ATOM 1144 O LYS A 519 6.848 -10.632 -0.399 1.00 0.00 O ATOM 1145 CB LYS A 519 10.037 -9.527 -0.960 1.00 0.00 C ATOM 1146 CG LYS A 519 11.167 -10.262 -1.660 1.00 0.00 C ATOM 1147 CD LYS A 519 12.522 -9.677 -1.297 1.00 0.00 C ATOM 1148 CE LYS A 519 13.037 -10.237 0.020 1.00 0.00 C ATOM 1149 NZ LYS A 519 14.525 -10.272 0.064 1.00 0.00 N ATOM 0 H LYS A 519 9.306 -8.090 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 519 8.648 -10.674 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 519 10.278 -8.465 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.966 -9.881 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 519 11.140 -11.317 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 519 11.024 -10.208 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 519 13.237 -9.894 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.444 -8.592 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.664 -9.629 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.646 -11.244 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.836 -10.660 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.881 -10.873 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 14.898 -9.308 -0.048 1.00 0.00 H new ATOM 1163 N ALA A 520 7.425 -8.506 0.056 1.00 0.00 N ATOM 1164 CA ALA A 520 6.397 -8.329 1.074 1.00 0.00 C ATOM 1165 C ALA A 520 5.014 -8.657 0.520 1.00 0.00 C ATOM 1166 O ALA A 520 4.414 -9.669 0.883 1.00 0.00 O ATOM 1167 CB ALA A 520 6.428 -6.906 1.613 1.00 0.00 C ATOM 0 H ALA A 520 8.011 -7.686 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 520 6.606 -9.020 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.655 -6.788 2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.404 -6.705 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.247 -6.204 0.799 1.00 0.00 H new ATOM 1173 N PHE A 521 4.514 -7.795 -0.359 1.00 0.00 N ATOM 1174 CA PHE A 521 3.201 -7.993 -0.962 1.00 0.00 C ATOM 1175 C PHE A 521 2.979 -9.462 -1.311 1.00 0.00 C ATOM 1176 O PHE A 521 1.886 -9.996 -1.126 1.00 0.00 O ATOM 1177 CB PHE A 521 3.058 -7.131 -2.218 1.00 0.00 C ATOM 1178 CG PHE A 521 1.775 -7.367 -2.963 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.569 -8.548 -3.657 1.00 0.00 C ATOM 1180 CD2 PHE A 521 0.776 -6.407 -2.970 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.390 -8.767 -4.344 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.405 -6.620 -3.655 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.599 -7.803 -4.342 1.00 0.00 C ATOM 0 H PHE A 521 4.998 -6.953 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 521 2.446 -7.692 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.117 -6.080 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 521 3.898 -7.331 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.338 -9.306 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 521 0.922 -5.481 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.242 -9.692 -4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -1.175 -5.863 -3.653 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.522 -7.973 -4.876 1.00 0.00 H new ATOM 1193 N ASN A 522 4.023 -10.108 -1.819 1.00 0.00 N ATOM 1194 CA ASN A 522 3.943 -11.514 -2.196 1.00 0.00 C ATOM 1195 C ASN A 522 3.552 -12.377 -0.999 1.00 0.00 C ATOM 1196 O ASN A 522 2.672 -13.231 -1.098 1.00 0.00 O ATOM 1197 CB ASN A 522 5.281 -11.989 -2.765 1.00 0.00 C ATOM 1198 CG ASN A 522 5.185 -13.362 -3.401 1.00 0.00 C ATOM 1199 OD1 ASN A 522 5.019 -14.368 -2.712 1.00 0.00 O ATOM 1200 ND2 ASN A 522 5.288 -13.409 -4.725 1.00 0.00 N ATOM 0 H ASN A 522 4.935 -9.680 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 522 3.174 -11.615 -2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.632 -11.272 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 522 6.024 -12.012 -1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 522 5.230 -14.305 -5.210 1.00 0.00 H new ATOM 0 HD22 ASN A 522 5.425 -12.549 -5.257 1.00 0.00 H new ATOM 1207 N ALA A 523 4.212 -12.146 0.131 1.00 0.00 N ATOM 1208 CA ALA A 523 3.932 -12.899 1.347 1.00 0.00 C ATOM 1209 C ALA A 523 2.612 -12.461 1.972 1.00 0.00 C ATOM 1210 O ALA A 523 1.730 -13.284 2.224 1.00 0.00 O ATOM 1211 CB ALA A 523 5.070 -12.734 2.343 1.00 0.00 C ATOM 0 H ALA A 523 4.945 -11.443 0.230 1.00 0.00 H new ATOM 0 HA ALA A 523 3.846 -13.953 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 523 4.848 -13.302 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 523 5.996 -13.102 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.183 -11.680 2.595 1.00 0.00 H new ATOM 1217 N LEU A 524 2.482 -11.163 2.220 1.00 0.00 N ATOM 1218 CA LEU A 524 1.268 -10.616 2.817 1.00 0.00 C ATOM 1219 C LEU A 524 0.037 -11.012 2.008 1.00 0.00 C ATOM 1220 O LEU A 524 -0.876 -11.657 2.525 1.00 0.00 O ATOM 1221 CB LEU A 524 1.364 -9.092 2.908 1.00 0.00 C ATOM 1222 CG LEU A 524 2.153 -8.539 4.096 1.00 0.00 C ATOM 1223 CD1 LEU A 524 1.467 -8.896 5.405 1.00 0.00 C ATOM 1224 CD2 LEU A 524 3.581 -9.065 4.079 1.00 0.00 C ATOM 0 H LEU A 524 3.202 -10.469 2.017 1.00 0.00 H new ATOM 0 HA LEU A 524 1.168 -11.029 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.820 -8.721 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.353 -8.686 2.948 1.00 0.00 H new ATOM 0 HG LEU A 524 2.186 -7.453 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 524 2.043 -8.494 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 524 0.464 -8.470 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.402 -9.980 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 524 4.128 -8.661 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 524 3.569 -10.153 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 524 4.071 -8.758 3.155 1.00 0.00 H new ATOM 1236 N CYS A 525 0.021 -10.625 0.737 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.097 -10.941 -0.144 1.00 0.00 C ATOM 1238 C CYS A 525 -1.574 -12.373 0.075 1.00 0.00 C ATOM 1239 O CYS A 525 -2.758 -12.616 0.309 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.693 -10.743 -1.606 1.00 0.00 C ATOM 1241 SG CYS A 525 -1.998 -11.139 -2.792 1.00 0.00 S ATOM 0 H CYS A 525 0.770 -10.092 0.294 1.00 0.00 H new ATOM 0 HA CYS A 525 -1.917 -10.264 0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.388 -9.707 -1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.177 -11.364 -1.819 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.562 -10.938 -4.000 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.644 -13.320 -0.005 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.969 -14.729 0.183 1.00 0.00 C ATOM 1249 C HIS A 526 -2.037 -14.901 1.258 1.00 0.00 C ATOM 1250 O HIS A 526 -3.096 -15.478 1.009 1.00 0.00 O ATOM 1251 CB HIS A 526 0.285 -15.517 0.562 1.00 0.00 C ATOM 1252 CG HIS A 526 0.074 -17.000 0.595 1.00 0.00 C ATOM 1253 ND1 HIS A 526 -0.752 -17.760 1.351 1.00 0.00 N flip ATOM 1254 CD2 HIS A 526 0.759 -17.876 -0.220 1.00 0.00 C flip ATOM 1255 CE1 HIS A 526 -0.553 -19.068 0.983 1.00 0.00 C flip ATOM 1256 NE2 HIS A 526 0.363 -19.110 0.032 1.00 0.00 N flip ATOM 0 H HIS A 526 0.341 -13.137 -0.199 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.361 -15.115 -0.758 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.078 -15.287 -0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.630 -15.186 1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 526 1.504 -17.596 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 526 -1.062 -19.923 1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 526 0.706 -19.953 -0.429 1.00 0.00 H new ATOM 1264 N SER A 527 -1.752 -14.398 2.455 1.00 0.00 N ATOM 1265 CA SER A 527 -2.687 -14.500 3.570 1.00 0.00 C ATOM 1266 C SER A 527 -2.232 -13.635 4.741 1.00 0.00 C ATOM 1267 O SER A 527 -1.188 -13.886 5.345 1.00 0.00 O ATOM 1268 CB SER A 527 -2.821 -15.956 4.018 1.00 0.00 C ATOM 1269 OG SER A 527 -1.558 -16.506 4.352 1.00 0.00 O ATOM 0 H SER A 527 -0.881 -13.916 2.678 1.00 0.00 H new ATOM 0 HA SER A 527 -3.659 -14.140 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.486 -16.015 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.278 -16.544 3.222 1.00 0.00 H new ATOM 0 HG SER A 527 -1.028 -15.838 4.834 1.00 0.00 H new ATOM 1275 N THR A 528 -3.022 -12.614 5.058 1.00 0.00 N ATOM 1276 CA THR A 528 -2.702 -11.711 6.155 1.00 0.00 C ATOM 1277 C THR A 528 -3.855 -11.622 7.149 1.00 0.00 C ATOM 1278 O THR A 528 -4.876 -10.991 6.875 1.00 0.00 O ATOM 1279 CB THR A 528 -2.372 -10.297 5.641 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.399 -10.371 4.593 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.846 -9.420 6.767 1.00 0.00 C ATOM 0 H THR A 528 -3.889 -12.392 4.569 1.00 0.00 H new ATOM 0 HA THR A 528 -1.825 -12.121 6.656 1.00 0.00 H new ATOM 0 HB THR A 528 -3.289 -9.853 5.254 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.748 -10.922 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.620 -8.427 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.601 -9.341 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.940 -9.863 7.180 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.684 -12.257 8.304 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.711 -12.248 9.340 1.00 0.00 C ATOM 1291 C HIS A 529 -4.387 -11.218 10.418 1.00 0.00 C ATOM 1292 O HIS A 529 -3.358 -11.310 11.089 1.00 0.00 O ATOM 1293 CB HIS A 529 -4.845 -13.635 9.968 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.468 -14.648 9.056 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.222 -14.691 7.700 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -6.330 -15.659 9.314 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.908 -15.685 7.163 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.588 -16.288 8.121 1.00 0.00 N ATOM 0 H HIS A 529 -2.845 -12.784 8.546 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.658 -11.975 8.875 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -3.857 -13.986 10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.444 -13.558 10.875 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -6.739 -15.922 10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -5.912 -15.958 6.118 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -7.205 -17.091 7.995 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.269 -10.238 10.577 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.076 -9.190 11.574 1.00 0.00 C ATOM 1308 C LEU A 530 -6.334 -9.000 12.415 1.00 0.00 C ATOM 1309 O LEU A 530 -7.409 -8.711 11.888 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.702 -7.873 10.891 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.065 -6.810 11.787 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.655 -7.222 12.183 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.051 -5.460 11.085 1.00 0.00 C ATOM 0 H LEU A 530 -6.124 -10.147 10.029 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.263 -9.495 12.233 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.013 -8.093 10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.602 -7.451 10.443 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.663 -6.719 12.694 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.217 -6.454 12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.691 -8.167 12.725 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.046 -7.341 11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.594 -4.716 11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.476 -5.536 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.073 -5.160 10.852 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.193 -9.163 13.726 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.317 -9.010 14.641 1.00 0.00 C ATOM 1327 C TYR A 531 -8.502 -9.862 14.196 1.00 0.00 C ATOM 1328 O TYR A 531 -9.629 -9.378 14.100 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.736 -7.541 14.728 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.652 -6.634 15.264 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.295 -6.663 16.606 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -5.984 -5.747 14.428 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.306 -5.835 17.101 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -4.993 -4.917 14.913 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.658 -4.964 16.250 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.671 -4.138 16.738 1.00 0.00 O ATOM 0 H TYR A 531 -5.311 -9.401 14.179 1.00 0.00 H new ATOM 0 HA TYR A 531 -6.998 -9.349 15.627 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.030 -7.196 13.737 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.615 -7.460 15.367 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.800 -7.345 17.274 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.245 -5.706 13.381 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.042 -5.869 18.148 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.483 -4.235 14.249 1.00 0.00 H new ATOM 0 HH TYR A 531 -2.858 -4.249 16.203 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.237 -11.137 13.925 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.289 -12.038 13.493 1.00 0.00 C ATOM 1348 C GLY A 532 -9.977 -11.563 12.229 1.00 0.00 C ATOM 1349 O GLY A 532 -11.186 -11.736 12.069 1.00 0.00 O ATOM 0 H GLY A 532 -7.312 -11.561 13.997 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.867 -13.029 13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.027 -12.138 14.289 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.208 -10.959 11.330 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.751 -10.454 10.075 1.00 0.00 C ATOM 1355 C ARG A 533 -8.780 -10.701 8.923 1.00 0.00 C ATOM 1356 O ARG A 533 -7.573 -10.820 9.132 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.053 -8.959 10.190 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.082 -8.626 11.258 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.828 -7.342 10.932 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.084 -7.236 11.669 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.171 -6.770 12.910 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -12.081 -6.369 13.549 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.351 -6.705 13.515 1.00 0.00 N ATOM 0 H ARG A 533 -8.206 -10.807 11.447 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.677 -10.990 9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.128 -8.426 10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.410 -8.594 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.792 -9.448 11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.586 -8.525 12.223 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.196 -6.486 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.031 -7.303 9.862 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.942 -7.536 11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -11.172 -6.418 13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -12.151 -6.012 14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.192 -7.013 13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -14.417 -6.347 14.468 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.316 -10.775 7.710 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.498 -11.009 6.526 1.00 0.00 C ATOM 1379 C ARG A 534 -8.282 -9.713 5.750 1.00 0.00 C ATOM 1380 O ARG A 534 -9.237 -9.079 5.301 1.00 0.00 O ATOM 1381 CB ARG A 534 -9.156 -12.053 5.623 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.458 -12.227 4.284 1.00 0.00 C ATOM 1383 CD ARG A 534 -7.151 -12.991 4.432 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.818 -13.744 3.225 1.00 0.00 N ATOM 1385 CZ ARG A 534 -7.555 -14.743 2.755 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -8.663 -15.108 3.386 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -7.186 -15.380 1.651 1.00 0.00 N ATOM 0 H ARG A 534 -10.313 -10.676 7.521 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.528 -11.382 6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.172 -13.011 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -10.193 -11.768 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -9.116 -12.759 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.261 -11.249 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.346 -12.292 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.225 -13.675 5.277 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.972 -13.488 2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.951 -14.621 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -9.227 -15.876 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -6.335 -15.102 1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -7.753 -16.147 1.291 1.00 0.00 H new ATOM 1401 N LEU A 535 -7.021 -9.325 5.596 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.678 -8.104 4.875 1.00 0.00 C ATOM 1403 C LEU A 535 -6.555 -8.372 3.379 1.00 0.00 C ATOM 1404 O LEU A 535 -6.270 -9.495 2.960 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.369 -7.522 5.410 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.383 -7.068 6.870 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.977 -6.721 7.335 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.315 -5.878 7.049 1.00 0.00 C ATOM 0 H LEU A 535 -6.219 -9.838 5.961 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.479 -7.382 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.586 -8.271 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.092 -6.670 4.788 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.753 -7.890 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.007 -6.400 8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.337 -7.598 7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.578 -5.915 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.313 -5.568 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -5.974 -5.052 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.326 -6.161 6.757 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.769 -7.334 2.577 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.678 -7.457 1.127 1.00 0.00 C ATOM 1422 C VAL A 536 -5.563 -6.579 0.570 1.00 0.00 C ATOM 1423 O VAL A 536 -5.487 -5.387 0.870 1.00 0.00 O ATOM 1424 CB VAL A 536 -8.006 -7.073 0.447 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.955 -7.387 -1.040 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.171 -7.790 1.112 1.00 0.00 C ATOM 0 H VAL A 536 -7.007 -6.399 2.907 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.456 -8.502 0.911 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.156 -6.000 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.902 -7.109 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.145 -6.824 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.782 -8.454 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.101 -7.507 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.030 -8.868 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.218 -7.510 2.164 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.699 -7.176 -0.244 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.586 -6.449 -0.845 1.00 0.00 C ATOM 1438 C LEU A 537 -3.797 -6.272 -2.345 1.00 0.00 C ATOM 1439 O LEU A 537 -4.016 -7.243 -3.068 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.271 -7.185 -0.586 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.533 -6.812 0.700 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.016 -7.669 1.860 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -0.030 -6.959 0.515 1.00 0.00 C ATOM 0 H LEU A 537 -4.748 -8.161 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.539 -5.462 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.475 -8.256 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.604 -7.003 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.749 -5.769 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.480 -7.390 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.085 -7.513 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.830 -8.720 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.479 -6.689 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.206 -7.992 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.304 -6.301 -0.287 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.728 -5.027 -2.805 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.911 -4.725 -4.220 1.00 0.00 C ATOM 1457 C GLU A 538 -2.956 -3.622 -4.668 1.00 0.00 C ATOM 1458 O GLU A 538 -2.810 -2.602 -3.995 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.357 -4.304 -4.492 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.335 -5.467 -4.513 1.00 0.00 C ATOM 1461 CD GLU A 538 -6.478 -6.084 -5.891 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -5.460 -6.555 -6.439 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -7.609 -6.095 -6.421 1.00 0.00 O ATOM 0 H GLU A 538 -3.547 -4.212 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.690 -5.628 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.669 -3.591 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.402 -3.785 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.001 -6.230 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -7.311 -5.123 -4.170 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.309 -3.836 -5.808 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.367 -2.861 -6.346 1.00 0.00 C ATOM 1472 C TRP A 539 -2.088 -1.590 -6.780 1.00 0.00 C ATOM 1473 O TRP A 539 -2.907 -1.612 -7.698 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.604 -3.458 -7.530 1.00 0.00 C ATOM 1475 CG TRP A 539 0.269 -4.616 -7.150 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.060 -5.941 -7.199 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.614 -4.552 -6.663 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.999 -6.704 -6.771 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.038 -5.876 -6.438 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.501 -3.506 -6.398 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.310 -6.178 -5.958 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.763 -3.807 -5.922 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.158 -5.134 -5.707 1.00 0.00 C ATOM 0 H TRP A 539 -2.419 -4.675 -6.377 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.659 -2.604 -5.558 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.318 -3.783 -8.287 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.011 -2.682 -7.985 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.012 -6.331 -7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.010 -7.722 -6.711 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.206 -2.480 -6.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.616 -7.200 -5.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.456 -3.006 -5.712 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.152 -5.337 -5.336 1.00 0.00 H new ATOM 1494 N ALA A 540 -1.779 -0.482 -6.113 1.00 0.00 N ATOM 1495 CA ALA A 540 -2.396 0.799 -6.432 1.00 0.00 C ATOM 1496 C ALA A 540 -2.258 1.121 -7.916 1.00 0.00 C ATOM 1497 O ALA A 540 -1.252 0.786 -8.543 1.00 0.00 O ATOM 1498 CB ALA A 540 -1.780 1.906 -5.590 1.00 0.00 C ATOM 0 H ALA A 540 -1.105 -0.447 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 540 -3.459 0.730 -6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -2.251 2.857 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -1.937 1.689 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -0.711 1.966 -5.794 1.00 0.00 H new ATOM 1504 N ASP A 541 -3.273 1.772 -8.473 1.00 0.00 N ATOM 1505 CA ASP A 541 -3.264 2.140 -9.884 1.00 0.00 C ATOM 1506 C ASP A 541 -2.616 3.506 -10.086 1.00 0.00 C ATOM 1507 O ASP A 541 -2.992 4.484 -9.440 1.00 0.00 O ATOM 1508 CB ASP A 541 -4.689 2.151 -10.439 1.00 0.00 C ATOM 1509 CG ASP A 541 -5.630 2.995 -9.602 1.00 0.00 C ATOM 1510 OD1 ASP A 541 -5.963 2.572 -8.476 1.00 0.00 O ATOM 1511 OD2 ASP A 541 -6.034 4.079 -10.074 1.00 0.00 O ATOM 0 H ASP A 541 -4.113 2.056 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 541 -2.677 1.397 -10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -4.675 2.532 -11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -5.066 1.129 -10.485 1.00 0.00 H new ATOM 1516 N SER A 542 -1.639 3.565 -10.985 1.00 0.00 N ATOM 1517 CA SER A 542 -0.935 4.810 -11.268 1.00 0.00 C ATOM 1518 C SER A 542 -1.359 5.379 -12.619 1.00 0.00 C ATOM 1519 O SER A 542 -1.514 4.643 -13.592 1.00 0.00 O ATOM 1520 CB SER A 542 0.578 4.580 -11.251 1.00 0.00 C ATOM 1521 OG SER A 542 1.279 5.783 -11.514 1.00 0.00 O ATOM 0 H SER A 542 -1.317 2.765 -11.530 1.00 0.00 H new ATOM 0 HA SER A 542 -1.195 5.530 -10.492 1.00 0.00 H new ATOM 0 HB2 SER A 542 0.878 4.185 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 542 0.844 3.830 -11.996 1.00 0.00 H new ATOM 0 HG SER A 542 2.243 5.610 -11.496 1.00 0.00 H new ATOM 1527 N GLU A 543 -1.545 6.694 -12.667 1.00 0.00 N ATOM 1528 CA GLU A 543 -1.952 7.363 -13.898 1.00 0.00 C ATOM 1529 C GLU A 543 -0.759 7.565 -14.828 1.00 0.00 C ATOM 1530 O GLU A 543 0.269 8.111 -14.427 1.00 0.00 O ATOM 1531 CB GLU A 543 -2.600 8.712 -13.581 1.00 0.00 C ATOM 1532 CG GLU A 543 -3.566 9.190 -14.653 1.00 0.00 C ATOM 1533 CD GLU A 543 -2.855 9.753 -15.868 1.00 0.00 C ATOM 1534 OE1 GLU A 543 -2.188 10.800 -15.733 1.00 0.00 O ATOM 1535 OE2 GLU A 543 -2.967 9.147 -16.955 1.00 0.00 O ATOM 0 H GLU A 543 -1.421 7.317 -11.869 1.00 0.00 H new ATOM 0 HA GLU A 543 -2.680 6.728 -14.403 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -3.132 8.636 -12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -1.818 9.459 -13.449 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.202 8.360 -14.961 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -4.220 9.954 -14.233 1.00 0.00 H new ATOM 1542 N VAL A 544 -0.904 7.119 -16.072 1.00 0.00 N ATOM 1543 CA VAL A 544 0.160 7.251 -17.060 1.00 0.00 C ATOM 1544 C VAL A 544 0.460 8.717 -17.352 1.00 0.00 C ATOM 1545 O VAL A 544 -0.451 9.539 -17.465 1.00 0.00 O ATOM 1546 CB VAL A 544 -0.205 6.541 -18.376 1.00 0.00 C ATOM 1547 CG1 VAL A 544 -0.096 5.032 -18.217 1.00 0.00 C ATOM 1548 CG2 VAL A 544 -1.603 6.938 -18.826 1.00 0.00 C ATOM 0 H VAL A 544 -1.748 6.663 -16.419 1.00 0.00 H new ATOM 0 HA VAL A 544 1.046 6.779 -16.636 1.00 0.00 H new ATOM 0 HB VAL A 544 0.502 6.853 -19.145 1.00 0.00 H new ATOM 0 HG11 VAL A 544 -0.358 4.547 -19.157 1.00 0.00 H new ATOM 0 HG12 VAL A 544 0.926 4.768 -17.945 1.00 0.00 H new ATOM 0 HG13 VAL A 544 -0.778 4.698 -17.435 1.00 0.00 H new ATOM 0 HG21 VAL A 544 -1.844 6.427 -19.758 1.00 0.00 H new ATOM 0 HG22 VAL A 544 -2.325 6.656 -18.060 1.00 0.00 H new ATOM 0 HG23 VAL A 544 -1.642 8.016 -18.983 1.00 0.00 H new ATOM 1558 N THR A 545 1.744 9.040 -17.475 1.00 0.00 N ATOM 1559 CA THR A 545 2.165 10.407 -17.755 1.00 0.00 C ATOM 1560 C THR A 545 2.604 10.562 -19.206 1.00 0.00 C ATOM 1561 O THR A 545 2.774 9.575 -19.922 1.00 0.00 O ATOM 1562 CB THR A 545 3.319 10.839 -16.831 1.00 0.00 C ATOM 1563 OG1 THR A 545 4.446 9.975 -17.019 1.00 0.00 O ATOM 1564 CG2 THR A 545 2.887 10.807 -15.373 1.00 0.00 C ATOM 0 H THR A 545 2.510 8.373 -17.385 1.00 0.00 H new ATOM 0 HA THR A 545 1.302 11.047 -17.570 1.00 0.00 H new ATOM 0 HB THR A 545 3.598 11.861 -17.088 1.00 0.00 H new ATOM 0 HG1 THR A 545 4.880 9.810 -16.156 1.00 0.00 H new ATOM 0 HG21 THR A 545 3.719 11.116 -14.740 1.00 0.00 H new ATOM 0 HG22 THR A 545 2.048 11.487 -15.227 1.00 0.00 H new ATOM 0 HG23 THR A 545 2.584 9.795 -15.105 1.00 0.00 H new ATOM 1572 N VAL A 546 2.788 11.806 -19.635 1.00 0.00 N ATOM 1573 CA VAL A 546 3.210 12.090 -21.001 1.00 0.00 C ATOM 1574 C VAL A 546 4.685 12.475 -21.052 1.00 0.00 C ATOM 1575 O VAL A 546 5.260 12.897 -20.049 1.00 0.00 O ATOM 1576 CB VAL A 546 2.373 13.223 -21.623 1.00 0.00 C ATOM 1577 CG1 VAL A 546 0.905 12.831 -21.685 1.00 0.00 C ATOM 1578 CG2 VAL A 546 2.556 14.513 -20.838 1.00 0.00 C ATOM 0 H VAL A 546 2.651 12.634 -19.056 1.00 0.00 H new ATOM 0 HA VAL A 546 3.056 11.177 -21.576 1.00 0.00 H new ATOM 0 HB VAL A 546 2.722 13.392 -22.642 1.00 0.00 H new ATOM 0 HG11 VAL A 546 0.330 13.644 -22.127 1.00 0.00 H new ATOM 0 HG12 VAL A 546 0.793 11.934 -22.294 1.00 0.00 H new ATOM 0 HG13 VAL A 546 0.538 12.633 -20.678 1.00 0.00 H new ATOM 0 HG21 VAL A 546 1.957 15.303 -21.292 1.00 0.00 H new ATOM 0 HG22 VAL A 546 2.235 14.361 -19.808 1.00 0.00 H new ATOM 0 HG23 VAL A 546 3.607 14.801 -20.852 1.00 0.00 H new ATOM 1588 N GLN A 547 5.289 12.327 -22.226 1.00 0.00 N ATOM 1589 CA GLN A 547 6.697 12.659 -22.407 1.00 0.00 C ATOM 1590 C GLN A 547 6.894 13.547 -23.631 1.00 0.00 C ATOM 1591 O GLN A 547 6.893 13.068 -24.765 1.00 0.00 O ATOM 1592 CB GLN A 547 7.530 11.384 -22.548 1.00 0.00 C ATOM 1593 CG GLN A 547 9.007 11.646 -22.797 1.00 0.00 C ATOM 1594 CD GLN A 547 9.767 10.390 -23.177 1.00 0.00 C ATOM 1595 OE1 GLN A 547 9.350 9.278 -22.854 1.00 0.00 O ATOM 1596 NE2 GLN A 547 10.888 10.563 -23.867 1.00 0.00 N ATOM 0 H GLN A 547 4.826 11.980 -23.066 1.00 0.00 H new ATOM 0 HA GLN A 547 7.031 13.207 -21.526 1.00 0.00 H new ATOM 0 HB2 GLN A 547 7.423 10.788 -21.642 1.00 0.00 H new ATOM 0 HB3 GLN A 547 7.132 10.789 -23.370 1.00 0.00 H new ATOM 0 HG2 GLN A 547 9.112 12.384 -23.592 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.452 12.078 -21.900 1.00 0.00 H new ATOM 0 HE21 GLN A 547 11.195 11.504 -24.113 1.00 0.00 H new ATOM 0 HE22 GLN A 547 11.442 9.755 -24.151 1.00 0.00 H new ATOM 1605 N SER A 548 7.062 14.844 -23.395 1.00 0.00 N ATOM 1606 CA SER A 548 7.256 15.800 -24.478 1.00 0.00 C ATOM 1607 C SER A 548 8.149 16.954 -24.032 1.00 0.00 C ATOM 1608 O SER A 548 8.069 17.412 -22.893 1.00 0.00 O ATOM 1609 CB SER A 548 5.907 16.341 -24.957 1.00 0.00 C ATOM 1610 OG SER A 548 5.289 17.130 -23.955 1.00 0.00 O ATOM 0 H SER A 548 7.068 15.257 -22.462 1.00 0.00 H new ATOM 0 HA SER A 548 7.746 15.282 -25.302 1.00 0.00 H new ATOM 0 HB2 SER A 548 6.050 16.938 -25.858 1.00 0.00 H new ATOM 0 HB3 SER A 548 5.253 15.511 -25.225 1.00 0.00 H new ATOM 0 HG SER A 548 4.430 17.465 -24.286 1.00 0.00 H new ATOM 1616 N GLY A 549 9.002 17.419 -24.940 1.00 0.00 N ATOM 1617 CA GLY A 549 9.899 18.515 -24.623 1.00 0.00 C ATOM 1618 C GLY A 549 11.275 18.333 -25.233 1.00 0.00 C ATOM 1619 O GLY A 549 12.245 18.012 -24.545 1.00 0.00 O ATOM 0 H GLY A 549 9.088 17.056 -25.889 1.00 0.00 H new ATOM 0 HA2 GLY A 549 9.467 19.449 -24.981 1.00 0.00 H new ATOM 0 HA3 GLY A 549 9.993 18.602 -23.541 1.00 0.00 H new ATOM 1623 N PRO A 550 11.372 18.539 -26.554 1.00 0.00 N ATOM 1624 CA PRO A 550 12.635 18.400 -27.286 1.00 0.00 C ATOM 1625 C PRO A 550 13.629 19.504 -26.942 1.00 0.00 C ATOM 1626 O PRO A 550 13.293 20.458 -26.240 1.00 0.00 O ATOM 1627 CB PRO A 550 12.208 18.503 -28.753 1.00 0.00 C ATOM 1628 CG PRO A 550 10.942 19.288 -28.724 1.00 0.00 C ATOM 1629 CD PRO A 550 10.258 18.923 -27.436 1.00 0.00 C ATOM 0 HA PRO A 550 13.148 17.470 -27.041 1.00 0.00 H new ATOM 0 HB2 PRO A 550 12.969 19.001 -29.353 1.00 0.00 H new ATOM 0 HB3 PRO A 550 12.053 17.517 -29.190 1.00 0.00 H new ATOM 0 HG2 PRO A 550 11.145 20.358 -28.768 1.00 0.00 H new ATOM 0 HG3 PRO A 550 10.314 19.047 -29.581 1.00 0.00 H new ATOM 0 HD2 PRO A 550 9.694 19.762 -27.029 1.00 0.00 H new ATOM 0 HD3 PRO A 550 9.554 18.103 -27.574 1.00 0.00 H new ATOM 1637 N SER A 551 14.854 19.368 -27.441 1.00 0.00 N ATOM 1638 CA SER A 551 15.898 20.353 -27.183 1.00 0.00 C ATOM 1639 C SER A 551 16.827 20.487 -28.385 1.00 0.00 C ATOM 1640 O SER A 551 17.163 19.499 -29.037 1.00 0.00 O ATOM 1641 CB SER A 551 16.703 19.961 -25.942 1.00 0.00 C ATOM 1642 OG SER A 551 17.223 18.648 -26.066 1.00 0.00 O ATOM 0 H SER A 551 15.147 18.586 -28.026 1.00 0.00 H new ATOM 0 HA SER A 551 15.419 21.316 -27.007 1.00 0.00 H new ATOM 0 HB2 SER A 551 17.520 20.667 -25.797 1.00 0.00 H new ATOM 0 HB3 SER A 551 16.068 20.022 -25.058 1.00 0.00 H new ATOM 0 HG SER A 551 18.094 18.682 -26.515 1.00 0.00 H new ATOM 1648 N SER A 552 17.239 21.718 -28.672 1.00 0.00 N ATOM 1649 CA SER A 552 18.126 21.984 -29.798 1.00 0.00 C ATOM 1650 C SER A 552 19.367 21.099 -29.733 1.00 0.00 C ATOM 1651 O SER A 552 19.752 20.476 -30.722 1.00 0.00 O ATOM 1652 CB SER A 552 18.537 23.457 -29.814 1.00 0.00 C ATOM 1653 OG SER A 552 19.090 23.846 -28.569 1.00 0.00 O ATOM 0 H SER A 552 16.973 22.547 -28.140 1.00 0.00 H new ATOM 0 HA SER A 552 17.585 21.755 -30.716 1.00 0.00 H new ATOM 0 HB2 SER A 552 19.265 23.626 -30.607 1.00 0.00 H new ATOM 0 HB3 SER A 552 17.670 24.077 -30.040 1.00 0.00 H new ATOM 0 HG SER A 552 19.346 24.791 -28.606 1.00 0.00 H new ATOM 1659 N GLY A 553 19.989 21.048 -28.559 1.00 0.00 N ATOM 1660 CA GLY A 553 21.179 20.237 -28.384 1.00 0.00 C ATOM 1661 C GLY A 553 20.985 19.133 -27.364 1.00 0.00 C ATOM 1662 O GLY A 553 20.055 18.334 -27.474 1.00 0.00 O ATOM 0 H GLY A 553 19.689 21.554 -27.726 1.00 0.00 H new ATOM 0 HA2 GLY A 553 21.459 19.797 -29.341 1.00 0.00 H new ATOM 0 HA3 GLY A 553 22.006 20.874 -28.072 1.00 0.00 H new TER 1666 GLY A 553