USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 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 634 SER OG : rot -100:sc= 0.289 USER MOD Set 1.2: A 637 ASN : amide:sc= 0.821 K(o=1.1,f=0.071) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= -0.176 USER MOD Set 2.2: A 596 ASN : amide:sc= -0.108 K(o=-0.9,f=-2.1) USER MOD Set 2.3: A 599 MET CE :methyl -168:sc= -0.613 (180deg=-0.631) USER MOD Set 3.1: A 542 MET CE :methyl -150:sc= -0.668 (180deg=-0.727) USER MOD Set 3.2: A 581 MET CE :methyl 166:sc= -0.774 (180deg=-0.796) USER MOD Single : A 535 CYS SG : rot 180:sc=-0.00427 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 88:sc= 1.35 USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 554 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 556 MET CE :methyl -144:sc= -0.785 (180deg=-1.45) USER MOD Single : A 558 THR OG1 : rot -84:sc= 1.17 USER MOD Single : A 559 LYS NZ :NH3+ 166:sc= 0.407 (180deg=0.317) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.2) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc=-0.00865 USER MOD Single : A 579 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0472) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 585 GLN : amide:sc= 0.7 K(o=0.7,f=-2.8!) USER MOD Single : A 586 HIS : no HE2:sc= 1.02 K(o=1,f=-3.2!) USER MOD Single : A 590 SER OG : rot 146:sc= 1.23 USER MOD Single : A 594 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 48:sc= 0.415 USER MOD Single : A 605 SER OG : rot 98:sc= 1.01 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 55:sc= 0.469 USER MOD Single : A 614 THR OG1 : rot 180:sc=0.000473 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot -160:sc= -0.364 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot -2:sc= 0.42 USER MOD Single : A 639 ASN : amide:sc= 0.972 K(o=0.97,f=-0.025) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl -171:sc= -0.28 (180deg=-0.402) USER MOD Single : A 648 MET CE :methyl -176:sc=-0.00397 (180deg=-0.0342) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 4.913 12.507 4.092 1.00 2.16 N ATOM 16 CA CYS A 535 4.649 11.204 3.470 1.00 1.96 C ATOM 17 C CYS A 535 5.848 10.238 3.570 1.00 1.59 C ATOM 18 O CYS A 535 5.661 9.018 3.628 1.00 1.43 O ATOM 19 CB CYS A 535 4.198 11.451 2.021 1.00 2.84 C ATOM 20 SG CYS A 535 5.570 12.094 1.019 1.00 4.00 S ATOM 0 HA CYS A 535 3.852 10.697 4.015 1.00 1.96 H new ATOM 0 HB2 CYS A 535 3.829 10.522 1.587 1.00 2.84 H new ATOM 0 HB3 CYS A 535 3.370 12.159 2.009 1.00 2.84 H new ATOM 0 HG CYS A 535 5.162 12.291 -0.199 1.00 4.00 H new ATOM 26 N ARG A 536 7.080 10.766 3.666 1.00 1.64 N ATOM 27 CA ARG A 536 8.338 9.990 3.735 1.00 1.55 C ATOM 28 C ARG A 536 8.446 9.062 4.946 1.00 1.51 C ATOM 29 O ARG A 536 9.080 8.013 4.848 1.00 1.54 O ATOM 30 CB ARG A 536 9.536 10.953 3.631 1.00 1.92 C ATOM 31 CG ARG A 536 9.699 11.874 4.850 1.00 2.86 C ATOM 32 CD ARG A 536 10.756 12.948 4.587 1.00 3.25 C ATOM 33 NE ARG A 536 10.932 13.788 5.779 1.00 4.08 N ATOM 34 CZ ARG A 536 11.275 15.059 5.823 1.00 5.03 C ATOM 35 NH1 ARG A 536 11.493 15.786 4.765 1.00 5.67 N ATOM 36 NH2 ARG A 536 11.411 15.630 6.976 1.00 5.91 N ATOM 0 H ARG A 536 7.237 11.773 3.699 1.00 1.64 H new ATOM 0 HA ARG A 536 8.340 9.309 2.884 1.00 1.55 H new ATOM 0 HB2 ARG A 536 10.448 10.371 3.503 1.00 1.92 H new ATOM 0 HB3 ARG A 536 9.421 11.566 2.737 1.00 1.92 H new ATOM 0 HG2 ARG A 536 8.745 12.347 5.083 1.00 2.86 H new ATOM 0 HG3 ARG A 536 9.984 11.284 5.721 1.00 2.86 H new ATOM 0 HD2 ARG A 536 11.703 12.479 4.320 1.00 3.25 H new ATOM 0 HD3 ARG A 536 10.456 13.564 3.740 1.00 3.25 H new ATOM 0 HE ARG A 536 10.770 13.334 6.678 1.00 4.08 H new ATOM 0 HH11 ARG A 536 11.401 15.375 3.836 1.00 5.67 H new ATOM 0 HH12 ARG A 536 11.756 16.766 4.865 1.00 5.67 H new ATOM 0 HH21 ARG A 536 11.253 15.097 7.831 1.00 5.91 H new ATOM 0 HH22 ARG A 536 11.676 16.613 7.030 1.00 5.91 H new ATOM 50 N LYS A 537 7.770 9.385 6.055 1.00 1.62 N ATOM 51 CA LYS A 537 7.654 8.503 7.232 1.00 1.60 C ATOM 52 C LYS A 537 6.770 7.276 6.982 1.00 1.32 C ATOM 53 O LYS A 537 6.938 6.245 7.626 1.00 1.35 O ATOM 54 CB LYS A 537 7.185 9.337 8.438 1.00 1.87 C ATOM 55 CG LYS A 537 5.688 9.716 8.457 1.00 3.39 C ATOM 56 CD LYS A 537 4.845 8.811 9.372 1.00 4.07 C ATOM 57 CE LYS A 537 5.102 9.151 10.846 1.00 4.26 C ATOM 58 NZ LYS A 537 4.381 8.243 11.764 1.00 4.86 N ATOM 0 H LYS A 537 7.282 10.274 6.166 1.00 1.62 H new ATOM 0 HA LYS A 537 8.638 8.087 7.450 1.00 1.60 H new ATOM 0 HB2 LYS A 537 7.411 8.782 9.348 1.00 1.87 H new ATOM 0 HB3 LYS A 537 7.772 10.255 8.471 1.00 1.87 H new ATOM 0 HG2 LYS A 537 5.586 10.750 8.786 1.00 3.39 H new ATOM 0 HG3 LYS A 537 5.294 9.664 7.442 1.00 3.39 H new ATOM 0 HD2 LYS A 537 3.787 8.936 9.143 1.00 4.07 H new ATOM 0 HD3 LYS A 537 5.090 7.765 9.185 1.00 4.07 H new ATOM 0 HE2 LYS A 537 6.172 9.095 11.049 1.00 4.26 H new ATOM 0 HE3 LYS A 537 4.794 10.179 11.039 1.00 4.26 H new ATOM 0 HZ1 LYS A 537 4.585 8.511 12.748 1.00 4.86 H new ATOM 0 HZ2 LYS A 537 3.358 8.314 11.590 1.00 4.86 H new ATOM 0 HZ3 LYS A 537 4.693 7.264 11.600 1.00 4.86 H new ATOM 72 N LEU A 538 5.831 7.379 6.041 1.00 1.19 N ATOM 73 CA LEU A 538 4.772 6.390 5.813 1.00 1.16 C ATOM 74 C LEU A 538 5.232 5.287 4.848 1.00 1.07 C ATOM 75 O LEU A 538 5.087 4.108 5.157 1.00 1.15 O ATOM 76 CB LEU A 538 3.489 7.108 5.333 1.00 1.28 C ATOM 77 CG LEU A 538 2.156 6.506 5.827 1.00 1.62 C ATOM 78 CD1 LEU A 538 2.042 4.997 5.632 1.00 3.03 C ATOM 79 CD2 LEU A 538 1.912 6.819 7.306 1.00 1.83 C ATOM 0 H LEU A 538 5.783 8.171 5.400 1.00 1.19 H new ATOM 0 HA LEU A 538 4.542 5.886 6.752 1.00 1.16 H new ATOM 0 HB2 LEU A 538 3.536 8.149 5.653 1.00 1.28 H new ATOM 0 HB3 LEU A 538 3.483 7.110 4.243 1.00 1.28 H new ATOM 0 HG LEU A 538 1.399 6.981 5.204 1.00 1.62 H new ATOM 0 HD11 LEU A 538 1.077 4.654 6.005 1.00 3.03 H new ATOM 0 HD12 LEU A 538 2.127 4.760 4.571 1.00 3.03 H new ATOM 0 HD13 LEU A 538 2.841 4.498 6.180 1.00 3.03 H new ATOM 0 HD21 LEU A 538 0.965 6.380 7.619 1.00 1.83 H new ATOM 0 HD22 LEU A 538 2.721 6.401 7.905 1.00 1.83 H new ATOM 0 HD23 LEU A 538 1.876 7.899 7.448 1.00 1.83 H new ATOM 91 N VAL A 539 5.893 5.637 3.738 1.00 1.00 N ATOM 92 CA VAL A 539 6.527 4.623 2.865 1.00 0.99 C ATOM 93 C VAL A 539 7.606 3.846 3.639 1.00 1.03 C ATOM 94 O VAL A 539 7.682 2.623 3.563 1.00 1.13 O ATOM 95 CB VAL A 539 7.011 5.258 1.541 1.00 0.98 C ATOM 96 CG1 VAL A 539 8.501 5.588 1.523 1.00 0.99 C ATOM 97 CG2 VAL A 539 6.681 4.350 0.354 1.00 1.15 C ATOM 0 H VAL A 539 6.006 6.600 3.420 1.00 1.00 H new ATOM 0 HA VAL A 539 5.788 3.879 2.567 1.00 0.99 H new ATOM 0 HB VAL A 539 6.474 6.203 1.458 1.00 0.98 H new ATOM 0 HG11 VAL A 539 8.764 6.030 0.562 1.00 0.99 H new ATOM 0 HG12 VAL A 539 8.727 6.295 2.321 1.00 0.99 H new ATOM 0 HG13 VAL A 539 9.078 4.675 1.673 1.00 0.99 H new ATOM 0 HG21 VAL A 539 7.030 4.815 -0.568 1.00 1.15 H new ATOM 0 HG22 VAL A 539 7.175 3.387 0.484 1.00 1.15 H new ATOM 0 HG23 VAL A 539 5.603 4.200 0.299 1.00 1.15 H new ATOM 107 N ALA A 540 8.348 4.540 4.506 1.00 1.08 N ATOM 108 CA ALA A 540 9.332 3.969 5.421 1.00 1.30 C ATOM 109 C ALA A 540 8.734 3.120 6.564 1.00 1.44 C ATOM 110 O ALA A 540 9.484 2.485 7.310 1.00 1.62 O ATOM 111 CB ALA A 540 10.125 5.146 5.988 1.00 1.53 C ATOM 0 H ALA A 540 8.275 5.554 4.591 1.00 1.08 H new ATOM 0 HA ALA A 540 9.954 3.267 4.865 1.00 1.30 H new ATOM 0 HB1 ALA A 540 10.879 4.776 6.682 1.00 1.53 H new ATOM 0 HB2 ALA A 540 10.613 5.682 5.174 1.00 1.53 H new ATOM 0 HB3 ALA A 540 9.449 5.821 6.513 1.00 1.53 H new ATOM 117 N SER A 541 7.406 3.087 6.733 1.00 1.46 N ATOM 118 CA SER A 541 6.731 2.355 7.804 1.00 1.68 C ATOM 119 C SER A 541 6.338 0.930 7.392 1.00 1.66 C ATOM 120 O SER A 541 5.803 0.165 8.194 1.00 1.93 O ATOM 121 CB SER A 541 5.512 3.131 8.261 1.00 1.90 C ATOM 122 OG SER A 541 5.858 4.268 9.027 1.00 2.65 O ATOM 0 H SER A 541 6.761 3.579 6.115 1.00 1.46 H new ATOM 0 HA SER A 541 7.437 2.256 8.629 1.00 1.68 H new ATOM 0 HB2 SER A 541 4.935 3.443 7.391 1.00 1.90 H new ATOM 0 HB3 SER A 541 4.869 2.479 8.852 1.00 1.90 H new ATOM 0 HG SER A 541 6.007 5.031 8.431 1.00 2.65 H new ATOM 128 N MET A 542 6.580 0.568 6.131 1.00 1.44 N ATOM 129 CA MET A 542 6.353 -0.761 5.581 1.00 1.41 C ATOM 130 C MET A 542 7.459 -1.753 5.996 1.00 1.34 C ATOM 131 O MET A 542 8.633 -1.372 6.055 1.00 1.34 O ATOM 132 CB MET A 542 6.291 -0.649 4.055 1.00 1.39 C ATOM 133 CG MET A 542 4.928 -0.155 3.557 1.00 1.82 C ATOM 134 SD MET A 542 4.710 -0.246 1.757 1.00 2.69 S ATOM 135 CE MET A 542 4.456 -2.031 1.549 1.00 1.74 C ATOM 0 H MET A 542 6.954 1.221 5.442 1.00 1.44 H new ATOM 0 HA MET A 542 5.414 -1.148 5.976 1.00 1.41 H new ATOM 0 HB2 MET A 542 7.069 0.034 3.712 1.00 1.39 H new ATOM 0 HB3 MET A 542 6.504 -1.623 3.614 1.00 1.39 H new ATOM 0 HG2 MET A 542 4.145 -0.743 4.036 1.00 1.82 H new ATOM 0 HG3 MET A 542 4.791 0.878 3.876 1.00 1.82 H new ATOM 0 HE1 MET A 542 4.826 -2.340 0.571 1.00 1.74 H new ATOM 0 HE2 MET A 542 4.997 -2.569 2.328 1.00 1.74 H new ATOM 0 HE3 MET A 542 3.393 -2.258 1.623 1.00 1.74 H new ATOM 145 N PRO A 543 7.138 -3.047 6.188 1.00 1.40 N ATOM 146 CA PRO A 543 8.111 -4.073 6.573 1.00 1.45 C ATOM 147 C PRO A 543 9.078 -4.428 5.431 1.00 1.32 C ATOM 148 O PRO A 543 10.218 -4.814 5.690 1.00 1.44 O ATOM 149 CB PRO A 543 7.264 -5.268 7.021 1.00 1.67 C ATOM 150 CG PRO A 543 5.985 -5.135 6.198 1.00 1.66 C ATOM 151 CD PRO A 543 5.806 -3.622 6.083 1.00 1.58 C ATOM 0 HA PRO A 543 8.769 -3.725 7.370 1.00 1.45 H new ATOM 0 HB2 PRO A 543 7.770 -6.213 6.825 1.00 1.67 H new ATOM 0 HB3 PRO A 543 7.057 -5.233 8.091 1.00 1.67 H new ATOM 0 HG2 PRO A 543 6.084 -5.605 5.220 1.00 1.66 H new ATOM 0 HG3 PRO A 543 5.136 -5.605 6.693 1.00 1.66 H new ATOM 0 HD2 PRO A 543 5.341 -3.356 5.134 1.00 1.58 H new ATOM 0 HD3 PRO A 543 5.156 -3.246 6.873 1.00 1.58 H new ATOM 159 N LEU A 544 8.672 -4.215 4.170 1.00 1.21 N ATOM 160 CA LEU A 544 9.543 -4.348 2.989 1.00 1.23 C ATOM 161 C LEU A 544 10.634 -3.255 2.941 1.00 1.25 C ATOM 162 O LEU A 544 11.641 -3.417 2.252 1.00 1.40 O ATOM 163 CB LEU A 544 8.734 -4.300 1.666 1.00 1.35 C ATOM 164 CG LEU A 544 7.257 -4.730 1.667 1.00 1.63 C ATOM 165 CD1 LEU A 544 6.647 -4.463 0.289 1.00 1.46 C ATOM 166 CD2 LEU A 544 7.050 -6.202 1.985 1.00 3.22 C ATOM 0 H LEU A 544 7.717 -3.942 3.937 1.00 1.21 H new ATOM 0 HA LEU A 544 10.021 -5.323 3.086 1.00 1.23 H new ATOM 0 HB2 LEU A 544 8.776 -3.276 1.294 1.00 1.35 H new ATOM 0 HB3 LEU A 544 9.256 -4.924 0.941 1.00 1.35 H new ATOM 0 HG LEU A 544 6.775 -4.147 2.451 1.00 1.63 H new ATOM 0 HD11 LEU A 544 5.600 -4.768 0.289 1.00 1.46 H new ATOM 0 HD12 LEU A 544 6.715 -3.399 0.061 1.00 1.46 H new ATOM 0 HD13 LEU A 544 7.190 -5.032 -0.466 1.00 1.46 H new ATOM 0 HD21 LEU A 544 5.985 -6.432 1.968 1.00 3.22 H new ATOM 0 HD22 LEU A 544 7.565 -6.811 1.242 1.00 3.22 H new ATOM 0 HD23 LEU A 544 7.452 -6.421 2.974 1.00 3.22 H new ATOM 178 N PHE A 545 10.421 -2.137 3.650 1.00 1.15 N ATOM 179 CA PHE A 545 11.212 -0.900 3.592 1.00 1.13 C ATOM 180 C PHE A 545 12.124 -0.690 4.819 1.00 1.25 C ATOM 181 O PHE A 545 12.834 0.315 4.888 1.00 1.21 O ATOM 182 CB PHE A 545 10.261 0.303 3.430 1.00 1.09 C ATOM 183 CG PHE A 545 9.674 0.540 2.048 1.00 0.97 C ATOM 184 CD1 PHE A 545 8.733 -0.346 1.490 1.00 1.62 C ATOM 185 CD2 PHE A 545 9.992 1.727 1.362 1.00 2.24 C ATOM 186 CE1 PHE A 545 8.093 -0.032 0.279 1.00 1.56 C ATOM 187 CE2 PHE A 545 9.374 2.033 0.138 1.00 2.34 C ATOM 188 CZ PHE A 545 8.402 1.166 -0.386 1.00 1.06 C ATOM 0 H PHE A 545 9.651 -2.068 4.315 1.00 1.15 H new ATOM 0 HA PHE A 545 11.877 -0.988 2.732 1.00 1.13 H new ATOM 0 HB2 PHE A 545 9.436 0.179 4.131 1.00 1.09 H new ATOM 0 HB3 PHE A 545 10.800 1.203 3.728 1.00 1.09 H new ATOM 0 HD1 PHE A 545 8.502 -1.272 1.995 1.00 1.62 H new ATOM 0 HD2 PHE A 545 10.718 2.409 1.780 1.00 2.24 H new ATOM 0 HE1 PHE A 545 7.365 -0.711 -0.140 1.00 1.56 H new ATOM 0 HE2 PHE A 545 9.645 2.931 -0.397 1.00 2.34 H new ATOM 0 HZ PHE A 545 7.891 1.421 -1.303 1.00 1.06 H new ATOM 198 N ALA A 546 12.122 -1.617 5.781 1.00 1.46 N ATOM 199 CA ALA A 546 12.818 -1.510 7.068 1.00 1.70 C ATOM 200 C ALA A 546 14.301 -1.149 6.903 1.00 1.72 C ATOM 201 O ALA A 546 14.829 -0.207 7.501 1.00 1.95 O ATOM 202 CB ALA A 546 12.670 -2.877 7.744 1.00 1.94 C ATOM 0 H ALA A 546 11.616 -2.497 5.682 1.00 1.46 H new ATOM 0 HA ALA A 546 12.384 -0.708 7.665 1.00 1.70 H new ATOM 0 HB1 ALA A 546 13.171 -2.860 8.712 1.00 1.94 H new ATOM 0 HB2 ALA A 546 11.613 -3.100 7.886 1.00 1.94 H new ATOM 0 HB3 ALA A 546 13.121 -3.645 7.115 1.00 1.94 H new ATOM 208 N ASN A 547 14.928 -1.878 5.992 1.00 1.62 N ATOM 209 CA ASN A 547 16.346 -1.916 5.692 1.00 1.68 C ATOM 210 C ASN A 547 16.661 -1.208 4.350 1.00 1.43 C ATOM 211 O ASN A 547 17.755 -1.358 3.799 1.00 1.48 O ATOM 212 CB ASN A 547 16.713 -3.414 5.744 1.00 1.98 C ATOM 213 CG ASN A 547 17.582 -3.765 6.922 1.00 2.86 C ATOM 214 OD1 ASN A 547 18.804 -3.788 6.837 1.00 3.40 O ATOM 215 ND2 ASN A 547 16.980 -4.083 8.038 1.00 3.40 N ATOM 0 H ASN A 547 14.406 -2.515 5.390 1.00 1.62 H new ATOM 0 HA ASN A 547 16.957 -1.361 6.404 1.00 1.68 H new ATOM 0 HB2 ASN A 547 15.798 -4.005 5.785 1.00 1.98 H new ATOM 0 HB3 ASN A 547 17.229 -3.688 4.824 1.00 1.98 H new ATOM 0 HD21 ASN A 547 17.529 -4.355 8.854 1.00 3.40 H new ATOM 0 HD22 ASN A 547 15.962 -4.059 8.093 1.00 3.40 H new ATOM 222 N ALA A 548 15.697 -0.452 3.806 1.00 1.22 N ATOM 223 CA ALA A 548 15.768 0.155 2.474 1.00 1.01 C ATOM 224 C ALA A 548 16.925 1.148 2.285 1.00 0.91 C ATOM 225 O ALA A 548 17.307 1.868 3.211 1.00 0.97 O ATOM 226 CB ALA A 548 14.439 0.851 2.152 1.00 0.98 C ATOM 0 H ALA A 548 14.826 -0.242 4.294 1.00 1.22 H new ATOM 0 HA ALA A 548 15.961 -0.666 1.784 1.00 1.01 H new ATOM 0 HB1 ALA A 548 14.495 1.301 1.161 1.00 0.98 H new ATOM 0 HB2 ALA A 548 13.631 0.120 2.173 1.00 0.98 H new ATOM 0 HB3 ALA A 548 14.246 1.627 2.893 1.00 0.98 H new ATOM 232 N ASP A 549 17.401 1.268 1.042 1.00 0.91 N ATOM 233 CA ASP A 549 18.233 2.399 0.620 1.00 0.93 C ATOM 234 C ASP A 549 17.446 3.715 0.827 1.00 0.88 C ATOM 235 O ASP A 549 16.358 3.863 0.262 1.00 0.77 O ATOM 236 CB ASP A 549 18.648 2.211 -0.852 1.00 1.02 C ATOM 237 CG ASP A 549 19.594 3.304 -1.346 1.00 1.25 C ATOM 238 OD1 ASP A 549 19.215 4.492 -1.315 1.00 1.81 O ATOM 239 OD2 ASP A 549 20.738 2.969 -1.740 1.00 2.41 O ATOM 0 H ASP A 549 17.222 0.588 0.303 1.00 0.91 H new ATOM 0 HA ASP A 549 19.141 2.447 1.221 1.00 0.93 H new ATOM 0 HB2 ASP A 549 19.130 1.240 -0.967 1.00 1.02 H new ATOM 0 HB3 ASP A 549 17.755 2.200 -1.478 1.00 1.02 H new ATOM 244 N PRO A 550 17.954 4.689 1.605 1.00 1.03 N ATOM 245 CA PRO A 550 17.196 5.886 1.990 1.00 1.08 C ATOM 246 C PRO A 550 16.873 6.827 0.812 1.00 1.00 C ATOM 247 O PRO A 550 16.062 7.748 0.951 1.00 1.08 O ATOM 248 CB PRO A 550 18.074 6.574 3.040 1.00 1.29 C ATOM 249 CG PRO A 550 19.483 6.185 2.601 1.00 1.29 C ATOM 250 CD PRO A 550 19.292 4.735 2.175 1.00 1.21 C ATOM 0 HA PRO A 550 16.212 5.613 2.371 1.00 1.08 H new ATOM 0 HB2 PRO A 550 17.933 7.655 3.041 1.00 1.29 H new ATOM 0 HB3 PRO A 550 17.852 6.223 4.048 1.00 1.29 H new ATOM 0 HG2 PRO A 550 19.841 6.807 1.781 1.00 1.29 H new ATOM 0 HG3 PRO A 550 20.204 6.280 3.413 1.00 1.29 H new ATOM 0 HD2 PRO A 550 20.044 4.435 1.445 1.00 1.21 H new ATOM 0 HD3 PRO A 550 19.384 4.058 3.024 1.00 1.21 H new ATOM 258 N ASN A 551 17.481 6.590 -0.351 1.00 0.92 N ATOM 259 CA ASN A 551 17.266 7.324 -1.597 1.00 0.88 C ATOM 260 C ASN A 551 16.189 6.641 -2.453 1.00 0.73 C ATOM 261 O ASN A 551 15.337 7.320 -3.016 1.00 0.72 O ATOM 262 CB ASN A 551 18.597 7.482 -2.356 1.00 1.00 C ATOM 263 CG ASN A 551 19.769 7.908 -1.486 1.00 1.35 C ATOM 264 OD1 ASN A 551 20.025 9.086 -1.267 1.00 1.48 O ATOM 265 ND2 ASN A 551 20.500 6.963 -0.949 1.00 2.33 N ATOM 0 H ASN A 551 18.170 5.845 -0.454 1.00 0.92 H new ATOM 0 HA ASN A 551 16.899 8.323 -1.363 1.00 0.88 H new ATOM 0 HB2 ASN A 551 18.842 6.535 -2.836 1.00 1.00 H new ATOM 0 HB3 ASN A 551 18.464 8.217 -3.150 1.00 1.00 H new ATOM 0 HD21 ASN A 551 21.286 7.207 -0.346 1.00 2.33 H new ATOM 0 HD22 ASN A 551 20.283 5.984 -1.134 1.00 2.33 H new ATOM 272 N PHE A 552 16.160 5.302 -2.474 1.00 0.70 N ATOM 273 CA PHE A 552 15.090 4.505 -3.105 1.00 0.66 C ATOM 274 C PHE A 552 13.720 4.876 -2.534 1.00 0.62 C ATOM 275 O PHE A 552 12.792 5.193 -3.282 1.00 0.66 O ATOM 276 CB PHE A 552 15.361 3.003 -2.893 1.00 0.78 C ATOM 277 CG PHE A 552 14.172 2.071 -3.082 1.00 0.86 C ATOM 278 CD1 PHE A 552 13.639 1.821 -4.359 1.00 1.63 C ATOM 279 CD2 PHE A 552 13.585 1.460 -1.956 1.00 2.18 C ATOM 280 CE1 PHE A 552 12.526 0.972 -4.503 1.00 1.66 C ATOM 281 CE2 PHE A 552 12.484 0.598 -2.101 1.00 2.30 C ATOM 282 CZ PHE A 552 11.960 0.345 -3.379 1.00 1.16 C ATOM 0 H PHE A 552 16.889 4.730 -2.048 1.00 0.70 H new ATOM 0 HA PHE A 552 15.084 4.724 -4.173 1.00 0.66 H new ATOM 0 HB2 PHE A 552 16.149 2.697 -3.581 1.00 0.78 H new ATOM 0 HB3 PHE A 552 15.748 2.864 -1.883 1.00 0.78 H new ATOM 0 HD1 PHE A 552 14.084 2.281 -5.229 1.00 1.63 H new ATOM 0 HD2 PHE A 552 13.985 1.656 -0.972 1.00 2.18 H new ATOM 0 HE1 PHE A 552 12.104 0.801 -5.482 1.00 1.66 H new ATOM 0 HE2 PHE A 552 12.043 0.132 -1.232 1.00 2.30 H new ATOM 0 HZ PHE A 552 11.125 -0.329 -3.498 1.00 1.16 H new ATOM 292 N VAL A 553 13.612 4.902 -1.199 1.00 0.65 N ATOM 293 CA VAL A 553 12.341 5.207 -0.515 1.00 0.75 C ATOM 294 C VAL A 553 11.855 6.627 -0.828 1.00 0.78 C ATOM 295 O VAL A 553 10.662 6.877 -0.960 1.00 0.86 O ATOM 296 CB VAL A 553 12.423 4.990 1.005 1.00 0.88 C ATOM 297 CG1 VAL A 553 13.059 3.639 1.304 1.00 1.36 C ATOM 298 CG2 VAL A 553 13.247 6.005 1.790 1.00 1.52 C ATOM 0 H VAL A 553 14.390 4.715 -0.567 1.00 0.65 H new ATOM 0 HA VAL A 553 11.610 4.500 -0.907 1.00 0.75 H new ATOM 0 HB VAL A 553 11.385 5.082 1.323 1.00 0.88 H new ATOM 0 HG11 VAL A 553 13.113 3.493 2.383 1.00 1.36 H new ATOM 0 HG12 VAL A 553 12.456 2.847 0.861 1.00 1.36 H new ATOM 0 HG13 VAL A 553 14.064 3.609 0.883 1.00 1.36 H new ATOM 0 HG21 VAL A 553 13.230 5.747 2.849 1.00 1.52 H new ATOM 0 HG22 VAL A 553 14.276 5.994 1.431 1.00 1.52 H new ATOM 0 HG23 VAL A 553 12.825 7.001 1.653 1.00 1.52 H new ATOM 308 N THR A 554 12.806 7.549 -0.984 1.00 0.79 N ATOM 309 CA THR A 554 12.592 8.983 -1.210 1.00 0.92 C ATOM 310 C THR A 554 12.282 9.316 -2.671 1.00 0.89 C ATOM 311 O THR A 554 11.407 10.142 -2.949 1.00 1.02 O ATOM 312 CB THR A 554 13.824 9.776 -0.753 1.00 1.01 C ATOM 313 OG1 THR A 554 14.072 9.562 0.618 1.00 1.12 O ATOM 314 CG2 THR A 554 13.598 11.271 -0.934 1.00 1.18 C ATOM 0 H THR A 554 13.796 7.306 -0.955 1.00 0.79 H new ATOM 0 HA THR A 554 11.720 9.267 -0.622 1.00 0.92 H new ATOM 0 HB THR A 554 14.666 9.436 -1.357 1.00 1.01 H new ATOM 0 HG1 THR A 554 14.812 8.928 0.721 1.00 1.12 H new ATOM 0 HG21 THR A 554 14.483 11.815 -0.604 1.00 1.18 H new ATOM 0 HG22 THR A 554 13.411 11.486 -1.986 1.00 1.18 H new ATOM 0 HG23 THR A 554 12.738 11.583 -0.341 1.00 1.18 H new ATOM 322 N ALA A 555 12.956 8.670 -3.626 1.00 0.75 N ATOM 323 CA ALA A 555 12.749 8.931 -5.049 1.00 0.76 C ATOM 324 C ALA A 555 11.354 8.466 -5.506 1.00 0.80 C ATOM 325 O ALA A 555 10.783 8.993 -6.466 1.00 0.94 O ATOM 326 CB ALA A 555 13.859 8.221 -5.831 1.00 0.70 C ATOM 0 H ALA A 555 13.657 7.955 -3.434 1.00 0.75 H new ATOM 0 HA ALA A 555 12.794 10.003 -5.238 1.00 0.76 H new ATOM 0 HB1 ALA A 555 13.725 8.402 -6.898 1.00 0.70 H new ATOM 0 HB2 ALA A 555 14.829 8.606 -5.517 1.00 0.70 H new ATOM 0 HB3 ALA A 555 13.813 7.150 -5.636 1.00 0.70 H new ATOM 332 N MET A 556 10.773 7.517 -4.764 1.00 0.76 N ATOM 333 CA MET A 556 9.428 6.977 -4.973 1.00 0.83 C ATOM 334 C MET A 556 8.307 7.992 -4.686 1.00 0.91 C ATOM 335 O MET A 556 7.188 7.840 -5.184 1.00 1.00 O ATOM 336 CB MET A 556 9.308 5.746 -4.072 1.00 0.93 C ATOM 337 CG MET A 556 8.089 4.889 -4.412 1.00 0.90 C ATOM 338 SD MET A 556 7.919 3.378 -3.429 1.00 0.97 S ATOM 339 CE MET A 556 9.567 2.659 -3.657 1.00 0.66 C ATOM 0 H MET A 556 11.247 7.088 -3.970 1.00 0.76 H new ATOM 0 HA MET A 556 9.300 6.721 -6.025 1.00 0.83 H new ATOM 0 HB2 MET A 556 10.210 5.142 -4.165 1.00 0.93 H new ATOM 0 HB3 MET A 556 9.245 6.066 -3.032 1.00 0.93 H new ATOM 0 HG2 MET A 556 7.191 5.493 -4.281 1.00 0.90 H new ATOM 0 HG3 MET A 556 8.138 4.615 -5.466 1.00 0.90 H new ATOM 0 HE1 MET A 556 9.486 1.574 -3.714 1.00 0.66 H new ATOM 0 HE2 MET A 556 10.005 3.039 -4.580 1.00 0.66 H new ATOM 0 HE3 MET A 556 10.203 2.931 -2.814 1.00 0.66 H new ATOM 349 N LEU A 557 8.600 9.039 -3.908 1.00 0.93 N ATOM 350 CA LEU A 557 7.632 10.052 -3.475 1.00 1.04 C ATOM 351 C LEU A 557 7.366 11.112 -4.557 1.00 0.99 C ATOM 352 O LEU A 557 6.270 11.659 -4.631 1.00 0.90 O ATOM 353 CB LEU A 557 8.142 10.716 -2.178 1.00 1.15 C ATOM 354 CG LEU A 557 8.629 9.748 -1.081 1.00 1.19 C ATOM 355 CD1 LEU A 557 9.171 10.509 0.121 1.00 1.35 C ATOM 356 CD2 LEU A 557 7.517 8.814 -0.596 1.00 1.36 C ATOM 0 H LEU A 557 9.541 9.210 -3.553 1.00 0.93 H new ATOM 0 HA LEU A 557 6.681 9.553 -3.290 1.00 1.04 H new ATOM 0 HB2 LEU A 557 8.961 11.389 -2.433 1.00 1.15 H new ATOM 0 HB3 LEU A 557 7.341 11.330 -1.766 1.00 1.15 H new ATOM 0 HG LEU A 557 9.420 9.151 -1.536 1.00 1.19 H new ATOM 0 HD11 LEU A 557 9.507 9.801 0.879 1.00 1.35 H new ATOM 0 HD12 LEU A 557 10.009 11.132 -0.191 1.00 1.35 H new ATOM 0 HD13 LEU A 557 8.385 11.140 0.537 1.00 1.35 H new ATOM 0 HD21 LEU A 557 7.909 8.152 0.176 1.00 1.36 H new ATOM 0 HD22 LEU A 557 6.699 9.405 -0.185 1.00 1.36 H new ATOM 0 HD23 LEU A 557 7.151 8.219 -1.433 1.00 1.36 H new ATOM 368 N THR A 558 8.350 11.356 -5.429 1.00 1.08 N ATOM 369 CA THR A 558 8.415 12.482 -6.390 1.00 1.16 C ATOM 370 C THR A 558 7.181 12.662 -7.287 1.00 1.15 C ATOM 371 O THR A 558 6.872 13.785 -7.684 1.00 1.27 O ATOM 372 CB THR A 558 9.652 12.330 -7.295 1.00 1.23 C ATOM 373 OG1 THR A 558 9.668 11.063 -7.927 1.00 1.72 O ATOM 374 CG2 THR A 558 10.958 12.449 -6.508 1.00 2.08 C ATOM 0 H THR A 558 9.167 10.749 -5.494 1.00 1.08 H new ATOM 0 HA THR A 558 8.468 13.372 -5.762 1.00 1.16 H new ATOM 0 HB THR A 558 9.583 13.133 -8.028 1.00 1.23 H new ATOM 0 HG1 THR A 558 10.067 10.402 -7.324 1.00 1.72 H new ATOM 0 HG21 THR A 558 11.803 12.335 -7.187 1.00 2.08 H new ATOM 0 HG22 THR A 558 11.006 13.427 -6.029 1.00 2.08 H new ATOM 0 HG23 THR A 558 10.996 11.670 -5.747 1.00 2.08 H new ATOM 382 N LYS A 559 6.480 11.568 -7.606 1.00 1.08 N ATOM 383 CA LYS A 559 5.263 11.518 -8.440 1.00 1.12 C ATOM 384 C LYS A 559 4.037 10.847 -7.791 1.00 1.07 C ATOM 385 O LYS A 559 3.189 10.312 -8.500 1.00 1.28 O ATOM 386 CB LYS A 559 5.618 11.018 -9.858 1.00 1.35 C ATOM 387 CG LYS A 559 6.509 9.769 -9.996 1.00 1.76 C ATOM 388 CD LYS A 559 5.941 8.442 -9.478 1.00 2.07 C ATOM 389 CE LYS A 559 6.129 8.273 -7.970 1.00 3.52 C ATOM 390 NZ LYS A 559 5.712 6.937 -7.499 1.00 4.53 N ATOM 0 H LYS A 559 6.756 10.644 -7.275 1.00 1.08 H new ATOM 0 HA LYS A 559 4.898 12.541 -8.536 1.00 1.12 H new ATOM 0 HB2 LYS A 559 4.684 10.818 -10.382 1.00 1.35 H new ATOM 0 HB3 LYS A 559 6.110 11.836 -10.384 1.00 1.35 H new ATOM 0 HG2 LYS A 559 6.753 9.643 -11.051 1.00 1.76 H new ATOM 0 HG3 LYS A 559 7.446 9.963 -9.473 1.00 1.76 H new ATOM 0 HD2 LYS A 559 4.879 8.387 -9.717 1.00 2.07 H new ATOM 0 HD3 LYS A 559 6.427 7.615 -9.996 1.00 2.07 H new ATOM 0 HE2 LYS A 559 7.177 8.434 -7.716 1.00 3.52 H new ATOM 0 HE3 LYS A 559 5.553 9.036 -7.447 1.00 3.52 H new ATOM 0 HZ1 LYS A 559 6.070 6.781 -6.535 1.00 4.53 H new ATOM 0 HZ2 LYS A 559 4.674 6.878 -7.496 1.00 4.53 H new ATOM 0 HZ3 LYS A 559 6.098 6.209 -8.134 1.00 4.53 H new ATOM 404 N LEU A 560 3.983 10.765 -6.456 1.00 0.94 N ATOM 405 CA LEU A 560 2.889 10.115 -5.717 1.00 0.90 C ATOM 406 C LEU A 560 1.548 10.834 -5.920 1.00 0.98 C ATOM 407 O LEU A 560 1.517 12.028 -6.211 1.00 1.22 O ATOM 408 CB LEU A 560 3.211 10.093 -4.203 1.00 1.09 C ATOM 409 CG LEU A 560 3.686 8.741 -3.658 1.00 1.19 C ATOM 410 CD1 LEU A 560 4.069 8.885 -2.184 1.00 2.59 C ATOM 411 CD2 LEU A 560 2.578 7.688 -3.735 1.00 1.47 C ATOM 0 H LEU A 560 4.706 11.152 -5.849 1.00 0.94 H new ATOM 0 HA LEU A 560 2.801 9.101 -6.106 1.00 0.90 H new ATOM 0 HB2 LEU A 560 3.979 10.839 -4.000 1.00 1.09 H new ATOM 0 HB3 LEU A 560 2.320 10.396 -3.653 1.00 1.09 H new ATOM 0 HG LEU A 560 4.537 8.428 -4.264 1.00 1.19 H new ATOM 0 HD11 LEU A 560 4.406 7.922 -1.800 1.00 2.59 H new ATOM 0 HD12 LEU A 560 4.872 9.616 -2.086 1.00 2.59 H new ATOM 0 HD13 LEU A 560 3.202 9.220 -1.614 1.00 2.59 H new ATOM 0 HD21 LEU A 560 2.948 6.741 -3.341 1.00 1.47 H new ATOM 0 HD22 LEU A 560 1.722 8.017 -3.146 1.00 1.47 H new ATOM 0 HD23 LEU A 560 2.274 7.555 -4.773 1.00 1.47 H new ATOM 423 N LYS A 561 0.444 10.142 -5.629 1.00 0.93 N ATOM 424 CA LYS A 561 -0.917 10.702 -5.577 1.00 1.06 C ATOM 425 C LYS A 561 -1.582 10.476 -4.214 1.00 1.05 C ATOM 426 O LYS A 561 -1.249 9.520 -3.510 1.00 1.08 O ATOM 427 CB LYS A 561 -1.749 10.121 -6.734 1.00 1.22 C ATOM 428 CG LYS A 561 -2.758 11.122 -7.319 1.00 1.38 C ATOM 429 CD LYS A 561 -2.182 11.946 -8.479 1.00 1.83 C ATOM 430 CE LYS A 561 -0.983 12.830 -8.109 1.00 2.03 C ATOM 431 NZ LYS A 561 -0.432 13.501 -9.305 1.00 2.30 N ATOM 0 H LYS A 561 0.469 9.145 -5.416 1.00 0.93 H new ATOM 0 HA LYS A 561 -0.857 11.784 -5.699 1.00 1.06 H new ATOM 0 HB2 LYS A 561 -1.077 9.789 -7.525 1.00 1.22 H new ATOM 0 HB3 LYS A 561 -2.285 9.240 -6.381 1.00 1.22 H new ATOM 0 HG2 LYS A 561 -3.638 10.581 -7.667 1.00 1.38 H new ATOM 0 HG3 LYS A 561 -3.090 11.797 -6.531 1.00 1.38 H new ATOM 0 HD2 LYS A 561 -1.881 11.265 -9.275 1.00 1.83 H new ATOM 0 HD3 LYS A 561 -2.972 12.580 -8.883 1.00 1.83 H new ATOM 0 HE2 LYS A 561 -1.289 13.577 -7.377 1.00 2.03 H new ATOM 0 HE3 LYS A 561 -0.209 12.222 -7.640 1.00 2.03 H new ATOM 0 HZ1 LYS A 561 0.377 14.093 -9.029 1.00 2.30 H new ATOM 0 HZ2 LYS A 561 -0.119 12.785 -9.992 1.00 2.30 H new ATOM 0 HZ3 LYS A 561 -1.166 14.098 -9.737 1.00 2.30 H new ATOM 445 N PHE A 562 -2.518 11.348 -3.843 1.00 1.15 N ATOM 446 CA PHE A 562 -3.353 11.218 -2.638 1.00 1.10 C ATOM 447 C PHE A 562 -4.845 11.016 -2.978 1.00 0.94 C ATOM 448 O PHE A 562 -5.322 11.470 -4.027 1.00 0.93 O ATOM 449 CB PHE A 562 -3.078 12.408 -1.697 1.00 1.30 C ATOM 450 CG PHE A 562 -4.300 13.155 -1.203 1.00 1.04 C ATOM 451 CD1 PHE A 562 -4.934 14.085 -2.046 1.00 2.18 C ATOM 452 CD2 PHE A 562 -4.821 12.904 0.079 1.00 1.67 C ATOM 453 CE1 PHE A 562 -6.058 14.801 -1.602 1.00 2.29 C ATOM 454 CE2 PHE A 562 -5.950 13.622 0.520 1.00 1.82 C ATOM 455 CZ PHE A 562 -6.560 14.576 -0.311 1.00 1.45 C ATOM 0 H PHE A 562 -2.726 12.188 -4.383 1.00 1.15 H new ATOM 0 HA PHE A 562 -3.078 10.309 -2.104 1.00 1.10 H new ATOM 0 HB2 PHE A 562 -2.525 12.042 -0.832 1.00 1.30 H new ATOM 0 HB3 PHE A 562 -2.429 13.114 -2.215 1.00 1.30 H new ATOM 0 HD1 PHE A 562 -4.554 14.250 -3.043 1.00 2.18 H new ATOM 0 HD2 PHE A 562 -4.360 12.167 0.720 1.00 1.67 H new ATOM 0 HE1 PHE A 562 -6.534 15.521 -2.251 1.00 2.29 H new ATOM 0 HE2 PHE A 562 -6.350 13.437 1.506 1.00 1.82 H new ATOM 0 HZ PHE A 562 -7.414 15.135 0.043 1.00 1.45 H new ATOM 465 N GLU A 563 -5.575 10.332 -2.089 1.00 0.90 N ATOM 466 CA GLU A 563 -7.023 10.088 -2.207 1.00 0.83 C ATOM 467 C GLU A 563 -7.696 9.922 -0.828 1.00 0.74 C ATOM 468 O GLU A 563 -7.043 9.561 0.149 1.00 0.83 O ATOM 469 CB GLU A 563 -7.211 8.842 -3.090 1.00 0.94 C ATOM 470 CG GLU A 563 -8.653 8.570 -3.534 1.00 1.31 C ATOM 471 CD GLU A 563 -8.668 8.053 -4.976 1.00 1.72 C ATOM 472 OE1 GLU A 563 -8.586 6.823 -5.218 1.00 2.28 O ATOM 473 OE2 GLU A 563 -8.708 8.901 -5.902 1.00 2.81 O ATOM 0 H GLU A 563 -5.169 9.922 -1.248 1.00 0.90 H new ATOM 0 HA GLU A 563 -7.510 10.949 -2.665 1.00 0.83 H new ATOM 0 HB2 GLU A 563 -6.588 8.948 -3.978 1.00 0.94 H new ATOM 0 HB3 GLU A 563 -6.845 7.972 -2.546 1.00 0.94 H new ATOM 0 HG2 GLU A 563 -9.114 7.838 -2.871 1.00 1.31 H new ATOM 0 HG3 GLU A 563 -9.243 9.483 -3.460 1.00 1.31 H new ATOM 480 N VAL A 564 -9.007 10.159 -0.722 1.00 0.67 N ATOM 481 CA VAL A 564 -9.769 9.982 0.533 1.00 0.72 C ATOM 482 C VAL A 564 -11.031 9.146 0.320 1.00 0.72 C ATOM 483 O VAL A 564 -11.703 9.266 -0.706 1.00 0.70 O ATOM 484 CB VAL A 564 -10.150 11.326 1.190 1.00 0.86 C ATOM 485 CG1 VAL A 564 -10.445 11.129 2.678 1.00 1.34 C ATOM 486 CG2 VAL A 564 -9.049 12.388 1.135 1.00 0.72 C ATOM 0 H VAL A 564 -9.578 10.481 -1.503 1.00 0.67 H new ATOM 0 HA VAL A 564 -9.100 9.449 1.209 1.00 0.72 H new ATOM 0 HB VAL A 564 -11.014 11.667 0.619 1.00 0.86 H new ATOM 0 HG11 VAL A 564 -10.712 12.086 3.126 1.00 1.34 H new ATOM 0 HG12 VAL A 564 -11.273 10.430 2.795 1.00 1.34 H new ATOM 0 HG13 VAL A 564 -9.560 10.730 3.175 1.00 1.34 H new ATOM 0 HG21 VAL A 564 -9.399 13.300 1.618 1.00 0.72 H new ATOM 0 HG22 VAL A 564 -8.163 12.020 1.652 1.00 0.72 H new ATOM 0 HG23 VAL A 564 -8.800 12.601 0.095 1.00 0.72 H new ATOM 496 N PHE A 565 -11.393 8.345 1.323 1.00 0.84 N ATOM 497 CA PHE A 565 -12.674 7.637 1.400 1.00 0.92 C ATOM 498 C PHE A 565 -13.511 8.197 2.558 1.00 0.87 C ATOM 499 O PHE A 565 -12.981 8.489 3.627 1.00 0.85 O ATOM 500 CB PHE A 565 -12.424 6.129 1.524 1.00 0.97 C ATOM 501 CG PHE A 565 -11.850 5.499 0.263 1.00 0.97 C ATOM 502 CD1 PHE A 565 -10.495 5.680 -0.080 1.00 2.11 C ATOM 503 CD2 PHE A 565 -12.681 4.736 -0.581 1.00 1.66 C ATOM 504 CE1 PHE A 565 -9.978 5.095 -1.249 1.00 2.12 C ATOM 505 CE2 PHE A 565 -12.151 4.121 -1.729 1.00 1.66 C ATOM 506 CZ PHE A 565 -10.797 4.292 -2.058 1.00 0.99 C ATOM 0 H PHE A 565 -10.789 8.165 2.125 1.00 0.84 H new ATOM 0 HA PHE A 565 -13.248 7.795 0.487 1.00 0.92 H new ATOM 0 HB2 PHE A 565 -11.739 5.950 2.353 1.00 0.97 H new ATOM 0 HB3 PHE A 565 -13.362 5.633 1.773 1.00 0.97 H new ATOM 0 HD1 PHE A 565 -9.852 6.270 0.557 1.00 2.11 H new ATOM 0 HD2 PHE A 565 -13.729 4.623 -0.345 1.00 1.66 H new ATOM 0 HE1 PHE A 565 -8.948 5.264 -1.525 1.00 2.12 H new ATOM 0 HE2 PHE A 565 -12.787 3.516 -2.359 1.00 1.66 H new ATOM 0 HZ PHE A 565 -10.387 3.807 -2.931 1.00 0.99 H new ATOM 516 N GLN A 566 -14.810 8.394 2.339 1.00 0.92 N ATOM 517 CA GLN A 566 -15.738 9.007 3.305 1.00 0.93 C ATOM 518 C GLN A 566 -16.301 7.938 4.281 1.00 0.84 C ATOM 519 O GLN A 566 -16.203 6.740 3.998 1.00 0.83 O ATOM 520 CB GLN A 566 -16.860 9.710 2.505 1.00 1.12 C ATOM 521 CG GLN A 566 -16.539 11.066 1.856 1.00 1.27 C ATOM 522 CD GLN A 566 -15.466 11.006 0.782 1.00 1.86 C ATOM 523 OE1 GLN A 566 -15.721 10.772 -0.396 1.00 3.24 O ATOM 524 NE2 GLN A 566 -14.218 11.198 1.139 1.00 1.64 N ATOM 0 H GLN A 566 -15.264 8.127 1.465 1.00 0.92 H new ATOM 0 HA GLN A 566 -15.220 9.742 3.921 1.00 0.93 H new ATOM 0 HB2 GLN A 566 -17.185 9.031 1.717 1.00 1.12 H new ATOM 0 HB3 GLN A 566 -17.709 9.852 3.174 1.00 1.12 H new ATOM 0 HG2 GLN A 566 -17.452 11.472 1.419 1.00 1.27 H new ATOM 0 HG3 GLN A 566 -16.221 11.761 2.633 1.00 1.27 H new ATOM 0 HE21 GLN A 566 -13.991 11.393 2.114 1.00 1.64 H new ATOM 0 HE22 GLN A 566 -13.475 11.152 0.442 1.00 1.64 H new ATOM 533 N PRO A 567 -16.901 8.321 5.429 1.00 0.87 N ATOM 534 CA PRO A 567 -17.317 7.364 6.457 1.00 0.85 C ATOM 535 C PRO A 567 -18.318 6.310 5.957 1.00 0.87 C ATOM 536 O PRO A 567 -19.301 6.630 5.283 1.00 1.02 O ATOM 537 CB PRO A 567 -17.923 8.192 7.598 1.00 0.96 C ATOM 538 CG PRO A 567 -17.339 9.589 7.401 1.00 1.03 C ATOM 539 CD PRO A 567 -17.153 9.682 5.887 1.00 0.99 C ATOM 0 HA PRO A 567 -16.450 6.787 6.779 1.00 0.85 H new ATOM 0 HB2 PRO A 567 -19.012 8.205 7.546 1.00 0.96 H new ATOM 0 HB3 PRO A 567 -17.656 7.783 8.572 1.00 0.96 H new ATOM 0 HG2 PRO A 567 -18.012 10.362 7.772 1.00 1.03 H new ATOM 0 HG3 PRO A 567 -16.394 9.708 7.931 1.00 1.03 H new ATOM 0 HD2 PRO A 567 -18.041 10.096 5.409 1.00 0.99 H new ATOM 0 HD3 PRO A 567 -16.320 10.339 5.636 1.00 0.99 H new ATOM 547 N GLY A 568 -18.096 5.051 6.327 1.00 0.82 N ATOM 548 CA GLY A 568 -18.995 3.922 6.101 1.00 0.92 C ATOM 549 C GLY A 568 -18.742 3.196 4.783 1.00 0.96 C ATOM 550 O GLY A 568 -19.405 2.191 4.519 1.00 1.12 O ATOM 0 H GLY A 568 -17.244 4.777 6.816 1.00 0.82 H new ATOM 0 HA2 GLY A 568 -18.889 3.214 6.923 1.00 0.92 H new ATOM 0 HA3 GLY A 568 -20.025 4.279 6.118 1.00 0.92 H new ATOM 554 N ASP A 569 -17.820 3.693 3.952 1.00 0.90 N ATOM 555 CA ASP A 569 -17.695 3.335 2.549 1.00 0.88 C ATOM 556 C ASP A 569 -16.743 2.156 2.307 1.00 0.83 C ATOM 557 O ASP A 569 -15.622 2.127 2.817 1.00 0.82 O ATOM 558 CB ASP A 569 -17.271 4.576 1.752 1.00 0.94 C ATOM 559 CG ASP A 569 -17.340 4.352 0.243 1.00 1.08 C ATOM 560 OD1 ASP A 569 -18.430 3.998 -0.265 1.00 1.46 O ATOM 561 OD2 ASP A 569 -16.321 4.579 -0.444 1.00 2.14 O ATOM 0 H ASP A 569 -17.123 4.375 4.253 1.00 0.90 H new ATOM 0 HA ASP A 569 -18.669 2.990 2.202 1.00 0.88 H new ATOM 0 HB2 ASP A 569 -17.913 5.414 2.022 1.00 0.94 H new ATOM 0 HB3 ASP A 569 -16.254 4.852 2.029 1.00 0.94 H new ATOM 566 N TYR A 570 -17.183 1.190 1.504 1.00 0.90 N ATOM 567 CA TYR A 570 -16.410 -0.006 1.149 1.00 0.98 C ATOM 568 C TYR A 570 -15.269 0.345 0.180 1.00 1.04 C ATOM 569 O TYR A 570 -15.504 0.712 -0.976 1.00 1.17 O ATOM 570 CB TYR A 570 -17.345 -1.086 0.585 1.00 1.16 C ATOM 571 CG TYR A 570 -18.414 -1.539 1.565 1.00 1.33 C ATOM 572 CD1 TYR A 570 -18.052 -2.313 2.684 1.00 2.03 C ATOM 573 CD2 TYR A 570 -19.761 -1.172 1.378 1.00 2.51 C ATOM 574 CE1 TYR A 570 -19.029 -2.703 3.619 1.00 2.14 C ATOM 575 CE2 TYR A 570 -20.742 -1.567 2.308 1.00 2.85 C ATOM 576 CZ TYR A 570 -20.380 -2.343 3.426 1.00 2.00 C ATOM 577 OH TYR A 570 -21.341 -2.807 4.267 1.00 2.38 O ATOM 0 H TYR A 570 -18.106 1.214 1.071 1.00 0.90 H new ATOM 0 HA TYR A 570 -15.942 -0.410 2.047 1.00 0.98 H new ATOM 0 HB2 TYR A 570 -17.827 -0.703 -0.314 1.00 1.16 H new ATOM 0 HB3 TYR A 570 -16.750 -1.949 0.285 1.00 1.16 H new ATOM 0 HD1 TYR A 570 -17.023 -2.608 2.825 1.00 2.03 H new ATOM 0 HD2 TYR A 570 -20.043 -0.585 0.517 1.00 2.51 H new ATOM 0 HE1 TYR A 570 -18.744 -3.279 4.487 1.00 2.14 H new ATOM 0 HE2 TYR A 570 -21.772 -1.275 2.164 1.00 2.85 H new ATOM 0 HH TYR A 570 -22.214 -2.460 3.989 1.00 2.38 H new ATOM 587 N ILE A 571 -14.021 0.246 0.651 1.00 0.99 N ATOM 588 CA ILE A 571 -12.845 0.784 -0.063 1.00 1.08 C ATOM 589 C ILE A 571 -12.209 -0.194 -1.067 1.00 1.22 C ATOM 590 O ILE A 571 -11.525 0.249 -1.992 1.00 1.34 O ATOM 591 CB ILE A 571 -11.784 1.313 0.921 1.00 0.96 C ATOM 592 CG1 ILE A 571 -11.064 0.145 1.615 1.00 0.94 C ATOM 593 CG2 ILE A 571 -12.350 2.318 1.938 1.00 0.96 C ATOM 594 CD1 ILE A 571 -10.108 0.607 2.695 1.00 0.94 C ATOM 0 H ILE A 571 -13.792 -0.207 1.536 1.00 0.99 H new ATOM 0 HA ILE A 571 -13.231 1.613 -0.656 1.00 1.08 H new ATOM 0 HB ILE A 571 -11.054 1.870 0.333 1.00 0.96 H new ATOM 0 HG12 ILE A 571 -11.805 -0.524 2.053 1.00 0.94 H new ATOM 0 HG13 ILE A 571 -10.514 -0.431 0.871 1.00 0.94 H new ATOM 0 HG21 ILE A 571 -11.553 2.652 2.602 1.00 0.96 H new ATOM 0 HG22 ILE A 571 -12.765 3.176 1.409 1.00 0.96 H new ATOM 0 HG23 ILE A 571 -13.134 1.839 2.525 1.00 0.96 H new ATOM 0 HD11 ILE A 571 -9.628 -0.259 3.151 1.00 0.94 H new ATOM 0 HD12 ILE A 571 -9.348 1.254 2.256 1.00 0.94 H new ATOM 0 HD13 ILE A 571 -10.659 1.159 3.456 1.00 0.94 H new ATOM 606 N ILE A 572 -12.395 -1.505 -0.867 1.00 1.22 N ATOM 607 CA ILE A 572 -11.667 -2.585 -1.561 1.00 1.33 C ATOM 608 C ILE A 572 -12.485 -3.125 -2.740 1.00 1.29 C ATOM 609 O ILE A 572 -13.692 -3.333 -2.599 1.00 1.74 O ATOM 610 CB ILE A 572 -11.358 -3.746 -0.585 1.00 1.95 C ATOM 611 CG1 ILE A 572 -10.389 -3.394 0.536 1.00 2.67 C ATOM 612 CG2 ILE A 572 -10.887 -5.024 -1.307 1.00 2.02 C ATOM 613 CD1 ILE A 572 -8.942 -3.082 0.232 1.00 1.81 C ATOM 0 H ILE A 572 -13.078 -1.859 -0.197 1.00 1.22 H new ATOM 0 HA ILE A 572 -10.733 -2.167 -1.936 1.00 1.33 H new ATOM 0 HB ILE A 572 -12.321 -3.943 -0.114 1.00 1.95 H new ATOM 0 HG12 ILE A 572 -10.801 -2.530 1.058 1.00 2.67 H new ATOM 0 HG13 ILE A 572 -10.397 -4.226 1.241 1.00 2.67 H new ATOM 0 HG21 ILE A 572 -10.685 -5.804 -0.572 1.00 2.02 H new ATOM 0 HG22 ILE A 572 -11.665 -5.363 -1.991 1.00 2.02 H new ATOM 0 HG23 ILE A 572 -9.977 -4.810 -1.868 1.00 2.02 H new ATOM 0 HD11 ILE A 572 -8.416 -2.856 1.160 1.00 1.81 H new ATOM 0 HD12 ILE A 572 -8.477 -3.943 -0.249 1.00 1.81 H new ATOM 0 HD13 ILE A 572 -8.888 -2.221 -0.435 1.00 1.81 H new ATOM 625 N ARG A 573 -11.824 -3.450 -3.861 1.00 1.29 N ATOM 626 CA ARG A 573 -12.469 -4.040 -5.047 1.00 1.61 C ATOM 627 C ARG A 573 -11.565 -5.032 -5.800 1.00 1.39 C ATOM 628 O ARG A 573 -10.570 -4.630 -6.405 1.00 1.57 O ATOM 629 CB ARG A 573 -12.929 -2.858 -5.934 1.00 2.35 C ATOM 630 CG ARG A 573 -14.269 -3.057 -6.646 1.00 3.34 C ATOM 631 CD ARG A 573 -14.242 -4.176 -7.686 1.00 4.29 C ATOM 632 NE ARG A 573 -15.412 -4.083 -8.572 1.00 5.39 N ATOM 633 CZ ARG A 573 -15.621 -4.794 -9.659 1.00 6.69 C ATOM 634 NH1 ARG A 573 -14.864 -5.804 -9.974 1.00 7.30 N ATOM 635 NH2 ARG A 573 -16.601 -4.485 -10.452 1.00 7.77 N ATOM 0 H ARG A 573 -10.820 -3.310 -3.972 1.00 1.29 H new ATOM 0 HA ARG A 573 -13.322 -4.648 -4.746 1.00 1.61 H new ATOM 0 HB2 ARG A 573 -12.995 -1.964 -5.314 1.00 2.35 H new ATOM 0 HB3 ARG A 573 -12.162 -2.669 -6.685 1.00 2.35 H new ATOM 0 HG2 ARG A 573 -15.037 -3.278 -5.905 1.00 3.34 H new ATOM 0 HG3 ARG A 573 -14.555 -2.125 -7.133 1.00 3.34 H new ATOM 0 HD2 ARG A 573 -13.327 -4.112 -8.274 1.00 4.29 H new ATOM 0 HD3 ARG A 573 -14.233 -5.145 -7.187 1.00 4.29 H new ATOM 0 HE ARG A 573 -16.129 -3.403 -8.320 1.00 5.39 H new ATOM 0 HH11 ARG A 573 -14.083 -6.064 -9.371 1.00 7.30 H new ATOM 0 HH12 ARG A 573 -15.051 -6.336 -10.824 1.00 7.30 H new ATOM 0 HH21 ARG A 573 -17.205 -3.694 -10.231 1.00 7.77 H new ATOM 0 HH22 ARG A 573 -16.767 -5.034 -11.296 1.00 7.77 H new ATOM 649 N GLU A 574 -11.913 -6.321 -5.828 1.00 1.78 N ATOM 650 CA GLU A 574 -11.224 -7.338 -6.649 1.00 1.74 C ATOM 651 C GLU A 574 -11.598 -7.185 -8.135 1.00 2.17 C ATOM 652 O GLU A 574 -12.723 -6.809 -8.466 1.00 3.16 O ATOM 653 CB GLU A 574 -11.545 -8.767 -6.145 1.00 2.97 C ATOM 654 CG GLU A 574 -10.723 -9.872 -6.846 1.00 3.43 C ATOM 655 CD GLU A 574 -11.159 -11.294 -6.467 1.00 5.09 C ATOM 656 OE1 GLU A 574 -12.099 -11.820 -7.113 1.00 6.28 O ATOM 657 OE2 GLU A 574 -10.520 -11.944 -5.608 1.00 5.83 O ATOM 0 H GLU A 574 -12.686 -6.698 -5.280 1.00 1.78 H new ATOM 0 HA GLU A 574 -10.150 -7.180 -6.551 1.00 1.74 H new ATOM 0 HB2 GLU A 574 -11.360 -8.814 -5.072 1.00 2.97 H new ATOM 0 HB3 GLU A 574 -12.606 -8.966 -6.295 1.00 2.97 H new ATOM 0 HG2 GLU A 574 -10.811 -9.749 -7.926 1.00 3.43 H new ATOM 0 HG3 GLU A 574 -9.670 -9.745 -6.595 1.00 3.43 H new ATOM 664 N GLY A 575 -10.672 -7.515 -9.041 1.00 2.07 N ATOM 665 CA GLY A 575 -10.985 -7.581 -10.475 1.00 3.16 C ATOM 666 C GLY A 575 -9.814 -7.973 -11.374 1.00 2.87 C ATOM 667 O GLY A 575 -10.023 -8.564 -12.429 1.00 3.71 O ATOM 0 H GLY A 575 -9.704 -7.740 -8.810 1.00 2.07 H new ATOM 0 HA2 GLY A 575 -11.793 -8.298 -10.623 1.00 3.16 H new ATOM 0 HA3 GLY A 575 -11.359 -6.609 -10.795 1.00 3.16 H new ATOM 671 N THR A 576 -8.572 -7.723 -10.958 1.00 1.84 N ATOM 672 CA THR A 576 -7.379 -7.952 -11.789 1.00 1.78 C ATOM 673 C THR A 576 -6.135 -8.125 -10.929 1.00 1.33 C ATOM 674 O THR A 576 -6.148 -7.805 -9.739 1.00 1.44 O ATOM 675 CB THR A 576 -7.202 -6.801 -12.798 1.00 2.23 C ATOM 676 OG1 THR A 576 -6.170 -7.053 -13.727 1.00 2.59 O ATOM 677 CG2 THR A 576 -6.933 -5.451 -12.131 1.00 2.59 C ATOM 0 H THR A 576 -8.359 -7.354 -10.031 1.00 1.84 H new ATOM 0 HA THR A 576 -7.522 -8.878 -12.346 1.00 1.78 H new ATOM 0 HB THR A 576 -8.158 -6.749 -13.320 1.00 2.23 H new ATOM 0 HG1 THR A 576 -6.096 -6.297 -14.347 1.00 2.59 H new ATOM 0 HG21 THR A 576 -6.818 -4.683 -12.896 1.00 2.59 H new ATOM 0 HG22 THR A 576 -7.769 -5.193 -11.481 1.00 2.59 H new ATOM 0 HG23 THR A 576 -6.020 -5.513 -11.539 1.00 2.59 H new ATOM 685 N ILE A 577 -5.080 -8.654 -11.539 1.00 1.41 N ATOM 686 CA ILE A 577 -3.722 -8.692 -11.009 1.00 1.54 C ATOM 687 C ILE A 577 -2.937 -7.480 -11.525 1.00 1.46 C ATOM 688 O ILE A 577 -3.034 -7.140 -12.709 1.00 1.59 O ATOM 689 CB ILE A 577 -3.023 -10.008 -11.415 1.00 2.02 C ATOM 690 CG1 ILE A 577 -3.765 -11.232 -10.850 1.00 2.15 C ATOM 691 CG2 ILE A 577 -1.574 -10.021 -10.889 1.00 2.60 C ATOM 692 CD1 ILE A 577 -4.897 -11.823 -11.698 1.00 2.08 C ATOM 0 H ILE A 577 -5.152 -9.088 -12.459 1.00 1.41 H new ATOM 0 HA ILE A 577 -3.760 -8.652 -9.920 1.00 1.54 H new ATOM 0 HB ILE A 577 -3.029 -10.062 -12.504 1.00 2.02 H new ATOM 0 HG12 ILE A 577 -3.031 -12.018 -10.672 1.00 2.15 H new ATOM 0 HG13 ILE A 577 -4.179 -10.957 -9.880 1.00 2.15 H new ATOM 0 HG21 ILE A 577 -1.090 -10.953 -11.180 1.00 2.60 H new ATOM 0 HG22 ILE A 577 -1.026 -9.179 -11.312 1.00 2.60 H new ATOM 0 HG23 ILE A 577 -1.581 -9.940 -9.802 1.00 2.60 H new ATOM 0 HD11 ILE A 577 -5.331 -12.679 -11.180 1.00 2.08 H new ATOM 0 HD12 ILE A 577 -5.666 -11.067 -11.857 1.00 2.08 H new ATOM 0 HD13 ILE A 577 -4.500 -12.145 -12.661 1.00 2.08 H new ATOM 704 N GLY A 578 -2.113 -6.862 -10.680 1.00 1.59 N ATOM 705 CA GLY A 578 -1.280 -5.712 -11.048 1.00 1.71 C ATOM 706 C GLY A 578 -2.003 -4.383 -10.813 1.00 1.54 C ATOM 707 O GLY A 578 -1.886 -3.447 -11.606 1.00 1.71 O ATOM 0 H GLY A 578 -2.002 -7.148 -9.707 1.00 1.59 H new ATOM 0 HA2 GLY A 578 -0.358 -5.731 -10.467 1.00 1.71 H new ATOM 0 HA3 GLY A 578 -0.997 -5.790 -12.098 1.00 1.71 H new ATOM 711 N LYS A 579 -2.801 -4.334 -9.746 1.00 1.50 N ATOM 712 CA LYS A 579 -3.686 -3.236 -9.352 1.00 1.54 C ATOM 713 C LYS A 579 -2.909 -2.009 -8.846 1.00 1.93 C ATOM 714 O LYS A 579 -1.751 -2.120 -8.441 1.00 2.26 O ATOM 715 CB LYS A 579 -4.639 -3.836 -8.302 1.00 1.61 C ATOM 716 CG LYS A 579 -5.776 -2.917 -7.859 1.00 2.40 C ATOM 717 CD LYS A 579 -6.825 -3.707 -7.064 1.00 2.40 C ATOM 718 CE LYS A 579 -7.890 -2.794 -6.451 1.00 3.67 C ATOM 719 NZ LYS A 579 -8.574 -1.955 -7.460 1.00 4.23 N ATOM 0 H LYS A 579 -2.850 -5.113 -9.089 1.00 1.50 H new ATOM 0 HA LYS A 579 -4.247 -2.845 -10.201 1.00 1.54 H new ATOM 0 HB2 LYS A 579 -5.070 -4.752 -8.706 1.00 1.61 H new ATOM 0 HB3 LYS A 579 -4.057 -4.117 -7.424 1.00 1.61 H new ATOM 0 HG2 LYS A 579 -5.380 -2.108 -7.246 1.00 2.40 H new ATOM 0 HG3 LYS A 579 -6.242 -2.458 -8.731 1.00 2.40 H new ATOM 0 HD2 LYS A 579 -7.305 -4.434 -7.720 1.00 2.40 H new ATOM 0 HD3 LYS A 579 -6.331 -4.270 -6.272 1.00 2.40 H new ATOM 0 HE2 LYS A 579 -8.629 -3.403 -5.930 1.00 3.67 H new ATOM 0 HE3 LYS A 579 -7.425 -2.150 -5.705 1.00 3.67 H new ATOM 0 HZ1 LYS A 579 -9.362 -1.446 -7.011 1.00 4.23 H new ATOM 0 HZ2 LYS A 579 -7.900 -1.270 -7.856 1.00 4.23 H new ATOM 0 HZ3 LYS A 579 -8.942 -2.559 -8.222 1.00 4.23 H new ATOM 733 N LYS A 580 -3.549 -0.833 -8.795 1.00 2.10 N ATOM 734 CA LYS A 580 -2.946 0.375 -8.194 1.00 2.43 C ATOM 735 C LYS A 580 -3.143 0.345 -6.676 1.00 2.51 C ATOM 736 O LYS A 580 -4.235 0.043 -6.191 1.00 2.91 O ATOM 737 CB LYS A 580 -3.535 1.673 -8.770 1.00 2.64 C ATOM 738 CG LYS A 580 -3.536 1.797 -10.299 1.00 3.01 C ATOM 739 CD LYS A 580 -2.126 1.859 -10.886 1.00 3.35 C ATOM 740 CE LYS A 580 -2.106 2.279 -12.364 1.00 4.98 C ATOM 741 NZ LYS A 580 -2.747 1.292 -13.266 1.00 5.34 N ATOM 0 H LYS A 580 -4.489 -0.688 -9.163 1.00 2.10 H new ATOM 0 HA LYS A 580 -1.883 0.367 -8.437 1.00 2.43 H new ATOM 0 HB2 LYS A 580 -4.562 1.769 -8.418 1.00 2.64 H new ATOM 0 HB3 LYS A 580 -2.977 2.514 -8.359 1.00 2.64 H new ATOM 0 HG2 LYS A 580 -4.067 0.947 -10.728 1.00 3.01 H new ATOM 0 HG3 LYS A 580 -4.085 2.694 -10.586 1.00 3.01 H new ATOM 0 HD2 LYS A 580 -1.528 2.563 -10.306 1.00 3.35 H new ATOM 0 HD3 LYS A 580 -1.654 0.882 -10.786 1.00 3.35 H new ATOM 0 HE2 LYS A 580 -2.613 3.238 -12.468 1.00 4.98 H new ATOM 0 HE3 LYS A 580 -1.073 2.429 -12.677 1.00 4.98 H new ATOM 0 HZ1 LYS A 580 -2.700 1.636 -14.246 1.00 5.34 H new ATOM 0 HZ2 LYS A 580 -2.250 0.381 -13.194 1.00 5.34 H new ATOM 0 HZ3 LYS A 580 -3.742 1.166 -12.991 1.00 5.34 H new ATOM 755 N MET A 581 -2.073 0.636 -5.944 1.00 2.17 N ATOM 756 CA MET A 581 -1.948 0.321 -4.510 1.00 1.97 C ATOM 757 C MET A 581 -2.478 1.443 -3.602 1.00 1.63 C ATOM 758 O MET A 581 -2.320 2.620 -3.924 1.00 1.51 O ATOM 759 CB MET A 581 -0.483 -0.027 -4.183 1.00 1.96 C ATOM 760 CG MET A 581 -0.329 -0.453 -2.719 1.00 1.98 C ATOM 761 SD MET A 581 1.319 -0.941 -2.172 1.00 2.15 S ATOM 762 CE MET A 581 0.933 -0.950 -0.401 1.00 1.79 C ATOM 0 H MET A 581 -1.252 1.104 -6.328 1.00 2.17 H new ATOM 0 HA MET A 581 -2.577 -0.545 -4.304 1.00 1.97 H new ATOM 0 HB2 MET A 581 -0.143 -0.831 -4.836 1.00 1.96 H new ATOM 0 HB3 MET A 581 0.152 0.836 -4.382 1.00 1.96 H new ATOM 0 HG2 MET A 581 -0.663 0.372 -2.090 1.00 1.98 H new ATOM 0 HG3 MET A 581 -1.006 -1.287 -2.537 1.00 1.98 H new ATOM 0 HE1 MET A 581 1.728 -1.462 0.142 1.00 1.79 H new ATOM 0 HE2 MET A 581 0.850 0.076 -0.041 1.00 1.79 H new ATOM 0 HE3 MET A 581 -0.011 -1.469 -0.237 1.00 1.79 H new ATOM 772 N TYR A 582 -3.015 1.076 -2.428 1.00 1.49 N ATOM 773 CA TYR A 582 -3.471 2.002 -1.387 1.00 1.15 C ATOM 774 C TYR A 582 -2.781 1.709 -0.045 1.00 1.07 C ATOM 775 O TYR A 582 -2.646 0.561 0.380 1.00 1.22 O ATOM 776 CB TYR A 582 -4.995 1.909 -1.219 1.00 1.05 C ATOM 777 CG TYR A 582 -5.817 2.518 -2.339 1.00 1.76 C ATOM 778 CD1 TYR A 582 -6.142 3.889 -2.306 1.00 3.29 C ATOM 779 CD2 TYR A 582 -6.295 1.712 -3.390 1.00 2.13 C ATOM 780 CE1 TYR A 582 -6.935 4.456 -3.322 1.00 4.08 C ATOM 781 CE2 TYR A 582 -7.104 2.273 -4.398 1.00 2.71 C ATOM 782 CZ TYR A 582 -7.419 3.648 -4.370 1.00 3.43 C ATOM 783 OH TYR A 582 -8.193 4.187 -5.347 1.00 4.28 O ATOM 0 H TYR A 582 -3.146 0.097 -2.172 1.00 1.49 H new ATOM 0 HA TYR A 582 -3.205 3.012 -1.699 1.00 1.15 H new ATOM 0 HB2 TYR A 582 -5.268 0.858 -1.122 1.00 1.05 H new ATOM 0 HB3 TYR A 582 -5.270 2.397 -0.284 1.00 1.05 H new ATOM 0 HD1 TYR A 582 -5.781 4.508 -1.498 1.00 3.29 H new ATOM 0 HD2 TYR A 582 -6.041 0.663 -3.424 1.00 2.13 H new ATOM 0 HE1 TYR A 582 -7.172 5.509 -3.298 1.00 4.08 H new ATOM 0 HE2 TYR A 582 -7.484 1.649 -5.194 1.00 2.71 H new ATOM 0 HH TYR A 582 -8.011 5.147 -5.416 1.00 4.28 H new ATOM 793 N PHE A 583 -2.388 2.759 0.673 1.00 0.95 N ATOM 794 CA PHE A 583 -1.948 2.654 2.063 1.00 0.95 C ATOM 795 C PHE A 583 -2.420 3.848 2.891 1.00 0.86 C ATOM 796 O PHE A 583 -2.803 4.881 2.332 1.00 0.86 O ATOM 797 CB PHE A 583 -0.452 2.288 2.149 1.00 1.07 C ATOM 798 CG PHE A 583 0.693 3.278 1.980 1.00 1.09 C ATOM 799 CD1 PHE A 583 0.594 4.670 2.194 1.00 1.95 C ATOM 800 CD2 PHE A 583 1.957 2.723 1.704 1.00 2.43 C ATOM 801 CE1 PHE A 583 1.738 5.487 2.112 1.00 2.31 C ATOM 802 CE2 PHE A 583 3.101 3.533 1.633 1.00 2.70 C ATOM 803 CZ PHE A 583 2.993 4.919 1.834 1.00 2.02 C ATOM 0 H PHE A 583 -2.366 3.710 0.306 1.00 0.95 H new ATOM 0 HA PHE A 583 -2.441 1.810 2.547 1.00 0.95 H new ATOM 0 HB2 PHE A 583 -0.310 1.828 3.127 1.00 1.07 H new ATOM 0 HB3 PHE A 583 -0.289 1.509 1.404 1.00 1.07 H new ATOM 0 HD1 PHE A 583 -0.365 5.111 2.422 1.00 1.95 H new ATOM 0 HD2 PHE A 583 2.048 1.659 1.545 1.00 2.43 H new ATOM 0 HE1 PHE A 583 1.651 6.553 2.263 1.00 2.31 H new ATOM 0 HE2 PHE A 583 4.064 3.091 1.424 1.00 2.70 H new ATOM 0 HZ PHE A 583 3.871 5.546 1.775 1.00 2.02 H new ATOM 813 N ILE A 584 -2.463 3.690 4.213 1.00 0.88 N ATOM 814 CA ILE A 584 -3.230 4.575 5.098 1.00 0.85 C ATOM 815 C ILE A 584 -2.343 5.699 5.639 1.00 0.91 C ATOM 816 O ILE A 584 -1.495 5.447 6.496 1.00 1.00 O ATOM 817 CB ILE A 584 -3.928 3.762 6.221 1.00 0.91 C ATOM 818 CG1 ILE A 584 -4.668 2.528 5.652 1.00 0.87 C ATOM 819 CG2 ILE A 584 -4.941 4.700 6.916 1.00 0.88 C ATOM 820 CD1 ILE A 584 -5.382 1.688 6.707 1.00 0.93 C ATOM 0 H ILE A 584 -1.968 2.946 4.704 1.00 0.88 H new ATOM 0 HA ILE A 584 -4.023 5.052 4.522 1.00 0.85 H new ATOM 0 HB ILE A 584 -3.179 3.397 6.924 1.00 0.91 H new ATOM 0 HG12 ILE A 584 -5.398 2.863 4.915 1.00 0.87 H new ATOM 0 HG13 ILE A 584 -3.950 1.898 5.126 1.00 0.87 H new ATOM 0 HG21 ILE A 584 -5.451 4.159 7.713 1.00 0.88 H new ATOM 0 HG22 ILE A 584 -4.414 5.556 7.338 1.00 0.88 H new ATOM 0 HG23 ILE A 584 -5.674 5.048 6.188 1.00 0.88 H new ATOM 0 HD11 ILE A 584 -5.875 0.843 6.227 1.00 0.93 H new ATOM 0 HD12 ILE A 584 -4.656 1.320 7.432 1.00 0.93 H new ATOM 0 HD13 ILE A 584 -6.126 2.300 7.217 1.00 0.93 H new ATOM 832 N GLN A 585 -2.533 6.939 5.161 1.00 0.93 N ATOM 833 CA GLN A 585 -1.770 8.085 5.663 1.00 1.00 C ATOM 834 C GLN A 585 -2.272 8.557 7.031 1.00 1.11 C ATOM 835 O GLN A 585 -1.473 8.628 7.961 1.00 1.31 O ATOM 836 CB GLN A 585 -1.755 9.225 4.626 1.00 0.97 C ATOM 837 CG GLN A 585 -0.339 9.775 4.407 1.00 1.74 C ATOM 838 CD GLN A 585 0.172 10.759 5.461 1.00 2.63 C ATOM 839 OE1 GLN A 585 0.321 11.941 5.188 1.00 3.08 O ATOM 840 NE2 GLN A 585 0.486 10.348 6.670 1.00 3.78 N ATOM 0 H GLN A 585 -3.206 7.170 4.430 1.00 0.93 H new ATOM 0 HA GLN A 585 -0.741 7.759 5.813 1.00 1.00 H new ATOM 0 HB2 GLN A 585 -2.154 8.861 3.679 1.00 0.97 H new ATOM 0 HB3 GLN A 585 -2.410 10.029 4.960 1.00 0.97 H new ATOM 0 HG2 GLN A 585 0.352 8.934 4.360 1.00 1.74 H new ATOM 0 HG3 GLN A 585 -0.309 10.267 3.435 1.00 1.74 H new ATOM 0 HE21 GLN A 585 0.370 9.366 6.921 1.00 3.78 H new ATOM 0 HE22 GLN A 585 0.845 11.011 7.357 1.00 3.78 H new ATOM 849 N HIS A 586 -3.568 8.861 7.147 1.00 1.01 N ATOM 850 CA HIS A 586 -4.240 9.256 8.398 1.00 1.06 C ATOM 851 C HIS A 586 -5.749 8.944 8.361 1.00 0.90 C ATOM 852 O HIS A 586 -6.497 9.483 7.538 1.00 0.88 O ATOM 853 CB HIS A 586 -4.006 10.757 8.691 1.00 1.28 C ATOM 854 CG HIS A 586 -3.044 11.033 9.827 1.00 2.35 C ATOM 855 ND1 HIS A 586 -1.855 10.384 10.069 1.00 4.05 N ATOM 856 CD2 HIS A 586 -3.190 11.972 10.814 1.00 2.58 C ATOM 857 CE1 HIS A 586 -1.297 10.902 11.172 1.00 4.71 C ATOM 858 NE2 HIS A 586 -2.083 11.873 11.676 1.00 3.77 N ATOM 0 H HIS A 586 -4.203 8.840 6.349 1.00 1.01 H new ATOM 0 HA HIS A 586 -3.802 8.667 9.204 1.00 1.06 H new ATOM 0 HB2 HIS A 586 -3.628 11.236 7.788 1.00 1.28 H new ATOM 0 HB3 HIS A 586 -4.964 11.223 8.922 1.00 1.28 H new ATOM 0 HD1 HIS A 586 -1.463 9.632 9.502 1.00 4.05 H new ATOM 0 HD2 HIS A 586 -4.011 12.666 10.913 1.00 2.58 H new ATOM 0 HE1 HIS A 586 -0.355 10.587 11.595 1.00 4.71 H new ATOM 866 N GLY A 587 -6.214 8.096 9.279 1.00 0.89 N ATOM 867 CA GLY A 587 -7.620 7.738 9.456 1.00 0.85 C ATOM 868 C GLY A 587 -7.759 6.300 9.952 1.00 0.85 C ATOM 869 O GLY A 587 -6.768 5.667 10.314 1.00 1.00 O ATOM 0 H GLY A 587 -5.600 7.624 9.942 1.00 0.89 H new ATOM 0 HA2 GLY A 587 -8.086 8.419 10.168 1.00 0.85 H new ATOM 0 HA3 GLY A 587 -8.150 7.854 8.511 1.00 0.85 H new ATOM 873 N VAL A 588 -8.991 5.785 9.961 1.00 0.76 N ATOM 874 CA VAL A 588 -9.327 4.466 10.500 1.00 0.74 C ATOM 875 C VAL A 588 -10.280 3.746 9.541 1.00 0.66 C ATOM 876 O VAL A 588 -11.178 4.349 8.944 1.00 0.62 O ATOM 877 CB VAL A 588 -9.936 4.565 11.920 1.00 0.80 C ATOM 878 CG1 VAL A 588 -10.140 3.187 12.561 1.00 0.83 C ATOM 879 CG2 VAL A 588 -9.056 5.382 12.879 1.00 0.87 C ATOM 0 H VAL A 588 -9.798 6.283 9.586 1.00 0.76 H new ATOM 0 HA VAL A 588 -8.408 3.887 10.590 1.00 0.74 H new ATOM 0 HB VAL A 588 -10.896 5.061 11.776 1.00 0.80 H new ATOM 0 HG11 VAL A 588 -10.569 3.308 13.556 1.00 0.83 H new ATOM 0 HG12 VAL A 588 -10.816 2.595 11.944 1.00 0.83 H new ATOM 0 HG13 VAL A 588 -9.180 2.677 12.640 1.00 0.83 H new ATOM 0 HG21 VAL A 588 -9.527 5.421 13.861 1.00 0.87 H new ATOM 0 HG22 VAL A 588 -8.077 4.911 12.965 1.00 0.87 H new ATOM 0 HG23 VAL A 588 -8.939 6.394 12.492 1.00 0.87 H new ATOM 889 N VAL A 589 -10.091 2.440 9.397 1.00 0.68 N ATOM 890 CA VAL A 589 -10.983 1.519 8.675 1.00 0.61 C ATOM 891 C VAL A 589 -11.499 0.447 9.639 1.00 0.59 C ATOM 892 O VAL A 589 -10.791 0.052 10.559 1.00 0.65 O ATOM 893 CB VAL A 589 -10.305 0.907 7.428 1.00 0.66 C ATOM 894 CG1 VAL A 589 -9.885 1.967 6.398 1.00 0.78 C ATOM 895 CG2 VAL A 589 -9.053 0.110 7.785 1.00 0.68 C ATOM 0 H VAL A 589 -9.280 1.966 9.794 1.00 0.68 H new ATOM 0 HA VAL A 589 -11.835 2.085 8.298 1.00 0.61 H new ATOM 0 HB VAL A 589 -11.064 0.253 6.999 1.00 0.66 H new ATOM 0 HG11 VAL A 589 -9.415 1.479 5.544 1.00 0.78 H new ATOM 0 HG12 VAL A 589 -10.764 2.517 6.062 1.00 0.78 H new ATOM 0 HG13 VAL A 589 -9.178 2.659 6.855 1.00 0.78 H new ATOM 0 HG21 VAL A 589 -8.612 -0.300 6.877 1.00 0.68 H new ATOM 0 HG22 VAL A 589 -8.332 0.765 8.275 1.00 0.68 H new ATOM 0 HG23 VAL A 589 -9.320 -0.704 8.459 1.00 0.68 H new ATOM 905 N SER A 590 -12.712 -0.052 9.418 1.00 0.62 N ATOM 906 CA SER A 590 -13.318 -1.152 10.185 1.00 0.88 C ATOM 907 C SER A 590 -13.537 -2.314 9.230 1.00 1.08 C ATOM 908 O SER A 590 -14.009 -2.171 8.098 1.00 1.01 O ATOM 909 CB SER A 590 -14.630 -0.749 10.851 1.00 1.19 C ATOM 910 OG SER A 590 -14.349 0.290 11.766 1.00 1.37 O ATOM 0 H SER A 590 -13.322 0.303 8.682 1.00 0.62 H new ATOM 0 HA SER A 590 -12.645 -1.433 10.995 1.00 0.88 H new ATOM 0 HB2 SER A 590 -15.351 -0.416 10.104 1.00 1.19 H new ATOM 0 HB3 SER A 590 -15.075 -1.601 11.365 1.00 1.19 H new ATOM 0 HG SER A 590 -15.105 0.913 11.796 1.00 1.37 H new ATOM 916 N VAL A 591 -13.027 -3.456 9.644 1.00 1.34 N ATOM 917 CA VAL A 591 -12.304 -4.353 8.763 1.00 1.18 C ATOM 918 C VAL A 591 -12.603 -5.779 9.186 1.00 1.12 C ATOM 919 O VAL A 591 -12.789 -6.058 10.373 1.00 1.16 O ATOM 920 CB VAL A 591 -10.809 -3.988 8.883 1.00 1.34 C ATOM 921 CG1 VAL A 591 -10.370 -3.868 10.325 1.00 2.82 C ATOM 922 CG2 VAL A 591 -9.831 -5.032 8.442 1.00 1.15 C ATOM 0 H VAL A 591 -13.102 -3.790 10.605 1.00 1.34 H new ATOM 0 HA VAL A 591 -12.600 -4.261 7.718 1.00 1.18 H new ATOM 0 HB VAL A 591 -10.783 -3.087 8.270 1.00 1.34 H new ATOM 0 HG11 VAL A 591 -9.312 -3.610 10.363 1.00 2.82 H new ATOM 0 HG12 VAL A 591 -10.951 -3.089 10.819 1.00 2.82 H new ATOM 0 HG13 VAL A 591 -10.530 -4.818 10.834 1.00 2.82 H new ATOM 0 HG21 VAL A 591 -8.816 -4.658 8.574 1.00 1.15 H new ATOM 0 HG22 VAL A 591 -9.967 -5.933 9.040 1.00 1.15 H new ATOM 0 HG23 VAL A 591 -9.997 -5.265 7.390 1.00 1.15 H new ATOM 932 N LEU A 592 -12.561 -6.689 8.229 1.00 1.20 N ATOM 933 CA LEU A 592 -12.368 -8.101 8.511 1.00 1.55 C ATOM 934 C LEU A 592 -11.078 -8.545 7.812 1.00 1.65 C ATOM 935 O LEU A 592 -10.929 -8.262 6.623 1.00 1.48 O ATOM 936 CB LEU A 592 -13.565 -8.922 7.972 1.00 1.95 C ATOM 937 CG LEU A 592 -15.000 -8.688 8.492 1.00 2.17 C ATOM 938 CD1 LEU A 592 -15.100 -8.750 10.011 1.00 2.37 C ATOM 939 CD2 LEU A 592 -15.677 -7.399 8.023 1.00 2.04 C ATOM 0 H LEU A 592 -12.659 -6.471 7.237 1.00 1.20 H new ATOM 0 HA LEU A 592 -12.299 -8.265 9.586 1.00 1.55 H new ATOM 0 HB2 LEU A 592 -13.591 -8.774 6.892 1.00 1.95 H new ATOM 0 HB3 LEU A 592 -13.332 -9.973 8.144 1.00 1.95 H new ATOM 0 HG LEU A 592 -15.539 -9.520 8.039 1.00 2.17 H new ATOM 0 HD11 LEU A 592 -16.133 -8.578 10.315 1.00 2.37 H new ATOM 0 HD12 LEU A 592 -14.779 -9.732 10.357 1.00 2.37 H new ATOM 0 HD13 LEU A 592 -14.460 -7.984 10.449 1.00 2.37 H new ATOM 0 HD21 LEU A 592 -16.679 -7.339 8.448 1.00 2.04 H new ATOM 0 HD22 LEU A 592 -15.091 -6.540 8.351 1.00 2.04 H new ATOM 0 HD23 LEU A 592 -15.744 -7.398 6.935 1.00 2.04 H new ATOM 951 N THR A 593 -10.171 -9.268 8.477 1.00 2.12 N ATOM 952 CA THR A 593 -9.153 -10.062 7.738 1.00 2.39 C ATOM 953 C THR A 593 -9.627 -11.504 7.522 1.00 2.70 C ATOM 954 O THR A 593 -10.199 -12.109 8.430 1.00 2.94 O ATOM 955 CB THR A 593 -7.743 -9.958 8.345 1.00 2.70 C ATOM 956 OG1 THR A 593 -7.743 -9.872 9.751 1.00 2.78 O ATOM 957 CG2 THR A 593 -7.061 -8.686 7.839 1.00 2.63 C ATOM 0 H THR A 593 -10.110 -9.328 9.493 1.00 2.12 H new ATOM 0 HA THR A 593 -9.051 -9.615 6.749 1.00 2.39 H new ATOM 0 HB THR A 593 -7.224 -10.868 8.044 1.00 2.70 H new ATOM 0 HG1 THR A 593 -6.820 -9.810 10.075 1.00 2.78 H new ATOM 0 HG21 THR A 593 -6.062 -8.613 8.269 1.00 2.63 H new ATOM 0 HG22 THR A 593 -6.986 -8.721 6.752 1.00 2.63 H new ATOM 0 HG23 THR A 593 -7.648 -7.816 8.134 1.00 2.63 H new ATOM 965 N LYS A 594 -9.467 -12.061 6.311 1.00 2.75 N ATOM 966 CA LYS A 594 -10.247 -13.231 5.830 1.00 2.88 C ATOM 967 C LYS A 594 -9.832 -14.595 6.396 1.00 3.32 C ATOM 968 O LYS A 594 -10.654 -15.515 6.413 1.00 3.33 O ATOM 969 CB LYS A 594 -10.350 -13.256 4.292 1.00 2.75 C ATOM 970 CG LYS A 594 -9.019 -13.183 3.522 1.00 3.11 C ATOM 971 CD LYS A 594 -8.811 -11.795 2.890 1.00 3.26 C ATOM 972 CE LYS A 594 -7.424 -11.623 2.267 1.00 4.09 C ATOM 973 NZ LYS A 594 -7.160 -12.578 1.173 1.00 4.37 N ATOM 0 H LYS A 594 -8.792 -11.717 5.629 1.00 2.75 H new ATOM 0 HA LYS A 594 -11.241 -13.070 6.246 1.00 2.88 H new ATOM 0 HB2 LYS A 594 -10.867 -14.170 3.998 1.00 2.75 H new ATOM 0 HB3 LYS A 594 -10.975 -12.421 3.977 1.00 2.75 H new ATOM 0 HG2 LYS A 594 -8.193 -13.404 4.198 1.00 3.11 H new ATOM 0 HG3 LYS A 594 -9.005 -13.945 2.743 1.00 3.11 H new ATOM 0 HD2 LYS A 594 -9.570 -11.633 2.124 1.00 3.26 H new ATOM 0 HD3 LYS A 594 -8.959 -11.029 3.652 1.00 3.26 H new ATOM 0 HE2 LYS A 594 -7.327 -10.607 1.886 1.00 4.09 H new ATOM 0 HE3 LYS A 594 -6.666 -11.747 3.041 1.00 4.09 H new ATOM 0 HZ1 LYS A 594 -6.207 -12.413 0.791 1.00 4.37 H new ATOM 0 HZ2 LYS A 594 -7.224 -13.550 1.538 1.00 4.37 H new ATOM 0 HZ3 LYS A 594 -7.863 -12.445 0.419 1.00 4.37 H new ATOM 987 N GLY A 595 -8.615 -14.732 6.923 1.00 4.50 N ATOM 988 CA GLY A 595 -8.235 -15.843 7.812 1.00 5.02 C ATOM 989 C GLY A 595 -8.811 -15.732 9.229 1.00 4.79 C ATOM 990 O GLY A 595 -8.866 -16.710 9.977 1.00 5.12 O ATOM 0 H GLY A 595 -7.856 -14.073 6.747 1.00 4.50 H new ATOM 0 HA2 GLY A 595 -8.568 -16.781 7.368 1.00 5.02 H new ATOM 0 HA3 GLY A 595 -7.148 -15.889 7.875 1.00 5.02 H new ATOM 994 N ASN A 596 -9.207 -14.523 9.619 1.00 4.24 N ATOM 995 CA ASN A 596 -9.055 -14.013 10.975 1.00 4.06 C ATOM 996 C ASN A 596 -10.338 -13.294 11.444 1.00 3.65 C ATOM 997 O ASN A 596 -11.449 -13.738 11.135 1.00 3.77 O ATOM 998 CB ASN A 596 -7.833 -13.082 10.957 1.00 3.90 C ATOM 999 CG ASN A 596 -6.535 -13.653 10.419 1.00 4.33 C ATOM 1000 OD1 ASN A 596 -6.225 -14.831 10.534 1.00 4.92 O ATOM 1001 ND2 ASN A 596 -5.685 -12.819 9.887 1.00 4.18 N ATOM 0 H ASN A 596 -9.652 -13.858 8.986 1.00 4.24 H new ATOM 0 HA ASN A 596 -8.898 -14.821 11.690 1.00 4.06 H new ATOM 0 HB2 ASN A 596 -8.087 -12.203 10.365 1.00 3.90 H new ATOM 0 HB3 ASN A 596 -7.655 -12.739 11.976 1.00 3.90 H new ATOM 0 HD21 ASN A 596 -4.773 -13.151 9.572 1.00 4.18 H new ATOM 0 HD22 ASN A 596 -5.932 -11.835 9.786 1.00 4.18 H new ATOM 1008 N LYS A 597 -10.201 -12.241 12.264 1.00 3.29 N ATOM 1009 CA LYS A 597 -11.291 -11.586 12.985 1.00 2.95 C ATOM 1010 C LYS A 597 -11.733 -10.244 12.409 1.00 2.35 C ATOM 1011 O LYS A 597 -11.091 -9.674 11.523 1.00 2.17 O ATOM 1012 CB LYS A 597 -10.962 -11.486 14.493 1.00 3.05 C ATOM 1013 CG LYS A 597 -10.346 -12.744 15.142 1.00 3.77 C ATOM 1014 CD LYS A 597 -8.812 -12.813 14.994 1.00 4.38 C ATOM 1015 CE LYS A 597 -8.315 -14.063 14.284 1.00 4.24 C ATOM 1016 NZ LYS A 597 -8.460 -15.279 15.110 1.00 4.29 N ATOM 0 H LYS A 597 -9.294 -11.811 12.446 1.00 3.29 H new ATOM 0 HA LYS A 597 -12.160 -12.230 12.850 1.00 2.95 H new ATOM 0 HB2 LYS A 597 -10.274 -10.654 14.639 1.00 3.05 H new ATOM 0 HB3 LYS A 597 -11.879 -11.239 15.028 1.00 3.05 H new ATOM 0 HG2 LYS A 597 -10.604 -12.762 16.201 1.00 3.77 H new ATOM 0 HG3 LYS A 597 -10.789 -13.632 14.691 1.00 3.77 H new ATOM 0 HD2 LYS A 597 -8.470 -11.936 14.445 1.00 4.38 H new ATOM 0 HD3 LYS A 597 -8.359 -12.766 15.984 1.00 4.38 H new ATOM 0 HE2 LYS A 597 -8.867 -14.192 13.353 1.00 4.24 H new ATOM 0 HE3 LYS A 597 -7.266 -13.932 14.017 1.00 4.24 H new ATOM 0 HZ1 LYS A 597 -8.107 -16.102 14.581 1.00 4.29 H new ATOM 0 HZ2 LYS A 597 -7.912 -15.170 15.987 1.00 4.29 H new ATOM 0 HZ3 LYS A 597 -9.463 -15.422 15.344 1.00 4.29 H new ATOM 1030 N GLU A 598 -12.813 -9.716 12.985 1.00 2.21 N ATOM 1031 CA GLU A 598 -13.104 -8.287 12.895 1.00 1.87 C ATOM 1032 C GLU A 598 -12.031 -7.460 13.612 1.00 1.65 C ATOM 1033 O GLU A 598 -11.568 -7.811 14.699 1.00 1.92 O ATOM 1034 CB GLU A 598 -14.520 -7.901 13.389 1.00 2.27 C ATOM 1035 CG GLU A 598 -14.781 -8.158 14.886 1.00 3.09 C ATOM 1036 CD GLU A 598 -16.079 -7.506 15.386 1.00 3.39 C ATOM 1037 OE1 GLU A 598 -16.191 -6.254 15.319 1.00 3.71 O ATOM 1038 OE2 GLU A 598 -16.956 -8.223 15.930 1.00 4.15 O ATOM 0 H GLU A 598 -13.497 -10.254 13.516 1.00 2.21 H new ATOM 0 HA GLU A 598 -13.085 -8.050 11.831 1.00 1.87 H new ATOM 0 HB2 GLU A 598 -14.684 -6.843 13.184 1.00 2.27 H new ATOM 0 HB3 GLU A 598 -15.255 -8.457 12.807 1.00 2.27 H new ATOM 0 HG2 GLU A 598 -14.829 -9.233 15.062 1.00 3.09 H new ATOM 0 HG3 GLU A 598 -13.941 -7.777 15.467 1.00 3.09 H new ATOM 1045 N MET A 599 -11.656 -6.337 13.010 1.00 1.29 N ATOM 1046 CA MET A 599 -10.789 -5.322 13.602 1.00 1.19 C ATOM 1047 C MET A 599 -11.285 -3.915 13.269 1.00 1.19 C ATOM 1048 O MET A 599 -12.275 -3.728 12.551 1.00 1.67 O ATOM 1049 CB MET A 599 -9.300 -5.521 13.255 1.00 1.47 C ATOM 1050 CG MET A 599 -8.778 -6.956 13.316 1.00 1.53 C ATOM 1051 SD MET A 599 -7.109 -7.117 12.629 1.00 2.17 S ATOM 1052 CE MET A 599 -7.527 -6.910 10.879 1.00 2.06 C ATOM 0 H MET A 599 -11.957 -6.099 12.065 1.00 1.29 H new ATOM 0 HA MET A 599 -10.850 -5.445 14.683 1.00 1.19 H new ATOM 0 HB2 MET A 599 -9.128 -5.137 12.250 1.00 1.47 H new ATOM 0 HB3 MET A 599 -8.705 -4.911 13.935 1.00 1.47 H new ATOM 0 HG2 MET A 599 -8.775 -7.294 14.352 1.00 1.53 H new ATOM 0 HG3 MET A 599 -9.457 -7.610 12.769 1.00 1.53 H new ATOM 0 HE1 MET A 599 -6.670 -7.186 10.265 1.00 2.06 H new ATOM 0 HE2 MET A 599 -8.374 -7.549 10.629 1.00 2.06 H new ATOM 0 HE3 MET A 599 -7.789 -5.869 10.688 1.00 2.06 H new ATOM 1062 N LYS A 600 -10.587 -2.923 13.813 1.00 0.99 N ATOM 1063 CA LYS A 600 -10.161 -1.738 13.091 1.00 0.83 C ATOM 1064 C LYS A 600 -8.711 -1.848 12.640 1.00 0.84 C ATOM 1065 O LYS A 600 -7.909 -2.592 13.204 1.00 1.01 O ATOM 1066 CB LYS A 600 -10.315 -0.475 13.969 1.00 1.05 C ATOM 1067 CG LYS A 600 -11.705 0.165 14.012 1.00 0.92 C ATOM 1068 CD LYS A 600 -12.857 -0.785 14.311 1.00 1.16 C ATOM 1069 CE LYS A 600 -12.688 -1.440 15.690 1.00 1.65 C ATOM 1070 NZ LYS A 600 -13.771 -2.394 16.031 1.00 2.48 N ATOM 0 H LYS A 600 -10.297 -2.925 14.791 1.00 0.99 H new ATOM 0 HA LYS A 600 -10.800 -1.656 12.212 1.00 0.83 H new ATOM 0 HB2 LYS A 600 -10.026 -0.732 14.988 1.00 1.05 H new ATOM 0 HB3 LYS A 600 -9.606 0.274 13.616 1.00 1.05 H new ATOM 0 HG2 LYS A 600 -11.700 0.951 14.767 1.00 0.92 H new ATOM 0 HG3 LYS A 600 -11.894 0.646 13.052 1.00 0.92 H new ATOM 0 HD2 LYS A 600 -13.800 -0.240 14.277 1.00 1.16 H new ATOM 0 HD3 LYS A 600 -12.906 -1.556 13.542 1.00 1.16 H new ATOM 0 HE2 LYS A 600 -11.732 -1.963 15.720 1.00 1.65 H new ATOM 0 HE3 LYS A 600 -12.649 -0.660 16.451 1.00 1.65 H new ATOM 0 HZ1 LYS A 600 -13.594 -2.798 16.973 1.00 2.48 H new ATOM 0 HZ2 LYS A 600 -14.684 -1.896 16.034 1.00 2.48 H new ATOM 0 HZ3 LYS A 600 -13.796 -3.158 15.326 1.00 2.48 H new ATOM 1084 N LEU A 601 -8.423 -1.061 11.621 1.00 0.77 N ATOM 1085 CA LEU A 601 -7.080 -0.747 11.116 1.00 0.83 C ATOM 1086 C LEU A 601 -6.887 0.772 11.057 1.00 0.82 C ATOM 1087 O LEU A 601 -7.827 1.504 10.760 1.00 0.82 O ATOM 1088 CB LEU A 601 -6.868 -1.363 9.715 1.00 0.90 C ATOM 1089 CG LEU A 601 -5.717 -2.362 9.604 1.00 0.90 C ATOM 1090 CD1 LEU A 601 -6.092 -3.657 10.308 1.00 0.93 C ATOM 1091 CD2 LEU A 601 -5.470 -2.681 8.129 1.00 0.96 C ATOM 0 H LEU A 601 -9.154 -0.592 11.086 1.00 0.77 H new ATOM 0 HA LEU A 601 -6.344 -1.175 11.796 1.00 0.83 H new ATOM 0 HB2 LEU A 601 -7.789 -1.861 9.413 1.00 0.90 H new ATOM 0 HB3 LEU A 601 -6.695 -0.555 9.004 1.00 0.90 H new ATOM 0 HG LEU A 601 -4.826 -1.930 10.060 1.00 0.90 H new ATOM 0 HD11 LEU A 601 -5.269 -4.367 10.227 1.00 0.93 H new ATOM 0 HD12 LEU A 601 -6.294 -3.454 11.360 1.00 0.93 H new ATOM 0 HD13 LEU A 601 -6.983 -4.079 9.843 1.00 0.93 H new ATOM 0 HD21 LEU A 601 -4.650 -3.394 8.043 1.00 0.96 H new ATOM 0 HD22 LEU A 601 -6.372 -3.112 7.694 1.00 0.96 H new ATOM 0 HD23 LEU A 601 -5.212 -1.765 7.597 1.00 0.96 H new ATOM 1103 N SER A 602 -5.660 1.244 11.247 1.00 0.90 N ATOM 1104 CA SER A 602 -5.309 2.668 11.198 1.00 1.05 C ATOM 1105 C SER A 602 -3.955 2.873 10.503 1.00 1.25 C ATOM 1106 O SER A 602 -3.378 1.935 9.939 1.00 1.34 O ATOM 1107 CB SER A 602 -5.413 3.239 12.621 1.00 1.06 C ATOM 1108 OG SER A 602 -5.097 4.618 12.723 1.00 2.46 O ATOM 0 H SER A 602 -4.862 0.640 11.444 1.00 0.90 H new ATOM 0 HA SER A 602 -6.008 3.234 10.582 1.00 1.05 H new ATOM 0 HB2 SER A 602 -6.427 3.083 12.989 1.00 1.06 H new ATOM 0 HB3 SER A 602 -4.746 2.677 13.275 1.00 1.06 H new ATOM 0 HG SER A 602 -5.569 5.114 12.022 1.00 2.46 H new ATOM 1114 N ASP A 603 -3.500 4.125 10.461 1.00 1.43 N ATOM 1115 CA ASP A 603 -2.344 4.618 9.696 1.00 1.63 C ATOM 1116 C ASP A 603 -1.094 3.720 9.739 1.00 1.79 C ATOM 1117 O ASP A 603 -0.834 3.010 10.716 1.00 2.01 O ATOM 1118 CB ASP A 603 -1.990 6.056 10.093 1.00 1.88 C ATOM 1119 CG ASP A 603 -1.447 6.184 11.517 1.00 2.07 C ATOM 1120 OD1 ASP A 603 -0.216 6.043 11.721 1.00 3.60 O ATOM 1121 OD2 ASP A 603 -2.244 6.485 12.437 1.00 1.85 O ATOM 0 H ASP A 603 -3.952 4.870 10.990 1.00 1.43 H new ATOM 0 HA ASP A 603 -2.675 4.593 8.658 1.00 1.63 H new ATOM 0 HB2 ASP A 603 -1.249 6.444 9.395 1.00 1.88 H new ATOM 0 HB3 ASP A 603 -2.878 6.680 9.995 1.00 1.88 H new ATOM 1126 N GLY A 604 -0.323 3.736 8.648 1.00 1.72 N ATOM 1127 CA GLY A 604 0.856 2.879 8.474 1.00 1.82 C ATOM 1128 C GLY A 604 0.567 1.462 7.967 1.00 1.80 C ATOM 1129 O GLY A 604 1.496 0.734 7.607 1.00 1.98 O ATOM 0 H GLY A 604 -0.500 4.349 7.853 1.00 1.72 H new ATOM 0 HA2 GLY A 604 1.538 3.365 7.776 1.00 1.82 H new ATOM 0 HA3 GLY A 604 1.376 2.806 9.429 1.00 1.82 H new ATOM 1133 N SER A 605 -0.711 1.084 7.917 1.00 1.64 N ATOM 1134 CA SER A 605 -1.217 -0.151 7.312 1.00 1.59 C ATOM 1135 C SER A 605 -1.404 -0.006 5.796 1.00 1.45 C ATOM 1136 O SER A 605 -1.543 1.113 5.291 1.00 1.28 O ATOM 1137 CB SER A 605 -2.553 -0.514 7.957 1.00 1.48 C ATOM 1138 OG SER A 605 -2.430 -0.620 9.365 1.00 1.59 O ATOM 0 H SER A 605 -1.456 1.656 8.315 1.00 1.64 H new ATOM 0 HA SER A 605 -0.484 -0.939 7.484 1.00 1.59 H new ATOM 0 HB2 SER A 605 -3.297 0.244 7.710 1.00 1.48 H new ATOM 0 HB3 SER A 605 -2.912 -1.458 7.549 1.00 1.48 H new ATOM 0 HG SER A 605 -2.725 0.216 9.783 1.00 1.59 H new ATOM 1144 N TYR A 606 -1.434 -1.121 5.061 1.00 1.55 N ATOM 1145 CA TYR A 606 -1.464 -1.114 3.588 1.00 1.52 C ATOM 1146 C TYR A 606 -2.206 -2.304 2.957 1.00 1.69 C ATOM 1147 O TYR A 606 -2.147 -3.422 3.470 1.00 2.02 O ATOM 1148 CB TYR A 606 -0.024 -1.033 3.065 1.00 1.60 C ATOM 1149 CG TYR A 606 0.867 -2.222 3.354 1.00 1.78 C ATOM 1150 CD1 TYR A 606 1.623 -2.253 4.542 1.00 1.68 C ATOM 1151 CD2 TYR A 606 0.964 -3.280 2.428 1.00 3.40 C ATOM 1152 CE1 TYR A 606 2.481 -3.336 4.801 1.00 2.22 C ATOM 1153 CE2 TYR A 606 1.830 -4.360 2.680 1.00 3.93 C ATOM 1154 CZ TYR A 606 2.592 -4.390 3.868 1.00 3.03 C ATOM 1155 OH TYR A 606 3.450 -5.412 4.111 1.00 3.80 O ATOM 0 H TYR A 606 -1.438 -2.057 5.467 1.00 1.55 H new ATOM 0 HA TYR A 606 -2.039 -0.238 3.288 1.00 1.52 H new ATOM 0 HB2 TYR A 606 -0.061 -0.889 1.985 1.00 1.60 H new ATOM 0 HB3 TYR A 606 0.444 -0.145 3.490 1.00 1.60 H new ATOM 0 HD1 TYR A 606 1.544 -1.445 5.254 1.00 1.68 H new ATOM 0 HD2 TYR A 606 0.373 -3.262 1.524 1.00 3.40 H new ATOM 0 HE1 TYR A 606 3.056 -3.362 5.715 1.00 2.22 H new ATOM 0 HE2 TYR A 606 1.912 -5.165 1.965 1.00 3.93 H new ATOM 0 HH TYR A 606 3.408 -6.057 3.374 1.00 3.80 H new ATOM 1165 N PHE A 607 -2.883 -2.064 1.825 1.00 1.55 N ATOM 1166 CA PHE A 607 -3.683 -3.081 1.112 1.00 1.72 C ATOM 1167 C PHE A 607 -3.844 -2.846 -0.412 1.00 2.09 C ATOM 1168 O PHE A 607 -3.391 -1.851 -0.982 1.00 2.44 O ATOM 1169 CB PHE A 607 -5.048 -3.224 1.820 1.00 1.49 C ATOM 1170 CG PHE A 607 -5.720 -1.930 2.240 1.00 1.28 C ATOM 1171 CD1 PHE A 607 -6.129 -0.984 1.280 1.00 2.52 C ATOM 1172 CD2 PHE A 607 -5.954 -1.684 3.606 1.00 1.63 C ATOM 1173 CE1 PHE A 607 -6.744 0.211 1.687 1.00 2.52 C ATOM 1174 CE2 PHE A 607 -6.580 -0.494 4.010 1.00 1.67 C ATOM 1175 CZ PHE A 607 -6.945 0.467 3.055 1.00 1.34 C ATOM 0 H PHE A 607 -2.893 -1.151 1.371 1.00 1.55 H new ATOM 0 HA PHE A 607 -3.125 -4.016 1.164 1.00 1.72 H new ATOM 0 HB2 PHE A 607 -5.724 -3.762 1.156 1.00 1.49 H new ATOM 0 HB3 PHE A 607 -4.912 -3.843 2.706 1.00 1.49 H new ATOM 0 HD1 PHE A 607 -5.969 -1.178 0.230 1.00 2.52 H new ATOM 0 HD2 PHE A 607 -5.652 -2.412 4.344 1.00 1.63 H new ATOM 0 HE1 PHE A 607 -7.062 0.933 0.950 1.00 2.52 H new ATOM 0 HE2 PHE A 607 -6.781 -0.318 5.057 1.00 1.67 H new ATOM 0 HZ PHE A 607 -7.380 1.404 3.371 1.00 1.34 H new ATOM 1185 N GLY A 608 -4.494 -3.796 -1.089 1.00 2.33 N ATOM 1186 CA GLY A 608 -4.751 -3.797 -2.535 1.00 2.82 C ATOM 1187 C GLY A 608 -5.348 -5.139 -2.966 1.00 3.50 C ATOM 1188 O GLY A 608 -6.338 -5.584 -2.393 1.00 4.34 O ATOM 0 H GLY A 608 -4.873 -4.622 -0.626 1.00 2.33 H new ATOM 0 HA2 GLY A 608 -5.435 -2.988 -2.790 1.00 2.82 H new ATOM 0 HA3 GLY A 608 -3.823 -3.613 -3.077 1.00 2.82 H new ATOM 1192 N GLU A 609 -4.734 -5.825 -3.930 1.00 4.04 N ATOM 1193 CA GLU A 609 -4.730 -7.300 -3.980 1.00 4.44 C ATOM 1194 C GLU A 609 -3.413 -7.895 -3.424 1.00 3.49 C ATOM 1195 O GLU A 609 -3.361 -9.055 -3.012 1.00 3.86 O ATOM 1196 CB GLU A 609 -5.043 -7.772 -5.419 1.00 5.65 C ATOM 1197 CG GLU A 609 -3.863 -7.965 -6.393 1.00 6.50 C ATOM 1198 CD GLU A 609 -3.105 -6.687 -6.791 1.00 7.80 C ATOM 1199 OE1 GLU A 609 -2.781 -5.859 -5.904 1.00 8.00 O ATOM 1200 OE2 GLU A 609 -2.785 -6.556 -7.993 1.00 9.19 O ATOM 0 H GLU A 609 -4.226 -5.384 -4.697 1.00 4.04 H new ATOM 0 HA GLU A 609 -5.516 -7.677 -3.326 1.00 4.44 H new ATOM 0 HB2 GLU A 609 -5.577 -8.720 -5.350 1.00 5.65 H new ATOM 0 HB3 GLU A 609 -5.729 -7.051 -5.865 1.00 5.65 H new ATOM 0 HG2 GLU A 609 -3.154 -8.659 -5.942 1.00 6.50 H new ATOM 0 HG3 GLU A 609 -4.239 -8.439 -7.300 1.00 6.50 H new ATOM 1207 N ILE A 610 -2.370 -7.062 -3.400 1.00 3.18 N ATOM 1208 CA ILE A 610 -0.945 -7.383 -3.450 1.00 2.90 C ATOM 1209 C ILE A 610 -0.606 -8.182 -4.712 1.00 3.00 C ATOM 1210 O ILE A 610 -0.723 -9.401 -4.769 1.00 3.85 O ATOM 1211 CB ILE A 610 -0.337 -7.974 -2.155 1.00 3.17 C ATOM 1212 CG1 ILE A 610 -0.332 -6.991 -0.957 1.00 4.28 C ATOM 1213 CG2 ILE A 610 1.141 -8.332 -2.444 1.00 3.43 C ATOM 1214 CD1 ILE A 610 -1.705 -6.563 -0.425 1.00 5.72 C ATOM 0 H ILE A 610 -2.517 -6.054 -3.340 1.00 3.18 H new ATOM 0 HA ILE A 610 -0.437 -6.421 -3.516 1.00 2.90 H new ATOM 0 HB ILE A 610 -0.954 -8.830 -1.882 1.00 3.17 H new ATOM 0 HG12 ILE A 610 0.224 -7.450 -0.140 1.00 4.28 H new ATOM 0 HG13 ILE A 610 0.215 -6.096 -1.251 1.00 4.28 H new ATOM 0 HG21 ILE A 610 1.596 -8.752 -1.547 1.00 3.43 H new ATOM 0 HG22 ILE A 610 1.187 -9.064 -3.250 1.00 3.43 H new ATOM 0 HG23 ILE A 610 1.682 -7.433 -2.739 1.00 3.43 H new ATOM 0 HD11 ILE A 610 -1.573 -5.876 0.411 1.00 5.72 H new ATOM 0 HD12 ILE A 610 -2.264 -6.066 -1.218 1.00 5.72 H new ATOM 0 HD13 ILE A 610 -2.255 -7.442 -0.089 1.00 5.72 H new ATOM 1226 N CYS A 611 -0.090 -7.450 -5.696 1.00 3.09 N ATOM 1227 CA CYS A 611 0.745 -7.952 -6.777 1.00 3.31 C ATOM 1228 C CYS A 611 2.177 -7.417 -6.595 1.00 2.19 C ATOM 1229 O CYS A 611 2.996 -8.054 -5.927 1.00 1.99 O ATOM 1230 CB CYS A 611 0.080 -7.582 -8.101 1.00 4.95 C ATOM 1231 SG CYS A 611 1.167 -7.906 -9.521 1.00 6.33 S ATOM 0 H CYS A 611 -0.252 -6.445 -5.762 1.00 3.09 H new ATOM 0 HA CYS A 611 0.837 -9.038 -6.770 1.00 3.31 H new ATOM 0 HB2 CYS A 611 -0.844 -8.150 -8.214 1.00 4.95 H new ATOM 0 HB3 CYS A 611 -0.194 -6.527 -8.087 1.00 4.95 H new ATOM 0 HG CYS A 611 1.558 -9.146 -9.495 1.00 6.33 H new ATOM 1237 N LEU A 612 2.470 -6.236 -7.155 1.00 2.66 N ATOM 1238 CA LEU A 612 3.793 -5.643 -7.399 1.00 2.10 C ATOM 1239 C LEU A 612 4.726 -6.514 -8.251 1.00 2.20 C ATOM 1240 O LEU A 612 5.111 -6.096 -9.346 1.00 2.40 O ATOM 1241 CB LEU A 612 4.404 -5.091 -6.093 1.00 2.06 C ATOM 1242 CG LEU A 612 3.851 -3.693 -5.756 1.00 2.32 C ATOM 1243 CD1 LEU A 612 3.932 -3.405 -4.258 1.00 3.24 C ATOM 1244 CD2 LEU A 612 4.660 -2.619 -6.488 1.00 1.56 C ATOM 0 H LEU A 612 1.725 -5.618 -7.476 1.00 2.66 H new ATOM 0 HA LEU A 612 3.646 -4.777 -8.044 1.00 2.10 H new ATOM 0 HB2 LEU A 612 4.190 -5.776 -5.272 1.00 2.06 H new ATOM 0 HB3 LEU A 612 5.488 -5.040 -6.191 1.00 2.06 H new ATOM 0 HG LEU A 612 2.808 -3.674 -6.071 1.00 2.32 H new ATOM 0 HD11 LEU A 612 3.533 -2.411 -4.057 1.00 3.24 H new ATOM 0 HD12 LEU A 612 3.349 -4.147 -3.713 1.00 3.24 H new ATOM 0 HD13 LEU A 612 4.972 -3.452 -3.934 1.00 3.24 H new ATOM 0 HD21 LEU A 612 4.262 -1.634 -6.244 1.00 1.56 H new ATOM 0 HD22 LEU A 612 5.704 -2.676 -6.179 1.00 1.56 H new ATOM 0 HD23 LEU A 612 4.591 -2.782 -7.564 1.00 1.56 H new ATOM 1256 N LEU A 613 5.020 -7.724 -7.780 1.00 2.28 N ATOM 1257 CA LEU A 613 5.746 -8.786 -8.479 1.00 2.53 C ATOM 1258 C LEU A 613 4.982 -10.127 -8.440 1.00 2.29 C ATOM 1259 O LEU A 613 5.192 -10.970 -9.314 1.00 2.84 O ATOM 1260 CB LEU A 613 7.159 -8.943 -7.873 1.00 2.88 C ATOM 1261 CG LEU A 613 7.958 -7.629 -7.724 1.00 4.04 C ATOM 1262 CD1 LEU A 613 7.776 -6.984 -6.344 1.00 4.27 C ATOM 1263 CD2 LEU A 613 9.454 -7.876 -7.900 1.00 4.98 C ATOM 0 H LEU A 613 4.741 -8.008 -6.841 1.00 2.28 H new ATOM 0 HA LEU A 613 5.836 -8.499 -9.527 1.00 2.53 H new ATOM 0 HB2 LEU A 613 7.067 -9.407 -6.891 1.00 2.88 H new ATOM 0 HB3 LEU A 613 7.731 -9.629 -8.498 1.00 2.88 H new ATOM 0 HG LEU A 613 7.571 -6.964 -8.496 1.00 4.04 H new ATOM 0 HD11 LEU A 613 8.359 -6.064 -6.293 1.00 4.27 H new ATOM 0 HD12 LEU A 613 6.722 -6.755 -6.185 1.00 4.27 H new ATOM 0 HD13 LEU A 613 8.118 -7.674 -5.572 1.00 4.27 H new ATOM 0 HD21 LEU A 613 9.993 -6.935 -7.790 1.00 4.98 H new ATOM 0 HD22 LEU A 613 9.798 -8.582 -7.144 1.00 4.98 H new ATOM 0 HD23 LEU A 613 9.641 -8.288 -8.892 1.00 4.98 H new ATOM 1275 N THR A 614 4.084 -10.313 -7.459 1.00 1.66 N ATOM 1276 CA THR A 614 3.368 -11.583 -7.192 1.00 1.51 C ATOM 1277 C THR A 614 2.142 -11.799 -8.099 1.00 1.62 C ATOM 1278 O THR A 614 1.786 -10.919 -8.890 1.00 2.01 O ATOM 1279 CB THR A 614 3.080 -11.797 -5.686 1.00 1.78 C ATOM 1280 OG1 THR A 614 3.066 -13.181 -5.422 1.00 2.68 O ATOM 1281 CG2 THR A 614 1.766 -11.246 -5.151 1.00 2.28 C ATOM 0 H THR A 614 3.825 -9.569 -6.810 1.00 1.66 H new ATOM 0 HA THR A 614 4.056 -12.380 -7.473 1.00 1.51 H new ATOM 0 HB THR A 614 3.873 -11.241 -5.185 1.00 1.78 H new ATOM 0 HG1 THR A 614 2.886 -13.331 -4.470 1.00 2.68 H new ATOM 0 HG21 THR A 614 1.688 -11.462 -4.086 1.00 2.28 H new ATOM 0 HG22 THR A 614 1.734 -10.168 -5.306 1.00 2.28 H new ATOM 0 HG23 THR A 614 0.934 -11.713 -5.678 1.00 2.28 H new ATOM 1289 N ARG A 615 1.518 -12.986 -8.042 1.00 1.76 N ATOM 1290 CA ARG A 615 0.432 -13.421 -8.946 1.00 2.14 C ATOM 1291 C ARG A 615 -0.852 -13.876 -8.232 1.00 2.07 C ATOM 1292 O ARG A 615 -0.815 -14.302 -7.078 1.00 2.47 O ATOM 1293 CB ARG A 615 0.980 -14.466 -9.937 1.00 3.00 C ATOM 1294 CG ARG A 615 1.495 -15.766 -9.290 1.00 4.07 C ATOM 1295 CD ARG A 615 1.985 -16.796 -10.322 1.00 4.91 C ATOM 1296 NE ARG A 615 3.172 -16.328 -11.068 1.00 5.00 N ATOM 1297 CZ ARG A 615 3.191 -15.661 -12.210 1.00 5.27 C ATOM 1298 NH1 ARG A 615 2.142 -15.458 -12.953 1.00 5.56 N ATOM 1299 NH2 ARG A 615 4.292 -15.138 -12.648 1.00 6.00 N ATOM 0 H ARG A 615 1.759 -13.693 -7.347 1.00 1.76 H new ATOM 0 HA ARG A 615 0.103 -12.544 -9.504 1.00 2.14 H new ATOM 0 HB2 ARG A 615 0.194 -14.718 -10.648 1.00 3.00 H new ATOM 0 HB3 ARG A 615 1.792 -14.014 -10.507 1.00 3.00 H new ATOM 0 HG2 ARG A 615 2.310 -15.528 -8.607 1.00 4.07 H new ATOM 0 HG3 ARG A 615 0.698 -16.209 -8.693 1.00 4.07 H new ATOM 0 HD2 ARG A 615 2.224 -17.730 -9.813 1.00 4.91 H new ATOM 0 HD3 ARG A 615 1.180 -17.013 -11.025 1.00 4.91 H new ATOM 0 HE ARG A 615 4.079 -16.544 -10.655 1.00 5.00 H new ATOM 0 HH11 ARG A 615 1.234 -15.823 -12.664 1.00 5.56 H new ATOM 0 HH12 ARG A 615 2.228 -14.934 -13.824 1.00 5.56 H new ATOM 0 HH21 ARG A 615 5.153 -15.239 -12.111 1.00 6.00 H new ATOM 0 HH22 ARG A 615 4.298 -14.625 -13.530 1.00 6.00 H new ATOM 1313 N GLY A 616 -1.974 -13.819 -8.956 1.00 2.19 N ATOM 1314 CA GLY A 616 -3.339 -14.049 -8.454 1.00 2.24 C ATOM 1315 C GLY A 616 -4.042 -12.778 -7.938 1.00 1.67 C ATOM 1316 O GLY A 616 -3.400 -11.884 -7.391 1.00 1.86 O ATOM 0 H GLY A 616 -1.959 -13.602 -9.953 1.00 2.19 H new ATOM 0 HA2 GLY A 616 -3.940 -14.485 -9.252 1.00 2.24 H new ATOM 0 HA3 GLY A 616 -3.300 -14.782 -7.648 1.00 2.24 H new ATOM 1320 N ARG A 617 -5.369 -12.678 -8.126 1.00 1.52 N ATOM 1321 CA ARG A 617 -6.229 -11.560 -7.657 1.00 1.42 C ATOM 1322 C ARG A 617 -6.987 -11.929 -6.376 1.00 1.58 C ATOM 1323 O ARG A 617 -7.337 -13.099 -6.182 1.00 2.11 O ATOM 1324 CB ARG A 617 -7.121 -11.010 -8.786 1.00 2.27 C ATOM 1325 CG ARG A 617 -8.072 -12.028 -9.425 1.00 1.70 C ATOM 1326 CD ARG A 617 -8.745 -11.436 -10.668 1.00 1.64 C ATOM 1327 NE ARG A 617 -9.610 -12.445 -11.305 1.00 2.06 N ATOM 1328 CZ ARG A 617 -10.333 -12.326 -12.404 1.00 2.78 C ATOM 1329 NH1 ARG A 617 -10.401 -11.249 -13.122 1.00 3.53 N ATOM 1330 NH2 ARG A 617 -11.049 -13.310 -12.849 1.00 3.51 N ATOM 0 H ARG A 617 -5.897 -13.394 -8.625 1.00 1.52 H new ATOM 0 HA ARG A 617 -5.582 -10.728 -7.378 1.00 1.42 H new ATOM 0 HB2 ARG A 617 -7.712 -10.184 -8.390 1.00 2.27 H new ATOM 0 HB3 ARG A 617 -6.480 -10.598 -9.565 1.00 2.27 H new ATOM 0 HG2 ARG A 617 -7.520 -12.927 -9.698 1.00 1.70 H new ATOM 0 HG3 ARG A 617 -8.831 -12.327 -8.702 1.00 1.70 H new ATOM 0 HD2 ARG A 617 -9.335 -10.563 -10.390 1.00 1.64 H new ATOM 0 HD3 ARG A 617 -7.987 -11.097 -11.375 1.00 1.64 H new ATOM 0 HE ARG A 617 -9.656 -13.350 -10.838 1.00 2.06 H new ATOM 0 HH11 ARG A 617 -9.874 -10.420 -12.849 1.00 3.53 H new ATOM 0 HH12 ARG A 617 -10.982 -11.231 -13.960 1.00 3.53 H new ATOM 0 HH21 ARG A 617 -11.062 -14.199 -12.348 1.00 3.51 H new ATOM 0 HH22 ARG A 617 -11.600 -13.196 -13.700 1.00 3.51 H new ATOM 1344 N ARG A 618 -7.149 -10.940 -5.487 1.00 1.55 N ATOM 1345 CA ARG A 618 -7.561 -11.099 -4.076 1.00 1.83 C ATOM 1346 C ARG A 618 -8.670 -10.125 -3.642 1.00 1.88 C ATOM 1347 O ARG A 618 -8.788 -9.032 -4.199 1.00 2.21 O ATOM 1348 CB ARG A 618 -6.348 -10.948 -3.132 1.00 2.21 C ATOM 1349 CG ARG A 618 -5.316 -12.090 -3.135 1.00 2.81 C ATOM 1350 CD ARG A 618 -4.270 -12.036 -4.257 1.00 3.14 C ATOM 1351 NE ARG A 618 -3.145 -12.943 -3.974 1.00 3.79 N ATOM 1352 CZ ARG A 618 -2.054 -12.673 -3.280 1.00 4.30 C ATOM 1353 NH1 ARG A 618 -1.790 -11.504 -2.775 1.00 4.46 N ATOM 1354 NH2 ARG A 618 -1.168 -13.596 -3.058 1.00 5.44 N ATOM 0 H ARG A 618 -6.991 -9.964 -5.737 1.00 1.55 H new ATOM 0 HA ARG A 618 -7.973 -12.105 -4.003 1.00 1.83 H new ATOM 0 HB2 ARG A 618 -5.831 -10.023 -3.389 1.00 2.21 H new ATOM 0 HB3 ARG A 618 -6.722 -10.832 -2.115 1.00 2.21 H new ATOM 0 HG2 ARG A 618 -4.796 -12.088 -2.177 1.00 2.81 H new ATOM 0 HG3 ARG A 618 -5.850 -13.038 -3.206 1.00 2.81 H new ATOM 0 HD2 ARG A 618 -4.733 -12.310 -5.205 1.00 3.14 H new ATOM 0 HD3 ARG A 618 -3.901 -11.016 -4.366 1.00 3.14 H new ATOM 0 HE ARG A 618 -3.216 -13.886 -4.357 1.00 3.79 H new ATOM 0 HH11 ARG A 618 -2.444 -10.732 -2.906 1.00 4.46 H new ATOM 0 HH12 ARG A 618 -0.929 -11.359 -2.248 1.00 4.46 H new ATOM 0 HH21 ARG A 618 -1.312 -14.539 -3.421 1.00 5.44 H new ATOM 0 HH22 ARG A 618 -0.328 -13.378 -2.521 1.00 5.44 H new ATOM 1368 N THR A 619 -9.393 -10.492 -2.581 1.00 1.94 N ATOM 1369 CA THR A 619 -10.435 -9.714 -1.875 1.00 1.98 C ATOM 1370 C THR A 619 -10.003 -9.321 -0.457 1.00 1.63 C ATOM 1371 O THR A 619 -9.053 -9.878 0.101 1.00 1.55 O ATOM 1372 CB THR A 619 -11.762 -10.496 -1.749 1.00 2.49 C ATOM 1373 OG1 THR A 619 -11.532 -11.820 -1.323 1.00 2.56 O ATOM 1374 CG2 THR A 619 -12.574 -10.551 -3.037 1.00 3.38 C ATOM 0 H THR A 619 -9.261 -11.409 -2.154 1.00 1.94 H new ATOM 0 HA THR A 619 -10.581 -8.822 -2.484 1.00 1.98 H new ATOM 0 HB THR A 619 -12.340 -9.941 -1.010 1.00 2.49 H new ATOM 0 HG1 THR A 619 -12.387 -12.293 -1.249 1.00 2.56 H new ATOM 0 HG21 THR A 619 -13.490 -11.117 -2.866 1.00 3.38 H new ATOM 0 HG22 THR A 619 -12.827 -9.538 -3.351 1.00 3.38 H new ATOM 0 HG23 THR A 619 -11.987 -11.037 -3.816 1.00 3.38 H new ATOM 1382 N ALA A 620 -10.742 -8.379 0.136 1.00 1.66 N ATOM 1383 CA ALA A 620 -10.861 -8.178 1.579 1.00 1.58 C ATOM 1384 C ALA A 620 -12.194 -7.462 1.895 1.00 1.61 C ATOM 1385 O ALA A 620 -12.575 -6.525 1.187 1.00 1.94 O ATOM 1386 CB ALA A 620 -9.661 -7.377 2.106 1.00 2.00 C ATOM 0 H ALA A 620 -11.295 -7.710 -0.400 1.00 1.66 H new ATOM 0 HA ALA A 620 -10.861 -9.145 2.081 1.00 1.58 H new ATOM 0 HB1 ALA A 620 -9.763 -7.235 3.182 1.00 2.00 H new ATOM 0 HB2 ALA A 620 -8.740 -7.922 1.897 1.00 2.00 H new ATOM 0 HB3 ALA A 620 -9.627 -6.405 1.613 1.00 2.00 H new ATOM 1392 N SER A 621 -12.920 -7.879 2.934 1.00 1.65 N ATOM 1393 CA SER A 621 -14.155 -7.209 3.383 1.00 1.75 C ATOM 1394 C SER A 621 -13.819 -6.102 4.388 1.00 1.54 C ATOM 1395 O SER A 621 -13.593 -6.363 5.568 1.00 1.54 O ATOM 1396 CB SER A 621 -15.157 -8.207 3.979 1.00 1.97 C ATOM 1397 OG SER A 621 -15.787 -8.982 2.967 1.00 2.34 O ATOM 0 H SER A 621 -12.672 -8.694 3.494 1.00 1.65 H new ATOM 0 HA SER A 621 -14.630 -6.759 2.512 1.00 1.75 H new ATOM 0 HB2 SER A 621 -14.642 -8.868 4.677 1.00 1.97 H new ATOM 0 HB3 SER A 621 -15.913 -7.668 4.549 1.00 1.97 H new ATOM 0 HG SER A 621 -16.418 -9.609 3.380 1.00 2.34 H new ATOM 1403 N VAL A 622 -13.723 -4.854 3.922 1.00 1.38 N ATOM 1404 CA VAL A 622 -13.353 -3.704 4.765 1.00 1.17 C ATOM 1405 C VAL A 622 -13.962 -2.386 4.253 1.00 1.04 C ATOM 1406 O VAL A 622 -14.046 -2.145 3.044 1.00 1.11 O ATOM 1407 CB VAL A 622 -11.815 -3.641 4.927 1.00 1.12 C ATOM 1408 CG1 VAL A 622 -11.076 -3.735 3.615 1.00 1.24 C ATOM 1409 CG2 VAL A 622 -11.328 -2.363 5.593 1.00 0.90 C ATOM 0 H VAL A 622 -13.899 -4.608 2.948 1.00 1.38 H new ATOM 0 HA VAL A 622 -13.783 -3.848 5.756 1.00 1.17 H new ATOM 0 HB VAL A 622 -11.600 -4.505 5.556 1.00 1.12 H new ATOM 0 HG11 VAL A 622 -10.003 -3.685 3.798 1.00 1.24 H new ATOM 0 HG12 VAL A 622 -11.317 -4.680 3.128 1.00 1.24 H new ATOM 0 HG13 VAL A 622 -11.373 -2.908 2.970 1.00 1.24 H new ATOM 0 HG21 VAL A 622 -10.241 -2.386 5.674 1.00 0.90 H new ATOM 0 HG22 VAL A 622 -11.629 -1.503 4.994 1.00 0.90 H new ATOM 0 HG23 VAL A 622 -11.765 -2.282 6.588 1.00 0.90 H new ATOM 1419 N ARG A 623 -14.350 -1.505 5.185 1.00 0.89 N ATOM 1420 CA ARG A 623 -14.891 -0.157 4.931 1.00 0.74 C ATOM 1421 C ARG A 623 -14.167 0.908 5.752 1.00 0.64 C ATOM 1422 O ARG A 623 -13.581 0.607 6.790 1.00 0.63 O ATOM 1423 CB ARG A 623 -16.415 -0.147 5.176 1.00 0.84 C ATOM 1424 CG ARG A 623 -16.811 -0.211 6.661 1.00 0.96 C ATOM 1425 CD ARG A 623 -18.148 -0.928 6.877 1.00 1.26 C ATOM 1426 NE ARG A 623 -19.334 -0.147 6.470 1.00 2.03 N ATOM 1427 CZ ARG A 623 -20.577 -0.476 6.779 1.00 2.68 C ATOM 1428 NH1 ARG A 623 -20.900 -1.628 7.291 1.00 2.66 N ATOM 1429 NH2 ARG A 623 -21.563 0.349 6.619 1.00 3.75 N ATOM 0 H ARG A 623 -14.294 -1.719 6.181 1.00 0.89 H new ATOM 0 HA ARG A 623 -14.715 0.096 3.886 1.00 0.74 H new ATOM 0 HB2 ARG A 623 -16.837 0.757 4.737 1.00 0.84 H new ATOM 0 HB3 ARG A 623 -16.862 -0.994 4.655 1.00 0.84 H new ATOM 0 HG2 ARG A 623 -16.031 -0.726 7.221 1.00 0.96 H new ATOM 0 HG3 ARG A 623 -16.875 0.801 7.061 1.00 0.96 H new ATOM 0 HD2 ARG A 623 -18.137 -1.865 6.321 1.00 1.26 H new ATOM 0 HD3 ARG A 623 -18.242 -1.185 7.932 1.00 1.26 H new ATOM 0 HE ARG A 623 -19.185 0.697 5.917 1.00 2.03 H new ATOM 0 HH11 ARG A 623 -20.179 -2.326 7.472 1.00 2.66 H new ATOM 0 HH12 ARG A 623 -21.875 -1.833 7.512 1.00 2.66 H new ATOM 0 HH21 ARG A 623 -21.391 1.282 6.245 1.00 3.75 H new ATOM 0 HH22 ARG A 623 -22.511 0.065 6.867 1.00 3.75 H new ATOM 1443 N ALA A 624 -14.220 2.159 5.317 1.00 0.67 N ATOM 1444 CA ALA A 624 -13.733 3.281 6.113 1.00 0.68 C ATOM 1445 C ALA A 624 -14.650 3.502 7.330 1.00 0.67 C ATOM 1446 O ALA A 624 -15.867 3.582 7.175 1.00 0.76 O ATOM 1447 CB ALA A 624 -13.614 4.504 5.199 1.00 0.82 C ATOM 0 H ALA A 624 -14.599 2.426 4.408 1.00 0.67 H new ATOM 0 HA ALA A 624 -12.743 3.080 6.522 1.00 0.68 H new ATOM 0 HB1 ALA A 624 -13.251 5.355 5.775 1.00 0.82 H new ATOM 0 HB2 ALA A 624 -12.915 4.288 4.391 1.00 0.82 H new ATOM 0 HB3 ALA A 624 -14.592 4.741 4.779 1.00 0.82 H new ATOM 1453 N ASP A 625 -14.098 3.614 8.544 1.00 0.65 N ATOM 1454 CA ASP A 625 -14.906 3.891 9.751 1.00 0.71 C ATOM 1455 C ASP A 625 -15.380 5.352 9.789 1.00 0.78 C ATOM 1456 O ASP A 625 -16.351 5.708 10.458 1.00 0.90 O ATOM 1457 CB ASP A 625 -14.060 3.631 11.009 1.00 0.76 C ATOM 1458 CG ASP A 625 -14.929 3.369 12.247 1.00 1.16 C ATOM 1459 OD1 ASP A 625 -15.833 2.496 12.189 1.00 1.84 O ATOM 1460 OD2 ASP A 625 -14.699 4.029 13.292 1.00 2.23 O ATOM 0 H ASP A 625 -13.098 3.518 8.723 1.00 0.65 H new ATOM 0 HA ASP A 625 -15.776 3.235 9.722 1.00 0.71 H new ATOM 0 HB2 ASP A 625 -13.409 2.774 10.836 1.00 0.76 H new ATOM 0 HB3 ASP A 625 -13.415 4.490 11.195 1.00 0.76 H new ATOM 1465 N THR A 626 -14.617 6.190 9.095 1.00 0.74 N ATOM 1466 CA THR A 626 -14.486 7.645 9.212 1.00 0.75 C ATOM 1467 C THR A 626 -13.880 8.186 7.902 1.00 0.74 C ATOM 1468 O THR A 626 -13.577 7.402 7.003 1.00 0.72 O ATOM 1469 CB THR A 626 -13.613 7.950 10.445 1.00 0.80 C ATOM 1470 OG1 THR A 626 -13.468 9.336 10.631 1.00 0.86 O ATOM 1471 CG2 THR A 626 -12.220 7.313 10.394 1.00 0.79 C ATOM 0 H THR A 626 -14.010 5.832 8.358 1.00 0.74 H new ATOM 0 HA THR A 626 -15.449 8.136 9.355 1.00 0.75 H new ATOM 0 HB THR A 626 -14.147 7.504 11.284 1.00 0.80 H new ATOM 0 HG1 THR A 626 -12.912 9.504 11.420 1.00 0.86 H new ATOM 0 HG21 THR A 626 -11.667 7.574 11.297 1.00 0.79 H new ATOM 0 HG22 THR A 626 -12.318 6.229 10.329 1.00 0.79 H new ATOM 0 HG23 THR A 626 -11.683 7.682 9.520 1.00 0.79 H new ATOM 1479 N TYR A 627 -13.698 9.499 7.745 1.00 0.83 N ATOM 1480 CA TYR A 627 -13.110 10.099 6.540 1.00 0.84 C ATOM 1481 C TYR A 627 -11.589 9.821 6.532 1.00 0.83 C ATOM 1482 O TYR A 627 -10.808 10.466 7.237 1.00 0.99 O ATOM 1483 CB TYR A 627 -13.534 11.578 6.515 1.00 0.93 C ATOM 1484 CG TYR A 627 -13.049 12.471 5.386 1.00 1.30 C ATOM 1485 CD1 TYR A 627 -11.782 13.085 5.457 1.00 2.06 C ATOM 1486 CD2 TYR A 627 -13.919 12.796 4.327 1.00 2.69 C ATOM 1487 CE1 TYR A 627 -11.373 13.995 4.458 1.00 2.24 C ATOM 1488 CE2 TYR A 627 -13.515 13.699 3.323 1.00 3.23 C ATOM 1489 CZ TYR A 627 -12.237 14.294 3.382 1.00 2.37 C ATOM 1490 OH TYR A 627 -11.826 15.118 2.379 1.00 2.96 O ATOM 0 H TYR A 627 -13.956 10.184 8.456 1.00 0.83 H new ATOM 0 HA TYR A 627 -13.469 9.664 5.608 1.00 0.84 H new ATOM 0 HB2 TYR A 627 -14.624 11.606 6.510 1.00 0.93 H new ATOM 0 HB3 TYR A 627 -13.207 12.028 7.452 1.00 0.93 H new ATOM 0 HD1 TYR A 627 -11.121 12.858 6.280 1.00 2.06 H new ATOM 0 HD2 TYR A 627 -14.902 12.350 4.284 1.00 2.69 H new ATOM 0 HE1 TYR A 627 -10.401 14.462 4.517 1.00 2.24 H new ATOM 0 HE2 TYR A 627 -14.184 13.935 2.509 1.00 3.23 H new ATOM 0 HH TYR A 627 -12.545 15.215 1.720 1.00 2.96 H new ATOM 1500 N CYS A 628 -11.174 8.792 5.788 1.00 0.78 N ATOM 1501 CA CYS A 628 -9.850 8.169 5.875 1.00 0.75 C ATOM 1502 C CYS A 628 -8.975 8.537 4.672 1.00 0.83 C ATOM 1503 O CYS A 628 -9.337 8.261 3.522 1.00 1.00 O ATOM 1504 CB CYS A 628 -10.018 6.648 6.022 1.00 0.71 C ATOM 1505 SG CYS A 628 -8.463 5.894 6.559 1.00 2.54 S ATOM 0 H CYS A 628 -11.770 8.355 5.085 1.00 0.78 H new ATOM 0 HA CYS A 628 -9.331 8.550 6.755 1.00 0.75 H new ATOM 0 HB2 CYS A 628 -10.804 6.430 6.745 1.00 0.71 H new ATOM 0 HB3 CYS A 628 -10.330 6.216 5.071 1.00 0.71 H new ATOM 0 HG CYS A 628 -8.478 4.624 6.281 1.00 2.54 H new ATOM 1511 N ARG A 629 -7.815 9.151 4.944 1.00 0.77 N ATOM 1512 CA ARG A 629 -6.877 9.653 3.936 1.00 0.72 C ATOM 1513 C ARG A 629 -5.829 8.603 3.588 1.00 0.73 C ATOM 1514 O ARG A 629 -5.023 8.163 4.419 1.00 0.81 O ATOM 1515 CB ARG A 629 -6.284 10.989 4.401 1.00 0.76 C ATOM 1516 CG ARG A 629 -5.266 11.539 3.407 1.00 2.20 C ATOM 1517 CD ARG A 629 -4.964 13.013 3.687 1.00 2.19 C ATOM 1518 NE ARG A 629 -4.385 13.255 5.024 1.00 2.65 N ATOM 1519 CZ ARG A 629 -3.107 13.289 5.360 1.00 4.17 C ATOM 1520 NH1 ARG A 629 -2.147 13.079 4.509 1.00 5.62 N ATOM 1521 NH2 ARG A 629 -2.749 13.539 6.580 1.00 4.74 N ATOM 0 H ARG A 629 -7.496 9.316 5.899 1.00 0.77 H new ATOM 0 HA ARG A 629 -7.408 9.849 3.004 1.00 0.72 H new ATOM 0 HB2 ARG A 629 -7.086 11.714 4.537 1.00 0.76 H new ATOM 0 HB3 ARG A 629 -5.807 10.856 5.372 1.00 0.76 H new ATOM 0 HG2 ARG A 629 -4.345 10.958 3.466 1.00 2.20 H new ATOM 0 HG3 ARG A 629 -5.648 11.429 2.392 1.00 2.20 H new ATOM 0 HD2 ARG A 629 -4.274 13.384 2.929 1.00 2.19 H new ATOM 0 HD3 ARG A 629 -5.884 13.589 3.589 1.00 2.19 H new ATOM 0 HE ARG A 629 -5.052 13.415 5.779 1.00 2.65 H new ATOM 0 HH11 ARG A 629 -2.365 12.877 3.533 1.00 5.62 H new ATOM 0 HH12 ARG A 629 -1.175 13.116 4.817 1.00 5.62 H new ATOM 0 HH21 ARG A 629 -3.457 13.712 7.294 1.00 4.74 H new ATOM 0 HH22 ARG A 629 -1.760 13.562 6.827 1.00 4.74 H new ATOM 1535 N LEU A 630 -5.843 8.236 2.315 1.00 0.72 N ATOM 1536 CA LEU A 630 -5.040 7.180 1.722 1.00 0.76 C ATOM 1537 C LEU A 630 -4.092 7.772 0.666 1.00 0.77 C ATOM 1538 O LEU A 630 -4.236 8.905 0.202 1.00 0.84 O ATOM 1539 CB LEU A 630 -5.943 6.080 1.110 1.00 0.79 C ATOM 1540 CG LEU A 630 -7.035 5.455 2.008 1.00 0.83 C ATOM 1541 CD1 LEU A 630 -7.634 4.221 1.326 1.00 0.93 C ATOM 1542 CD2 LEU A 630 -6.513 4.967 3.356 1.00 0.94 C ATOM 0 H LEU A 630 -6.448 8.692 1.632 1.00 0.72 H new ATOM 0 HA LEU A 630 -4.439 6.714 2.503 1.00 0.76 H new ATOM 0 HB2 LEU A 630 -6.433 6.501 0.232 1.00 0.79 H new ATOM 0 HB3 LEU A 630 -5.297 5.275 0.760 1.00 0.79 H new ATOM 0 HG LEU A 630 -7.762 6.252 2.166 1.00 0.83 H new ATOM 0 HD11 LEU A 630 -8.402 3.788 1.967 1.00 0.93 H new ATOM 0 HD12 LEU A 630 -8.077 4.511 0.373 1.00 0.93 H new ATOM 0 HD13 LEU A 630 -6.849 3.485 1.152 1.00 0.93 H new ATOM 0 HD21 LEU A 630 -7.335 4.541 3.932 1.00 0.94 H new ATOM 0 HD22 LEU A 630 -5.749 4.206 3.196 1.00 0.94 H new ATOM 0 HD23 LEU A 630 -6.082 5.805 3.904 1.00 0.94 H new ATOM 1554 N TYR A 631 -3.112 6.974 0.270 1.00 0.79 N ATOM 1555 CA TYR A 631 -2.217 7.275 -0.847 1.00 0.82 C ATOM 1556 C TYR A 631 -2.662 6.523 -2.119 1.00 1.19 C ATOM 1557 O TYR A 631 -3.515 5.635 -2.048 1.00 1.70 O ATOM 1558 CB TYR A 631 -0.772 7.033 -0.360 1.00 1.06 C ATOM 1559 CG TYR A 631 0.072 5.896 -0.931 1.00 2.56 C ATOM 1560 CD1 TYR A 631 -0.481 4.633 -1.232 1.00 4.07 C ATOM 1561 CD2 TYR A 631 1.470 6.059 -0.998 1.00 3.44 C ATOM 1562 CE1 TYR A 631 0.340 3.557 -1.610 1.00 5.70 C ATOM 1563 CE2 TYR A 631 2.303 4.973 -1.336 1.00 4.94 C ATOM 1564 CZ TYR A 631 1.737 3.716 -1.639 1.00 5.92 C ATOM 1565 OH TYR A 631 2.525 2.654 -1.943 1.00 7.57 O ATOM 0 H TYR A 631 -2.909 6.082 0.721 1.00 0.79 H new ATOM 0 HA TYR A 631 -2.261 8.318 -1.160 1.00 0.82 H new ATOM 0 HB2 TYR A 631 -0.219 7.957 -0.530 1.00 1.06 H new ATOM 0 HB3 TYR A 631 -0.820 6.884 0.719 1.00 1.06 H new ATOM 0 HD1 TYR A 631 -1.550 4.491 -1.171 1.00 4.07 H new ATOM 0 HD2 TYR A 631 1.907 7.024 -0.789 1.00 3.44 H new ATOM 0 HE1 TYR A 631 -0.102 2.609 -1.878 1.00 5.70 H new ATOM 0 HE2 TYR A 631 3.375 5.103 -1.363 1.00 4.94 H new ATOM 0 HH TYR A 631 3.466 2.928 -1.922 1.00 7.57 H new ATOM 1575 N SER A 632 -2.082 6.824 -3.280 1.00 1.17 N ATOM 1576 CA SER A 632 -2.177 5.968 -4.474 1.00 1.49 C ATOM 1577 C SER A 632 -0.867 5.944 -5.269 1.00 1.36 C ATOM 1578 O SER A 632 -0.328 6.997 -5.624 1.00 1.36 O ATOM 1579 CB SER A 632 -3.348 6.381 -5.370 1.00 1.93 C ATOM 1580 OG SER A 632 -4.578 6.252 -4.679 1.00 2.07 O ATOM 0 H SER A 632 -1.530 7.669 -3.425 1.00 1.17 H new ATOM 0 HA SER A 632 -2.364 4.955 -4.119 1.00 1.49 H new ATOM 0 HB2 SER A 632 -3.216 7.412 -5.697 1.00 1.93 H new ATOM 0 HB3 SER A 632 -3.362 5.761 -6.267 1.00 1.93 H new ATOM 0 HG SER A 632 -4.413 5.896 -3.781 1.00 2.07 H new ATOM 1586 N LEU A 633 -0.367 4.739 -5.563 1.00 1.41 N ATOM 1587 CA LEU A 633 0.906 4.484 -6.256 1.00 1.33 C ATOM 1588 C LEU A 633 0.725 3.360 -7.296 1.00 1.44 C ATOM 1589 O LEU A 633 0.115 2.328 -7.000 1.00 1.66 O ATOM 1590 CB LEU A 633 1.980 4.157 -5.194 1.00 1.23 C ATOM 1591 CG LEU A 633 3.452 4.468 -5.547 1.00 1.21 C ATOM 1592 CD1 LEU A 633 4.333 4.129 -4.346 1.00 1.26 C ATOM 1593 CD2 LEU A 633 4.025 3.670 -6.712 1.00 1.48 C ATOM 0 H LEU A 633 -0.856 3.878 -5.316 1.00 1.41 H new ATOM 0 HA LEU A 633 1.235 5.363 -6.810 1.00 1.33 H new ATOM 0 HB2 LEU A 633 1.730 4.703 -4.284 1.00 1.23 H new ATOM 0 HB3 LEU A 633 1.908 3.095 -4.959 1.00 1.23 H new ATOM 0 HG LEU A 633 3.452 5.522 -5.825 1.00 1.21 H new ATOM 0 HD11 LEU A 633 5.374 4.345 -4.586 1.00 1.26 H new ATOM 0 HD12 LEU A 633 4.026 4.728 -3.489 1.00 1.26 H new ATOM 0 HD13 LEU A 633 4.228 3.071 -4.105 1.00 1.26 H new ATOM 0 HD21 LEU A 633 5.062 3.963 -6.878 1.00 1.48 H new ATOM 0 HD22 LEU A 633 3.981 2.606 -6.481 1.00 1.48 H new ATOM 0 HD23 LEU A 633 3.443 3.870 -7.611 1.00 1.48 H new ATOM 1605 N SER A 634 1.254 3.545 -8.508 1.00 1.39 N ATOM 1606 CA SER A 634 1.261 2.504 -9.546 1.00 1.41 C ATOM 1607 C SER A 634 2.436 1.533 -9.386 1.00 1.25 C ATOM 1608 O SER A 634 3.583 1.938 -9.169 1.00 1.09 O ATOM 1609 CB SER A 634 1.212 3.126 -10.951 1.00 1.49 C ATOM 1610 OG SER A 634 2.449 3.685 -11.331 1.00 2.43 O ATOM 0 H SER A 634 1.690 4.420 -8.800 1.00 1.39 H new ATOM 0 HA SER A 634 0.356 1.910 -9.418 1.00 1.41 H new ATOM 0 HB2 SER A 634 0.923 2.363 -11.674 1.00 1.49 H new ATOM 0 HB3 SER A 634 0.443 3.898 -10.978 1.00 1.49 H new ATOM 0 HG SER A 634 2.421 4.657 -11.205 1.00 2.43 H new ATOM 1616 N VAL A 635 2.191 0.228 -9.555 1.00 1.35 N ATOM 1617 CA VAL A 635 3.298 -0.753 -9.571 1.00 1.37 C ATOM 1618 C VAL A 635 4.245 -0.514 -10.747 1.00 1.33 C ATOM 1619 O VAL A 635 5.419 -0.868 -10.676 1.00 1.35 O ATOM 1620 CB VAL A 635 2.858 -2.228 -9.506 1.00 1.50 C ATOM 1621 CG1 VAL A 635 1.668 -2.454 -8.580 1.00 1.56 C ATOM 1622 CG2 VAL A 635 2.622 -2.943 -10.827 1.00 2.41 C ATOM 0 H VAL A 635 1.261 -0.173 -9.680 1.00 1.35 H new ATOM 0 HA VAL A 635 3.837 -0.574 -8.640 1.00 1.37 H new ATOM 0 HB VAL A 635 3.751 -2.694 -9.089 1.00 1.50 H new ATOM 0 HG11 VAL A 635 1.405 -3.512 -8.577 1.00 1.56 H new ATOM 0 HG12 VAL A 635 1.929 -2.142 -7.569 1.00 1.56 H new ATOM 0 HG13 VAL A 635 0.817 -1.870 -8.932 1.00 1.56 H new ATOM 0 HG21 VAL A 635 2.318 -3.972 -10.635 1.00 2.41 H new ATOM 0 HG22 VAL A 635 1.837 -2.430 -11.383 1.00 2.41 H new ATOM 0 HG23 VAL A 635 3.542 -2.940 -11.412 1.00 2.41 H new ATOM 1632 N ASP A 636 3.754 0.134 -11.805 1.00 1.36 N ATOM 1633 CA ASP A 636 4.552 0.557 -12.954 1.00 1.49 C ATOM 1634 C ASP A 636 5.610 1.611 -12.593 1.00 1.34 C ATOM 1635 O ASP A 636 6.711 1.559 -13.145 1.00 1.45 O ATOM 1636 CB ASP A 636 3.628 1.098 -14.046 1.00 1.68 C ATOM 1637 CG ASP A 636 2.754 -0.005 -14.634 1.00 1.98 C ATOM 1638 OD1 ASP A 636 3.273 -0.873 -15.375 1.00 2.87 O ATOM 1639 OD2 ASP A 636 1.543 -0.043 -14.323 1.00 2.77 O ATOM 0 H ASP A 636 2.769 0.384 -11.887 1.00 1.36 H new ATOM 0 HA ASP A 636 5.091 -0.320 -13.313 1.00 1.49 H new ATOM 0 HB2 ASP A 636 2.996 1.884 -13.633 1.00 1.68 H new ATOM 0 HB3 ASP A 636 4.225 1.552 -14.837 1.00 1.68 H new ATOM 1644 N ASN A 637 5.322 2.532 -11.661 1.00 1.18 N ATOM 1645 CA ASN A 637 6.313 3.469 -11.121 1.00 1.02 C ATOM 1646 C ASN A 637 7.159 2.836 -9.994 1.00 0.87 C ATOM 1647 O ASN A 637 8.339 3.164 -9.903 1.00 0.92 O ATOM 1648 CB ASN A 637 5.641 4.771 -10.648 1.00 1.14 C ATOM 1649 CG ASN A 637 5.044 5.653 -11.738 1.00 1.54 C ATOM 1650 OD1 ASN A 637 3.938 6.162 -11.602 1.00 2.37 O ATOM 1651 ND2 ASN A 637 5.763 5.953 -12.794 1.00 1.61 N ATOM 0 H ASN A 637 4.391 2.646 -11.261 1.00 1.18 H new ATOM 0 HA ASN A 637 6.998 3.715 -11.932 1.00 1.02 H new ATOM 0 HB2 ASN A 637 4.850 4.512 -9.944 1.00 1.14 H new ATOM 0 HB3 ASN A 637 6.378 5.357 -10.098 1.00 1.14 H new ATOM 0 HD21 ASN A 637 5.399 6.604 -13.490 1.00 1.61 H new ATOM 0 HD22 ASN A 637 6.685 5.536 -12.918 1.00 1.61 H new ATOM 1658 N PHE A 638 6.621 1.925 -9.165 1.00 0.90 N ATOM 1659 CA PHE A 638 7.384 1.145 -8.168 1.00 0.91 C ATOM 1660 C PHE A 638 8.506 0.331 -8.826 1.00 0.91 C ATOM 1661 O PHE A 638 9.668 0.469 -8.459 1.00 0.92 O ATOM 1662 CB PHE A 638 6.477 0.208 -7.371 1.00 1.07 C ATOM 1663 CG PHE A 638 7.218 -0.496 -6.241 1.00 1.14 C ATOM 1664 CD1 PHE A 638 7.966 -1.666 -6.490 1.00 2.07 C ATOM 1665 CD2 PHE A 638 7.127 -0.003 -4.926 1.00 1.90 C ATOM 1666 CE1 PHE A 638 8.594 -2.349 -5.432 1.00 2.28 C ATOM 1667 CE2 PHE A 638 7.752 -0.688 -3.867 1.00 1.92 C ATOM 1668 CZ PHE A 638 8.479 -1.865 -4.117 1.00 1.51 C ATOM 0 H PHE A 638 5.625 1.704 -9.167 1.00 0.90 H new ATOM 0 HA PHE A 638 7.829 1.868 -7.484 1.00 0.91 H new ATOM 0 HB2 PHE A 638 5.645 0.778 -6.957 1.00 1.07 H new ATOM 0 HB3 PHE A 638 6.050 -0.538 -8.042 1.00 1.07 H new ATOM 0 HD1 PHE A 638 8.057 -2.040 -7.499 1.00 2.07 H new ATOM 0 HD2 PHE A 638 6.576 0.904 -4.729 1.00 1.90 H new ATOM 0 HE1 PHE A 638 9.164 -3.245 -5.630 1.00 2.28 H new ATOM 0 HE2 PHE A 638 7.673 -0.308 -2.859 1.00 1.92 H new ATOM 0 HZ PHE A 638 8.948 -2.396 -3.301 1.00 1.51 H new ATOM 1678 N ASN A 639 8.181 -0.497 -9.821 1.00 0.94 N ATOM 1679 CA ASN A 639 9.156 -1.364 -10.489 1.00 0.96 C ATOM 1680 C ASN A 639 10.193 -0.555 -11.309 1.00 0.94 C ATOM 1681 O ASN A 639 11.326 -1.003 -11.489 1.00 1.10 O ATOM 1682 CB ASN A 639 8.378 -2.406 -11.313 1.00 1.00 C ATOM 1683 CG ASN A 639 7.765 -3.509 -10.467 1.00 1.30 C ATOM 1684 OD1 ASN A 639 8.458 -4.404 -10.010 1.00 1.79 O ATOM 1685 ND2 ASN A 639 6.476 -3.499 -10.220 1.00 1.35 N ATOM 0 H ASN A 639 7.233 -0.586 -10.187 1.00 0.94 H new ATOM 0 HA ASN A 639 9.762 -1.892 -9.753 1.00 0.96 H new ATOM 0 HB2 ASN A 639 7.587 -1.902 -11.868 1.00 1.00 H new ATOM 0 HB3 ASN A 639 9.049 -2.852 -12.047 1.00 1.00 H new ATOM 0 HD21 ASN A 639 6.060 -4.236 -9.650 1.00 1.35 H new ATOM 0 HD22 ASN A 639 5.890 -2.755 -10.598 1.00 1.35 H new ATOM 1692 N GLU A 640 9.835 0.668 -11.719 1.00 0.86 N ATOM 1693 CA GLU A 640 10.660 1.667 -12.416 1.00 0.90 C ATOM 1694 C GLU A 640 11.649 2.403 -11.495 1.00 0.91 C ATOM 1695 O GLU A 640 12.717 2.831 -11.940 1.00 1.11 O ATOM 1696 CB GLU A 640 9.657 2.634 -13.061 1.00 0.94 C ATOM 1697 CG GLU A 640 10.145 4.042 -13.394 1.00 1.96 C ATOM 1698 CD GLU A 640 9.121 4.816 -14.231 1.00 2.70 C ATOM 1699 OE1 GLU A 640 8.975 4.526 -15.446 1.00 3.06 O ATOM 1700 OE2 GLU A 640 8.456 5.730 -13.689 1.00 4.04 O ATOM 0 H GLU A 640 8.888 1.013 -11.561 1.00 0.86 H new ATOM 0 HA GLU A 640 11.304 1.184 -13.151 1.00 0.90 H new ATOM 0 HB2 GLU A 640 9.295 2.177 -13.982 1.00 0.94 H new ATOM 0 HB3 GLU A 640 8.801 2.725 -12.393 1.00 0.94 H new ATOM 0 HG2 GLU A 640 10.345 4.585 -12.470 1.00 1.96 H new ATOM 0 HG3 GLU A 640 11.088 3.981 -13.938 1.00 1.96 H new ATOM 1707 N VAL A 641 11.309 2.547 -10.213 1.00 0.81 N ATOM 1708 CA VAL A 641 12.239 3.037 -9.173 1.00 0.85 C ATOM 1709 C VAL A 641 13.062 1.916 -8.534 1.00 0.99 C ATOM 1710 O VAL A 641 14.239 2.108 -8.251 1.00 1.07 O ATOM 1711 CB VAL A 641 11.541 3.949 -8.148 1.00 0.76 C ATOM 1712 CG1 VAL A 641 10.444 3.291 -7.312 1.00 0.84 C ATOM 1713 CG2 VAL A 641 12.544 4.549 -7.158 1.00 0.71 C ATOM 0 H VAL A 641 10.379 2.328 -9.857 1.00 0.81 H new ATOM 0 HA VAL A 641 12.968 3.668 -9.682 1.00 0.85 H new ATOM 0 HB VAL A 641 11.074 4.705 -8.779 1.00 0.76 H new ATOM 0 HG11 VAL A 641 10.021 4.024 -6.625 1.00 0.84 H new ATOM 0 HG12 VAL A 641 9.660 2.917 -7.970 1.00 0.84 H new ATOM 0 HG13 VAL A 641 10.867 2.462 -6.744 1.00 0.84 H new ATOM 0 HG21 VAL A 641 12.017 5.187 -6.449 1.00 0.71 H new ATOM 0 HG22 VAL A 641 13.048 3.747 -6.619 1.00 0.71 H new ATOM 0 HG23 VAL A 641 13.281 5.141 -7.701 1.00 0.71 H new ATOM 1723 N LEU A 642 12.494 0.722 -8.370 1.00 1.11 N ATOM 1724 CA LEU A 642 13.168 -0.451 -7.796 1.00 1.42 C ATOM 1725 C LEU A 642 14.426 -0.845 -8.588 1.00 1.59 C ATOM 1726 O LEU A 642 15.483 -1.089 -8.008 1.00 1.68 O ATOM 1727 CB LEU A 642 12.108 -1.569 -7.695 1.00 1.70 C ATOM 1728 CG LEU A 642 12.483 -2.890 -6.998 1.00 1.35 C ATOM 1729 CD1 LEU A 642 13.241 -3.849 -7.912 1.00 1.71 C ATOM 1730 CD2 LEU A 642 13.278 -2.681 -5.710 1.00 2.09 C ATOM 0 H LEU A 642 11.528 0.535 -8.638 1.00 1.11 H new ATOM 0 HA LEU A 642 13.556 -0.235 -6.800 1.00 1.42 H new ATOM 0 HB2 LEU A 642 11.243 -1.157 -7.176 1.00 1.70 H new ATOM 0 HB3 LEU A 642 11.787 -1.811 -8.708 1.00 1.70 H new ATOM 0 HG LEU A 642 11.526 -3.343 -6.740 1.00 1.35 H new ATOM 0 HD11 LEU A 642 13.478 -4.762 -7.365 1.00 1.71 H new ATOM 0 HD12 LEU A 642 12.623 -4.093 -8.776 1.00 1.71 H new ATOM 0 HD13 LEU A 642 14.164 -3.378 -8.248 1.00 1.71 H new ATOM 0 HD21 LEU A 642 13.512 -3.648 -5.266 1.00 2.09 H new ATOM 0 HD22 LEU A 642 14.204 -2.152 -5.936 1.00 2.09 H new ATOM 0 HD23 LEU A 642 12.686 -2.093 -5.008 1.00 2.09 H new ATOM 1742 N GLU A 643 14.356 -0.820 -9.919 1.00 1.69 N ATOM 1743 CA GLU A 643 15.450 -1.132 -10.815 1.00 1.94 C ATOM 1744 C GLU A 643 16.613 -0.114 -10.828 1.00 1.78 C ATOM 1745 O GLU A 643 17.651 -0.397 -11.429 1.00 1.90 O ATOM 1746 CB GLU A 643 14.789 -1.320 -12.180 1.00 2.28 C ATOM 1747 CG GLU A 643 14.303 -0.043 -12.865 1.00 1.88 C ATOM 1748 CD GLU A 643 15.024 0.215 -14.187 1.00 2.58 C ATOM 1749 OE1 GLU A 643 14.859 -0.590 -15.135 1.00 2.85 O ATOM 1750 OE2 GLU A 643 15.745 1.235 -14.299 1.00 3.80 O ATOM 0 H GLU A 643 13.499 -0.571 -10.413 1.00 1.69 H new ATOM 0 HA GLU A 643 15.970 -2.029 -10.477 1.00 1.94 H new ATOM 0 HB2 GLU A 643 15.499 -1.817 -12.841 1.00 2.28 H new ATOM 0 HB3 GLU A 643 13.939 -1.992 -12.062 1.00 2.28 H new ATOM 0 HG2 GLU A 643 13.231 -0.116 -13.047 1.00 1.88 H new ATOM 0 HG3 GLU A 643 14.456 0.806 -12.198 1.00 1.88 H new ATOM 1757 N GLU A 644 16.483 1.051 -10.177 1.00 1.55 N ATOM 1758 CA GLU A 644 17.577 2.025 -9.994 1.00 1.51 C ATOM 1759 C GLU A 644 18.556 1.626 -8.875 1.00 1.45 C ATOM 1760 O GLU A 644 19.662 2.164 -8.802 1.00 1.50 O ATOM 1761 CB GLU A 644 16.997 3.397 -9.645 1.00 1.35 C ATOM 1762 CG GLU A 644 16.134 4.044 -10.735 1.00 1.40 C ATOM 1763 CD GLU A 644 16.690 5.327 -11.388 1.00 1.51 C ATOM 1764 OE1 GLU A 644 17.924 5.500 -11.539 1.00 1.96 O ATOM 1765 OE2 GLU A 644 15.866 6.212 -11.740 1.00 2.35 O ATOM 0 H GLU A 644 15.604 1.350 -9.756 1.00 1.55 H new ATOM 0 HA GLU A 644 18.126 2.050 -10.936 1.00 1.51 H new ATOM 0 HB2 GLU A 644 16.397 3.299 -8.741 1.00 1.35 H new ATOM 0 HB3 GLU A 644 17.820 4.071 -9.410 1.00 1.35 H new ATOM 0 HG2 GLU A 644 15.968 3.307 -11.520 1.00 1.40 H new ATOM 0 HG3 GLU A 644 15.160 4.276 -10.305 1.00 1.40 H new ATOM 1772 N TYR A 645 18.142 0.710 -7.998 1.00 1.38 N ATOM 1773 CA TYR A 645 18.802 0.345 -6.738 1.00 1.31 C ATOM 1774 C TYR A 645 18.980 -1.182 -6.652 1.00 1.45 C ATOM 1775 O TYR A 645 18.216 -1.861 -5.961 1.00 1.44 O ATOM 1776 CB TYR A 645 17.996 0.911 -5.554 1.00 1.17 C ATOM 1777 CG TYR A 645 17.890 2.423 -5.562 1.00 1.05 C ATOM 1778 CD1 TYR A 645 18.898 3.213 -4.980 1.00 1.82 C ATOM 1779 CD2 TYR A 645 16.794 3.043 -6.185 1.00 2.11 C ATOM 1780 CE1 TYR A 645 18.825 4.616 -5.052 1.00 1.81 C ATOM 1781 CE2 TYR A 645 16.720 4.445 -6.274 1.00 2.11 C ATOM 1782 CZ TYR A 645 17.743 5.236 -5.710 1.00 1.00 C ATOM 1783 OH TYR A 645 17.701 6.591 -5.817 1.00 1.07 O ATOM 0 H TYR A 645 17.290 0.171 -8.154 1.00 1.38 H new ATOM 0 HA TYR A 645 19.800 0.782 -6.699 1.00 1.31 H new ATOM 0 HB2 TYR A 645 16.993 0.484 -5.571 1.00 1.17 H new ATOM 0 HB3 TYR A 645 18.463 0.592 -4.622 1.00 1.17 H new ATOM 0 HD1 TYR A 645 19.729 2.742 -4.477 1.00 1.82 H new ATOM 0 HD2 TYR A 645 16.001 2.438 -6.599 1.00 2.11 H new ATOM 0 HE1 TYR A 645 19.599 5.220 -4.602 1.00 1.81 H new ATOM 0 HE2 TYR A 645 15.884 4.914 -6.772 1.00 2.11 H new ATOM 0 HH TYR A 645 16.890 6.856 -6.299 1.00 1.07 H new ATOM 1793 N PRO A 646 19.967 -1.765 -7.358 1.00 1.63 N ATOM 1794 CA PRO A 646 20.175 -3.214 -7.423 1.00 1.86 C ATOM 1795 C PRO A 646 20.303 -3.960 -6.073 1.00 1.92 C ATOM 1796 O PRO A 646 19.951 -5.142 -6.021 1.00 2.08 O ATOM 1797 CB PRO A 646 21.381 -3.407 -8.347 1.00 2.09 C ATOM 1798 CG PRO A 646 22.062 -2.040 -8.406 1.00 1.91 C ATOM 1799 CD PRO A 646 20.868 -1.100 -8.291 1.00 1.67 C ATOM 0 HA PRO A 646 19.272 -3.686 -7.811 1.00 1.86 H new ATOM 0 HB2 PRO A 646 22.058 -4.168 -7.958 1.00 2.09 H new ATOM 0 HB3 PRO A 646 21.069 -3.735 -9.339 1.00 2.09 H new ATOM 0 HG2 PRO A 646 22.773 -1.901 -7.592 1.00 1.91 H new ATOM 0 HG3 PRO A 646 22.610 -1.895 -9.337 1.00 1.91 H new ATOM 0 HD2 PRO A 646 21.169 -0.120 -7.921 1.00 1.67 H new ATOM 0 HD3 PRO A 646 20.392 -0.943 -9.259 1.00 1.67 H new ATOM 1807 N MET A 647 20.682 -3.303 -4.967 1.00 1.85 N ATOM 1808 CA MET A 647 20.593 -3.872 -3.608 1.00 1.98 C ATOM 1809 C MET A 647 19.141 -4.187 -3.199 1.00 1.88 C ATOM 1810 O MET A 647 18.873 -5.190 -2.537 1.00 2.08 O ATOM 1811 CB MET A 647 21.204 -2.870 -2.613 1.00 2.03 C ATOM 1812 CG MET A 647 21.084 -3.339 -1.155 1.00 2.52 C ATOM 1813 SD MET A 647 21.295 -2.037 0.079 1.00 2.55 S ATOM 1814 CE MET A 647 19.627 -1.344 -0.021 1.00 2.14 C ATOM 0 H MET A 647 21.061 -2.356 -4.987 1.00 1.85 H new ATOM 0 HA MET A 647 21.142 -4.814 -3.598 1.00 1.98 H new ATOM 0 HB2 MET A 647 22.255 -2.717 -2.856 1.00 2.03 H new ATOM 0 HB3 MET A 647 20.708 -1.906 -2.723 1.00 2.03 H new ATOM 0 HG2 MET A 647 20.105 -3.798 -1.015 1.00 2.52 H new ATOM 0 HG3 MET A 647 21.828 -4.115 -0.975 1.00 2.52 H new ATOM 0 HE1 MET A 647 19.583 -0.417 0.551 1.00 2.14 H new ATOM 0 HE2 MET A 647 19.380 -1.140 -1.063 1.00 2.14 H new ATOM 0 HE3 MET A 647 18.912 -2.057 0.389 1.00 2.14 H new ATOM 1824 N MET A 648 18.188 -3.338 -3.579 1.00 1.63 N ATOM 1825 CA MET A 648 16.763 -3.559 -3.328 1.00 1.50 C ATOM 1826 C MET A 648 16.154 -4.530 -4.350 1.00 1.41 C ATOM 1827 O MET A 648 15.246 -5.283 -4.011 1.00 1.39 O ATOM 1828 CB MET A 648 16.029 -2.213 -3.326 1.00 1.40 C ATOM 1829 CG MET A 648 16.395 -1.299 -2.154 1.00 1.37 C ATOM 1830 SD MET A 648 16.196 -2.010 -0.496 1.00 1.59 S ATOM 1831 CE MET A 648 14.448 -2.498 -0.498 1.00 2.29 C ATOM 0 H MET A 648 18.384 -2.468 -4.075 1.00 1.63 H new ATOM 0 HA MET A 648 16.648 -4.024 -2.349 1.00 1.50 H new ATOM 0 HB2 MET A 648 16.246 -1.693 -4.259 1.00 1.40 H new ATOM 0 HB3 MET A 648 14.955 -2.398 -3.306 1.00 1.40 H new ATOM 0 HG2 MET A 648 17.433 -0.989 -2.272 1.00 1.37 H new ATOM 0 HG3 MET A 648 15.784 -0.399 -2.217 1.00 1.37 H new ATOM 0 HE1 MET A 648 14.177 -2.883 0.485 1.00 2.29 H new ATOM 0 HE2 MET A 648 13.829 -1.632 -0.733 1.00 2.29 H new ATOM 0 HE3 MET A 648 14.287 -3.273 -1.248 1.00 2.29 H new ATOM 1841 N ARG A 649 16.700 -4.598 -5.573 1.00 1.45 N ATOM 1842 CA ARG A 649 16.315 -5.593 -6.592 1.00 1.50 C ATOM 1843 C ARG A 649 16.513 -7.027 -6.076 1.00 1.64 C ATOM 1844 O ARG A 649 15.592 -7.839 -6.171 1.00 1.59 O ATOM 1845 CB ARG A 649 17.099 -5.297 -7.885 1.00 1.68 C ATOM 1846 CG ARG A 649 16.468 -5.715 -9.221 1.00 1.66 C ATOM 1847 CD ARG A 649 16.141 -7.201 -9.417 1.00 1.89 C ATOM 1848 NE ARG A 649 14.797 -7.572 -8.934 1.00 3.42 N ATOM 1849 CZ ARG A 649 13.640 -7.210 -9.460 1.00 4.26 C ATOM 1850 NH1 ARG A 649 13.523 -6.429 -10.491 1.00 4.27 N ATOM 1851 NH2 ARG A 649 12.525 -7.617 -8.948 1.00 6.05 N ATOM 0 H ARG A 649 17.429 -3.958 -5.888 1.00 1.45 H new ATOM 0 HA ARG A 649 15.251 -5.514 -6.814 1.00 1.50 H new ATOM 0 HB2 ARG A 649 17.285 -4.224 -7.925 1.00 1.68 H new ATOM 0 HB3 ARG A 649 18.070 -5.786 -7.806 1.00 1.68 H new ATOM 0 HG2 ARG A 649 15.546 -5.148 -9.349 1.00 1.66 H new ATOM 0 HG3 ARG A 649 17.143 -5.411 -10.021 1.00 1.66 H new ATOM 0 HD2 ARG A 649 16.219 -7.446 -10.476 1.00 1.89 H new ATOM 0 HD3 ARG A 649 16.886 -7.802 -8.895 1.00 1.89 H new ATOM 0 HE ARG A 649 14.757 -8.170 -8.109 1.00 3.42 H new ATOM 0 HH11 ARG A 649 14.357 -6.056 -10.945 1.00 4.27 H new ATOM 0 HH12 ARG A 649 12.598 -6.189 -10.847 1.00 4.27 H new ATOM 0 HH21 ARG A 649 12.532 -8.225 -8.129 1.00 6.05 H new ATOM 0 HH22 ARG A 649 11.638 -7.331 -9.363 1.00 6.05 H new ATOM 1865 N ARG A 650 17.659 -7.331 -5.447 1.00 1.88 N ATOM 1866 CA ARG A 650 17.922 -8.669 -4.868 1.00 2.05 C ATOM 1867 C ARG A 650 17.087 -9.017 -3.635 1.00 2.04 C ATOM 1868 O ARG A 650 16.755 -10.176 -3.409 1.00 2.12 O ATOM 1869 CB ARG A 650 19.418 -8.894 -4.619 1.00 2.31 C ATOM 1870 CG ARG A 650 20.217 -7.934 -3.714 1.00 2.60 C ATOM 1871 CD ARG A 650 19.953 -8.026 -2.201 1.00 3.72 C ATOM 1872 NE ARG A 650 19.985 -9.411 -1.706 1.00 4.59 N ATOM 1873 CZ ARG A 650 19.380 -9.899 -0.642 1.00 6.03 C ATOM 1874 NH1 ARG A 650 18.817 -9.139 0.259 1.00 6.80 N ATOM 1875 NH2 ARG A 650 19.330 -11.187 -0.485 1.00 7.14 N ATOM 0 H ARG A 650 18.425 -6.669 -5.323 1.00 1.88 H new ATOM 0 HA ARG A 650 17.588 -9.370 -5.633 1.00 2.05 H new ATOM 0 HB2 ARG A 650 19.527 -9.895 -4.201 1.00 2.31 H new ATOM 0 HB3 ARG A 650 19.908 -8.900 -5.593 1.00 2.31 H new ATOM 0 HG2 ARG A 650 21.279 -8.111 -3.885 1.00 2.60 H new ATOM 0 HG3 ARG A 650 20.008 -6.913 -4.034 1.00 2.60 H new ATOM 0 HD2 ARG A 650 20.699 -7.436 -1.669 1.00 3.72 H new ATOM 0 HD3 ARG A 650 18.981 -7.586 -1.978 1.00 3.72 H new ATOM 0 HE ARG A 650 20.541 -10.071 -2.250 1.00 4.59 H new ATOM 0 HH11 ARG A 650 18.835 -8.125 0.154 1.00 6.80 H new ATOM 0 HH12 ARG A 650 18.359 -9.560 1.068 1.00 6.80 H new ATOM 0 HH21 ARG A 650 19.755 -11.802 -1.179 1.00 7.14 H new ATOM 0 HH22 ARG A 650 18.866 -11.584 0.332 1.00 7.14 H new ATOM 1889 N ALA A 651 16.685 -8.005 -2.880 1.00 2.00 N ATOM 1890 CA ALA A 651 15.831 -8.136 -1.695 1.00 2.07 C ATOM 1891 C ALA A 651 14.451 -8.761 -1.998 1.00 1.98 C ATOM 1892 O ALA A 651 13.839 -9.380 -1.125 1.00 2.11 O ATOM 1893 CB ALA A 651 15.654 -6.751 -1.062 1.00 2.16 C ATOM 0 H ALA A 651 16.949 -7.039 -3.076 1.00 2.00 H new ATOM 0 HA ALA A 651 16.327 -8.820 -1.007 1.00 2.07 H new ATOM 0 HB1 ALA A 651 15.020 -6.833 -0.179 1.00 2.16 H new ATOM 0 HB2 ALA A 651 16.628 -6.355 -0.774 1.00 2.16 H new ATOM 0 HB3 ALA A 651 15.187 -6.079 -1.782 1.00 2.16 H new ATOM 1899 N PHE A 652 13.975 -8.628 -3.239 1.00 1.81 N ATOM 1900 CA PHE A 652 12.787 -9.312 -3.752 1.00 1.82 C ATOM 1901 C PHE A 652 13.085 -10.650 -4.463 1.00 1.89 C ATOM 1902 O PHE A 652 12.198 -11.496 -4.539 1.00 2.02 O ATOM 1903 CB PHE A 652 12.023 -8.325 -4.638 1.00 1.74 C ATOM 1904 CG PHE A 652 11.351 -7.201 -3.864 1.00 1.61 C ATOM 1905 CD1 PHE A 652 10.218 -7.464 -3.070 1.00 2.61 C ATOM 1906 CD2 PHE A 652 11.870 -5.894 -3.912 1.00 1.75 C ATOM 1907 CE1 PHE A 652 9.617 -6.433 -2.325 1.00 2.56 C ATOM 1908 CE2 PHE A 652 11.266 -4.858 -3.173 1.00 1.74 C ATOM 1909 CZ PHE A 652 10.140 -5.127 -2.373 1.00 1.52 C ATOM 0 H PHE A 652 14.418 -8.025 -3.932 1.00 1.81 H new ATOM 0 HA PHE A 652 12.167 -9.613 -2.907 1.00 1.82 H new ATOM 0 HB2 PHE A 652 12.712 -7.893 -5.363 1.00 1.74 H new ATOM 0 HB3 PHE A 652 11.266 -8.869 -5.203 1.00 1.74 H new ATOM 0 HD1 PHE A 652 9.808 -8.463 -3.033 1.00 2.61 H new ATOM 0 HD2 PHE A 652 12.738 -5.684 -4.520 1.00 1.75 H new ATOM 0 HE1 PHE A 652 8.752 -6.644 -1.714 1.00 2.56 H new ATOM 0 HE2 PHE A 652 11.667 -3.856 -3.220 1.00 1.74 H new ATOM 0 HZ PHE A 652 9.680 -4.336 -1.799 1.00 1.52 H new ATOM 1919 N GLU A 653 14.318 -10.910 -4.914 1.00 2.00 N ATOM 1920 CA GLU A 653 14.725 -12.211 -5.490 1.00 2.25 C ATOM 1921 C GLU A 653 14.810 -13.320 -4.429 1.00 2.41 C ATOM 1922 O GLU A 653 14.489 -14.479 -4.703 1.00 2.53 O ATOM 1923 CB GLU A 653 16.109 -12.087 -6.156 1.00 2.68 C ATOM 1924 CG GLU A 653 16.138 -11.222 -7.419 1.00 2.20 C ATOM 1925 CD GLU A 653 15.669 -12.023 -8.636 1.00 2.75 C ATOM 1926 OE1 GLU A 653 14.448 -12.075 -8.917 1.00 3.00 O ATOM 1927 OE2 GLU A 653 16.534 -12.598 -9.340 1.00 3.79 O ATOM 0 H GLU A 653 15.072 -10.223 -4.892 1.00 2.00 H new ATOM 0 HA GLU A 653 13.961 -12.479 -6.219 1.00 2.25 H new ATOM 0 HB2 GLU A 653 16.809 -11.671 -5.432 1.00 2.68 H new ATOM 0 HB3 GLU A 653 16.466 -13.085 -6.408 1.00 2.68 H new ATOM 0 HG2 GLU A 653 15.498 -10.350 -7.283 1.00 2.20 H new ATOM 0 HG3 GLU A 653 17.149 -10.852 -7.589 1.00 2.20 H new ATOM 1934 N THR A 654 15.219 -12.956 -3.208 1.00 2.49 N ATOM 1935 CA THR A 654 15.482 -13.882 -2.084 1.00 2.76 C ATOM 1936 C THR A 654 14.204 -14.447 -1.453 1.00 2.76 C ATOM 1937 O THR A 654 14.196 -15.536 -0.871 1.00 3.07 O ATOM 1938 CB THR A 654 16.363 -13.185 -1.038 1.00 2.98 C ATOM 1939 OG1 THR A 654 16.685 -14.052 0.026 1.00 3.48 O ATOM 1940 CG2 THR A 654 15.719 -11.926 -0.465 1.00 2.72 C ATOM 0 H THR A 654 15.383 -11.980 -2.960 1.00 2.49 H new ATOM 0 HA THR A 654 16.012 -14.744 -2.488 1.00 2.76 H new ATOM 0 HB THR A 654 17.270 -12.897 -1.569 1.00 2.98 H new ATOM 0 HG1 THR A 654 17.248 -13.579 0.674 1.00 3.48 H new ATOM 0 HG21 THR A 654 16.388 -11.477 0.269 1.00 2.72 H new ATOM 0 HG22 THR A 654 15.532 -11.214 -1.269 1.00 2.72 H new ATOM 0 HG23 THR A 654 14.776 -12.186 0.015 1.00 2.72 H new ATOM 1948 N VAL A 655 13.105 -13.709 -1.616 1.00 2.54 N ATOM 1949 CA VAL A 655 11.732 -14.114 -1.274 1.00 2.70 C ATOM 1950 C VAL A 655 11.082 -14.887 -2.422 1.00 2.69 C ATOM 1951 O VAL A 655 10.475 -15.929 -2.185 1.00 2.96 O ATOM 1952 CB VAL A 655 10.894 -12.893 -0.832 1.00 2.89 C ATOM 1953 CG1 VAL A 655 10.965 -11.711 -1.783 1.00 2.51 C ATOM 1954 CG2 VAL A 655 9.434 -13.238 -0.532 1.00 3.40 C ATOM 0 H VAL A 655 13.145 -12.768 -2.008 1.00 2.54 H new ATOM 0 HA VAL A 655 11.774 -14.796 -0.425 1.00 2.70 H new ATOM 0 HB VAL A 655 11.369 -12.584 0.099 1.00 2.89 H new ATOM 0 HG11 VAL A 655 10.349 -10.898 -1.399 1.00 2.51 H new ATOM 0 HG12 VAL A 655 11.998 -11.375 -1.869 1.00 2.51 H new ATOM 0 HG13 VAL A 655 10.598 -12.011 -2.765 1.00 2.51 H new ATOM 0 HG21 VAL A 655 8.902 -12.337 -0.227 1.00 3.40 H new ATOM 0 HG22 VAL A 655 8.966 -13.650 -1.426 1.00 3.40 H new ATOM 0 HG23 VAL A 655 9.392 -13.973 0.272 1.00 3.40 H new