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 593 THR OG1 : rot 180:sc= -0.019 USER MOD Set 1.2: A 596 ASN : amide:sc= -0.698 K(o=-0.85,f=-2.3) USER MOD Set 1.3: A 599 MET CE :methyl -162:sc= -0.131 (180deg=-0.595) USER MOD Set 2.1: A 590 SER OG : rot 160:sc= 0.817 USER MOD Set 2.2: A 600 LYS NZ :NH3+ 176:sc= 2.13 (180deg=1.14) USER MOD Set 3.1: A 542 MET CE :methyl 173:sc= -0.696 (180deg=-0.825) USER MOD Set 3.2: A 581 MET CE :methyl -149:sc= -0.245 (180deg=-1.4) USER MOD Set 4.1: A 559 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0) USER MOD Set 4.2: A 637 ASN : amide:sc= 1.85 K(o=2.9,f=-3.4!) USER MOD Single : A 535 CYS SG : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 101:sc= 1.3 USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 554 THR OG1 : rot 103:sc= 0.0784 USER MOD Single : A 556 MET CE :methyl -168:sc= -0.606 (180deg=-1.29) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0.271 X(o=0.27,f=-0.041) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 579 LYS NZ :NH3+ -125:sc= -0.0199 (180deg=-1.37!) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= -0.0581 K(o=-0.058,f=-1.2) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) 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 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 180:sc= 0 USER MOD Single : A 606 TYR OH : rot 146:sc= 1.32 USER MOD Single : A 611 CYS SG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot -89:sc= 1.24 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= -0.0283 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 180:sc= -0.62 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 634 SER OG : rot 180:sc= 0.0705 USER MOD Single : A 639 ASN : amide:sc= 1.12 K(o=1.1,f=-0.28) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl -138:sc= 0 (180deg=-0.228) USER MOD Single : A 648 MET CE :methyl -177:sc= -0.0336 (180deg=-0.0752) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 4.336 11.368 4.788 1.00 2.49 N ATOM 16 CA CYS A 535 4.295 10.327 3.747 1.00 2.09 C ATOM 17 C CYS A 535 5.630 9.566 3.570 1.00 1.57 C ATOM 18 O CYS A 535 5.619 8.355 3.332 1.00 1.38 O ATOM 19 CB CYS A 535 3.807 10.938 2.424 1.00 2.77 C ATOM 20 SG CYS A 535 4.896 12.280 1.853 1.00 3.63 S ATOM 0 HA CYS A 535 3.586 9.569 4.079 1.00 2.09 H new ATOM 0 HB2 CYS A 535 3.758 10.161 1.661 1.00 2.77 H new ATOM 0 HB3 CYS A 535 2.795 11.322 2.553 1.00 2.77 H new ATOM 0 HG CYS A 535 4.442 12.761 0.734 1.00 3.63 H new ATOM 26 N ARG A 536 6.780 10.234 3.760 1.00 1.63 N ATOM 27 CA ARG A 536 8.114 9.610 3.684 1.00 1.45 C ATOM 28 C ARG A 536 8.321 8.589 4.808 1.00 1.30 C ATOM 29 O ARG A 536 8.664 7.442 4.521 1.00 1.30 O ATOM 30 CB ARG A 536 9.188 10.712 3.664 1.00 1.93 C ATOM 31 CG ARG A 536 10.619 10.179 3.468 1.00 1.69 C ATOM 32 CD ARG A 536 11.651 11.314 3.554 1.00 2.03 C ATOM 33 NE ARG A 536 11.688 11.930 4.896 1.00 2.62 N ATOM 34 CZ ARG A 536 12.401 11.561 5.944 1.00 3.37 C ATOM 35 NH1 ARG A 536 13.219 10.549 5.932 1.00 3.88 N ATOM 36 NH2 ARG A 536 12.286 12.242 7.042 1.00 4.46 N ATOM 0 H ARG A 536 6.811 11.231 3.973 1.00 1.63 H new ATOM 0 HA ARG A 536 8.200 9.042 2.757 1.00 1.45 H new ATOM 0 HB2 ARG A 536 8.959 11.415 2.863 1.00 1.93 H new ATOM 0 HB3 ARG A 536 9.142 11.269 4.600 1.00 1.93 H new ATOM 0 HG2 ARG A 536 10.837 9.427 4.227 1.00 1.69 H new ATOM 0 HG3 ARG A 536 10.697 9.686 2.499 1.00 1.69 H new ATOM 0 HD2 ARG A 536 12.639 10.925 3.307 1.00 2.03 H new ATOM 0 HD3 ARG A 536 11.414 12.076 2.812 1.00 2.03 H new ATOM 0 HE ARG A 536 11.087 12.743 5.030 1.00 2.62 H new ATOM 0 HH11 ARG A 536 13.334 9.996 5.083 1.00 3.88 H new ATOM 0 HH12 ARG A 536 13.745 10.309 6.772 1.00 3.88 H new ATOM 0 HH21 ARG A 536 11.655 13.043 7.082 1.00 4.46 H new ATOM 0 HH22 ARG A 536 12.826 11.977 7.866 1.00 4.46 H new ATOM 50 N LYS A 537 8.021 8.941 6.065 1.00 1.31 N ATOM 51 CA LYS A 537 8.004 8.010 7.205 1.00 1.27 C ATOM 52 C LYS A 537 7.050 6.833 6.985 1.00 1.09 C ATOM 53 O LYS A 537 7.354 5.725 7.423 1.00 1.14 O ATOM 54 CB LYS A 537 7.622 8.806 8.457 1.00 1.51 C ATOM 55 CG LYS A 537 7.672 7.957 9.734 1.00 2.04 C ATOM 56 CD LYS A 537 7.478 8.874 10.941 1.00 2.57 C ATOM 57 CE LYS A 537 7.543 8.096 12.265 1.00 3.14 C ATOM 58 NZ LYS A 537 6.318 7.300 12.524 1.00 4.00 N ATOM 0 H LYS A 537 7.779 9.897 6.325 1.00 1.31 H new ATOM 0 HA LYS A 537 8.994 7.569 7.321 1.00 1.27 H new ATOM 0 HB2 LYS A 537 8.297 9.655 8.563 1.00 1.51 H new ATOM 0 HB3 LYS A 537 6.618 9.211 8.333 1.00 1.51 H new ATOM 0 HG2 LYS A 537 6.894 7.194 9.711 1.00 2.04 H new ATOM 0 HG3 LYS A 537 8.627 7.437 9.805 1.00 2.04 H new ATOM 0 HD2 LYS A 537 8.245 9.648 10.936 1.00 2.57 H new ATOM 0 HD3 LYS A 537 6.515 9.379 10.863 1.00 2.57 H new ATOM 0 HE2 LYS A 537 8.406 7.431 12.248 1.00 3.14 H new ATOM 0 HE3 LYS A 537 7.696 8.797 13.086 1.00 3.14 H new ATOM 0 HZ1 LYS A 537 6.416 6.796 13.429 1.00 4.00 H new ATOM 0 HZ2 LYS A 537 5.495 7.934 12.568 1.00 4.00 H new ATOM 0 HZ3 LYS A 537 6.183 6.611 11.757 1.00 4.00 H new ATOM 72 N LEU A 538 5.930 7.047 6.293 1.00 1.04 N ATOM 73 CA LEU A 538 4.869 6.050 6.126 1.00 1.02 C ATOM 74 C LEU A 538 5.236 4.966 5.105 1.00 0.93 C ATOM 75 O LEU A 538 4.929 3.798 5.335 1.00 1.06 O ATOM 76 CB LEU A 538 3.553 6.764 5.775 1.00 1.14 C ATOM 77 CG LEU A 538 2.876 7.416 6.997 1.00 1.18 C ATOM 78 CD1 LEU A 538 1.806 8.405 6.545 1.00 2.43 C ATOM 79 CD2 LEU A 538 2.181 6.366 7.865 1.00 2.14 C ATOM 0 H LEU A 538 5.731 7.931 5.825 1.00 1.04 H new ATOM 0 HA LEU A 538 4.739 5.520 7.070 1.00 1.02 H new ATOM 0 HB2 LEU A 538 3.751 7.530 5.025 1.00 1.14 H new ATOM 0 HB3 LEU A 538 2.866 6.047 5.326 1.00 1.14 H new ATOM 0 HG LEU A 538 3.658 7.919 7.566 1.00 1.18 H new ATOM 0 HD11 LEU A 538 1.337 8.858 7.418 1.00 2.43 H new ATOM 0 HD12 LEU A 538 2.264 9.184 5.935 1.00 2.43 H new ATOM 0 HD13 LEU A 538 1.051 7.882 5.958 1.00 2.43 H new ATOM 0 HD21 LEU A 538 1.712 6.853 8.720 1.00 2.14 H new ATOM 0 HD22 LEU A 538 1.420 5.853 7.277 1.00 2.14 H new ATOM 0 HD23 LEU A 538 2.915 5.642 8.218 1.00 2.14 H new ATOM 91 N VAL A 539 5.955 5.305 4.030 1.00 0.82 N ATOM 92 CA VAL A 539 6.559 4.295 3.142 1.00 0.81 C ATOM 93 C VAL A 539 7.787 3.643 3.799 1.00 0.96 C ATOM 94 O VAL A 539 7.930 2.424 3.768 1.00 1.12 O ATOM 95 CB VAL A 539 6.797 4.878 1.733 1.00 0.71 C ATOM 96 CG1 VAL A 539 8.182 5.494 1.569 1.00 0.84 C ATOM 97 CG2 VAL A 539 6.595 3.800 0.668 1.00 0.88 C ATOM 0 H VAL A 539 6.135 6.269 3.750 1.00 0.82 H new ATOM 0 HA VAL A 539 5.860 3.472 2.992 1.00 0.81 H new ATOM 0 HB VAL A 539 6.066 5.676 1.605 1.00 0.71 H new ATOM 0 HG11 VAL A 539 8.288 5.886 0.558 1.00 0.84 H new ATOM 0 HG12 VAL A 539 8.307 6.304 2.288 1.00 0.84 H new ATOM 0 HG13 VAL A 539 8.942 4.733 1.744 1.00 0.84 H new ATOM 0 HG21 VAL A 539 6.767 4.228 -0.320 1.00 0.88 H new ATOM 0 HG22 VAL A 539 7.298 2.985 0.838 1.00 0.88 H new ATOM 0 HG23 VAL A 539 5.576 3.418 0.726 1.00 0.88 H new ATOM 107 N ALA A 540 8.622 4.419 4.502 1.00 1.02 N ATOM 108 CA ALA A 540 9.849 3.937 5.144 1.00 1.26 C ATOM 109 C ALA A 540 9.635 2.984 6.340 1.00 1.37 C ATOM 110 O ALA A 540 10.611 2.408 6.831 1.00 1.57 O ATOM 111 CB ALA A 540 10.659 5.161 5.585 1.00 1.39 C ATOM 0 H ALA A 540 8.460 5.416 4.642 1.00 1.02 H new ATOM 0 HA ALA A 540 10.377 3.334 4.406 1.00 1.26 H new ATOM 0 HB1 ALA A 540 11.580 4.833 6.067 1.00 1.39 H new ATOM 0 HB2 ALA A 540 10.902 5.769 4.714 1.00 1.39 H new ATOM 0 HB3 ALA A 540 10.072 5.752 6.288 1.00 1.39 H new ATOM 117 N SER A 541 8.396 2.825 6.822 1.00 1.36 N ATOM 118 CA SER A 541 8.043 2.071 8.027 1.00 1.56 C ATOM 119 C SER A 541 7.480 0.673 7.736 1.00 1.51 C ATOM 120 O SER A 541 7.352 -0.161 8.641 1.00 1.64 O ATOM 121 CB SER A 541 7.039 2.881 8.822 1.00 1.78 C ATOM 122 OG SER A 541 7.663 4.012 9.401 1.00 2.77 O ATOM 0 H SER A 541 7.582 3.235 6.364 1.00 1.36 H new ATOM 0 HA SER A 541 8.960 1.910 8.594 1.00 1.56 H new ATOM 0 HB2 SER A 541 6.224 3.200 8.172 1.00 1.78 H new ATOM 0 HB3 SER A 541 6.599 2.261 9.603 1.00 1.78 H new ATOM 0 HG SER A 541 7.455 4.808 8.869 1.00 2.77 H new ATOM 128 N MET A 542 7.161 0.402 6.471 1.00 1.38 N ATOM 129 CA MET A 542 6.705 -0.891 5.985 1.00 1.36 C ATOM 130 C MET A 542 7.774 -1.978 6.215 1.00 1.29 C ATOM 131 O MET A 542 8.966 -1.709 6.060 1.00 1.27 O ATOM 132 CB MET A 542 6.410 -0.762 4.488 1.00 1.34 C ATOM 133 CG MET A 542 5.060 -0.112 4.169 1.00 1.78 C ATOM 134 SD MET A 542 4.638 -0.123 2.400 1.00 2.59 S ATOM 135 CE MET A 542 4.267 -1.883 2.154 1.00 1.73 C ATOM 0 H MET A 542 7.216 1.105 5.734 1.00 1.38 H new ATOM 0 HA MET A 542 5.808 -1.186 6.530 1.00 1.36 H new ATOM 0 HB2 MET A 542 7.202 -0.176 4.022 1.00 1.34 H new ATOM 0 HB3 MET A 542 6.439 -1.754 4.036 1.00 1.34 H new ATOM 0 HG2 MET A 542 4.278 -0.631 4.723 1.00 1.78 H new ATOM 0 HG3 MET A 542 5.071 0.919 4.524 1.00 1.78 H new ATOM 0 HE1 MET A 542 3.871 -2.034 1.150 1.00 1.73 H new ATOM 0 HE2 MET A 542 5.179 -2.468 2.277 1.00 1.73 H new ATOM 0 HE3 MET A 542 3.528 -2.205 2.888 1.00 1.73 H new ATOM 145 N PRO A 543 7.387 -3.240 6.478 1.00 1.33 N ATOM 146 CA PRO A 543 8.335 -4.335 6.719 1.00 1.39 C ATOM 147 C PRO A 543 9.177 -4.677 5.473 1.00 1.29 C ATOM 148 O PRO A 543 10.286 -5.200 5.586 1.00 1.37 O ATOM 149 CB PRO A 543 7.469 -5.507 7.198 1.00 1.59 C ATOM 150 CG PRO A 543 6.098 -5.234 6.576 1.00 1.56 C ATOM 151 CD PRO A 543 6.013 -3.707 6.557 1.00 1.45 C ATOM 0 HA PRO A 543 9.084 -4.064 7.463 1.00 1.39 H new ATOM 0 HB2 PRO A 543 7.874 -6.463 6.867 1.00 1.59 H new ATOM 0 HB3 PRO A 543 7.413 -5.543 8.286 1.00 1.59 H new ATOM 0 HG2 PRO A 543 6.022 -5.653 5.573 1.00 1.56 H new ATOM 0 HG3 PRO A 543 5.294 -5.674 7.167 1.00 1.56 H new ATOM 0 HD2 PRO A 543 5.431 -3.357 5.705 1.00 1.45 H new ATOM 0 HD3 PRO A 543 5.522 -3.331 7.454 1.00 1.45 H new ATOM 159 N LEU A 544 8.696 -4.304 4.280 1.00 1.22 N ATOM 160 CA LEU A 544 9.428 -4.402 3.009 1.00 1.21 C ATOM 161 C LEU A 544 10.534 -3.327 2.871 1.00 1.19 C ATOM 162 O LEU A 544 11.406 -3.440 2.009 1.00 1.23 O ATOM 163 CB LEU A 544 8.458 -4.315 1.803 1.00 1.26 C ATOM 164 CG LEU A 544 6.977 -4.691 1.997 1.00 1.95 C ATOM 165 CD1 LEU A 544 6.205 -4.430 0.701 1.00 1.74 C ATOM 166 CD2 LEU A 544 6.753 -6.150 2.374 1.00 3.49 C ATOM 0 H LEU A 544 7.760 -3.914 4.168 1.00 1.22 H new ATOM 0 HA LEU A 544 9.916 -5.376 3.012 1.00 1.21 H new ATOM 0 HB2 LEU A 544 8.490 -3.291 1.431 1.00 1.26 H new ATOM 0 HB3 LEU A 544 8.857 -4.953 1.015 1.00 1.26 H new ATOM 0 HG LEU A 544 6.624 -4.073 2.822 1.00 1.95 H new ATOM 0 HD11 LEU A 544 5.158 -4.697 0.841 1.00 1.74 H new ATOM 0 HD12 LEU A 544 6.279 -3.374 0.440 1.00 1.74 H new ATOM 0 HD13 LEU A 544 6.628 -5.033 -0.102 1.00 1.74 H new ATOM 0 HD21 LEU A 544 5.685 -6.335 2.493 1.00 3.49 H new ATOM 0 HD22 LEU A 544 7.148 -6.794 1.588 1.00 3.49 H new ATOM 0 HD23 LEU A 544 7.265 -6.366 3.312 1.00 3.49 H new ATOM 178 N PHE A 545 10.491 -2.279 3.702 1.00 1.17 N ATOM 179 CA PHE A 545 11.351 -1.088 3.679 1.00 1.15 C ATOM 180 C PHE A 545 12.274 -0.992 4.913 1.00 1.23 C ATOM 181 O PHE A 545 12.981 0.004 5.082 1.00 1.22 O ATOM 182 CB PHE A 545 10.468 0.165 3.551 1.00 1.12 C ATOM 183 CG PHE A 545 9.810 0.374 2.198 1.00 1.03 C ATOM 184 CD1 PHE A 545 8.726 -0.424 1.787 1.00 1.76 C ATOM 185 CD2 PHE A 545 10.228 1.443 1.387 1.00 2.19 C ATOM 186 CE1 PHE A 545 8.042 -0.132 0.595 1.00 1.69 C ATOM 187 CE2 PHE A 545 9.554 1.734 0.190 1.00 2.28 C ATOM 188 CZ PHE A 545 8.446 0.960 -0.190 1.00 1.08 C ATOM 0 H PHE A 545 9.809 -2.237 4.459 1.00 1.17 H new ATOM 0 HA PHE A 545 12.013 -1.166 2.817 1.00 1.15 H new ATOM 0 HB2 PHE A 545 9.687 0.115 4.310 1.00 1.12 H new ATOM 0 HB3 PHE A 545 11.077 1.040 3.777 1.00 1.12 H new ATOM 0 HD1 PHE A 545 8.418 -1.265 2.391 1.00 1.76 H new ATOM 0 HD2 PHE A 545 11.073 2.045 1.686 1.00 2.19 H new ATOM 0 HE1 PHE A 545 7.209 -0.745 0.284 1.00 1.69 H new ATOM 0 HE2 PHE A 545 9.886 2.549 -0.435 1.00 2.28 H new ATOM 0 HZ PHE A 545 7.902 1.206 -1.090 1.00 1.08 H new ATOM 198 N ALA A 546 12.292 -2.028 5.754 1.00 1.34 N ATOM 199 CA ALA A 546 13.055 -2.153 6.996 1.00 1.50 C ATOM 200 C ALA A 546 14.524 -1.690 6.929 1.00 1.54 C ATOM 201 O ALA A 546 15.027 -1.100 7.885 1.00 1.70 O ATOM 202 CB ALA A 546 13.019 -3.640 7.337 1.00 1.61 C ATOM 0 H ALA A 546 11.733 -2.861 5.571 1.00 1.34 H new ATOM 0 HA ALA A 546 12.601 -1.498 7.740 1.00 1.50 H new ATOM 0 HB1 ALA A 546 13.572 -3.815 8.260 1.00 1.61 H new ATOM 0 HB2 ALA A 546 11.985 -3.958 7.468 1.00 1.61 H new ATOM 0 HB3 ALA A 546 13.474 -4.210 6.527 1.00 1.61 H new ATOM 208 N ASN A 547 15.196 -1.958 5.805 1.00 1.52 N ATOM 209 CA ASN A 547 16.602 -1.617 5.550 1.00 1.74 C ATOM 210 C ASN A 547 16.785 -0.739 4.299 1.00 1.59 C ATOM 211 O ASN A 547 17.895 -0.615 3.775 1.00 1.76 O ATOM 212 CB ASN A 547 17.444 -2.902 5.552 1.00 2.20 C ATOM 213 CG ASN A 547 17.110 -3.888 4.442 1.00 2.16 C ATOM 214 OD1 ASN A 547 17.783 -3.976 3.423 1.00 2.99 O ATOM 215 ND2 ASN A 547 16.081 -4.679 4.627 1.00 2.57 N ATOM 0 H ASN A 547 14.760 -2.437 5.017 1.00 1.52 H new ATOM 0 HA ASN A 547 16.970 -0.985 6.359 1.00 1.74 H new ATOM 0 HB2 ASN A 547 18.496 -2.630 5.472 1.00 2.20 H new ATOM 0 HB3 ASN A 547 17.316 -3.401 6.512 1.00 2.20 H new ATOM 0 HD21 ASN A 547 15.837 -5.373 3.920 1.00 2.57 H new ATOM 0 HD22 ASN A 547 15.524 -4.601 5.478 1.00 2.57 H new ATOM 222 N ALA A 548 15.692 -0.128 3.833 1.00 1.35 N ATOM 223 CA ALA A 548 15.658 0.705 2.625 1.00 1.24 C ATOM 224 C ALA A 548 16.673 1.864 2.636 1.00 1.20 C ATOM 225 O ALA A 548 16.911 2.512 3.665 1.00 1.28 O ATOM 226 CB ALA A 548 14.248 1.267 2.379 1.00 1.22 C ATOM 0 H ALA A 548 14.785 -0.200 4.295 1.00 1.35 H new ATOM 0 HA ALA A 548 15.943 0.037 1.812 1.00 1.24 H new ATOM 0 HB1 ALA A 548 14.253 1.880 1.478 1.00 1.22 H new ATOM 0 HB2 ALA A 548 13.545 0.444 2.254 1.00 1.22 H new ATOM 0 HB3 ALA A 548 13.945 1.876 3.231 1.00 1.22 H new ATOM 232 N ASP A 549 17.205 2.172 1.452 1.00 1.11 N ATOM 233 CA ASP A 549 18.020 3.359 1.182 1.00 1.04 C ATOM 234 C ASP A 549 17.161 4.646 1.272 1.00 1.02 C ATOM 235 O ASP A 549 16.159 4.753 0.560 1.00 0.98 O ATOM 236 CB ASP A 549 18.670 3.183 -0.202 1.00 0.99 C ATOM 237 CG ASP A 549 19.578 4.347 -0.583 1.00 1.07 C ATOM 238 OD1 ASP A 549 19.116 5.509 -0.609 1.00 2.16 O ATOM 239 OD2 ASP A 549 20.793 4.121 -0.782 1.00 1.57 O ATOM 0 H ASP A 549 17.077 1.584 0.628 1.00 1.11 H new ATOM 0 HA ASP A 549 18.805 3.466 1.931 1.00 1.04 H new ATOM 0 HB2 ASP A 549 19.249 2.259 -0.211 1.00 0.99 H new ATOM 0 HB3 ASP A 549 17.888 3.077 -0.954 1.00 0.99 H new ATOM 244 N PRO A 550 17.526 5.653 2.091 1.00 1.09 N ATOM 245 CA PRO A 550 16.697 6.839 2.349 1.00 1.12 C ATOM 246 C PRO A 550 16.456 7.753 1.133 1.00 1.10 C ATOM 247 O PRO A 550 15.626 8.660 1.215 1.00 1.22 O ATOM 248 CB PRO A 550 17.433 7.597 3.460 1.00 1.21 C ATOM 249 CG PRO A 550 18.888 7.211 3.227 1.00 1.21 C ATOM 250 CD PRO A 550 18.758 5.739 2.859 1.00 1.16 C ATOM 0 HA PRO A 550 15.691 6.521 2.622 1.00 1.12 H new ATOM 0 HB2 PRO A 550 17.283 8.674 3.382 1.00 1.21 H new ATOM 0 HB3 PRO A 550 17.089 7.298 4.450 1.00 1.21 H new ATOM 0 HG2 PRO A 550 19.344 7.795 2.427 1.00 1.21 H new ATOM 0 HG3 PRO A 550 19.499 7.359 4.118 1.00 1.21 H new ATOM 0 HD2 PRO A 550 19.613 5.401 2.273 1.00 1.16 H new ATOM 0 HD3 PRO A 550 18.713 5.112 3.749 1.00 1.16 H new ATOM 258 N ASN A 551 17.162 7.545 0.021 1.00 1.02 N ATOM 259 CA ASN A 551 16.948 8.229 -1.265 1.00 0.97 C ATOM 260 C ASN A 551 16.046 7.417 -2.212 1.00 0.85 C ATOM 261 O ASN A 551 15.244 8.007 -2.940 1.00 0.79 O ATOM 262 CB ASN A 551 18.308 8.583 -1.901 1.00 1.08 C ATOM 263 CG ASN A 551 18.963 9.778 -1.230 1.00 1.55 C ATOM 264 OD1 ASN A 551 18.724 10.919 -1.607 1.00 2.32 O ATOM 265 ND2 ASN A 551 19.786 9.585 -0.225 1.00 2.05 N ATOM 0 H ASN A 551 17.928 6.872 -0.015 1.00 1.02 H new ATOM 0 HA ASN A 551 16.410 9.158 -1.077 1.00 0.97 H new ATOM 0 HB2 ASN A 551 18.973 7.722 -1.835 1.00 1.08 H new ATOM 0 HB3 ASN A 551 18.167 8.796 -2.961 1.00 1.08 H new ATOM 0 HD21 ASN A 551 20.222 10.383 0.237 1.00 2.05 H new ATOM 0 HD22 ASN A 551 19.989 8.637 0.093 1.00 2.05 H new ATOM 272 N PHE A 552 16.118 6.082 -2.159 1.00 0.87 N ATOM 273 CA PHE A 552 15.219 5.168 -2.892 1.00 0.82 C ATOM 274 C PHE A 552 13.757 5.363 -2.469 1.00 0.78 C ATOM 275 O PHE A 552 12.870 5.523 -3.309 1.00 0.72 O ATOM 276 CB PHE A 552 15.659 3.714 -2.640 1.00 0.88 C ATOM 277 CG PHE A 552 14.623 2.642 -2.935 1.00 0.87 C ATOM 278 CD1 PHE A 552 14.361 2.242 -4.256 1.00 1.56 C ATOM 279 CD2 PHE A 552 13.910 2.044 -1.877 1.00 2.19 C ATOM 280 CE1 PHE A 552 13.378 1.274 -4.521 1.00 1.60 C ATOM 281 CE2 PHE A 552 12.930 1.071 -2.138 1.00 2.19 C ATOM 282 CZ PHE A 552 12.664 0.686 -3.463 1.00 0.93 C ATOM 0 H PHE A 552 16.814 5.592 -1.596 1.00 0.87 H new ATOM 0 HA PHE A 552 15.285 5.393 -3.956 1.00 0.82 H new ATOM 0 HB2 PHE A 552 16.543 3.513 -3.245 1.00 0.88 H new ATOM 0 HB3 PHE A 552 15.960 3.622 -1.596 1.00 0.88 H new ATOM 0 HD1 PHE A 552 14.918 2.680 -5.071 1.00 1.56 H new ATOM 0 HD2 PHE A 552 14.118 2.335 -0.858 1.00 2.19 H new ATOM 0 HE1 PHE A 552 13.171 0.981 -5.540 1.00 1.60 H new ATOM 0 HE2 PHE A 552 12.383 0.621 -1.323 1.00 2.19 H new ATOM 0 HZ PHE A 552 11.912 -0.061 -3.668 1.00 0.93 H new ATOM 292 N VAL A 553 13.509 5.409 -1.156 1.00 0.84 N ATOM 293 CA VAL A 553 12.147 5.522 -0.590 1.00 0.83 C ATOM 294 C VAL A 553 11.461 6.833 -0.980 1.00 0.77 C ATOM 295 O VAL A 553 10.252 6.883 -1.185 1.00 0.74 O ATOM 296 CB VAL A 553 12.153 5.342 0.938 1.00 0.99 C ATOM 297 CG1 VAL A 553 12.879 4.050 1.268 1.00 1.31 C ATOM 298 CG2 VAL A 553 12.885 6.411 1.746 1.00 1.57 C ATOM 0 H VAL A 553 14.243 5.369 -0.449 1.00 0.84 H new ATOM 0 HA VAL A 553 11.564 4.710 -1.025 1.00 0.83 H new ATOM 0 HB VAL A 553 11.098 5.379 1.211 1.00 0.99 H new ATOM 0 HG11 VAL A 553 12.893 3.906 2.348 1.00 1.31 H new ATOM 0 HG12 VAL A 553 12.364 3.213 0.797 1.00 1.31 H new ATOM 0 HG13 VAL A 553 13.902 4.102 0.896 1.00 1.31 H new ATOM 0 HG21 VAL A 553 12.819 6.174 2.808 1.00 1.57 H new ATOM 0 HG22 VAL A 553 13.932 6.441 1.445 1.00 1.57 H new ATOM 0 HG23 VAL A 553 12.427 7.383 1.562 1.00 1.57 H new ATOM 308 N THR A 554 12.270 7.873 -1.157 1.00 0.77 N ATOM 309 CA THR A 554 11.869 9.215 -1.600 1.00 0.76 C ATOM 310 C THR A 554 11.669 9.292 -3.114 1.00 0.64 C ATOM 311 O THR A 554 10.717 9.922 -3.587 1.00 0.69 O ATOM 312 CB THR A 554 12.931 10.237 -1.173 1.00 0.89 C ATOM 313 OG1 THR A 554 13.019 10.293 0.230 1.00 1.08 O ATOM 314 CG2 THR A 554 12.596 11.635 -1.671 1.00 0.99 C ATOM 0 H THR A 554 13.274 7.805 -0.989 1.00 0.77 H new ATOM 0 HA THR A 554 10.912 9.441 -1.129 1.00 0.76 H new ATOM 0 HB THR A 554 13.876 9.912 -1.608 1.00 0.89 H new ATOM 0 HG1 THR A 554 13.818 9.809 0.527 1.00 1.08 H new ATOM 0 HG21 THR A 554 13.371 12.331 -1.349 1.00 0.99 H new ATOM 0 HG22 THR A 554 12.542 11.630 -2.760 1.00 0.99 H new ATOM 0 HG23 THR A 554 11.635 11.947 -1.261 1.00 0.99 H new ATOM 322 N ALA A 555 12.527 8.633 -3.899 1.00 0.58 N ATOM 323 CA ALA A 555 12.417 8.603 -5.358 1.00 0.61 C ATOM 324 C ALA A 555 11.108 7.949 -5.837 1.00 0.64 C ATOM 325 O ALA A 555 10.631 8.227 -6.938 1.00 0.77 O ATOM 326 CB ALA A 555 13.639 7.866 -5.912 1.00 0.68 C ATOM 0 H ALA A 555 13.320 8.104 -3.537 1.00 0.58 H new ATOM 0 HA ALA A 555 12.390 9.626 -5.732 1.00 0.61 H new ATOM 0 HB1 ALA A 555 13.580 7.830 -7.000 1.00 0.68 H new ATOM 0 HB2 ALA A 555 14.547 8.392 -5.615 1.00 0.68 H new ATOM 0 HB3 ALA A 555 13.662 6.851 -5.516 1.00 0.68 H new ATOM 332 N MET A 556 10.494 7.126 -4.984 1.00 0.60 N ATOM 333 CA MET A 556 9.229 6.436 -5.253 1.00 0.69 C ATOM 334 C MET A 556 8.001 7.362 -5.260 1.00 0.66 C ATOM 335 O MET A 556 6.978 7.025 -5.855 1.00 0.81 O ATOM 336 CB MET A 556 9.085 5.350 -4.184 1.00 0.83 C ATOM 337 CG MET A 556 8.013 4.312 -4.527 1.00 0.78 C ATOM 338 SD MET A 556 7.959 2.891 -3.405 1.00 0.92 S ATOM 339 CE MET A 556 9.701 2.377 -3.420 1.00 0.75 C ATOM 0 H MET A 556 10.873 6.915 -4.061 1.00 0.60 H new ATOM 0 HA MET A 556 9.263 6.019 -6.260 1.00 0.69 H new ATOM 0 HB2 MET A 556 10.043 4.846 -4.055 1.00 0.83 H new ATOM 0 HB3 MET A 556 8.839 5.817 -3.230 1.00 0.83 H new ATOM 0 HG2 MET A 556 7.038 4.800 -4.523 1.00 0.78 H new ATOM 0 HG3 MET A 556 8.185 3.952 -5.541 1.00 0.78 H new ATOM 0 HE1 MET A 556 9.795 1.397 -2.953 1.00 0.75 H new ATOM 0 HE2 MET A 556 10.056 2.324 -4.449 1.00 0.75 H new ATOM 0 HE3 MET A 556 10.299 3.101 -2.867 1.00 0.75 H new ATOM 349 N LEU A 557 8.088 8.531 -4.618 1.00 0.63 N ATOM 350 CA LEU A 557 6.960 9.448 -4.388 1.00 0.78 C ATOM 351 C LEU A 557 6.783 10.487 -5.519 1.00 0.91 C ATOM 352 O LEU A 557 5.826 11.260 -5.512 1.00 0.99 O ATOM 353 CB LEU A 557 7.190 10.189 -3.048 1.00 0.87 C ATOM 354 CG LEU A 557 7.741 9.360 -1.868 1.00 0.82 C ATOM 355 CD1 LEU A 557 7.912 10.245 -0.639 1.00 1.06 C ATOM 356 CD2 LEU A 557 6.829 8.188 -1.499 1.00 0.78 C ATOM 0 H LEU A 557 8.967 8.878 -4.233 1.00 0.63 H new ATOM 0 HA LEU A 557 6.050 8.848 -4.362 1.00 0.78 H new ATOM 0 HB2 LEU A 557 7.879 11.014 -3.232 1.00 0.87 H new ATOM 0 HB3 LEU A 557 6.242 10.629 -2.738 1.00 0.87 H new ATOM 0 HG LEU A 557 8.701 8.958 -2.191 1.00 0.82 H new ATOM 0 HD11 LEU A 557 8.301 9.650 0.187 1.00 1.06 H new ATOM 0 HD12 LEU A 557 8.610 11.051 -0.865 1.00 1.06 H new ATOM 0 HD13 LEU A 557 6.947 10.668 -0.358 1.00 1.06 H new ATOM 0 HD21 LEU A 557 7.263 7.638 -0.664 1.00 0.78 H new ATOM 0 HD22 LEU A 557 5.848 8.567 -1.213 1.00 0.78 H new ATOM 0 HD23 LEU A 557 6.726 7.523 -2.357 1.00 0.78 H new ATOM 368 N THR A 558 7.728 10.563 -6.460 1.00 0.98 N ATOM 369 CA THR A 558 7.904 11.702 -7.389 1.00 1.12 C ATOM 370 C THR A 558 6.711 12.008 -8.322 1.00 1.10 C ATOM 371 O THR A 558 6.569 13.155 -8.758 1.00 1.33 O ATOM 372 CB THR A 558 9.214 11.506 -8.178 1.00 1.30 C ATOM 373 OG1 THR A 558 9.604 12.689 -8.839 1.00 1.87 O ATOM 374 CG2 THR A 558 9.125 10.402 -9.234 1.00 3.02 C ATOM 0 H THR A 558 8.412 9.821 -6.607 1.00 0.98 H new ATOM 0 HA THR A 558 7.957 12.594 -6.765 1.00 1.12 H new ATOM 0 HB THR A 558 9.949 11.221 -7.425 1.00 1.30 H new ATOM 0 HG1 THR A 558 10.438 12.531 -9.328 1.00 1.87 H new ATOM 0 HG21 THR A 558 10.080 10.316 -9.752 1.00 3.02 H new ATOM 0 HG22 THR A 558 8.888 9.454 -8.750 1.00 3.02 H new ATOM 0 HG23 THR A 558 8.343 10.648 -9.952 1.00 3.02 H new ATOM 382 N LYS A 559 5.833 11.038 -8.631 1.00 0.98 N ATOM 383 CA LYS A 559 4.542 11.247 -9.338 1.00 0.97 C ATOM 384 C LYS A 559 3.297 10.706 -8.610 1.00 1.04 C ATOM 385 O LYS A 559 2.272 10.447 -9.240 1.00 1.24 O ATOM 386 CB LYS A 559 4.669 10.869 -10.832 1.00 1.24 C ATOM 387 CG LYS A 559 5.202 9.468 -11.198 1.00 1.71 C ATOM 388 CD LYS A 559 4.152 8.395 -11.532 1.00 1.96 C ATOM 389 CE LYS A 559 3.423 7.739 -10.349 1.00 1.72 C ATOM 390 NZ LYS A 559 2.305 6.908 -10.852 1.00 2.43 N ATOM 0 H LYS A 559 5.999 10.060 -8.393 1.00 0.98 H new ATOM 0 HA LYS A 559 4.335 12.317 -9.312 1.00 0.97 H new ATOM 0 HB2 LYS A 559 3.684 10.977 -11.285 1.00 1.24 H new ATOM 0 HB3 LYS A 559 5.320 11.604 -11.305 1.00 1.24 H new ATOM 0 HG2 LYS A 559 5.868 9.570 -12.055 1.00 1.71 H new ATOM 0 HG3 LYS A 559 5.806 9.106 -10.366 1.00 1.71 H new ATOM 0 HD2 LYS A 559 3.403 8.845 -12.184 1.00 1.96 H new ATOM 0 HD3 LYS A 559 4.642 7.609 -12.106 1.00 1.96 H new ATOM 0 HE2 LYS A 559 4.118 7.124 -9.777 1.00 1.72 H new ATOM 0 HE3 LYS A 559 3.044 8.505 -9.673 1.00 1.72 H new ATOM 0 HZ1 LYS A 559 1.605 6.773 -10.095 1.00 2.43 H new ATOM 0 HZ2 LYS A 559 1.854 7.384 -11.659 1.00 2.43 H new ATOM 0 HZ3 LYS A 559 2.670 5.983 -11.156 1.00 2.43 H new ATOM 404 N LEU A 560 3.401 10.489 -7.299 1.00 0.98 N ATOM 405 CA LEU A 560 2.453 9.768 -6.441 1.00 0.97 C ATOM 406 C LEU A 560 1.084 10.466 -6.321 1.00 0.99 C ATOM 407 O LEU A 560 0.958 11.670 -6.553 1.00 1.25 O ATOM 408 CB LEU A 560 3.140 9.628 -5.072 1.00 1.09 C ATOM 409 CG LEU A 560 2.402 8.794 -4.017 1.00 0.99 C ATOM 410 CD1 LEU A 560 2.063 7.419 -4.556 1.00 2.30 C ATOM 411 CD2 LEU A 560 3.332 8.477 -2.855 1.00 1.20 C ATOM 0 H LEU A 560 4.202 10.834 -6.770 1.00 0.98 H new ATOM 0 HA LEU A 560 2.220 8.797 -6.878 1.00 0.97 H new ATOM 0 HB2 LEU A 560 4.124 9.187 -5.228 1.00 1.09 H new ATOM 0 HB3 LEU A 560 3.299 10.627 -4.667 1.00 1.09 H new ATOM 0 HG LEU A 560 1.523 9.373 -3.734 1.00 0.99 H new ATOM 0 HD11 LEU A 560 1.540 6.847 -3.790 1.00 2.30 H new ATOM 0 HD12 LEU A 560 1.424 7.519 -5.433 1.00 2.30 H new ATOM 0 HD13 LEU A 560 2.981 6.900 -4.833 1.00 2.30 H new ATOM 0 HD21 LEU A 560 2.797 7.885 -2.112 1.00 1.20 H new ATOM 0 HD22 LEU A 560 4.191 7.913 -3.220 1.00 1.20 H new ATOM 0 HD23 LEU A 560 3.675 9.406 -2.400 1.00 1.20 H new ATOM 423 N LYS A 561 0.057 9.702 -5.942 1.00 0.80 N ATOM 424 CA LYS A 561 -1.342 10.135 -5.841 1.00 0.86 C ATOM 425 C LYS A 561 -2.008 9.645 -4.550 1.00 0.82 C ATOM 426 O LYS A 561 -1.568 8.658 -3.956 1.00 0.78 O ATOM 427 CB LYS A 561 -2.099 9.646 -7.087 1.00 1.13 C ATOM 428 CG LYS A 561 -3.225 10.601 -7.507 1.00 1.13 C ATOM 429 CD LYS A 561 -2.812 11.549 -8.640 1.00 1.63 C ATOM 430 CE LYS A 561 -1.681 12.502 -8.235 1.00 1.84 C ATOM 431 NZ LYS A 561 -1.352 13.435 -9.331 1.00 2.24 N ATOM 0 H LYS A 561 0.181 8.723 -5.686 1.00 0.80 H new ATOM 0 HA LYS A 561 -1.373 11.224 -5.798 1.00 0.86 H new ATOM 0 HB2 LYS A 561 -1.397 9.533 -7.913 1.00 1.13 H new ATOM 0 HB3 LYS A 561 -2.519 8.660 -6.889 1.00 1.13 H new ATOM 0 HG2 LYS A 561 -4.089 10.018 -7.825 1.00 1.13 H new ATOM 0 HG3 LYS A 561 -3.537 11.189 -6.644 1.00 1.13 H new ATOM 0 HD2 LYS A 561 -2.495 10.962 -9.502 1.00 1.63 H new ATOM 0 HD3 LYS A 561 -3.678 12.132 -8.953 1.00 1.63 H new ATOM 0 HE2 LYS A 561 -1.976 13.066 -7.350 1.00 1.84 H new ATOM 0 HE3 LYS A 561 -0.796 11.926 -7.966 1.00 1.84 H new ATOM 0 HZ1 LYS A 561 -0.584 14.068 -9.029 1.00 2.24 H new ATOM 0 HZ2 LYS A 561 -1.048 12.896 -10.167 1.00 2.24 H new ATOM 0 HZ3 LYS A 561 -2.192 14.000 -9.570 1.00 2.24 H new ATOM 445 N PHE A 562 -3.050 10.347 -4.099 1.00 0.99 N ATOM 446 CA PHE A 562 -3.869 9.960 -2.956 1.00 1.11 C ATOM 447 C PHE A 562 -5.385 10.036 -3.247 1.00 1.04 C ATOM 448 O PHE A 562 -5.843 10.781 -4.119 1.00 0.99 O ATOM 449 CB PHE A 562 -3.415 10.791 -1.744 1.00 1.30 C ATOM 450 CG PHE A 562 -4.064 12.149 -1.610 1.00 1.12 C ATOM 451 CD1 PHE A 562 -5.322 12.251 -0.991 1.00 1.72 C ATOM 452 CD2 PHE A 562 -3.431 13.296 -2.116 1.00 2.12 C ATOM 453 CE1 PHE A 562 -5.968 13.500 -0.918 1.00 1.66 C ATOM 454 CE2 PHE A 562 -4.070 14.546 -2.032 1.00 2.51 C ATOM 455 CZ PHE A 562 -5.345 14.644 -1.447 1.00 1.68 C ATOM 0 H PHE A 562 -3.352 11.220 -4.531 1.00 0.99 H new ATOM 0 HA PHE A 562 -3.716 8.905 -2.729 1.00 1.11 H new ATOM 0 HB2 PHE A 562 -3.616 10.220 -0.838 1.00 1.30 H new ATOM 0 HB3 PHE A 562 -2.335 10.927 -1.802 1.00 1.30 H new ATOM 0 HD1 PHE A 562 -5.792 11.373 -0.572 1.00 1.72 H new ATOM 0 HD2 PHE A 562 -2.454 13.218 -2.569 1.00 2.12 H new ATOM 0 HE1 PHE A 562 -6.941 13.579 -0.456 1.00 1.66 H new ATOM 0 HE2 PHE A 562 -3.582 15.430 -2.416 1.00 2.51 H new ATOM 0 HZ PHE A 562 -5.846 15.600 -1.404 1.00 1.68 H new ATOM 465 N GLU A 563 -6.172 9.259 -2.501 1.00 1.08 N ATOM 466 CA GLU A 563 -7.627 9.094 -2.646 1.00 1.09 C ATOM 467 C GLU A 563 -8.306 9.043 -1.265 1.00 1.07 C ATOM 468 O GLU A 563 -7.722 8.544 -0.304 1.00 1.21 O ATOM 469 CB GLU A 563 -7.896 7.835 -3.497 1.00 1.14 C ATOM 470 CG GLU A 563 -9.385 7.507 -3.709 1.00 1.77 C ATOM 471 CD GLU A 563 -9.632 6.811 -5.055 1.00 2.10 C ATOM 472 OE1 GLU A 563 -9.432 5.581 -5.200 1.00 2.84 O ATOM 473 OE2 GLU A 563 -10.016 7.517 -6.022 1.00 2.79 O ATOM 0 H GLU A 563 -5.796 8.696 -1.738 1.00 1.08 H new ATOM 0 HA GLU A 563 -8.061 9.950 -3.162 1.00 1.09 H new ATOM 0 HB2 GLU A 563 -7.424 7.964 -4.471 1.00 1.14 H new ATOM 0 HB3 GLU A 563 -7.414 6.981 -3.020 1.00 1.14 H new ATOM 0 HG2 GLU A 563 -9.734 6.866 -2.899 1.00 1.77 H new ATOM 0 HG3 GLU A 563 -9.969 8.426 -3.663 1.00 1.77 H new ATOM 480 N VAL A 564 -9.524 9.579 -1.135 1.00 0.92 N ATOM 481 CA VAL A 564 -10.221 9.698 0.166 1.00 0.79 C ATOM 482 C VAL A 564 -11.564 8.971 0.190 1.00 0.70 C ATOM 483 O VAL A 564 -12.338 9.034 -0.768 1.00 0.74 O ATOM 484 CB VAL A 564 -10.410 11.168 0.585 1.00 0.80 C ATOM 485 CG1 VAL A 564 -10.953 11.325 2.001 1.00 0.86 C ATOM 486 CG2 VAL A 564 -9.107 11.972 0.519 1.00 0.92 C ATOM 0 H VAL A 564 -10.060 9.944 -1.922 1.00 0.92 H new ATOM 0 HA VAL A 564 -9.569 9.210 0.891 1.00 0.79 H new ATOM 0 HB VAL A 564 -11.133 11.551 -0.135 1.00 0.80 H new ATOM 0 HG11 VAL A 564 -11.063 12.384 2.233 1.00 0.86 H new ATOM 0 HG12 VAL A 564 -11.924 10.835 2.075 1.00 0.86 H new ATOM 0 HG13 VAL A 564 -10.261 10.868 2.709 1.00 0.86 H new ATOM 0 HG21 VAL A 564 -9.298 13.001 0.825 1.00 0.92 H new ATOM 0 HG22 VAL A 564 -8.370 11.526 1.187 1.00 0.92 H new ATOM 0 HG23 VAL A 564 -8.725 11.962 -0.502 1.00 0.92 H new ATOM 496 N PHE A 565 -11.871 8.354 1.332 1.00 0.68 N ATOM 497 CA PHE A 565 -13.182 7.769 1.645 1.00 0.70 C ATOM 498 C PHE A 565 -13.803 8.403 2.898 1.00 0.68 C ATOM 499 O PHE A 565 -13.095 8.728 3.847 1.00 0.69 O ATOM 500 CB PHE A 565 -13.054 6.248 1.797 1.00 0.73 C ATOM 501 CG PHE A 565 -12.741 5.516 0.505 1.00 0.85 C ATOM 502 CD1 PHE A 565 -11.407 5.380 0.068 1.00 1.65 C ATOM 503 CD2 PHE A 565 -13.783 4.943 -0.250 1.00 2.42 C ATOM 504 CE1 PHE A 565 -11.121 4.668 -1.110 1.00 1.54 C ATOM 505 CE2 PHE A 565 -13.495 4.227 -1.425 1.00 2.66 C ATOM 506 CZ PHE A 565 -12.163 4.082 -1.849 1.00 1.25 C ATOM 0 H PHE A 565 -11.197 8.243 2.089 1.00 0.68 H new ATOM 0 HA PHE A 565 -13.857 7.982 0.816 1.00 0.70 H new ATOM 0 HB2 PHE A 565 -12.270 6.032 2.523 1.00 0.73 H new ATOM 0 HB3 PHE A 565 -13.985 5.856 2.207 1.00 0.73 H new ATOM 0 HD1 PHE A 565 -10.604 5.823 0.639 1.00 1.65 H new ATOM 0 HD2 PHE A 565 -14.807 5.054 0.075 1.00 2.42 H new ATOM 0 HE1 PHE A 565 -10.100 4.571 -1.447 1.00 1.54 H new ATOM 0 HE2 PHE A 565 -14.296 3.789 -2.001 1.00 2.66 H new ATOM 0 HZ PHE A 565 -11.940 3.520 -2.744 1.00 1.25 H new ATOM 516 N GLN A 566 -15.126 8.571 2.907 1.00 0.74 N ATOM 517 CA GLN A 566 -15.913 9.070 4.045 1.00 0.82 C ATOM 518 C GLN A 566 -16.305 7.930 5.026 1.00 0.91 C ATOM 519 O GLN A 566 -16.200 6.750 4.673 1.00 0.97 O ATOM 520 CB GLN A 566 -17.162 9.776 3.476 1.00 0.96 C ATOM 521 CG GLN A 566 -16.982 11.240 3.086 1.00 1.35 C ATOM 522 CD GLN A 566 -16.112 11.414 1.864 1.00 1.16 C ATOM 523 OE1 GLN A 566 -16.547 11.243 0.732 1.00 2.39 O ATOM 524 NE2 GLN A 566 -14.864 11.756 2.046 1.00 1.05 N ATOM 0 H GLN A 566 -15.704 8.357 2.094 1.00 0.74 H new ATOM 0 HA GLN A 566 -15.314 9.770 4.627 1.00 0.82 H new ATOM 0 HB2 GLN A 566 -17.498 9.225 2.598 1.00 0.96 H new ATOM 0 HB3 GLN A 566 -17.960 9.713 4.216 1.00 0.96 H new ATOM 0 HG2 GLN A 566 -17.959 11.685 2.898 1.00 1.35 H new ATOM 0 HG3 GLN A 566 -16.541 11.783 3.922 1.00 1.35 H new ATOM 0 HE21 GLN A 566 -14.506 11.897 2.991 1.00 1.05 H new ATOM 0 HE22 GLN A 566 -14.247 11.882 1.243 1.00 1.05 H new ATOM 533 N PRO A 567 -16.784 8.243 6.252 1.00 0.99 N ATOM 534 CA PRO A 567 -17.090 7.235 7.274 1.00 1.09 C ATOM 535 C PRO A 567 -18.136 6.195 6.832 1.00 1.19 C ATOM 536 O PRO A 567 -19.229 6.547 6.376 1.00 1.27 O ATOM 537 CB PRO A 567 -17.583 8.011 8.505 1.00 1.18 C ATOM 538 CG PRO A 567 -17.079 9.440 8.301 1.00 1.13 C ATOM 539 CD PRO A 567 -17.010 9.583 6.786 1.00 1.02 C ATOM 0 HA PRO A 567 -16.194 6.650 7.480 1.00 1.09 H new ATOM 0 HB2 PRO A 567 -18.670 7.983 8.580 1.00 1.18 H new ATOM 0 HB3 PRO A 567 -17.189 7.581 9.426 1.00 1.18 H new ATOM 0 HG2 PRO A 567 -17.757 10.171 8.742 1.00 1.13 H new ATOM 0 HG3 PRO A 567 -16.103 9.591 8.763 1.00 1.13 H new ATOM 0 HD2 PRO A 567 -17.935 10.006 6.394 1.00 1.02 H new ATOM 0 HD3 PRO A 567 -16.204 10.257 6.496 1.00 1.02 H new ATOM 547 N GLY A 568 -17.824 4.908 7.004 1.00 1.24 N ATOM 548 CA GLY A 568 -18.706 3.763 6.780 1.00 1.40 C ATOM 549 C GLY A 568 -18.455 3.047 5.452 1.00 1.46 C ATOM 550 O GLY A 568 -18.917 1.916 5.279 1.00 1.75 O ATOM 0 H GLY A 568 -16.897 4.623 7.321 1.00 1.24 H new ATOM 0 HA2 GLY A 568 -18.579 3.052 7.596 1.00 1.40 H new ATOM 0 HA3 GLY A 568 -19.742 4.101 6.811 1.00 1.40 H new ATOM 554 N ASP A 569 -17.713 3.666 4.530 1.00 1.24 N ATOM 555 CA ASP A 569 -17.657 3.258 3.135 1.00 1.22 C ATOM 556 C ASP A 569 -16.667 2.105 2.901 1.00 1.13 C ATOM 557 O ASP A 569 -15.523 2.144 3.362 1.00 1.01 O ATOM 558 CB ASP A 569 -17.381 4.491 2.244 1.00 1.18 C ATOM 559 CG ASP A 569 -17.851 4.361 0.787 1.00 1.27 C ATOM 560 OD1 ASP A 569 -18.451 3.329 0.401 1.00 2.69 O ATOM 561 OD2 ASP A 569 -17.677 5.331 0.008 1.00 1.67 O ATOM 0 H ASP A 569 -17.128 4.475 4.740 1.00 1.24 H new ATOM 0 HA ASP A 569 -18.627 2.852 2.850 1.00 1.22 H new ATOM 0 HB2 ASP A 569 -17.867 5.358 2.690 1.00 1.18 H new ATOM 0 HB3 ASP A 569 -16.309 4.690 2.247 1.00 1.18 H new ATOM 566 N TYR A 570 -17.108 1.068 2.188 1.00 1.27 N ATOM 567 CA TYR A 570 -16.265 -0.070 1.782 1.00 1.23 C ATOM 568 C TYR A 570 -15.224 0.373 0.737 1.00 1.15 C ATOM 569 O TYR A 570 -15.575 0.766 -0.382 1.00 1.29 O ATOM 570 CB TYR A 570 -17.123 -1.243 1.271 1.00 1.45 C ATOM 571 CG TYR A 570 -17.879 -2.018 2.345 1.00 1.59 C ATOM 572 CD1 TYR A 570 -17.279 -3.124 2.986 1.00 2.60 C ATOM 573 CD2 TYR A 570 -19.200 -1.661 2.674 1.00 2.24 C ATOM 574 CE1 TYR A 570 -17.996 -3.866 3.950 1.00 2.76 C ATOM 575 CE2 TYR A 570 -19.917 -2.396 3.638 1.00 2.33 C ATOM 576 CZ TYR A 570 -19.322 -3.502 4.279 1.00 1.96 C ATOM 577 OH TYR A 570 -20.043 -4.204 5.198 1.00 2.16 O ATOM 0 H TYR A 570 -18.074 0.989 1.869 1.00 1.27 H new ATOM 0 HA TYR A 570 -15.724 -0.426 2.659 1.00 1.23 H new ATOM 0 HB2 TYR A 570 -17.844 -0.857 0.551 1.00 1.45 H new ATOM 0 HB3 TYR A 570 -16.476 -1.937 0.734 1.00 1.45 H new ATOM 0 HD1 TYR A 570 -16.266 -3.404 2.738 1.00 2.60 H new ATOM 0 HD2 TYR A 570 -19.666 -0.819 2.185 1.00 2.24 H new ATOM 0 HE1 TYR A 570 -17.532 -4.711 4.436 1.00 2.76 H new ATOM 0 HE2 TYR A 570 -20.928 -2.111 3.888 1.00 2.33 H new ATOM 0 HH TYR A 570 -20.932 -3.803 5.291 1.00 2.16 H new ATOM 587 N ILE A 571 -13.935 0.310 1.094 1.00 1.01 N ATOM 588 CA ILE A 571 -12.849 0.954 0.333 1.00 0.98 C ATOM 589 C ILE A 571 -12.343 0.134 -0.867 1.00 1.06 C ATOM 590 O ILE A 571 -11.811 0.707 -1.815 1.00 1.17 O ATOM 591 CB ILE A 571 -11.671 1.323 1.259 1.00 0.88 C ATOM 592 CG1 ILE A 571 -11.082 0.093 1.970 1.00 0.88 C ATOM 593 CG2 ILE A 571 -12.043 2.358 2.331 1.00 0.87 C ATOM 594 CD1 ILE A 571 -9.629 0.310 2.350 1.00 0.84 C ATOM 0 H ILE A 571 -13.611 -0.190 1.922 1.00 1.01 H new ATOM 0 HA ILE A 571 -13.290 1.860 -0.084 1.00 0.98 H new ATOM 0 HB ILE A 571 -10.928 1.758 0.591 1.00 0.88 H new ATOM 0 HG12 ILE A 571 -11.664 -0.124 2.865 1.00 0.88 H new ATOM 0 HG13 ILE A 571 -11.162 -0.777 1.319 1.00 0.88 H new ATOM 0 HG21 ILE A 571 -11.170 2.573 2.948 1.00 0.87 H new ATOM 0 HG22 ILE A 571 -12.382 3.275 1.849 1.00 0.87 H new ATOM 0 HG23 ILE A 571 -12.842 1.961 2.958 1.00 0.87 H new ATOM 0 HD11 ILE A 571 -9.247 -0.580 2.850 1.00 0.84 H new ATOM 0 HD12 ILE A 571 -9.043 0.501 1.451 1.00 0.84 H new ATOM 0 HD13 ILE A 571 -9.552 1.165 3.022 1.00 0.84 H new ATOM 606 N ILE A 572 -12.467 -1.198 -0.817 1.00 1.05 N ATOM 607 CA ILE A 572 -11.837 -2.158 -1.732 1.00 1.10 C ATOM 608 C ILE A 572 -12.846 -3.206 -2.219 1.00 1.47 C ATOM 609 O ILE A 572 -13.544 -3.818 -1.403 1.00 1.89 O ATOM 610 CB ILE A 572 -10.618 -2.813 -1.028 1.00 1.09 C ATOM 611 CG1 ILE A 572 -9.464 -1.789 -1.016 1.00 1.41 C ATOM 612 CG2 ILE A 572 -10.160 -4.124 -1.684 1.00 1.22 C ATOM 613 CD1 ILE A 572 -8.162 -2.232 -0.333 1.00 1.23 C ATOM 0 H ILE A 572 -13.035 -1.657 -0.105 1.00 1.05 H new ATOM 0 HA ILE A 572 -11.485 -1.631 -2.619 1.00 1.10 H new ATOM 0 HB ILE A 572 -10.921 -3.082 -0.016 1.00 1.09 H new ATOM 0 HG12 ILE A 572 -9.234 -1.522 -2.047 1.00 1.41 H new ATOM 0 HG13 ILE A 572 -9.817 -0.883 -0.523 1.00 1.41 H new ATOM 0 HG21 ILE A 572 -9.305 -4.524 -1.139 1.00 1.22 H new ATOM 0 HG22 ILE A 572 -10.976 -4.847 -1.661 1.00 1.22 H new ATOM 0 HG23 ILE A 572 -9.874 -3.933 -2.718 1.00 1.22 H new ATOM 0 HD11 ILE A 572 -7.429 -1.427 -0.390 1.00 1.23 H new ATOM 0 HD12 ILE A 572 -8.361 -2.468 0.712 1.00 1.23 H new ATOM 0 HD13 ILE A 572 -7.770 -3.116 -0.836 1.00 1.23 H new ATOM 625 N ARG A 573 -12.848 -3.473 -3.532 1.00 1.64 N ATOM 626 CA ARG A 573 -13.516 -4.624 -4.159 1.00 2.07 C ATOM 627 C ARG A 573 -12.705 -5.103 -5.370 1.00 1.78 C ATOM 628 O ARG A 573 -12.727 -4.476 -6.431 1.00 2.39 O ATOM 629 CB ARG A 573 -14.976 -4.254 -4.502 1.00 3.05 C ATOM 630 CG ARG A 573 -15.930 -5.461 -4.517 1.00 4.20 C ATOM 631 CD ARG A 573 -15.778 -6.418 -5.708 1.00 4.69 C ATOM 632 NE ARG A 573 -16.320 -5.862 -6.965 1.00 5.34 N ATOM 633 CZ ARG A 573 -16.254 -6.439 -8.153 1.00 6.47 C ATOM 634 NH1 ARG A 573 -15.513 -7.484 -8.363 1.00 7.09 N ATOM 635 NH2 ARG A 573 -16.943 -5.996 -9.165 1.00 7.47 N ATOM 0 H ARG A 573 -12.371 -2.877 -4.208 1.00 1.64 H new ATOM 0 HA ARG A 573 -13.560 -5.464 -3.466 1.00 2.07 H new ATOM 0 HB2 ARG A 573 -15.337 -3.525 -3.777 1.00 3.05 H new ATOM 0 HB3 ARG A 573 -15.000 -3.771 -5.479 1.00 3.05 H new ATOM 0 HG2 ARG A 573 -15.782 -6.028 -3.598 1.00 4.20 H new ATOM 0 HG3 ARG A 573 -16.955 -5.090 -4.501 1.00 4.20 H new ATOM 0 HD2 ARG A 573 -14.723 -6.653 -5.846 1.00 4.69 H new ATOM 0 HD3 ARG A 573 -16.287 -7.355 -5.482 1.00 4.69 H new ATOM 0 HE ARG A 573 -16.785 -4.956 -6.912 1.00 5.34 H new ATOM 0 HH11 ARG A 573 -14.963 -7.880 -7.601 1.00 7.09 H new ATOM 0 HH12 ARG A 573 -15.481 -7.909 -9.290 1.00 7.09 H new ATOM 0 HH21 ARG A 573 -17.552 -5.185 -9.052 1.00 7.47 H new ATOM 0 HH22 ARG A 573 -16.874 -6.459 -10.071 1.00 7.47 H new ATOM 649 N GLU A 574 -11.999 -6.218 -5.195 1.00 1.77 N ATOM 650 CA GLU A 574 -11.176 -6.858 -6.228 1.00 1.53 C ATOM 651 C GLU A 574 -12.033 -7.511 -7.322 1.00 2.25 C ATOM 652 O GLU A 574 -13.106 -8.063 -7.059 1.00 3.39 O ATOM 653 CB GLU A 574 -10.229 -7.886 -5.576 1.00 2.50 C ATOM 654 CG GLU A 574 -9.365 -8.732 -6.534 1.00 2.72 C ATOM 655 CD GLU A 574 -8.393 -7.895 -7.374 1.00 3.56 C ATOM 656 OE1 GLU A 574 -8.859 -7.123 -8.243 1.00 4.17 O ATOM 657 OE2 GLU A 574 -7.163 -8.006 -7.188 1.00 4.53 O ATOM 0 H GLU A 574 -11.981 -6.718 -4.306 1.00 1.77 H new ATOM 0 HA GLU A 574 -10.581 -6.086 -6.716 1.00 1.53 H new ATOM 0 HB2 GLU A 574 -9.563 -7.353 -4.897 1.00 2.50 H new ATOM 0 HB3 GLU A 574 -10.828 -8.564 -4.968 1.00 2.50 H new ATOM 0 HG2 GLU A 574 -8.798 -9.460 -5.954 1.00 2.72 H new ATOM 0 HG3 GLU A 574 -10.019 -9.295 -7.201 1.00 2.72 H new ATOM 664 N GLY A 575 -11.517 -7.501 -8.548 1.00 2.24 N ATOM 665 CA GLY A 575 -12.137 -8.089 -9.728 1.00 3.37 C ATOM 666 C GLY A 575 -11.189 -8.380 -10.897 1.00 3.24 C ATOM 667 O GLY A 575 -11.654 -8.986 -11.861 1.00 4.15 O ATOM 0 H GLY A 575 -10.618 -7.064 -8.753 1.00 2.24 H new ATOM 0 HA2 GLY A 575 -12.622 -9.020 -9.436 1.00 3.37 H new ATOM 0 HA3 GLY A 575 -12.921 -7.417 -10.078 1.00 3.37 H new ATOM 671 N THR A 576 -9.900 -8.004 -10.866 1.00 2.27 N ATOM 672 CA THR A 576 -9.015 -8.212 -12.031 1.00 2.33 C ATOM 673 C THR A 576 -7.522 -8.243 -11.691 1.00 1.98 C ATOM 674 O THR A 576 -7.071 -7.773 -10.647 1.00 1.96 O ATOM 675 CB THR A 576 -9.297 -7.185 -13.145 1.00 2.72 C ATOM 676 OG1 THR A 576 -8.636 -7.587 -14.324 1.00 2.97 O ATOM 677 CG2 THR A 576 -8.846 -5.771 -12.803 1.00 2.89 C ATOM 0 H THR A 576 -9.451 -7.562 -10.064 1.00 2.27 H new ATOM 0 HA THR A 576 -9.260 -9.210 -12.396 1.00 2.33 H new ATOM 0 HB THR A 576 -10.379 -7.159 -13.272 1.00 2.72 H new ATOM 0 HG1 THR A 576 -8.814 -6.938 -15.036 1.00 2.97 H new ATOM 0 HG21 THR A 576 -9.077 -5.104 -13.634 1.00 2.89 H new ATOM 0 HG22 THR A 576 -9.366 -5.430 -11.908 1.00 2.89 H new ATOM 0 HG23 THR A 576 -7.771 -5.766 -12.622 1.00 2.89 H new ATOM 685 N ILE A 577 -6.746 -8.819 -12.604 1.00 1.98 N ATOM 686 CA ILE A 577 -5.306 -9.051 -12.494 1.00 1.90 C ATOM 687 C ILE A 577 -4.520 -7.733 -12.344 1.00 1.72 C ATOM 688 O ILE A 577 -4.856 -6.713 -12.954 1.00 1.88 O ATOM 689 CB ILE A 577 -4.855 -9.915 -13.706 1.00 2.17 C ATOM 690 CG1 ILE A 577 -5.085 -11.424 -13.446 1.00 2.26 C ATOM 691 CG2 ILE A 577 -3.377 -9.732 -14.084 1.00 2.46 C ATOM 692 CD1 ILE A 577 -6.548 -11.869 -13.518 1.00 2.47 C ATOM 0 H ILE A 577 -7.124 -9.156 -13.490 1.00 1.98 H new ATOM 0 HA ILE A 577 -5.083 -9.603 -11.581 1.00 1.90 H new ATOM 0 HB ILE A 577 -5.472 -9.562 -14.532 1.00 2.17 H new ATOM 0 HG12 ILE A 577 -4.509 -11.996 -14.173 1.00 2.26 H new ATOM 0 HG13 ILE A 577 -4.691 -11.673 -12.461 1.00 2.26 H new ATOM 0 HG21 ILE A 577 -3.138 -10.367 -14.937 1.00 2.46 H new ATOM 0 HG22 ILE A 577 -3.195 -8.690 -14.345 1.00 2.46 H new ATOM 0 HG23 ILE A 577 -2.748 -10.009 -13.238 1.00 2.46 H new ATOM 0 HD11 ILE A 577 -6.613 -12.939 -13.323 1.00 2.47 H new ATOM 0 HD12 ILE A 577 -7.130 -11.328 -12.772 1.00 2.47 H new ATOM 0 HD13 ILE A 577 -6.945 -11.656 -14.511 1.00 2.47 H new ATOM 704 N GLY A 578 -3.423 -7.783 -11.582 1.00 1.71 N ATOM 705 CA GLY A 578 -2.382 -6.752 -11.538 1.00 1.75 C ATOM 706 C GLY A 578 -2.502 -5.770 -10.371 1.00 1.59 C ATOM 707 O GLY A 578 -2.233 -4.581 -10.567 1.00 1.71 O ATOM 0 H GLY A 578 -3.229 -8.567 -10.959 1.00 1.71 H new ATOM 0 HA2 GLY A 578 -1.409 -7.240 -11.486 1.00 1.75 H new ATOM 0 HA3 GLY A 578 -2.407 -6.190 -12.472 1.00 1.75 H new ATOM 711 N LYS A 579 -2.968 -6.217 -9.194 1.00 1.70 N ATOM 712 CA LYS A 579 -3.365 -5.320 -8.093 1.00 1.89 C ATOM 713 C LYS A 579 -2.201 -4.457 -7.568 1.00 1.63 C ATOM 714 O LYS A 579 -1.174 -4.983 -7.145 1.00 1.76 O ATOM 715 CB LYS A 579 -4.044 -6.122 -6.961 1.00 2.50 C ATOM 716 CG LYS A 579 -4.842 -5.248 -5.973 1.00 3.24 C ATOM 717 CD LYS A 579 -6.305 -4.919 -6.337 1.00 2.64 C ATOM 718 CE LYS A 579 -6.573 -4.458 -7.775 1.00 3.35 C ATOM 719 NZ LYS A 579 -6.661 -5.591 -8.728 1.00 4.40 N ATOM 0 H LYS A 579 -3.081 -7.207 -8.977 1.00 1.70 H new ATOM 0 HA LYS A 579 -4.091 -4.615 -8.499 1.00 1.89 H new ATOM 0 HB2 LYS A 579 -4.714 -6.860 -7.402 1.00 2.50 H new ATOM 0 HB3 LYS A 579 -3.281 -6.673 -6.411 1.00 2.50 H new ATOM 0 HG2 LYS A 579 -4.840 -5.748 -5.004 1.00 3.24 H new ATOM 0 HG3 LYS A 579 -4.306 -4.307 -5.847 1.00 3.24 H new ATOM 0 HD2 LYS A 579 -6.910 -5.805 -6.146 1.00 2.64 H new ATOM 0 HD3 LYS A 579 -6.657 -4.141 -5.660 1.00 2.64 H new ATOM 0 HE2 LYS A 579 -7.503 -3.890 -7.804 1.00 3.35 H new ATOM 0 HE3 LYS A 579 -5.778 -3.783 -8.091 1.00 3.35 H new ATOM 0 HZ1 LYS A 579 -5.983 -5.446 -9.503 1.00 4.40 H new ATOM 0 HZ2 LYS A 579 -6.437 -6.478 -8.234 1.00 4.40 H new ATOM 0 HZ3 LYS A 579 -7.625 -5.644 -9.116 1.00 4.40 H new ATOM 733 N LYS A 580 -2.385 -3.129 -7.559 1.00 1.45 N ATOM 734 CA LYS A 580 -1.394 -2.145 -7.079 1.00 1.41 C ATOM 735 C LYS A 580 -1.485 -1.858 -5.572 1.00 1.15 C ATOM 736 O LYS A 580 -2.359 -2.370 -4.875 1.00 1.20 O ATOM 737 CB LYS A 580 -1.459 -0.869 -7.941 1.00 1.73 C ATOM 738 CG LYS A 580 -2.675 0.041 -7.691 1.00 1.61 C ATOM 739 CD LYS A 580 -2.606 1.274 -8.606 1.00 2.07 C ATOM 740 CE LYS A 580 -3.856 2.149 -8.461 1.00 2.77 C ATOM 741 NZ LYS A 580 -3.779 3.352 -9.325 1.00 3.28 N ATOM 0 H LYS A 580 -3.246 -2.695 -7.892 1.00 1.45 H new ATOM 0 HA LYS A 580 -0.407 -2.590 -7.202 1.00 1.41 H new ATOM 0 HB2 LYS A 580 -0.552 -0.289 -7.769 1.00 1.73 H new ATOM 0 HB3 LYS A 580 -1.456 -1.161 -8.991 1.00 1.73 H new ATOM 0 HG2 LYS A 580 -3.597 -0.510 -7.878 1.00 1.61 H new ATOM 0 HG3 LYS A 580 -2.697 0.353 -6.647 1.00 1.61 H new ATOM 0 HD2 LYS A 580 -1.720 1.860 -8.363 1.00 2.07 H new ATOM 0 HD3 LYS A 580 -2.502 0.954 -9.643 1.00 2.07 H new ATOM 0 HE2 LYS A 580 -4.741 1.568 -8.722 1.00 2.77 H new ATOM 0 HE3 LYS A 580 -3.970 2.453 -7.421 1.00 2.77 H new ATOM 0 HZ1 LYS A 580 -4.640 3.923 -9.203 1.00 3.28 H new ATOM 0 HZ2 LYS A 580 -2.948 3.918 -9.059 1.00 3.28 H new ATOM 0 HZ3 LYS A 580 -3.695 3.060 -10.320 1.00 3.28 H new ATOM 755 N MET A 581 -0.575 -1.022 -5.065 1.00 1.05 N ATOM 756 CA MET A 581 -0.481 -0.694 -3.640 1.00 1.05 C ATOM 757 C MET A 581 -1.389 0.482 -3.269 1.00 1.00 C ATOM 758 O MET A 581 -1.279 1.574 -3.830 1.00 0.99 O ATOM 759 CB MET A 581 0.978 -0.375 -3.261 1.00 1.25 C ATOM 760 CG MET A 581 1.753 -1.607 -2.780 1.00 2.15 C ATOM 761 SD MET A 581 1.220 -2.314 -1.188 1.00 2.23 S ATOM 762 CE MET A 581 1.453 -0.904 -0.061 1.00 1.57 C ATOM 0 H MET A 581 0.124 -0.549 -5.638 1.00 1.05 H new ATOM 0 HA MET A 581 -0.817 -1.565 -3.078 1.00 1.05 H new ATOM 0 HB2 MET A 581 1.487 0.054 -4.124 1.00 1.25 H new ATOM 0 HB3 MET A 581 0.987 0.382 -2.477 1.00 1.25 H new ATOM 0 HG2 MET A 581 1.675 -2.381 -3.543 1.00 2.15 H new ATOM 0 HG3 MET A 581 2.807 -1.341 -2.702 1.00 2.15 H new ATOM 0 HE1 MET A 581 1.709 -1.271 0.933 1.00 1.57 H new ATOM 0 HE2 MET A 581 2.259 -0.271 -0.432 1.00 1.57 H new ATOM 0 HE3 MET A 581 0.531 -0.325 -0.008 1.00 1.57 H new ATOM 772 N TYR A 582 -2.218 0.265 -2.247 1.00 1.05 N ATOM 773 CA TYR A 582 -2.961 1.304 -1.536 1.00 1.03 C ATOM 774 C TYR A 582 -2.617 1.216 -0.041 1.00 1.03 C ATOM 775 O TYR A 582 -2.507 0.125 0.521 1.00 1.10 O ATOM 776 CB TYR A 582 -4.474 1.166 -1.772 1.00 1.13 C ATOM 777 CG TYR A 582 -4.984 1.519 -3.162 1.00 1.36 C ATOM 778 CD1 TYR A 582 -4.924 0.578 -4.209 1.00 2.18 C ATOM 779 CD2 TYR A 582 -5.611 2.765 -3.380 1.00 2.52 C ATOM 780 CE1 TYR A 582 -5.495 0.876 -5.462 1.00 2.33 C ATOM 781 CE2 TYR A 582 -6.193 3.061 -4.629 1.00 3.03 C ATOM 782 CZ TYR A 582 -6.136 2.115 -5.672 1.00 2.31 C ATOM 783 OH TYR A 582 -6.699 2.389 -6.880 1.00 2.87 O ATOM 0 H TYR A 582 -2.396 -0.670 -1.880 1.00 1.05 H new ATOM 0 HA TYR A 582 -2.673 2.284 -1.917 1.00 1.03 H new ATOM 0 HB2 TYR A 582 -4.760 0.136 -1.556 1.00 1.13 H new ATOM 0 HB3 TYR A 582 -4.990 1.798 -1.049 1.00 1.13 H new ATOM 0 HD1 TYR A 582 -4.439 -0.374 -4.051 1.00 2.18 H new ATOM 0 HD2 TYR A 582 -5.645 3.495 -2.585 1.00 2.52 H new ATOM 0 HE1 TYR A 582 -5.442 0.154 -6.264 1.00 2.33 H new ATOM 0 HE2 TYR A 582 -6.682 4.011 -4.787 1.00 3.03 H new ATOM 0 HH TYR A 582 -7.100 3.283 -6.859 1.00 2.87 H new ATOM 793 N PHE A 583 -2.431 2.352 0.629 1.00 0.98 N ATOM 794 CA PHE A 583 -2.043 2.358 2.045 1.00 1.01 C ATOM 795 C PHE A 583 -2.673 3.500 2.825 1.00 0.95 C ATOM 796 O PHE A 583 -3.221 4.425 2.224 1.00 0.93 O ATOM 797 CB PHE A 583 -0.513 2.214 2.200 1.00 1.05 C ATOM 798 CG PHE A 583 0.473 3.382 2.192 1.00 0.98 C ATOM 799 CD1 PHE A 583 0.128 4.752 2.264 1.00 1.99 C ATOM 800 CD2 PHE A 583 1.834 3.031 2.212 1.00 2.10 C ATOM 801 CE1 PHE A 583 1.127 5.738 2.357 1.00 2.48 C ATOM 802 CE2 PHE A 583 2.831 4.016 2.277 1.00 2.44 C ATOM 803 CZ PHE A 583 2.482 5.374 2.341 1.00 2.15 C ATOM 0 H PHE A 583 -2.541 3.279 0.219 1.00 0.98 H new ATOM 0 HA PHE A 583 -2.465 1.472 2.520 1.00 1.01 H new ATOM 0 HB2 PHE A 583 -0.353 1.691 3.143 1.00 1.05 H new ATOM 0 HB3 PHE A 583 -0.191 1.542 1.404 1.00 1.05 H new ATOM 0 HD1 PHE A 583 -0.912 5.044 2.247 1.00 1.99 H new ATOM 0 HD2 PHE A 583 2.116 1.989 2.177 1.00 2.10 H new ATOM 0 HE1 PHE A 583 0.850 6.779 2.441 1.00 2.48 H new ATOM 0 HE2 PHE A 583 3.872 3.728 2.278 1.00 2.44 H new ATOM 0 HZ PHE A 583 3.250 6.132 2.378 1.00 2.15 H new ATOM 813 N ILE A 584 -2.608 3.452 4.154 1.00 0.97 N ATOM 814 CA ILE A 584 -3.310 4.417 5.002 1.00 0.93 C ATOM 815 C ILE A 584 -2.409 5.626 5.259 1.00 1.10 C ATOM 816 O ILE A 584 -1.401 5.518 5.962 1.00 1.29 O ATOM 817 CB ILE A 584 -3.876 3.741 6.270 1.00 0.92 C ATOM 818 CG1 ILE A 584 -4.621 2.455 5.829 1.00 0.83 C ATOM 819 CG2 ILE A 584 -4.870 4.733 6.914 1.00 0.91 C ATOM 820 CD1 ILE A 584 -5.385 1.726 6.919 1.00 0.81 C ATOM 0 H ILE A 584 -2.074 2.752 4.670 1.00 0.97 H new ATOM 0 HA ILE A 584 -4.191 4.801 4.488 1.00 0.93 H new ATOM 0 HB ILE A 584 -3.093 3.482 6.982 1.00 0.92 H new ATOM 0 HG12 ILE A 584 -5.320 2.717 5.035 1.00 0.83 H new ATOM 0 HG13 ILE A 584 -3.894 1.766 5.399 1.00 0.83 H new ATOM 0 HG21 ILE A 584 -5.293 4.290 7.816 1.00 0.91 H new ATOM 0 HG22 ILE A 584 -4.348 5.655 7.172 1.00 0.91 H new ATOM 0 HG23 ILE A 584 -5.671 4.955 6.209 1.00 0.91 H new ATOM 0 HD11 ILE A 584 -5.866 0.843 6.498 1.00 0.81 H new ATOM 0 HD12 ILE A 584 -4.695 1.422 7.706 1.00 0.81 H new ATOM 0 HD13 ILE A 584 -6.143 2.388 7.337 1.00 0.81 H new ATOM 832 N GLN A 585 -2.755 6.760 4.639 1.00 1.17 N ATOM 833 CA GLN A 585 -1.988 8.003 4.674 1.00 1.46 C ATOM 834 C GLN A 585 -2.419 8.903 5.851 1.00 1.51 C ATOM 835 O GLN A 585 -1.551 9.396 6.569 1.00 1.74 O ATOM 836 CB GLN A 585 -2.085 8.632 3.268 1.00 1.78 C ATOM 837 CG GLN A 585 -1.393 9.981 3.045 1.00 2.04 C ATOM 838 CD GLN A 585 0.028 10.048 3.589 1.00 3.14 C ATOM 839 OE1 GLN A 585 0.960 9.459 3.068 1.00 4.64 O ATOM 840 NE2 GLN A 585 0.214 10.748 4.681 1.00 3.35 N ATOM 0 H GLN A 585 -3.606 6.836 4.081 1.00 1.17 H new ATOM 0 HA GLN A 585 -0.932 7.832 4.884 1.00 1.46 H new ATOM 0 HB2 GLN A 585 -1.673 7.921 2.553 1.00 1.78 H new ATOM 0 HB3 GLN A 585 -3.141 8.752 3.026 1.00 1.78 H new ATOM 0 HG2 GLN A 585 -1.372 10.194 1.976 1.00 2.04 H new ATOM 0 HG3 GLN A 585 -1.988 10.764 3.515 1.00 2.04 H new ATOM 0 HE21 GLN A 585 -0.570 11.238 5.112 1.00 3.35 H new ATOM 0 HE22 GLN A 585 1.142 10.802 5.100 1.00 3.35 H new ATOM 849 N HIS A 586 -3.721 9.085 6.116 1.00 1.34 N ATOM 850 CA HIS A 586 -4.211 9.644 7.392 1.00 1.37 C ATOM 851 C HIS A 586 -5.668 9.234 7.702 1.00 1.13 C ATOM 852 O HIS A 586 -6.594 9.694 7.024 1.00 0.96 O ATOM 853 CB HIS A 586 -4.068 11.183 7.367 1.00 1.53 C ATOM 854 CG HIS A 586 -3.878 11.781 8.738 1.00 1.79 C ATOM 855 ND1 HIS A 586 -2.673 11.929 9.384 1.00 3.15 N ATOM 856 CD2 HIS A 586 -4.840 12.320 9.550 1.00 1.89 C ATOM 857 CE1 HIS A 586 -2.893 12.539 10.556 1.00 3.20 C ATOM 858 NE2 HIS A 586 -4.205 12.793 10.707 1.00 2.32 N ATOM 0 H HIS A 586 -4.464 8.851 5.457 1.00 1.34 H new ATOM 0 HA HIS A 586 -3.599 9.229 8.193 1.00 1.37 H new ATOM 0 HB2 HIS A 586 -3.219 11.453 6.738 1.00 1.53 H new ATOM 0 HB3 HIS A 586 -4.956 11.617 6.907 1.00 1.53 H new ATOM 0 HD2 HIS A 586 -5.898 12.371 9.337 1.00 1.89 H new ATOM 0 HE1 HIS A 586 -2.128 12.790 11.275 1.00 3.20 H new ATOM 0 HE2 HIS A 586 -4.651 13.242 11.507 1.00 2.32 H new ATOM 866 N GLY A 587 -5.904 8.401 8.723 1.00 1.22 N ATOM 867 CA GLY A 587 -7.231 8.065 9.234 1.00 1.12 C ATOM 868 C GLY A 587 -7.267 6.661 9.841 1.00 1.14 C ATOM 869 O GLY A 587 -6.227 6.091 10.181 1.00 1.27 O ATOM 0 H GLY A 587 -5.153 7.931 9.228 1.00 1.22 H new ATOM 0 HA2 GLY A 587 -7.526 8.795 9.988 1.00 1.12 H new ATOM 0 HA3 GLY A 587 -7.959 8.130 8.426 1.00 1.12 H new ATOM 873 N VAL A 588 -8.472 6.099 9.968 1.00 1.06 N ATOM 874 CA VAL A 588 -8.737 4.811 10.626 1.00 1.05 C ATOM 875 C VAL A 588 -9.711 3.973 9.777 1.00 0.95 C ATOM 876 O VAL A 588 -10.604 4.507 9.111 1.00 0.91 O ATOM 877 CB VAL A 588 -9.269 5.023 12.070 1.00 1.20 C ATOM 878 CG1 VAL A 588 -9.463 3.723 12.862 1.00 1.27 C ATOM 879 CG2 VAL A 588 -8.343 5.915 12.912 1.00 1.34 C ATOM 0 H VAL A 588 -9.318 6.539 9.606 1.00 1.06 H new ATOM 0 HA VAL A 588 -7.801 4.259 10.708 1.00 1.05 H new ATOM 0 HB VAL A 588 -10.236 5.500 11.911 1.00 1.20 H new ATOM 0 HG11 VAL A 588 -9.836 3.957 13.859 1.00 1.27 H new ATOM 0 HG12 VAL A 588 -10.181 3.086 12.346 1.00 1.27 H new ATOM 0 HG13 VAL A 588 -8.509 3.202 12.945 1.00 1.27 H new ATOM 0 HG21 VAL A 588 -8.761 6.031 13.912 1.00 1.34 H new ATOM 0 HG22 VAL A 588 -7.358 5.454 12.981 1.00 1.34 H new ATOM 0 HG23 VAL A 588 -8.253 6.894 12.440 1.00 1.34 H new ATOM 889 N VAL A 589 -9.559 2.650 9.784 1.00 0.93 N ATOM 890 CA VAL A 589 -10.399 1.688 9.046 1.00 0.91 C ATOM 891 C VAL A 589 -10.820 0.518 9.933 1.00 1.02 C ATOM 892 O VAL A 589 -10.072 0.097 10.817 1.00 1.09 O ATOM 893 CB VAL A 589 -9.701 1.154 7.775 1.00 0.87 C ATOM 894 CG1 VAL A 589 -9.399 2.276 6.772 1.00 0.83 C ATOM 895 CG2 VAL A 589 -8.402 0.399 8.083 1.00 0.91 C ATOM 0 H VAL A 589 -8.822 2.194 10.322 1.00 0.93 H new ATOM 0 HA VAL A 589 -11.289 2.236 8.737 1.00 0.91 H new ATOM 0 HB VAL A 589 -10.410 0.454 7.332 1.00 0.87 H new ATOM 0 HG11 VAL A 589 -8.908 1.857 5.894 1.00 0.83 H new ATOM 0 HG12 VAL A 589 -10.330 2.757 6.473 1.00 0.83 H new ATOM 0 HG13 VAL A 589 -8.743 3.013 7.237 1.00 0.83 H new ATOM 0 HG21 VAL A 589 -7.956 0.047 7.153 1.00 0.91 H new ATOM 0 HG22 VAL A 589 -7.705 1.066 8.590 1.00 0.91 H new ATOM 0 HG23 VAL A 589 -8.620 -0.454 8.726 1.00 0.91 H new ATOM 905 N SER A 590 -11.988 -0.051 9.642 1.00 1.04 N ATOM 906 CA SER A 590 -12.378 -1.384 10.114 1.00 1.24 C ATOM 907 C SER A 590 -12.200 -2.426 9.002 1.00 1.39 C ATOM 908 O SER A 590 -12.938 -2.446 8.012 1.00 1.23 O ATOM 909 CB SER A 590 -13.819 -1.423 10.627 1.00 1.38 C ATOM 910 OG SER A 590 -14.132 -0.346 11.485 1.00 1.25 O ATOM 0 H SER A 590 -12.699 0.402 9.067 1.00 1.04 H new ATOM 0 HA SER A 590 -11.720 -1.624 10.950 1.00 1.24 H new ATOM 0 HB2 SER A 590 -14.501 -1.412 9.777 1.00 1.38 H new ATOM 0 HB3 SER A 590 -13.984 -2.361 11.157 1.00 1.38 H new ATOM 0 HG SER A 590 -15.104 -0.231 11.525 1.00 1.25 H new ATOM 916 N VAL A 591 -11.246 -3.335 9.185 1.00 1.69 N ATOM 917 CA VAL A 591 -11.087 -4.553 8.377 1.00 1.32 C ATOM 918 C VAL A 591 -12.131 -5.566 8.830 1.00 0.99 C ATOM 919 O VAL A 591 -12.435 -5.649 10.018 1.00 1.04 O ATOM 920 CB VAL A 591 -9.691 -5.190 8.556 1.00 1.66 C ATOM 921 CG1 VAL A 591 -9.400 -6.263 7.499 1.00 3.03 C ATOM 922 CG2 VAL A 591 -8.542 -4.184 8.510 1.00 1.42 C ATOM 0 H VAL A 591 -10.541 -3.248 9.917 1.00 1.69 H new ATOM 0 HA VAL A 591 -11.207 -4.282 7.328 1.00 1.32 H new ATOM 0 HB VAL A 591 -9.736 -5.632 9.551 1.00 1.66 H new ATOM 0 HG11 VAL A 591 -8.407 -6.680 7.668 1.00 3.03 H new ATOM 0 HG12 VAL A 591 -10.144 -7.056 7.571 1.00 3.03 H new ATOM 0 HG13 VAL A 591 -9.442 -5.816 6.506 1.00 3.03 H new ATOM 0 HG21 VAL A 591 -7.595 -4.707 8.643 1.00 1.42 H new ATOM 0 HG22 VAL A 591 -8.543 -3.674 7.546 1.00 1.42 H new ATOM 0 HG23 VAL A 591 -8.667 -3.452 9.308 1.00 1.42 H new ATOM 932 N LEU A 592 -12.645 -6.358 7.899 1.00 0.94 N ATOM 933 CA LEU A 592 -13.380 -7.587 8.191 1.00 1.24 C ATOM 934 C LEU A 592 -12.510 -8.780 7.764 1.00 1.52 C ATOM 935 O LEU A 592 -11.903 -8.730 6.691 1.00 1.48 O ATOM 936 CB LEU A 592 -14.727 -7.608 7.431 1.00 1.53 C ATOM 937 CG LEU A 592 -15.745 -6.469 7.658 1.00 1.83 C ATOM 938 CD1 LEU A 592 -16.008 -6.210 9.138 1.00 2.37 C ATOM 939 CD2 LEU A 592 -15.397 -5.139 6.979 1.00 1.95 C ATOM 0 H LEU A 592 -12.563 -6.163 6.901 1.00 0.94 H new ATOM 0 HA LEU A 592 -13.598 -7.643 9.257 1.00 1.24 H new ATOM 0 HB2 LEU A 592 -14.500 -7.636 6.365 1.00 1.53 H new ATOM 0 HB3 LEU A 592 -15.226 -8.546 7.676 1.00 1.53 H new ATOM 0 HG LEU A 592 -16.647 -6.848 7.177 1.00 1.83 H new ATOM 0 HD11 LEU A 592 -16.730 -5.400 9.243 1.00 2.37 H new ATOM 0 HD12 LEU A 592 -16.406 -7.113 9.600 1.00 2.37 H new ATOM 0 HD13 LEU A 592 -15.076 -5.931 9.630 1.00 2.37 H new ATOM 0 HD21 LEU A 592 -16.172 -4.405 7.198 1.00 1.95 H new ATOM 0 HD22 LEU A 592 -14.439 -4.779 7.354 1.00 1.95 H new ATOM 0 HD23 LEU A 592 -15.332 -5.287 5.901 1.00 1.95 H new ATOM 951 N THR A 593 -12.475 -9.868 8.537 1.00 2.00 N ATOM 952 CA THR A 593 -12.024 -11.171 8.017 1.00 2.50 C ATOM 953 C THR A 593 -13.211 -12.122 7.898 1.00 2.95 C ATOM 954 O THR A 593 -14.044 -12.208 8.799 1.00 3.04 O ATOM 955 CB THR A 593 -10.821 -11.758 8.779 1.00 2.72 C ATOM 956 OG1 THR A 593 -10.763 -11.374 10.133 1.00 2.46 O ATOM 957 CG2 THR A 593 -9.521 -11.282 8.127 1.00 2.77 C ATOM 0 H THR A 593 -12.750 -9.878 9.519 1.00 2.00 H new ATOM 0 HA THR A 593 -11.629 -11.014 7.013 1.00 2.50 H new ATOM 0 HB THR A 593 -10.944 -12.840 8.734 1.00 2.72 H new ATOM 0 HG1 THR A 593 -9.979 -11.782 10.555 1.00 2.46 H new ATOM 0 HG21 THR A 593 -8.670 -11.698 8.667 1.00 2.77 H new ATOM 0 HG22 THR A 593 -9.491 -11.615 7.090 1.00 2.77 H new ATOM 0 HG23 THR A 593 -9.475 -10.193 8.160 1.00 2.77 H new ATOM 965 N LYS A 594 -13.339 -12.785 6.742 1.00 3.35 N ATOM 966 CA LYS A 594 -14.581 -13.435 6.276 1.00 3.89 C ATOM 967 C LYS A 594 -15.149 -14.530 7.192 1.00 4.58 C ATOM 968 O LYS A 594 -16.367 -14.715 7.232 1.00 5.93 O ATOM 969 CB LYS A 594 -14.416 -13.923 4.824 1.00 4.13 C ATOM 970 CG LYS A 594 -13.327 -14.983 4.585 1.00 4.52 C ATOM 971 CD LYS A 594 -11.928 -14.417 4.272 1.00 4.23 C ATOM 972 CE LYS A 594 -10.864 -15.506 4.085 1.00 4.87 C ATOM 973 NZ LYS A 594 -11.069 -16.321 2.865 1.00 5.51 N ATOM 0 H LYS A 594 -12.566 -12.890 6.085 1.00 3.35 H new ATOM 0 HA LYS A 594 -15.344 -12.657 6.317 1.00 3.89 H new ATOM 0 HB2 LYS A 594 -15.370 -14.330 4.488 1.00 4.13 H new ATOM 0 HB3 LYS A 594 -14.198 -13.060 4.195 1.00 4.13 H new ATOM 0 HG2 LYS A 594 -13.257 -15.617 5.469 1.00 4.52 H new ATOM 0 HG3 LYS A 594 -13.638 -15.622 3.758 1.00 4.52 H new ATOM 0 HD2 LYS A 594 -11.982 -13.812 3.367 1.00 4.23 H new ATOM 0 HD3 LYS A 594 -11.622 -13.754 5.081 1.00 4.23 H new ATOM 0 HE2 LYS A 594 -9.880 -15.039 4.041 1.00 4.87 H new ATOM 0 HE3 LYS A 594 -10.867 -16.161 4.956 1.00 4.87 H new ATOM 0 HZ1 LYS A 594 -10.319 -17.038 2.796 1.00 5.51 H new ATOM 0 HZ2 LYS A 594 -11.995 -16.793 2.914 1.00 5.51 H new ATOM 0 HZ3 LYS A 594 -11.038 -15.706 2.027 1.00 5.51 H new ATOM 987 N GLY A 595 -14.315 -15.202 7.981 1.00 4.12 N ATOM 988 CA GLY A 595 -14.738 -16.160 9.009 1.00 4.55 C ATOM 989 C GLY A 595 -15.128 -15.540 10.353 1.00 4.43 C ATOM 990 O GLY A 595 -15.625 -16.251 11.230 1.00 4.74 O ATOM 0 H GLY A 595 -13.302 -15.096 7.925 1.00 4.12 H new ATOM 0 HA2 GLY A 595 -15.587 -16.727 8.628 1.00 4.55 H new ATOM 0 HA3 GLY A 595 -13.929 -16.871 9.176 1.00 4.55 H new ATOM 994 N ASN A 596 -14.833 -14.252 10.551 1.00 4.00 N ATOM 995 CA ASN A 596 -14.360 -13.714 11.826 1.00 3.78 C ATOM 996 C ASN A 596 -14.931 -12.300 12.120 1.00 3.38 C ATOM 997 O ASN A 596 -16.108 -12.031 11.848 1.00 3.63 O ATOM 998 CB ASN A 596 -12.817 -13.704 11.776 1.00 3.58 C ATOM 999 CG ASN A 596 -12.109 -14.990 11.398 1.00 4.13 C ATOM 1000 OD1 ASN A 596 -12.596 -16.098 11.577 1.00 4.76 O ATOM 1001 ND2 ASN A 596 -10.886 -14.894 10.955 1.00 4.03 N ATOM 0 H ASN A 596 -14.918 -13.546 9.820 1.00 4.00 H new ATOM 0 HA ASN A 596 -14.713 -14.342 12.644 1.00 3.78 H new ATOM 0 HB2 ASN A 596 -12.511 -12.934 11.068 1.00 3.58 H new ATOM 0 HB3 ASN A 596 -12.453 -13.398 12.757 1.00 3.58 H new ATOM 0 HD21 ASN A 596 -10.346 -15.737 10.762 1.00 4.03 H new ATOM 0 HD22 ASN A 596 -10.470 -13.976 10.802 1.00 4.03 H new ATOM 1008 N LYS A 597 -14.138 -11.447 12.791 1.00 2.92 N ATOM 1009 CA LYS A 597 -14.532 -10.174 13.412 1.00 2.66 C ATOM 1010 C LYS A 597 -14.077 -8.915 12.664 1.00 2.07 C ATOM 1011 O LYS A 597 -13.254 -8.968 11.751 1.00 1.83 O ATOM 1012 CB LYS A 597 -14.057 -10.143 14.886 1.00 2.75 C ATOM 1013 CG LYS A 597 -14.661 -11.176 15.863 1.00 3.48 C ATOM 1014 CD LYS A 597 -14.277 -12.659 15.692 1.00 3.67 C ATOM 1015 CE LYS A 597 -12.781 -12.935 15.476 1.00 3.54 C ATOM 1016 NZ LYS A 597 -11.947 -12.541 16.637 1.00 4.14 N ATOM 0 H LYS A 597 -13.145 -11.641 12.921 1.00 2.92 H new ATOM 0 HA LYS A 597 -15.620 -10.143 13.360 1.00 2.66 H new ATOM 0 HB2 LYS A 597 -12.975 -10.271 14.891 1.00 2.75 H new ATOM 0 HB3 LYS A 597 -14.262 -9.149 15.282 1.00 2.75 H new ATOM 0 HG2 LYS A 597 -14.386 -10.876 16.874 1.00 3.48 H new ATOM 0 HG3 LYS A 597 -15.746 -11.104 15.793 1.00 3.48 H new ATOM 0 HD2 LYS A 597 -14.605 -13.205 16.576 1.00 3.67 H new ATOM 0 HD3 LYS A 597 -14.829 -13.064 14.844 1.00 3.67 H new ATOM 0 HE2 LYS A 597 -12.638 -13.997 15.276 1.00 3.54 H new ATOM 0 HE3 LYS A 597 -12.441 -12.396 14.592 1.00 3.54 H new ATOM 0 HZ1 LYS A 597 -10.949 -12.750 16.434 1.00 4.14 H new ATOM 0 HZ2 LYS A 597 -12.058 -11.522 16.814 1.00 4.14 H new ATOM 0 HZ3 LYS A 597 -12.248 -13.074 17.478 1.00 4.14 H new ATOM 1030 N GLU A 598 -14.584 -7.767 13.118 1.00 2.09 N ATOM 1031 CA GLU A 598 -14.021 -6.448 12.821 1.00 1.82 C ATOM 1032 C GLU A 598 -12.658 -6.233 13.492 1.00 1.44 C ATOM 1033 O GLU A 598 -12.504 -6.462 14.697 1.00 1.55 O ATOM 1034 CB GLU A 598 -14.939 -5.314 13.310 1.00 2.53 C ATOM 1035 CG GLU A 598 -16.156 -5.106 12.413 1.00 2.79 C ATOM 1036 CD GLU A 598 -17.287 -4.386 13.163 1.00 3.19 C ATOM 1037 OE1 GLU A 598 -17.885 -4.977 14.098 1.00 3.05 O ATOM 1038 OE2 GLU A 598 -17.573 -3.206 12.845 1.00 4.42 O ATOM 0 H GLU A 598 -15.412 -7.727 13.713 1.00 2.09 H new ATOM 0 HA GLU A 598 -13.916 -6.421 11.736 1.00 1.82 H new ATOM 0 HB2 GLU A 598 -15.274 -5.536 14.323 1.00 2.53 H new ATOM 0 HB3 GLU A 598 -14.368 -4.387 13.360 1.00 2.53 H new ATOM 0 HG2 GLU A 598 -15.869 -4.524 11.537 1.00 2.79 H new ATOM 0 HG3 GLU A 598 -16.513 -6.070 12.052 1.00 2.79 H new ATOM 1045 N MET A 599 -11.712 -5.665 12.748 1.00 1.21 N ATOM 1046 CA MET A 599 -10.362 -5.298 13.216 1.00 1.25 C ATOM 1047 C MET A 599 -9.985 -3.859 12.854 1.00 1.62 C ATOM 1048 O MET A 599 -9.995 -3.483 11.684 1.00 2.28 O ATOM 1049 CB MET A 599 -9.314 -6.263 12.652 1.00 1.13 C ATOM 1050 CG MET A 599 -9.487 -7.675 13.208 1.00 1.34 C ATOM 1051 SD MET A 599 -8.348 -8.904 12.507 1.00 1.81 S ATOM 1052 CE MET A 599 -8.794 -8.822 10.746 1.00 1.79 C ATOM 0 H MET A 599 -11.862 -5.436 11.765 1.00 1.21 H new ATOM 0 HA MET A 599 -10.380 -5.370 14.303 1.00 1.25 H new ATOM 0 HB2 MET A 599 -9.391 -6.288 11.565 1.00 1.13 H new ATOM 0 HB3 MET A 599 -8.316 -5.897 12.893 1.00 1.13 H new ATOM 0 HG2 MET A 599 -9.350 -7.646 14.289 1.00 1.34 H new ATOM 0 HG3 MET A 599 -10.511 -8.001 13.025 1.00 1.34 H new ATOM 0 HE1 MET A 599 -8.431 -9.715 10.237 1.00 1.79 H new ATOM 0 HE2 MET A 599 -9.878 -8.764 10.648 1.00 1.79 H new ATOM 0 HE3 MET A 599 -8.341 -7.938 10.297 1.00 1.79 H new ATOM 1062 N LYS A 600 -9.633 -3.049 13.855 1.00 1.39 N ATOM 1063 CA LYS A 600 -9.362 -1.620 13.710 1.00 1.38 C ATOM 1064 C LYS A 600 -7.886 -1.284 13.434 1.00 1.49 C ATOM 1065 O LYS A 600 -7.014 -1.543 14.268 1.00 1.86 O ATOM 1066 CB LYS A 600 -9.906 -0.919 14.964 1.00 1.35 C ATOM 1067 CG LYS A 600 -10.416 0.475 14.609 1.00 1.67 C ATOM 1068 CD LYS A 600 -11.775 0.491 13.897 1.00 1.79 C ATOM 1069 CE LYS A 600 -12.911 0.042 14.821 1.00 1.78 C ATOM 1070 NZ LYS A 600 -14.220 0.440 14.260 1.00 2.38 N ATOM 0 H LYS A 600 -9.526 -3.380 14.814 1.00 1.39 H new ATOM 0 HA LYS A 600 -9.870 -1.253 12.818 1.00 1.38 H new ATOM 0 HB2 LYS A 600 -10.713 -1.510 15.399 1.00 1.35 H new ATOM 0 HB3 LYS A 600 -9.122 -0.846 15.718 1.00 1.35 H new ATOM 0 HG2 LYS A 600 -10.491 1.064 15.523 1.00 1.67 H new ATOM 0 HG3 LYS A 600 -9.680 0.966 13.972 1.00 1.67 H new ATOM 0 HD2 LYS A 600 -11.981 1.497 13.531 1.00 1.79 H new ATOM 0 HD3 LYS A 600 -11.736 -0.163 13.026 1.00 1.79 H new ATOM 0 HE2 LYS A 600 -12.877 -1.040 14.950 1.00 1.78 H new ATOM 0 HE3 LYS A 600 -12.782 0.485 15.809 1.00 1.78 H new ATOM 0 HZ1 LYS A 600 -14.983 0.070 14.862 1.00 2.38 H new ATOM 0 HZ2 LYS A 600 -14.281 1.478 14.223 1.00 2.38 H new ATOM 0 HZ3 LYS A 600 -14.318 0.053 13.300 1.00 2.38 H new ATOM 1084 N LEU A 601 -7.619 -0.676 12.276 1.00 1.26 N ATOM 1085 CA LEU A 601 -6.289 -0.279 11.779 1.00 1.21 C ATOM 1086 C LEU A 601 -6.241 1.232 11.471 1.00 1.05 C ATOM 1087 O LEU A 601 -7.274 1.859 11.253 1.00 0.99 O ATOM 1088 CB LEU A 601 -5.927 -1.103 10.525 1.00 1.29 C ATOM 1089 CG LEU A 601 -5.310 -2.495 10.760 1.00 1.35 C ATOM 1090 CD1 LEU A 601 -6.229 -3.476 11.490 1.00 1.33 C ATOM 1091 CD2 LEU A 601 -4.983 -3.112 9.399 1.00 1.56 C ATOM 0 H LEU A 601 -8.361 -0.432 11.620 1.00 1.26 H new ATOM 0 HA LEU A 601 -5.554 -0.482 12.558 1.00 1.21 H new ATOM 0 HB2 LEU A 601 -6.831 -1.229 9.929 1.00 1.29 H new ATOM 0 HB3 LEU A 601 -5.229 -0.519 9.925 1.00 1.29 H new ATOM 0 HG LEU A 601 -4.434 -2.338 11.389 1.00 1.35 H new ATOM 0 HD11 LEU A 601 -5.717 -4.430 11.614 1.00 1.33 H new ATOM 0 HD12 LEU A 601 -6.487 -3.073 12.469 1.00 1.33 H new ATOM 0 HD13 LEU A 601 -7.138 -3.625 10.908 1.00 1.33 H new ATOM 0 HD21 LEU A 601 -4.544 -4.099 9.543 1.00 1.56 H new ATOM 0 HD22 LEU A 601 -5.897 -3.203 8.812 1.00 1.56 H new ATOM 0 HD23 LEU A 601 -4.274 -2.474 8.871 1.00 1.56 H new ATOM 1103 N SER A 602 -5.045 1.819 11.424 1.00 1.10 N ATOM 1104 CA SER A 602 -4.804 3.269 11.286 1.00 1.20 C ATOM 1105 C SER A 602 -3.616 3.587 10.363 1.00 1.26 C ATOM 1106 O SER A 602 -3.034 2.682 9.763 1.00 1.20 O ATOM 1107 CB SER A 602 -4.621 3.893 12.679 1.00 1.40 C ATOM 1108 OG SER A 602 -3.544 3.282 13.366 1.00 1.76 O ATOM 0 H SER A 602 -4.179 1.283 11.483 1.00 1.10 H new ATOM 0 HA SER A 602 -5.677 3.712 10.807 1.00 1.20 H new ATOM 0 HB2 SER A 602 -4.436 4.963 12.582 1.00 1.40 H new ATOM 0 HB3 SER A 602 -5.538 3.779 13.257 1.00 1.40 H new ATOM 0 HG SER A 602 -3.443 3.694 14.249 1.00 1.76 H new ATOM 1114 N ASP A 603 -3.262 4.871 10.213 1.00 1.47 N ATOM 1115 CA ASP A 603 -2.080 5.333 9.467 1.00 1.60 C ATOM 1116 C ASP A 603 -0.839 4.445 9.671 1.00 1.56 C ATOM 1117 O ASP A 603 -0.496 4.062 10.795 1.00 1.53 O ATOM 1118 CB ASP A 603 -1.755 6.798 9.810 1.00 1.88 C ATOM 1119 CG ASP A 603 -1.436 7.044 11.294 1.00 1.79 C ATOM 1120 OD1 ASP A 603 -2.361 6.988 12.141 1.00 1.90 O ATOM 1121 OD2 ASP A 603 -0.272 7.353 11.643 1.00 2.37 O ATOM 0 H ASP A 603 -3.802 5.637 10.616 1.00 1.47 H new ATOM 0 HA ASP A 603 -2.342 5.258 8.412 1.00 1.60 H new ATOM 0 HB2 ASP A 603 -0.904 7.120 9.209 1.00 1.88 H new ATOM 0 HB3 ASP A 603 -2.601 7.422 9.524 1.00 1.88 H new ATOM 1126 N GLY A 604 -0.173 4.092 8.567 1.00 1.63 N ATOM 1127 CA GLY A 604 0.975 3.176 8.566 1.00 1.65 C ATOM 1128 C GLY A 604 0.638 1.685 8.449 1.00 1.48 C ATOM 1129 O GLY A 604 1.536 0.837 8.440 1.00 1.62 O ATOM 0 H GLY A 604 -0.417 4.437 7.639 1.00 1.63 H new ATOM 0 HA2 GLY A 604 1.631 3.447 7.739 1.00 1.65 H new ATOM 0 HA3 GLY A 604 1.540 3.331 9.485 1.00 1.65 H new ATOM 1133 N SER A 605 -0.647 1.362 8.342 1.00 1.29 N ATOM 1134 CA SER A 605 -1.146 0.086 7.829 1.00 1.18 C ATOM 1135 C SER A 605 -1.335 0.153 6.309 1.00 1.07 C ATOM 1136 O SER A 605 -1.472 1.241 5.739 1.00 0.98 O ATOM 1137 CB SER A 605 -2.466 -0.234 8.519 1.00 1.02 C ATOM 1138 OG SER A 605 -2.249 -0.525 9.891 1.00 1.32 O ATOM 0 H SER A 605 -1.394 1.999 8.618 1.00 1.29 H new ATOM 0 HA SER A 605 -0.422 -0.702 8.039 1.00 1.18 H new ATOM 0 HB2 SER A 605 -3.148 0.611 8.423 1.00 1.02 H new ATOM 0 HB3 SER A 605 -2.942 -1.085 8.031 1.00 1.02 H new ATOM 0 HG SER A 605 -3.106 -0.727 10.322 1.00 1.32 H new ATOM 1144 N TYR A 606 -1.359 -0.997 5.634 1.00 1.11 N ATOM 1145 CA TYR A 606 -1.429 -1.060 4.171 1.00 1.08 C ATOM 1146 C TYR A 606 -2.160 -2.301 3.641 1.00 1.18 C ATOM 1147 O TYR A 606 -2.225 -3.343 4.294 1.00 1.37 O ATOM 1148 CB TYR A 606 -0.012 -0.962 3.588 1.00 1.21 C ATOM 1149 CG TYR A 606 0.834 -2.200 3.768 1.00 1.49 C ATOM 1150 CD1 TYR A 606 1.609 -2.368 4.933 1.00 1.66 C ATOM 1151 CD2 TYR A 606 0.832 -3.190 2.769 1.00 3.14 C ATOM 1152 CE1 TYR A 606 2.369 -3.543 5.109 1.00 2.20 C ATOM 1153 CE2 TYR A 606 1.597 -4.354 2.937 1.00 3.78 C ATOM 1154 CZ TYR A 606 2.353 -4.542 4.113 1.00 2.97 C ATOM 1155 OH TYR A 606 3.039 -5.700 4.290 1.00 3.82 O ATOM 0 H TYR A 606 -1.331 -1.912 6.085 1.00 1.11 H new ATOM 0 HA TYR A 606 -2.027 -0.211 3.841 1.00 1.08 H new ATOM 0 HB2 TYR A 606 -0.087 -0.742 2.523 1.00 1.21 H new ATOM 0 HB3 TYR A 606 0.499 -0.119 4.053 1.00 1.21 H new ATOM 0 HD1 TYR A 606 1.621 -1.598 5.690 1.00 1.66 H new ATOM 0 HD2 TYR A 606 0.243 -3.054 1.874 1.00 3.14 H new ATOM 0 HE1 TYR A 606 2.961 -3.677 6.002 1.00 2.20 H new ATOM 0 HE2 TYR A 606 1.607 -5.108 2.164 1.00 3.78 H new ATOM 0 HH TYR A 606 2.550 -6.438 3.869 1.00 3.82 H new ATOM 1165 N PHE A 607 -2.701 -2.182 2.429 1.00 1.11 N ATOM 1166 CA PHE A 607 -3.450 -3.247 1.742 1.00 1.29 C ATOM 1167 C PHE A 607 -3.188 -3.290 0.218 1.00 1.55 C ATOM 1168 O PHE A 607 -2.291 -2.629 -0.305 1.00 1.72 O ATOM 1169 CB PHE A 607 -4.939 -3.188 2.155 1.00 1.32 C ATOM 1170 CG PHE A 607 -5.516 -1.811 2.434 1.00 1.13 C ATOM 1171 CD1 PHE A 607 -5.392 -0.785 1.481 1.00 2.46 C ATOM 1172 CD2 PHE A 607 -6.175 -1.554 3.654 1.00 1.69 C ATOM 1173 CE1 PHE A 607 -5.899 0.494 1.754 1.00 2.71 C ATOM 1174 CE2 PHE A 607 -6.699 -0.277 3.917 1.00 1.56 C ATOM 1175 CZ PHE A 607 -6.546 0.750 2.974 1.00 1.46 C ATOM 0 H PHE A 607 -2.632 -1.325 1.880 1.00 1.11 H new ATOM 0 HA PHE A 607 -3.074 -4.215 2.074 1.00 1.29 H new ATOM 0 HB2 PHE A 607 -5.530 -3.651 1.364 1.00 1.32 H new ATOM 0 HB3 PHE A 607 -5.069 -3.799 3.049 1.00 1.32 H new ATOM 0 HD1 PHE A 607 -4.906 -0.982 0.537 1.00 2.46 H new ATOM 0 HD2 PHE A 607 -6.277 -2.340 4.388 1.00 1.69 H new ATOM 0 HE1 PHE A 607 -5.792 1.283 1.025 1.00 2.71 H new ATOM 0 HE2 PHE A 607 -7.219 -0.086 4.844 1.00 1.56 H new ATOM 0 HZ PHE A 607 -6.926 1.738 3.186 1.00 1.46 H new ATOM 1185 N GLY A 608 -3.888 -4.176 -0.494 1.00 1.85 N ATOM 1186 CA GLY A 608 -3.576 -4.566 -1.873 1.00 2.24 C ATOM 1187 C GLY A 608 -2.597 -5.747 -1.893 1.00 2.37 C ATOM 1188 O GLY A 608 -3.035 -6.873 -2.097 1.00 3.00 O ATOM 0 H GLY A 608 -4.707 -4.654 -0.120 1.00 1.85 H new ATOM 0 HA2 GLY A 608 -4.493 -4.838 -2.396 1.00 2.24 H new ATOM 0 HA3 GLY A 608 -3.144 -3.720 -2.407 1.00 2.24 H new ATOM 1192 N GLU A 609 -1.316 -5.489 -1.593 1.00 2.96 N ATOM 1193 CA GLU A 609 -0.215 -6.447 -1.328 1.00 3.38 C ATOM 1194 C GLU A 609 -0.120 -7.703 -2.238 1.00 2.39 C ATOM 1195 O GLU A 609 -0.590 -8.783 -1.875 1.00 2.57 O ATOM 1196 CB GLU A 609 -0.187 -6.827 0.176 1.00 4.60 C ATOM 1197 CG GLU A 609 1.103 -7.593 0.538 1.00 6.10 C ATOM 1198 CD GLU A 609 1.140 -8.145 1.971 1.00 7.10 C ATOM 1199 OE1 GLU A 609 1.677 -7.499 2.900 1.00 8.22 O ATOM 1200 OE2 GLU A 609 0.784 -9.331 2.171 1.00 7.22 O ATOM 0 H GLU A 609 -0.988 -4.526 -1.522 1.00 2.96 H new ATOM 0 HA GLU A 609 0.683 -5.895 -1.606 1.00 3.38 H new ATOM 0 HB2 GLU A 609 -0.259 -5.924 0.783 1.00 4.60 H new ATOM 0 HB3 GLU A 609 -1.056 -7.441 0.414 1.00 4.60 H new ATOM 0 HG2 GLU A 609 1.225 -8.422 -0.159 1.00 6.10 H new ATOM 0 HG3 GLU A 609 1.956 -6.929 0.397 1.00 6.10 H new ATOM 1207 N ILE A 610 0.628 -7.616 -3.347 1.00 2.87 N ATOM 1208 CA ILE A 610 1.155 -8.779 -4.102 1.00 3.06 C ATOM 1209 C ILE A 610 2.626 -8.500 -4.494 1.00 2.97 C ATOM 1210 O ILE A 610 3.037 -7.340 -4.541 1.00 3.70 O ATOM 1211 CB ILE A 610 0.286 -9.145 -5.341 1.00 4.42 C ATOM 1212 CG1 ILE A 610 -1.223 -8.894 -5.147 1.00 5.73 C ATOM 1213 CG2 ILE A 610 0.505 -10.629 -5.706 1.00 4.99 C ATOM 1214 CD1 ILE A 610 -2.101 -9.229 -6.363 1.00 7.47 C ATOM 0 H ILE A 610 0.893 -6.721 -3.758 1.00 2.87 H new ATOM 0 HA ILE A 610 1.111 -9.654 -3.454 1.00 3.06 H new ATOM 0 HB ILE A 610 0.613 -8.485 -6.144 1.00 4.42 H new ATOM 0 HG12 ILE A 610 -1.567 -9.483 -4.297 1.00 5.73 H new ATOM 0 HG13 ILE A 610 -1.371 -7.845 -4.889 1.00 5.73 H new ATOM 0 HG21 ILE A 610 -0.104 -10.884 -6.573 1.00 4.99 H new ATOM 0 HG22 ILE A 610 1.557 -10.795 -5.939 1.00 4.99 H new ATOM 0 HG23 ILE A 610 0.217 -11.257 -4.863 1.00 4.99 H new ATOM 0 HD11 ILE A 610 -3.144 -9.019 -6.127 1.00 7.47 H new ATOM 0 HD12 ILE A 610 -1.792 -8.622 -7.214 1.00 7.47 H new ATOM 0 HD13 ILE A 610 -1.991 -10.285 -6.612 1.00 7.47 H new ATOM 1226 N CYS A 611 3.442 -9.532 -4.760 1.00 3.34 N ATOM 1227 CA CYS A 611 4.847 -9.363 -5.166 1.00 3.82 C ATOM 1228 C CYS A 611 5.022 -8.565 -6.461 1.00 3.00 C ATOM 1229 O CYS A 611 4.249 -8.715 -7.405 1.00 2.96 O ATOM 1230 CB CYS A 611 5.601 -10.702 -5.137 1.00 5.79 C ATOM 1231 SG CYS A 611 5.749 -11.287 -3.425 1.00 6.92 S ATOM 0 H CYS A 611 3.147 -10.507 -4.700 1.00 3.34 H new ATOM 0 HA CYS A 611 5.322 -8.731 -4.416 1.00 3.82 H new ATOM 0 HB2 CYS A 611 5.072 -11.441 -5.739 1.00 5.79 H new ATOM 0 HB3 CYS A 611 6.591 -10.582 -5.577 1.00 5.79 H new ATOM 0 HG CYS A 611 6.385 -12.420 -3.407 1.00 6.92 H new ATOM 1237 N LEU A 612 6.050 -7.709 -6.505 1.00 3.05 N ATOM 1238 CA LEU A 612 6.187 -6.642 -7.506 1.00 2.34 C ATOM 1239 C LEU A 612 6.316 -7.178 -8.934 1.00 2.56 C ATOM 1240 O LEU A 612 5.819 -6.556 -9.875 1.00 2.49 O ATOM 1241 CB LEU A 612 7.414 -5.788 -7.149 1.00 2.93 C ATOM 1242 CG LEU A 612 7.219 -4.825 -5.971 1.00 2.26 C ATOM 1243 CD1 LEU A 612 8.547 -4.151 -5.672 1.00 2.95 C ATOM 1244 CD2 LEU A 612 6.239 -3.700 -6.303 1.00 1.24 C ATOM 0 H LEU A 612 6.821 -7.738 -5.838 1.00 3.05 H new ATOM 0 HA LEU A 612 5.277 -6.042 -7.484 1.00 2.34 H new ATOM 0 HB2 LEU A 612 8.246 -6.454 -6.919 1.00 2.93 H new ATOM 0 HB3 LEU A 612 7.702 -5.209 -8.027 1.00 2.93 H new ATOM 0 HG LEU A 612 6.837 -5.411 -5.135 1.00 2.26 H new ATOM 0 HD11 LEU A 612 8.425 -3.462 -4.836 1.00 2.95 H new ATOM 0 HD12 LEU A 612 9.289 -4.907 -5.414 1.00 2.95 H new ATOM 0 HD13 LEU A 612 8.881 -3.599 -6.551 1.00 2.95 H new ATOM 0 HD21 LEU A 612 6.133 -3.043 -5.439 1.00 1.24 H new ATOM 0 HD22 LEU A 612 6.616 -3.127 -7.150 1.00 1.24 H new ATOM 0 HD23 LEU A 612 5.268 -4.126 -6.557 1.00 1.24 H new ATOM 1256 N LEU A 613 6.936 -8.347 -9.092 1.00 3.35 N ATOM 1257 CA LEU A 613 7.048 -9.058 -10.363 1.00 3.99 C ATOM 1258 C LEU A 613 5.750 -9.744 -10.824 1.00 4.26 C ATOM 1259 O LEU A 613 5.666 -10.138 -11.988 1.00 5.15 O ATOM 1260 CB LEU A 613 8.263 -10.007 -10.310 1.00 4.75 C ATOM 1261 CG LEU A 613 8.204 -11.324 -9.500 1.00 5.31 C ATOM 1262 CD1 LEU A 613 7.743 -11.142 -8.055 1.00 4.77 C ATOM 1263 CD2 LEU A 613 7.350 -12.420 -10.142 1.00 6.67 C ATOM 0 H LEU A 613 7.386 -8.838 -8.319 1.00 3.35 H new ATOM 0 HA LEU A 613 7.219 -8.317 -11.144 1.00 3.99 H new ATOM 0 HB2 LEU A 613 8.506 -10.274 -11.338 1.00 4.75 H new ATOM 0 HB3 LEU A 613 9.103 -9.430 -9.923 1.00 4.75 H new ATOM 0 HG LEU A 613 9.245 -11.646 -9.504 1.00 5.31 H new ATOM 0 HD11 LEU A 613 7.728 -12.110 -7.553 1.00 4.77 H new ATOM 0 HD12 LEU A 613 8.430 -10.474 -7.535 1.00 4.77 H new ATOM 0 HD13 LEU A 613 6.742 -10.712 -8.044 1.00 4.77 H new ATOM 0 HD21 LEU A 613 7.363 -13.308 -9.510 1.00 6.67 H new ATOM 0 HD22 LEU A 613 6.325 -12.066 -10.250 1.00 6.67 H new ATOM 0 HD23 LEU A 613 7.754 -12.668 -11.124 1.00 6.67 H new ATOM 1275 N THR A 614 4.744 -9.905 -9.950 1.00 3.68 N ATOM 1276 CA THR A 614 3.519 -10.664 -10.313 1.00 3.95 C ATOM 1277 C THR A 614 2.572 -9.954 -11.292 1.00 4.12 C ATOM 1278 O THR A 614 2.624 -8.731 -11.480 1.00 4.17 O ATOM 1279 CB THR A 614 2.689 -11.082 -9.089 1.00 3.99 C ATOM 1280 OG1 THR A 614 2.152 -9.952 -8.436 1.00 4.32 O ATOM 1281 CG2 THR A 614 3.488 -11.925 -8.104 1.00 4.06 C ATOM 0 H THR A 614 4.745 -9.530 -9.001 1.00 3.68 H new ATOM 0 HA THR A 614 3.933 -11.538 -10.816 1.00 3.95 H new ATOM 0 HB THR A 614 1.873 -11.701 -9.462 1.00 3.99 H new ATOM 0 HG1 THR A 614 2.787 -9.631 -7.762 1.00 4.32 H new ATOM 0 HG21 THR A 614 2.855 -12.193 -7.258 1.00 4.06 H new ATOM 0 HG22 THR A 614 3.836 -12.832 -8.599 1.00 4.06 H new ATOM 0 HG23 THR A 614 4.346 -11.354 -7.749 1.00 4.06 H new ATOM 1289 N ARG A 615 1.648 -10.745 -11.863 1.00 4.35 N ATOM 1290 CA ARG A 615 0.340 -10.327 -12.393 1.00 4.29 C ATOM 1291 C ARG A 615 -0.763 -11.253 -11.835 1.00 3.82 C ATOM 1292 O ARG A 615 -0.870 -12.410 -12.251 1.00 4.59 O ATOM 1293 CB ARG A 615 0.347 -10.332 -13.939 1.00 5.28 C ATOM 1294 CG ARG A 615 1.315 -9.343 -14.619 1.00 6.33 C ATOM 1295 CD ARG A 615 2.741 -9.872 -14.848 1.00 6.19 C ATOM 1296 NE ARG A 615 2.773 -11.035 -15.756 1.00 6.42 N ATOM 1297 CZ ARG A 615 3.001 -11.032 -17.057 1.00 7.39 C ATOM 1298 NH1 ARG A 615 3.118 -9.930 -17.742 1.00 8.20 N ATOM 1299 NH2 ARG A 615 3.104 -12.154 -17.708 1.00 7.94 N ATOM 0 H ARG A 615 1.802 -11.747 -11.973 1.00 4.35 H new ATOM 0 HA ARG A 615 0.134 -9.306 -12.072 1.00 4.29 H new ATOM 0 HB2 ARG A 615 0.592 -11.339 -14.277 1.00 5.28 H new ATOM 0 HB3 ARG A 615 -0.663 -10.116 -14.287 1.00 5.28 H new ATOM 0 HG2 ARG A 615 0.894 -9.052 -15.581 1.00 6.33 H new ATOM 0 HG3 ARG A 615 1.373 -8.441 -14.010 1.00 6.33 H new ATOM 0 HD2 ARG A 615 3.359 -9.075 -15.262 1.00 6.19 H new ATOM 0 HD3 ARG A 615 3.180 -10.151 -13.890 1.00 6.19 H new ATOM 0 HE ARG A 615 2.599 -11.945 -15.330 1.00 6.42 H new ATOM 0 HH11 ARG A 615 3.034 -9.027 -17.274 1.00 8.20 H new ATOM 0 HH12 ARG A 615 3.294 -9.970 -18.746 1.00 8.20 H new ATOM 0 HH21 ARG A 615 3.009 -13.041 -17.214 1.00 7.94 H new ATOM 0 HH22 ARG A 615 3.280 -12.146 -18.713 1.00 7.94 H new ATOM 1313 N GLY A 616 -1.590 -10.777 -10.898 1.00 2.96 N ATOM 1314 CA GLY A 616 -2.672 -11.556 -10.266 1.00 2.54 C ATOM 1315 C GLY A 616 -3.723 -10.708 -9.530 1.00 2.45 C ATOM 1316 O GLY A 616 -3.503 -9.518 -9.296 1.00 3.06 O ATOM 0 H GLY A 616 -1.529 -9.821 -10.548 1.00 2.96 H new ATOM 0 HA2 GLY A 616 -3.173 -12.147 -11.033 1.00 2.54 H new ATOM 0 HA3 GLY A 616 -2.231 -12.259 -9.559 1.00 2.54 H new ATOM 1320 N ARG A 617 -4.872 -11.307 -9.184 1.00 2.00 N ATOM 1321 CA ARG A 617 -5.852 -10.773 -8.208 1.00 1.87 C ATOM 1322 C ARG A 617 -5.392 -10.955 -6.753 1.00 2.02 C ATOM 1323 O ARG A 617 -4.743 -11.960 -6.434 1.00 2.46 O ATOM 1324 CB ARG A 617 -7.199 -11.494 -8.381 1.00 1.93 C ATOM 1325 CG ARG A 617 -7.908 -11.070 -9.672 1.00 2.26 C ATOM 1326 CD ARG A 617 -9.206 -11.851 -9.903 1.00 1.64 C ATOM 1327 NE ARG A 617 -8.944 -13.260 -10.259 1.00 2.06 N ATOM 1328 CZ ARG A 617 -9.827 -14.243 -10.221 1.00 2.93 C ATOM 1329 NH1 ARG A 617 -11.060 -14.093 -9.840 1.00 3.50 N ATOM 1330 NH2 ARG A 617 -9.515 -15.445 -10.596 1.00 4.09 N ATOM 0 H ARG A 617 -5.159 -12.201 -9.582 1.00 2.00 H new ATOM 0 HA ARG A 617 -5.947 -9.705 -8.406 1.00 1.87 H new ATOM 0 HB2 ARG A 617 -7.036 -12.572 -8.393 1.00 1.93 H new ATOM 0 HB3 ARG A 617 -7.840 -11.278 -7.526 1.00 1.93 H new ATOM 0 HG2 ARG A 617 -8.130 -10.004 -9.629 1.00 2.26 H new ATOM 0 HG3 ARG A 617 -7.239 -11.222 -10.519 1.00 2.26 H new ATOM 0 HD2 ARG A 617 -9.819 -11.812 -9.002 1.00 1.64 H new ATOM 0 HD3 ARG A 617 -9.779 -11.376 -10.699 1.00 1.64 H new ATOM 0 HE ARG A 617 -7.999 -13.495 -10.561 1.00 2.06 H new ATOM 0 HH11 ARG A 617 -11.395 -13.175 -9.548 1.00 3.50 H new ATOM 0 HH12 ARG A 617 -11.693 -14.893 -9.833 1.00 3.50 H new ATOM 0 HH21 ARG A 617 -8.572 -15.647 -10.929 1.00 4.09 H new ATOM 0 HH22 ARG A 617 -10.213 -16.188 -10.558 1.00 4.09 H new ATOM 1344 N ARG A 618 -5.764 -10.035 -5.854 1.00 1.90 N ATOM 1345 CA ARG A 618 -5.875 -10.295 -4.400 1.00 1.88 C ATOM 1346 C ARG A 618 -7.131 -9.658 -3.791 1.00 2.08 C ATOM 1347 O ARG A 618 -7.293 -8.442 -3.880 1.00 2.83 O ATOM 1348 CB ARG A 618 -4.573 -9.890 -3.678 1.00 2.13 C ATOM 1349 CG ARG A 618 -4.568 -10.388 -2.226 1.00 2.44 C ATOM 1350 CD ARG A 618 -3.231 -10.191 -1.508 1.00 2.86 C ATOM 1351 NE ARG A 618 -3.295 -10.726 -0.139 1.00 4.11 N ATOM 1352 CZ ARG A 618 -2.309 -10.757 0.734 1.00 5.26 C ATOM 1353 NH1 ARG A 618 -1.123 -10.316 0.444 1.00 5.62 N ATOM 1354 NH2 ARG A 618 -2.530 -11.225 1.927 1.00 6.53 N ATOM 0 H ARG A 618 -6.000 -9.077 -6.111 1.00 1.90 H new ATOM 0 HA ARG A 618 -6.001 -11.368 -4.253 1.00 1.88 H new ATOM 0 HB2 ARG A 618 -3.715 -10.302 -4.210 1.00 2.13 H new ATOM 0 HB3 ARG A 618 -4.467 -8.805 -3.694 1.00 2.13 H new ATOM 0 HG2 ARG A 618 -5.348 -9.867 -1.671 1.00 2.44 H new ATOM 0 HG3 ARG A 618 -4.823 -11.448 -2.215 1.00 2.44 H new ATOM 0 HD2 ARG A 618 -2.437 -10.691 -2.063 1.00 2.86 H new ATOM 0 HD3 ARG A 618 -2.981 -9.131 -1.479 1.00 2.86 H new ATOM 0 HE ARG A 618 -4.190 -11.110 0.164 1.00 4.11 H new ATOM 0 HH11 ARG A 618 -0.934 -9.932 -0.482 1.00 5.62 H new ATOM 0 HH12 ARG A 618 -0.380 -10.354 1.142 1.00 5.62 H new ATOM 0 HH21 ARG A 618 -3.459 -11.563 2.178 1.00 6.53 H new ATOM 0 HH22 ARG A 618 -1.774 -11.254 2.611 1.00 6.53 H new ATOM 1368 N THR A 619 -7.999 -10.442 -3.143 1.00 1.81 N ATOM 1369 CA THR A 619 -9.294 -9.961 -2.602 1.00 1.81 C ATOM 1370 C THR A 619 -9.282 -9.684 -1.089 1.00 1.48 C ATOM 1371 O THR A 619 -8.519 -10.296 -0.336 1.00 1.51 O ATOM 1372 CB THR A 619 -10.458 -10.876 -3.028 1.00 2.21 C ATOM 1373 OG1 THR A 619 -11.681 -10.188 -2.874 1.00 2.98 O ATOM 1374 CG2 THR A 619 -10.558 -12.175 -2.231 1.00 2.74 C ATOM 0 H THR A 619 -7.831 -11.434 -2.973 1.00 1.81 H new ATOM 0 HA THR A 619 -9.460 -8.984 -3.055 1.00 1.81 H new ATOM 0 HB THR A 619 -10.256 -11.140 -4.066 1.00 2.21 H new ATOM 0 HG1 THR A 619 -12.421 -10.770 -3.147 1.00 2.98 H new ATOM 0 HG21 THR A 619 -11.403 -12.760 -2.594 1.00 2.74 H new ATOM 0 HG22 THR A 619 -9.639 -12.749 -2.354 1.00 2.74 H new ATOM 0 HG23 THR A 619 -10.703 -11.944 -1.176 1.00 2.74 H new ATOM 1382 N ALA A 620 -10.126 -8.745 -0.642 1.00 1.36 N ATOM 1383 CA ALA A 620 -10.318 -8.348 0.760 1.00 1.19 C ATOM 1384 C ALA A 620 -11.739 -7.799 1.037 1.00 1.16 C ATOM 1385 O ALA A 620 -12.480 -7.452 0.107 1.00 1.47 O ATOM 1386 CB ALA A 620 -9.266 -7.280 1.102 1.00 1.47 C ATOM 0 H ALA A 620 -10.722 -8.216 -1.278 1.00 1.36 H new ATOM 0 HA ALA A 620 -10.201 -9.232 1.387 1.00 1.19 H new ATOM 0 HB1 ALA A 620 -9.388 -6.968 2.139 1.00 1.47 H new ATOM 0 HB2 ALA A 620 -8.268 -7.695 0.963 1.00 1.47 H new ATOM 0 HB3 ALA A 620 -9.396 -6.419 0.447 1.00 1.47 H new ATOM 1392 N SER A 621 -12.087 -7.641 2.318 1.00 1.08 N ATOM 1393 CA SER A 621 -13.305 -6.962 2.794 1.00 1.15 C ATOM 1394 C SER A 621 -12.960 -5.957 3.898 1.00 1.08 C ATOM 1395 O SER A 621 -12.632 -6.334 5.018 1.00 1.13 O ATOM 1396 CB SER A 621 -14.338 -7.986 3.286 1.00 1.34 C ATOM 1397 OG SER A 621 -14.994 -8.584 2.178 1.00 1.81 O ATOM 0 H SER A 621 -11.511 -7.993 3.082 1.00 1.08 H new ATOM 0 HA SER A 621 -13.745 -6.414 1.961 1.00 1.15 H new ATOM 0 HB2 SER A 621 -13.846 -8.752 3.885 1.00 1.34 H new ATOM 0 HB3 SER A 621 -15.068 -7.497 3.931 1.00 1.34 H new ATOM 0 HG SER A 621 -15.650 -9.237 2.500 1.00 1.81 H new ATOM 1403 N VAL A 622 -12.998 -4.657 3.590 1.00 0.99 N ATOM 1404 CA VAL A 622 -12.608 -3.590 4.533 1.00 0.92 C ATOM 1405 C VAL A 622 -13.360 -2.276 4.262 1.00 0.90 C ATOM 1406 O VAL A 622 -13.616 -1.934 3.102 1.00 0.90 O ATOM 1407 CB VAL A 622 -11.066 -3.440 4.535 1.00 0.85 C ATOM 1408 CG1 VAL A 622 -10.446 -3.363 3.136 1.00 0.82 C ATOM 1409 CG2 VAL A 622 -10.573 -2.260 5.374 1.00 0.83 C ATOM 0 H VAL A 622 -13.300 -4.309 2.680 1.00 0.99 H new ATOM 0 HA VAL A 622 -12.908 -3.873 5.542 1.00 0.92 H new ATOM 0 HB VAL A 622 -10.724 -4.364 5.001 1.00 0.85 H new ATOM 0 HG11 VAL A 622 -9.364 -3.259 3.223 1.00 0.82 H new ATOM 0 HG12 VAL A 622 -10.680 -4.273 2.584 1.00 0.82 H new ATOM 0 HG13 VAL A 622 -10.852 -2.502 2.605 1.00 0.82 H new ATOM 0 HG21 VAL A 622 -9.485 -2.213 5.332 1.00 0.83 H new ATOM 0 HG22 VAL A 622 -10.992 -1.334 4.981 1.00 0.83 H new ATOM 0 HG23 VAL A 622 -10.891 -2.391 6.408 1.00 0.83 H new ATOM 1419 N ARG A 623 -13.721 -1.536 5.323 1.00 0.94 N ATOM 1420 CA ARG A 623 -14.456 -0.254 5.270 1.00 0.95 C ATOM 1421 C ARG A 623 -13.859 0.812 6.197 1.00 0.92 C ATOM 1422 O ARG A 623 -13.112 0.502 7.122 1.00 0.93 O ATOM 1423 CB ARG A 623 -15.963 -0.496 5.517 1.00 1.10 C ATOM 1424 CG ARG A 623 -16.324 -0.790 6.982 1.00 1.24 C ATOM 1425 CD ARG A 623 -17.698 -1.467 7.141 1.00 1.20 C ATOM 1426 NE ARG A 623 -18.810 -0.617 6.673 1.00 1.70 N ATOM 1427 CZ ARG A 623 -20.098 -0.747 6.943 1.00 2.40 C ATOM 1428 NH1 ARG A 623 -20.594 -1.718 7.659 1.00 2.55 N ATOM 1429 NH2 ARG A 623 -20.922 0.140 6.470 1.00 3.48 N ATOM 0 H ARG A 623 -13.503 -1.821 6.278 1.00 0.94 H new ATOM 0 HA ARG A 623 -14.345 0.158 4.267 1.00 0.95 H new ATOM 0 HB2 ARG A 623 -16.519 0.382 5.187 1.00 1.10 H new ATOM 0 HB3 ARG A 623 -16.291 -1.332 4.899 1.00 1.10 H new ATOM 0 HG2 ARG A 623 -15.557 -1.431 7.417 1.00 1.24 H new ATOM 0 HG3 ARG A 623 -16.318 0.143 7.546 1.00 1.24 H new ATOM 0 HD2 ARG A 623 -17.703 -2.404 6.584 1.00 1.20 H new ATOM 0 HD3 ARG A 623 -17.855 -1.719 8.190 1.00 1.20 H new ATOM 0 HE ARG A 623 -18.555 0.164 6.069 1.00 1.70 H new ATOM 0 HH11 ARG A 623 -19.978 -2.433 8.046 1.00 2.55 H new ATOM 0 HH12 ARG A 623 -21.598 -1.763 7.832 1.00 2.55 H new ATOM 0 HH21 ARG A 623 -20.570 0.913 5.905 1.00 3.48 H new ATOM 0 HH22 ARG A 623 -21.921 0.063 6.664 1.00 3.48 H new ATOM 1443 N ALA A 624 -14.163 2.079 5.946 1.00 0.95 N ATOM 1444 CA ALA A 624 -13.597 3.209 6.688 1.00 0.95 C ATOM 1445 C ALA A 624 -14.333 3.478 8.019 1.00 1.03 C ATOM 1446 O ALA A 624 -15.561 3.505 8.046 1.00 1.14 O ATOM 1447 CB ALA A 624 -13.586 4.432 5.765 1.00 0.99 C ATOM 0 H ALA A 624 -14.816 2.359 5.214 1.00 0.95 H new ATOM 0 HA ALA A 624 -12.576 2.969 6.983 1.00 0.95 H new ATOM 0 HB1 ALA A 624 -13.168 5.286 6.298 1.00 0.99 H new ATOM 0 HB2 ALA A 624 -12.977 4.219 4.886 1.00 0.99 H new ATOM 0 HB3 ALA A 624 -14.605 4.662 5.454 1.00 0.99 H new ATOM 1453 N ASP A 625 -13.603 3.741 9.113 1.00 1.04 N ATOM 1454 CA ASP A 625 -14.198 4.149 10.409 1.00 1.19 C ATOM 1455 C ASP A 625 -14.641 5.623 10.399 1.00 1.13 C ATOM 1456 O ASP A 625 -15.470 6.072 11.194 1.00 1.29 O ATOM 1457 CB ASP A 625 -13.139 3.983 11.516 1.00 1.33 C ATOM 1458 CG ASP A 625 -13.737 4.019 12.929 1.00 1.97 C ATOM 1459 OD1 ASP A 625 -14.386 3.038 13.353 1.00 2.00 O ATOM 1460 OD2 ASP A 625 -13.547 5.036 13.638 1.00 3.30 O ATOM 0 H ASP A 625 -12.585 3.679 9.132 1.00 1.04 H new ATOM 0 HA ASP A 625 -15.072 3.522 10.586 1.00 1.19 H new ATOM 0 HB2 ASP A 625 -12.617 3.037 11.373 1.00 1.33 H new ATOM 0 HB3 ASP A 625 -12.396 4.775 11.422 1.00 1.33 H new ATOM 1465 N THR A 626 -13.994 6.393 9.529 1.00 0.98 N ATOM 1466 CA THR A 626 -13.833 7.852 9.587 1.00 1.04 C ATOM 1467 C THR A 626 -13.479 8.378 8.185 1.00 0.91 C ATOM 1468 O THR A 626 -13.249 7.583 7.273 1.00 0.82 O ATOM 1469 CB THR A 626 -12.743 8.190 10.628 1.00 1.19 C ATOM 1470 OG1 THR A 626 -12.499 9.574 10.721 1.00 1.34 O ATOM 1471 CG2 THR A 626 -11.409 7.501 10.351 1.00 1.12 C ATOM 0 H THR A 626 -13.537 5.994 8.710 1.00 0.98 H new ATOM 0 HA THR A 626 -14.759 8.337 9.897 1.00 1.04 H new ATOM 0 HB THR A 626 -13.150 7.818 11.568 1.00 1.19 H new ATOM 0 HG1 THR A 626 -11.804 9.739 11.392 1.00 1.34 H new ATOM 0 HG21 THR A 626 -10.688 7.781 11.119 1.00 1.12 H new ATOM 0 HG22 THR A 626 -11.549 6.420 10.362 1.00 1.12 H new ATOM 0 HG23 THR A 626 -11.036 7.809 9.374 1.00 1.12 H new ATOM 1479 N TYR A 627 -13.427 9.697 7.981 1.00 0.93 N ATOM 1480 CA TYR A 627 -12.958 10.314 6.739 1.00 0.83 C ATOM 1481 C TYR A 627 -11.442 10.047 6.605 1.00 0.85 C ATOM 1482 O TYR A 627 -10.621 10.669 7.283 1.00 1.08 O ATOM 1483 CB TYR A 627 -13.356 11.797 6.799 1.00 0.89 C ATOM 1484 CG TYR A 627 -13.150 12.669 5.569 1.00 1.19 C ATOM 1485 CD1 TYR A 627 -11.855 12.939 5.083 1.00 2.10 C ATOM 1486 CD2 TYR A 627 -14.258 13.317 4.988 1.00 2.55 C ATOM 1487 CE1 TYR A 627 -11.671 13.835 4.011 1.00 2.33 C ATOM 1488 CE2 TYR A 627 -14.077 14.218 3.917 1.00 3.25 C ATOM 1489 CZ TYR A 627 -12.780 14.486 3.431 1.00 2.54 C ATOM 1490 OH TYR A 627 -12.597 15.372 2.416 1.00 3.25 O ATOM 0 H TYR A 627 -13.714 10.376 8.686 1.00 0.93 H new ATOM 0 HA TYR A 627 -13.410 9.897 5.839 1.00 0.83 H new ATOM 0 HB2 TYR A 627 -14.413 11.843 7.061 1.00 0.89 H new ATOM 0 HB3 TYR A 627 -12.804 12.252 7.621 1.00 0.89 H new ATOM 0 HD1 TYR A 627 -11.000 12.457 5.534 1.00 2.10 H new ATOM 0 HD2 TYR A 627 -15.252 13.123 5.364 1.00 2.55 H new ATOM 0 HE1 TYR A 627 -10.677 14.024 3.632 1.00 2.33 H new ATOM 0 HE2 TYR A 627 -14.932 14.703 3.469 1.00 3.25 H new ATOM 0 HH TYR A 627 -13.465 15.728 2.132 1.00 3.25 H new ATOM 1500 N CYS A 628 -11.069 9.065 5.781 1.00 0.73 N ATOM 1501 CA CYS A 628 -9.725 8.490 5.718 1.00 0.73 C ATOM 1502 C CYS A 628 -9.042 8.798 4.380 1.00 0.74 C ATOM 1503 O CYS A 628 -9.588 8.509 3.308 1.00 0.78 O ATOM 1504 CB CYS A 628 -9.811 6.979 5.992 1.00 0.71 C ATOM 1505 SG CYS A 628 -8.174 6.309 6.373 1.00 2.61 S ATOM 0 H CYS A 628 -11.715 8.635 5.119 1.00 0.73 H new ATOM 0 HA CYS A 628 -9.101 8.948 6.486 1.00 0.73 H new ATOM 0 HB2 CYS A 628 -10.489 6.793 6.825 1.00 0.71 H new ATOM 0 HB3 CYS A 628 -10.226 6.469 5.123 1.00 0.71 H new ATOM 0 HG CYS A 628 -8.270 5.033 6.603 1.00 2.61 H new ATOM 1511 N ARG A 629 -7.822 9.348 4.455 1.00 0.83 N ATOM 1512 CA ARG A 629 -6.912 9.539 3.319 1.00 0.97 C ATOM 1513 C ARG A 629 -6.091 8.274 3.101 1.00 0.97 C ATOM 1514 O ARG A 629 -5.311 7.868 3.967 1.00 1.00 O ATOM 1515 CB ARG A 629 -5.995 10.760 3.534 1.00 1.29 C ATOM 1516 CG ARG A 629 -6.765 12.092 3.593 1.00 1.39 C ATOM 1517 CD ARG A 629 -6.234 13.149 2.606 1.00 1.71 C ATOM 1518 NE ARG A 629 -5.244 14.059 3.211 1.00 2.08 N ATOM 1519 CZ ARG A 629 -4.337 14.784 2.578 1.00 3.28 C ATOM 1520 NH1 ARG A 629 -3.968 14.576 1.349 1.00 4.62 N ATOM 1521 NH2 ARG A 629 -3.756 15.781 3.169 1.00 3.62 N ATOM 0 H ARG A 629 -7.430 9.682 5.335 1.00 0.83 H new ATOM 0 HA ARG A 629 -7.507 9.734 2.427 1.00 0.97 H new ATOM 0 HB2 ARG A 629 -5.437 10.629 4.461 1.00 1.29 H new ATOM 0 HB3 ARG A 629 -5.265 10.805 2.726 1.00 1.29 H new ATOM 0 HG2 ARG A 629 -7.818 11.904 3.382 1.00 1.39 H new ATOM 0 HG3 ARG A 629 -6.709 12.491 4.606 1.00 1.39 H new ATOM 0 HD2 ARG A 629 -5.781 12.645 1.752 1.00 1.71 H new ATOM 0 HD3 ARG A 629 -7.071 13.734 2.224 1.00 1.71 H new ATOM 0 HE ARG A 629 -5.261 14.138 4.228 1.00 2.08 H new ATOM 0 HH11 ARG A 629 -4.385 13.815 0.813 1.00 4.62 H new ATOM 0 HH12 ARG A 629 -3.262 15.174 0.920 1.00 4.62 H new ATOM 0 HH21 ARG A 629 -3.997 16.013 4.132 1.00 3.62 H new ATOM 0 HH22 ARG A 629 -3.058 16.333 2.670 1.00 3.62 H new ATOM 1535 N LEU A 630 -6.225 7.692 1.918 1.00 0.99 N ATOM 1536 CA LEU A 630 -5.397 6.598 1.426 1.00 0.99 C ATOM 1537 C LEU A 630 -4.429 7.116 0.353 1.00 0.98 C ATOM 1538 O LEU A 630 -4.710 8.114 -0.305 1.00 1.11 O ATOM 1539 CB LEU A 630 -6.290 5.473 0.872 1.00 1.01 C ATOM 1540 CG LEU A 630 -7.357 4.932 1.843 1.00 1.03 C ATOM 1541 CD1 LEU A 630 -8.050 3.739 1.185 1.00 1.05 C ATOM 1542 CD2 LEU A 630 -6.763 4.477 3.178 1.00 1.16 C ATOM 0 H LEU A 630 -6.940 7.979 1.249 1.00 0.99 H new ATOM 0 HA LEU A 630 -4.807 6.191 2.248 1.00 0.99 H new ATOM 0 HB2 LEU A 630 -6.792 5.839 -0.024 1.00 1.01 H new ATOM 0 HB3 LEU A 630 -5.652 4.645 0.564 1.00 1.01 H new ATOM 0 HG LEU A 630 -8.056 5.742 2.053 1.00 1.03 H new ATOM 0 HD11 LEU A 630 -8.810 3.342 1.859 1.00 1.05 H new ATOM 0 HD12 LEU A 630 -8.521 4.059 0.255 1.00 1.05 H new ATOM 0 HD13 LEU A 630 -7.314 2.964 0.971 1.00 1.05 H new ATOM 0 HD21 LEU A 630 -7.559 4.105 3.823 1.00 1.16 H new ATOM 0 HD22 LEU A 630 -6.038 3.682 3.002 1.00 1.16 H new ATOM 0 HD23 LEU A 630 -6.268 5.319 3.662 1.00 1.16 H new ATOM 1554 N TYR A 631 -3.311 6.426 0.144 1.00 0.88 N ATOM 1555 CA TYR A 631 -2.409 6.678 -0.992 1.00 0.91 C ATOM 1556 C TYR A 631 -2.675 5.662 -2.121 1.00 1.01 C ATOM 1557 O TYR A 631 -3.294 4.625 -1.862 1.00 1.26 O ATOM 1558 CB TYR A 631 -0.944 6.778 -0.490 1.00 1.18 C ATOM 1559 CG TYR A 631 0.134 5.756 -0.872 1.00 2.63 C ATOM 1560 CD1 TYR A 631 -0.119 4.396 -1.158 1.00 4.18 C ATOM 1561 CD2 TYR A 631 1.474 6.183 -0.809 1.00 3.33 C ATOM 1562 CE1 TYR A 631 0.932 3.520 -1.482 1.00 5.67 C ATOM 1563 CE2 TYR A 631 2.537 5.312 -1.121 1.00 4.77 C ATOM 1564 CZ TYR A 631 2.265 3.975 -1.473 1.00 5.77 C ATOM 1565 OH TYR A 631 3.275 3.119 -1.778 1.00 7.32 O ATOM 0 H TYR A 631 -2.998 5.672 0.756 1.00 0.88 H new ATOM 0 HA TYR A 631 -2.610 7.646 -1.451 1.00 0.91 H new ATOM 0 HB2 TYR A 631 -0.573 7.753 -0.805 1.00 1.18 H new ATOM 0 HB3 TYR A 631 -0.989 6.791 0.599 1.00 1.18 H new ATOM 0 HD1 TYR A 631 -1.133 4.024 -1.127 1.00 4.18 H new ATOM 0 HD2 TYR A 631 1.692 7.199 -0.515 1.00 3.33 H new ATOM 0 HE1 TYR A 631 0.716 2.493 -1.739 1.00 5.67 H new ATOM 0 HE2 TYR A 631 3.556 5.668 -1.090 1.00 4.77 H new ATOM 0 HH TYR A 631 4.132 3.592 -1.726 1.00 7.32 H new ATOM 1575 N SER A 632 -2.191 5.911 -3.340 1.00 0.94 N ATOM 1576 CA SER A 632 -2.251 4.959 -4.462 1.00 1.10 C ATOM 1577 C SER A 632 -0.985 5.014 -5.339 1.00 1.06 C ATOM 1578 O SER A 632 -0.729 6.016 -6.012 1.00 1.20 O ATOM 1579 CB SER A 632 -3.527 5.221 -5.282 1.00 1.28 C ATOM 1580 OG SER A 632 -3.606 6.565 -5.725 1.00 2.34 O ATOM 0 H SER A 632 -1.739 6.792 -3.584 1.00 0.94 H new ATOM 0 HA SER A 632 -2.290 3.947 -4.058 1.00 1.10 H new ATOM 0 HB2 SER A 632 -3.548 4.553 -6.143 1.00 1.28 H new ATOM 0 HB3 SER A 632 -4.402 4.987 -4.676 1.00 1.28 H new ATOM 0 HG SER A 632 -4.428 6.691 -6.243 1.00 2.34 H new ATOM 1586 N LEU A 633 -0.193 3.930 -5.374 1.00 0.98 N ATOM 1587 CA LEU A 633 1.060 3.841 -6.146 1.00 1.03 C ATOM 1588 C LEU A 633 1.138 2.541 -6.975 1.00 0.94 C ATOM 1589 O LEU A 633 0.931 1.443 -6.452 1.00 0.88 O ATOM 1590 CB LEU A 633 2.256 3.991 -5.183 1.00 1.14 C ATOM 1591 CG LEU A 633 3.608 4.483 -5.765 1.00 1.37 C ATOM 1592 CD1 LEU A 633 4.605 3.328 -5.871 1.00 2.56 C ATOM 1593 CD2 LEU A 633 3.572 5.187 -7.129 1.00 2.39 C ATOM 0 H LEU A 633 -0.408 3.076 -4.859 1.00 0.98 H new ATOM 0 HA LEU A 633 1.089 4.654 -6.871 1.00 1.03 H new ATOM 0 HB2 LEU A 633 1.963 4.682 -4.393 1.00 1.14 H new ATOM 0 HB3 LEU A 633 2.428 3.023 -4.713 1.00 1.14 H new ATOM 0 HG LEU A 633 3.909 5.243 -5.044 1.00 1.37 H new ATOM 0 HD11 LEU A 633 5.546 3.696 -6.281 1.00 2.56 H new ATOM 0 HD12 LEU A 633 4.781 2.907 -4.881 1.00 2.56 H new ATOM 0 HD13 LEU A 633 4.200 2.557 -6.526 1.00 2.56 H new ATOM 0 HD21 LEU A 633 4.583 5.478 -7.415 1.00 2.39 H new ATOM 0 HD22 LEU A 633 3.164 4.509 -7.878 1.00 2.39 H new ATOM 0 HD23 LEU A 633 2.944 6.075 -7.063 1.00 2.39 H new ATOM 1605 N SER A 634 1.452 2.653 -8.269 1.00 1.04 N ATOM 1606 CA SER A 634 1.584 1.484 -9.169 1.00 1.05 C ATOM 1607 C SER A 634 2.892 0.700 -8.969 1.00 0.95 C ATOM 1608 O SER A 634 3.974 1.287 -8.876 1.00 0.89 O ATOM 1609 CB SER A 634 1.416 1.870 -10.644 1.00 1.26 C ATOM 1610 OG SER A 634 1.566 0.704 -11.438 1.00 2.64 O ATOM 0 H SER A 634 1.623 3.548 -8.728 1.00 1.04 H new ATOM 0 HA SER A 634 0.767 0.819 -8.888 1.00 1.05 H new ATOM 0 HB2 SER A 634 0.435 2.316 -10.809 1.00 1.26 H new ATOM 0 HB3 SER A 634 2.158 2.617 -10.926 1.00 1.26 H new ATOM 0 HG SER A 634 1.459 0.936 -12.384 1.00 2.64 H new ATOM 1616 N VAL A 635 2.830 -0.641 -9.006 1.00 1.04 N ATOM 1617 CA VAL A 635 4.045 -1.486 -8.996 1.00 1.12 C ATOM 1618 C VAL A 635 4.900 -1.278 -10.240 1.00 1.13 C ATOM 1619 O VAL A 635 6.101 -1.484 -10.172 1.00 1.22 O ATOM 1620 CB VAL A 635 3.777 -2.989 -8.794 1.00 1.30 C ATOM 1621 CG1 VAL A 635 2.897 -3.232 -7.573 1.00 1.59 C ATOM 1622 CG2 VAL A 635 3.179 -3.717 -9.990 1.00 1.77 C ATOM 0 H VAL A 635 1.956 -1.166 -9.043 1.00 1.04 H new ATOM 0 HA VAL A 635 4.595 -1.146 -8.119 1.00 1.12 H new ATOM 0 HB VAL A 635 4.771 -3.412 -8.649 1.00 1.30 H new ATOM 0 HG11 VAL A 635 2.725 -4.302 -7.456 1.00 1.59 H new ATOM 0 HG12 VAL A 635 3.394 -2.845 -6.683 1.00 1.59 H new ATOM 0 HG13 VAL A 635 1.942 -2.723 -7.706 1.00 1.59 H new ATOM 0 HG21 VAL A 635 3.031 -4.768 -9.740 1.00 1.77 H new ATOM 0 HG22 VAL A 635 2.220 -3.267 -10.248 1.00 1.77 H new ATOM 0 HG23 VAL A 635 3.857 -3.638 -10.840 1.00 1.77 H new ATOM 1632 N ASP A 636 4.351 -0.813 -11.362 1.00 1.11 N ATOM 1633 CA ASP A 636 5.156 -0.475 -12.546 1.00 1.23 C ATOM 1634 C ASP A 636 6.017 0.784 -12.344 1.00 1.07 C ATOM 1635 O ASP A 636 7.016 0.950 -13.047 1.00 1.25 O ATOM 1636 CB ASP A 636 4.229 -0.289 -13.743 1.00 1.43 C ATOM 1637 CG ASP A 636 3.690 -1.627 -14.262 1.00 2.09 C ATOM 1638 OD1 ASP A 636 4.470 -2.381 -14.901 1.00 3.17 O ATOM 1639 OD2 ASP A 636 2.495 -1.941 -14.048 1.00 2.16 O ATOM 0 H ASP A 636 3.350 -0.660 -11.480 1.00 1.11 H new ATOM 0 HA ASP A 636 5.847 -1.300 -12.722 1.00 1.23 H new ATOM 0 HB2 ASP A 636 3.395 0.353 -13.460 1.00 1.43 H new ATOM 0 HB3 ASP A 636 4.766 0.221 -14.543 1.00 1.43 H new ATOM 1644 N ASN A 637 5.671 1.644 -11.376 1.00 0.89 N ATOM 1645 CA ASN A 637 6.532 2.724 -10.878 1.00 0.82 C ATOM 1646 C ASN A 637 7.483 2.223 -9.781 1.00 0.79 C ATOM 1647 O ASN A 637 8.646 2.608 -9.765 1.00 0.98 O ATOM 1648 CB ASN A 637 5.666 3.898 -10.395 1.00 0.90 C ATOM 1649 CG ASN A 637 4.878 4.514 -11.530 1.00 1.23 C ATOM 1650 OD1 ASN A 637 3.659 4.484 -11.572 1.00 2.16 O ATOM 1651 ND2 ASN A 637 5.529 5.080 -12.509 1.00 1.22 N ATOM 0 H ASN A 637 4.765 1.607 -10.908 1.00 0.89 H new ATOM 0 HA ASN A 637 7.161 3.077 -11.695 1.00 0.82 H new ATOM 0 HB2 ASN A 637 4.980 3.551 -9.622 1.00 0.90 H new ATOM 0 HB3 ASN A 637 6.302 4.657 -9.940 1.00 0.90 H new ATOM 0 HD21 ASN A 637 5.019 5.488 -13.292 1.00 1.22 H new ATOM 0 HD22 ASN A 637 6.548 5.115 -12.491 1.00 1.22 H new ATOM 1658 N PHE A 638 7.030 1.299 -8.929 1.00 0.69 N ATOM 1659 CA PHE A 638 7.841 0.646 -7.883 1.00 0.71 C ATOM 1660 C PHE A 638 9.013 -0.153 -8.494 1.00 0.80 C ATOM 1661 O PHE A 638 10.167 0.049 -8.125 1.00 0.83 O ATOM 1662 CB PHE A 638 6.924 -0.194 -6.992 1.00 0.83 C ATOM 1663 CG PHE A 638 7.410 -0.449 -5.570 1.00 1.01 C ATOM 1664 CD1 PHE A 638 8.723 -0.890 -5.307 1.00 1.75 C ATOM 1665 CD2 PHE A 638 6.507 -0.312 -4.496 1.00 2.59 C ATOM 1666 CE1 PHE A 638 9.121 -1.213 -4.001 1.00 1.73 C ATOM 1667 CE2 PHE A 638 6.900 -0.651 -3.189 1.00 2.93 C ATOM 1668 CZ PHE A 638 8.203 -1.117 -2.947 1.00 1.69 C ATOM 0 H PHE A 638 6.064 0.972 -8.943 1.00 0.69 H new ATOM 0 HA PHE A 638 8.312 1.400 -7.252 1.00 0.71 H new ATOM 0 HB2 PHE A 638 5.954 0.300 -6.938 1.00 0.83 H new ATOM 0 HB3 PHE A 638 6.765 -1.157 -7.477 1.00 0.83 H new ATOM 0 HD1 PHE A 638 9.429 -0.980 -6.119 1.00 1.75 H new ATOM 0 HD2 PHE A 638 5.508 0.055 -4.678 1.00 2.59 H new ATOM 0 HE1 PHE A 638 10.134 -1.535 -3.808 1.00 1.73 H new ATOM 0 HE2 PHE A 638 6.201 -0.553 -2.372 1.00 2.93 H new ATOM 0 HZ PHE A 638 8.497 -1.401 -1.948 1.00 1.69 H new ATOM 1678 N ASN A 639 8.749 -0.998 -9.493 1.00 0.92 N ATOM 1679 CA ASN A 639 9.756 -1.748 -10.253 1.00 1.06 C ATOM 1680 C ASN A 639 10.695 -0.833 -11.081 1.00 1.11 C ATOM 1681 O ASN A 639 11.800 -1.241 -11.435 1.00 1.24 O ATOM 1682 CB ASN A 639 9.022 -2.735 -11.183 1.00 1.14 C ATOM 1683 CG ASN A 639 8.463 -3.956 -10.482 1.00 1.37 C ATOM 1684 OD1 ASN A 639 9.191 -4.867 -10.122 1.00 1.88 O ATOM 1685 ND2 ASN A 639 7.172 -4.036 -10.276 1.00 1.29 N ATOM 0 H ASN A 639 7.797 -1.186 -9.807 1.00 0.92 H new ATOM 0 HA ASN A 639 10.393 -2.276 -9.544 1.00 1.06 H new ATOM 0 HB2 ASN A 639 8.206 -2.210 -11.679 1.00 1.14 H new ATOM 0 HB3 ASN A 639 9.710 -3.062 -11.962 1.00 1.14 H new ATOM 0 HD21 ASN A 639 6.779 -4.857 -9.816 1.00 1.29 H new ATOM 0 HD22 ASN A 639 6.560 -3.277 -10.575 1.00 1.29 H new ATOM 1692 N GLU A 640 10.262 0.399 -11.362 1.00 1.03 N ATOM 1693 CA GLU A 640 10.977 1.449 -12.105 1.00 1.04 C ATOM 1694 C GLU A 640 11.991 2.176 -11.213 1.00 1.01 C ATOM 1695 O GLU A 640 13.150 2.340 -11.595 1.00 1.19 O ATOM 1696 CB GLU A 640 9.909 2.372 -12.730 1.00 1.03 C ATOM 1697 CG GLU A 640 10.136 3.887 -12.728 1.00 2.16 C ATOM 1698 CD GLU A 640 8.868 4.633 -13.166 1.00 3.08 C ATOM 1699 OE1 GLU A 640 8.380 4.436 -14.308 1.00 3.33 O ATOM 1700 OE2 GLU A 640 8.305 5.413 -12.362 1.00 4.60 O ATOM 0 H GLU A 640 9.341 0.714 -11.057 1.00 1.03 H new ATOM 0 HA GLU A 640 11.584 1.028 -12.906 1.00 1.04 H new ATOM 0 HB2 GLU A 640 9.774 2.062 -13.766 1.00 1.03 H new ATOM 0 HB3 GLU A 640 8.968 2.181 -12.214 1.00 1.03 H new ATOM 0 HG2 GLU A 640 10.428 4.213 -11.730 1.00 2.16 H new ATOM 0 HG3 GLU A 640 10.959 4.136 -13.398 1.00 2.16 H new ATOM 1707 N VAL A 641 11.591 2.542 -9.992 1.00 0.88 N ATOM 1708 CA VAL A 641 12.506 3.075 -8.967 1.00 0.93 C ATOM 1709 C VAL A 641 13.463 1.997 -8.438 1.00 0.95 C ATOM 1710 O VAL A 641 14.608 2.290 -8.104 1.00 1.05 O ATOM 1711 CB VAL A 641 11.725 3.809 -7.863 1.00 0.89 C ATOM 1712 CG1 VAL A 641 10.715 2.944 -7.114 1.00 0.89 C ATOM 1713 CG2 VAL A 641 12.652 4.438 -6.825 1.00 0.89 C ATOM 0 H VAL A 641 10.622 2.479 -9.681 1.00 0.88 H new ATOM 0 HA VAL A 641 13.149 3.822 -9.433 1.00 0.93 H new ATOM 0 HB VAL A 641 11.176 4.575 -8.412 1.00 0.89 H new ATOM 0 HG11 VAL A 641 10.213 3.545 -6.356 1.00 0.89 H new ATOM 0 HG12 VAL A 641 9.977 2.555 -7.816 1.00 0.89 H new ATOM 0 HG13 VAL A 641 11.232 2.113 -6.634 1.00 0.89 H new ATOM 0 HG21 VAL A 641 12.057 4.945 -6.066 1.00 0.89 H new ATOM 0 HG22 VAL A 641 13.253 3.660 -6.355 1.00 0.89 H new ATOM 0 HG23 VAL A 641 13.308 5.159 -7.313 1.00 0.89 H new ATOM 1723 N LEU A 642 13.049 0.729 -8.476 1.00 0.88 N ATOM 1724 CA LEU A 642 13.917 -0.446 -8.288 1.00 0.90 C ATOM 1725 C LEU A 642 15.179 -0.447 -9.169 1.00 0.98 C ATOM 1726 O LEU A 642 16.242 -0.876 -8.727 1.00 1.04 O ATOM 1727 CB LEU A 642 13.103 -1.701 -8.485 1.00 0.90 C ATOM 1728 CG LEU A 642 13.253 -2.587 -7.238 1.00 1.15 C ATOM 1729 CD1 LEU A 642 12.737 -2.013 -5.915 1.00 2.39 C ATOM 1730 CD2 LEU A 642 12.364 -3.744 -7.515 1.00 2.58 C ATOM 0 H LEU A 642 12.074 0.479 -8.643 1.00 0.88 H new ATOM 0 HA LEU A 642 14.297 -0.403 -7.267 1.00 0.90 H new ATOM 0 HB2 LEU A 642 12.055 -1.450 -8.646 1.00 0.90 H new ATOM 0 HB3 LEU A 642 13.443 -2.236 -9.372 1.00 0.90 H new ATOM 0 HG LEU A 642 14.319 -2.765 -7.100 1.00 1.15 H new ATOM 0 HD11 LEU A 642 12.902 -2.736 -5.116 1.00 2.39 H new ATOM 0 HD12 LEU A 642 13.270 -1.090 -5.686 1.00 2.39 H new ATOM 0 HD13 LEU A 642 11.671 -1.804 -6.000 1.00 2.39 H new ATOM 0 HD21 LEU A 642 12.401 -4.440 -6.677 1.00 2.58 H new ATOM 0 HD22 LEU A 642 11.341 -3.393 -7.650 1.00 2.58 H new ATOM 0 HD23 LEU A 642 12.697 -4.249 -8.422 1.00 2.58 H new ATOM 1742 N GLU A 643 15.070 0.058 -10.399 1.00 1.04 N ATOM 1743 CA GLU A 643 16.186 0.161 -11.353 1.00 1.17 C ATOM 1744 C GLU A 643 17.093 1.390 -11.120 1.00 1.15 C ATOM 1745 O GLU A 643 18.201 1.421 -11.655 1.00 1.25 O ATOM 1746 CB GLU A 643 15.650 0.148 -12.800 1.00 1.31 C ATOM 1747 CG GLU A 643 14.874 -1.112 -13.197 1.00 1.81 C ATOM 1748 CD GLU A 643 15.497 -1.873 -14.376 1.00 2.23 C ATOM 1749 OE1 GLU A 643 15.528 -1.329 -15.509 1.00 2.69 O ATOM 1750 OE2 GLU A 643 15.913 -3.048 -14.209 1.00 3.09 O ATOM 0 H GLU A 643 14.190 0.414 -10.771 1.00 1.04 H new ATOM 0 HA GLU A 643 16.817 -0.712 -11.184 1.00 1.17 H new ATOM 0 HB2 GLU A 643 15.002 1.013 -12.938 1.00 1.31 H new ATOM 0 HB3 GLU A 643 16.491 0.268 -13.483 1.00 1.31 H new ATOM 0 HG2 GLU A 643 14.815 -1.778 -12.336 1.00 1.81 H new ATOM 0 HG3 GLU A 643 13.852 -0.833 -13.455 1.00 1.81 H new ATOM 1757 N GLU A 644 16.687 2.383 -10.313 1.00 1.10 N ATOM 1758 CA GLU A 644 17.527 3.535 -9.938 1.00 1.21 C ATOM 1759 C GLU A 644 18.497 3.202 -8.778 1.00 1.23 C ATOM 1760 O GLU A 644 19.506 3.887 -8.568 1.00 1.37 O ATOM 1761 CB GLU A 644 16.623 4.709 -9.549 1.00 1.22 C ATOM 1762 CG GLU A 644 15.741 5.252 -10.677 1.00 1.29 C ATOM 1763 CD GLU A 644 16.158 6.637 -11.195 1.00 1.74 C ATOM 1764 OE1 GLU A 644 16.992 6.722 -12.131 1.00 1.67 O ATOM 1765 OE2 GLU A 644 15.587 7.657 -10.732 1.00 2.95 O ATOM 0 H GLU A 644 15.756 2.410 -9.897 1.00 1.10 H new ATOM 0 HA GLU A 644 18.141 3.800 -10.799 1.00 1.21 H new ATOM 0 HB2 GLU A 644 15.981 4.396 -8.726 1.00 1.22 H new ATOM 0 HB3 GLU A 644 17.248 5.520 -9.175 1.00 1.22 H new ATOM 0 HG2 GLU A 644 15.758 4.546 -11.507 1.00 1.29 H new ATOM 0 HG3 GLU A 644 14.711 5.304 -10.324 1.00 1.29 H new ATOM 1772 N TYR A 645 18.175 2.144 -8.023 1.00 1.15 N ATOM 1773 CA TYR A 645 18.886 1.651 -6.832 1.00 1.14 C ATOM 1774 C TYR A 645 18.942 0.101 -6.836 1.00 1.26 C ATOM 1775 O TYR A 645 18.354 -0.537 -5.957 1.00 1.39 O ATOM 1776 CB TYR A 645 18.216 2.204 -5.550 1.00 1.16 C ATOM 1777 CG TYR A 645 17.970 3.702 -5.540 1.00 1.11 C ATOM 1778 CD1 TYR A 645 16.843 4.208 -6.210 1.00 1.96 C ATOM 1779 CD2 TYR A 645 18.852 4.589 -4.896 1.00 2.25 C ATOM 1780 CE1 TYR A 645 16.632 5.590 -6.327 1.00 2.03 C ATOM 1781 CE2 TYR A 645 18.615 5.980 -4.961 1.00 2.21 C ATOM 1782 CZ TYR A 645 17.524 6.485 -5.704 1.00 1.14 C ATOM 1783 OH TYR A 645 17.341 7.824 -5.848 1.00 1.24 O ATOM 0 H TYR A 645 17.359 1.572 -8.240 1.00 1.15 H new ATOM 0 HA TYR A 645 19.915 2.011 -6.851 1.00 1.14 H new ATOM 0 HB2 TYR A 645 17.262 1.695 -5.410 1.00 1.16 H new ATOM 0 HB3 TYR A 645 18.842 1.950 -4.694 1.00 1.16 H new ATOM 0 HD1 TYR A 645 16.129 3.523 -6.641 1.00 1.96 H new ATOM 0 HD2 TYR A 645 19.706 4.208 -4.355 1.00 2.25 H new ATOM 0 HE1 TYR A 645 15.791 5.965 -6.891 1.00 2.03 H new ATOM 0 HE2 TYR A 645 19.271 6.661 -4.440 1.00 2.21 H new ATOM 0 HH TYR A 645 18.040 8.304 -5.356 1.00 1.24 H new ATOM 1793 N PRO A 646 19.604 -0.538 -7.825 1.00 1.31 N ATOM 1794 CA PRO A 646 19.510 -1.982 -8.097 1.00 1.50 C ATOM 1795 C PRO A 646 19.906 -2.931 -6.948 1.00 1.43 C ATOM 1796 O PRO A 646 19.524 -4.105 -6.983 1.00 1.52 O ATOM 1797 CB PRO A 646 20.358 -2.222 -9.356 1.00 1.65 C ATOM 1798 CG PRO A 646 21.289 -1.012 -9.419 1.00 1.48 C ATOM 1799 CD PRO A 646 20.407 0.097 -8.860 1.00 1.30 C ATOM 0 HA PRO A 646 18.458 -2.234 -8.230 1.00 1.50 H new ATOM 0 HB2 PRO A 646 20.920 -3.153 -9.286 1.00 1.65 H new ATOM 0 HB3 PRO A 646 19.735 -2.292 -10.248 1.00 1.65 H new ATOM 0 HG2 PRO A 646 22.189 -1.158 -8.821 1.00 1.48 H new ATOM 0 HG3 PRO A 646 21.614 -0.800 -10.438 1.00 1.48 H new ATOM 0 HD2 PRO A 646 21.008 0.909 -8.450 1.00 1.30 H new ATOM 0 HD3 PRO A 646 19.777 0.529 -9.638 1.00 1.30 H new ATOM 1807 N MET A 647 20.582 -2.449 -5.897 1.00 1.31 N ATOM 1808 CA MET A 647 20.727 -3.166 -4.618 1.00 1.38 C ATOM 1809 C MET A 647 19.364 -3.569 -4.030 1.00 1.34 C ATOM 1810 O MET A 647 19.181 -4.699 -3.583 1.00 1.38 O ATOM 1811 CB MET A 647 21.462 -2.245 -3.629 1.00 1.49 C ATOM 1812 CG MET A 647 21.559 -2.795 -2.199 1.00 1.66 C ATOM 1813 SD MET A 647 21.964 -1.536 -0.959 1.00 1.63 S ATOM 1814 CE MET A 647 20.318 -0.789 -0.786 1.00 1.33 C ATOM 0 H MET A 647 21.049 -1.542 -5.908 1.00 1.31 H new ATOM 0 HA MET A 647 21.291 -4.082 -4.793 1.00 1.38 H new ATOM 0 HB2 MET A 647 22.469 -2.061 -4.003 1.00 1.49 H new ATOM 0 HB3 MET A 647 20.952 -1.282 -3.601 1.00 1.49 H new ATOM 0 HG2 MET A 647 20.610 -3.261 -1.934 1.00 1.66 H new ATOM 0 HG3 MET A 647 22.318 -3.577 -2.171 1.00 1.66 H new ATOM 0 HE1 MET A 647 20.414 0.296 -0.736 1.00 1.33 H new ATOM 0 HE2 MET A 647 19.704 -1.059 -1.645 1.00 1.33 H new ATOM 0 HE3 MET A 647 19.847 -1.154 0.127 1.00 1.33 H new ATOM 1824 N MET A 648 18.383 -2.662 -4.046 1.00 1.30 N ATOM 1825 CA MET A 648 17.054 -2.911 -3.481 1.00 1.28 C ATOM 1826 C MET A 648 16.274 -3.970 -4.274 1.00 1.36 C ATOM 1827 O MET A 648 15.434 -4.663 -3.703 1.00 1.46 O ATOM 1828 CB MET A 648 16.256 -1.599 -3.427 1.00 1.21 C ATOM 1829 CG MET A 648 16.761 -0.579 -2.399 1.00 1.23 C ATOM 1830 SD MET A 648 16.817 -1.106 -0.658 1.00 1.46 S ATOM 1831 CE MET A 648 15.165 -1.816 -0.404 1.00 1.97 C ATOM 0 H MET A 648 18.489 -1.732 -4.452 1.00 1.30 H new ATOM 0 HA MET A 648 17.194 -3.300 -2.472 1.00 1.28 H new ATOM 0 HB2 MET A 648 16.275 -1.138 -4.415 1.00 1.21 H new ATOM 0 HB3 MET A 648 15.215 -1.833 -3.204 1.00 1.21 H new ATOM 0 HG2 MET A 648 17.766 -0.274 -2.692 1.00 1.23 H new ATOM 0 HG3 MET A 648 16.128 0.306 -2.463 1.00 1.23 H new ATOM 0 HE1 MET A 648 15.057 -2.124 0.636 1.00 1.97 H new ATOM 0 HE2 MET A 648 14.408 -1.069 -0.641 1.00 1.97 H new ATOM 0 HE3 MET A 648 15.037 -2.681 -1.054 1.00 1.97 H new ATOM 1841 N ARG A 649 16.557 -4.149 -5.572 1.00 1.41 N ATOM 1842 CA ARG A 649 15.832 -5.096 -6.436 1.00 1.60 C ATOM 1843 C ARG A 649 15.968 -6.534 -5.936 1.00 1.78 C ATOM 1844 O ARG A 649 14.960 -7.183 -5.673 1.00 1.93 O ATOM 1845 CB ARG A 649 16.265 -4.860 -7.897 1.00 1.66 C ATOM 1846 CG ARG A 649 15.440 -5.610 -8.951 1.00 1.96 C ATOM 1847 CD ARG A 649 15.977 -7.009 -9.270 1.00 1.93 C ATOM 1848 NE ARG A 649 15.207 -7.598 -10.371 1.00 2.60 N ATOM 1849 CZ ARG A 649 15.330 -8.789 -10.914 1.00 3.33 C ATOM 1850 NH1 ARG A 649 16.194 -9.675 -10.513 1.00 3.83 N ATOM 1851 NH2 ARG A 649 14.551 -9.098 -11.899 1.00 4.30 N ATOM 0 H ARG A 649 17.297 -3.640 -6.055 1.00 1.41 H new ATOM 0 HA ARG A 649 14.758 -4.916 -6.394 1.00 1.60 H new ATOM 0 HB2 ARG A 649 16.210 -3.792 -8.108 1.00 1.66 H new ATOM 0 HB3 ARG A 649 17.310 -5.152 -8.001 1.00 1.66 H new ATOM 0 HG2 ARG A 649 14.411 -5.696 -8.601 1.00 1.96 H new ATOM 0 HG3 ARG A 649 15.417 -5.021 -9.868 1.00 1.96 H new ATOM 0 HD2 ARG A 649 17.031 -6.951 -9.542 1.00 1.93 H new ATOM 0 HD3 ARG A 649 15.910 -7.644 -8.387 1.00 1.93 H new ATOM 0 HE ARG A 649 14.479 -7.004 -10.768 1.00 2.60 H new ATOM 0 HH11 ARG A 649 16.822 -9.461 -9.738 1.00 3.83 H new ATOM 0 HH12 ARG A 649 16.244 -10.584 -10.973 1.00 3.83 H new ATOM 0 HH21 ARG A 649 13.863 -8.424 -12.236 1.00 4.30 H new ATOM 0 HH22 ARG A 649 14.625 -10.015 -12.339 1.00 4.30 H new ATOM 1865 N ARG A 650 17.191 -7.002 -5.673 1.00 1.82 N ATOM 1866 CA ARG A 650 17.441 -8.356 -5.127 1.00 2.00 C ATOM 1867 C ARG A 650 16.780 -8.604 -3.764 1.00 2.03 C ATOM 1868 O ARG A 650 16.295 -9.708 -3.515 1.00 2.17 O ATOM 1869 CB ARG A 650 18.944 -8.678 -5.077 1.00 2.13 C ATOM 1870 CG ARG A 650 19.832 -7.634 -4.387 1.00 2.36 C ATOM 1871 CD ARG A 650 21.222 -8.218 -4.125 1.00 2.06 C ATOM 1872 NE ARG A 650 22.141 -7.227 -3.541 1.00 3.11 N ATOM 1873 CZ ARG A 650 22.926 -6.385 -4.183 1.00 4.05 C ATOM 1874 NH1 ARG A 650 23.009 -6.321 -5.482 1.00 4.62 N ATOM 1875 NH2 ARG A 650 23.675 -5.541 -3.538 1.00 5.44 N ATOM 0 H ARG A 650 18.041 -6.460 -5.829 1.00 1.82 H new ATOM 0 HA ARG A 650 16.963 -9.043 -5.825 1.00 2.00 H new ATOM 0 HB2 ARG A 650 19.074 -9.632 -4.566 1.00 2.13 H new ATOM 0 HB3 ARG A 650 19.301 -8.812 -6.098 1.00 2.13 H new ATOM 0 HG2 ARG A 650 19.914 -6.745 -5.012 1.00 2.36 H new ATOM 0 HG3 ARG A 650 19.377 -7.322 -3.447 1.00 2.36 H new ATOM 0 HD2 ARG A 650 21.135 -9.071 -3.452 1.00 2.06 H new ATOM 0 HD3 ARG A 650 21.639 -8.591 -5.060 1.00 2.06 H new ATOM 0 HE ARG A 650 22.174 -7.187 -2.522 1.00 3.11 H new ATOM 0 HH11 ARG A 650 22.447 -6.945 -6.060 1.00 4.62 H new ATOM 0 HH12 ARG A 650 23.636 -5.647 -5.920 1.00 4.62 H new ATOM 0 HH21 ARG A 650 23.661 -5.523 -2.518 1.00 5.44 H new ATOM 0 HH22 ARG A 650 24.276 -4.897 -4.052 1.00 5.44 H new ATOM 1889 N ALA A 651 16.701 -7.567 -2.934 1.00 1.91 N ATOM 1890 CA ALA A 651 16.042 -7.573 -1.622 1.00 1.95 C ATOM 1891 C ALA A 651 14.510 -7.749 -1.702 1.00 2.01 C ATOM 1892 O ALA A 651 13.910 -8.285 -0.765 1.00 2.16 O ATOM 1893 CB ALA A 651 16.414 -6.280 -0.883 1.00 1.78 C ATOM 0 H ALA A 651 17.110 -6.661 -3.162 1.00 1.91 H new ATOM 0 HA ALA A 651 16.399 -8.443 -1.071 1.00 1.95 H new ATOM 0 HB1 ALA A 651 15.932 -6.268 0.095 1.00 1.78 H new ATOM 0 HB2 ALA A 651 17.495 -6.232 -0.755 1.00 1.78 H new ATOM 0 HB3 ALA A 651 16.079 -5.420 -1.463 1.00 1.78 H new ATOM 1899 N PHE A 652 13.886 -7.364 -2.824 1.00 1.94 N ATOM 1900 CA PHE A 652 12.477 -7.631 -3.153 1.00 2.06 C ATOM 1901 C PHE A 652 12.252 -8.946 -3.933 1.00 2.29 C ATOM 1902 O PHE A 652 11.156 -9.505 -3.893 1.00 2.56 O ATOM 1903 CB PHE A 652 11.907 -6.427 -3.919 1.00 1.91 C ATOM 1904 CG PHE A 652 11.380 -5.322 -3.020 1.00 1.84 C ATOM 1905 CD1 PHE A 652 10.063 -5.389 -2.529 1.00 2.76 C ATOM 1906 CD2 PHE A 652 12.195 -4.230 -2.668 1.00 2.46 C ATOM 1907 CE1 PHE A 652 9.575 -4.378 -1.682 1.00 2.71 C ATOM 1908 CE2 PHE A 652 11.711 -3.222 -1.816 1.00 2.54 C ATOM 1909 CZ PHE A 652 10.403 -3.305 -1.309 1.00 1.87 C ATOM 0 H PHE A 652 14.366 -6.839 -3.555 1.00 1.94 H new ATOM 0 HA PHE A 652 11.945 -7.769 -2.212 1.00 2.06 H new ATOM 0 HB2 PHE A 652 12.684 -6.018 -4.564 1.00 1.91 H new ATOM 0 HB3 PHE A 652 11.101 -6.770 -4.568 1.00 1.91 H new ATOM 0 HD1 PHE A 652 9.427 -6.217 -2.803 1.00 2.76 H new ATOM 0 HD2 PHE A 652 13.201 -4.166 -3.056 1.00 2.46 H new ATOM 0 HE1 PHE A 652 8.560 -4.426 -1.317 1.00 2.71 H new ATOM 0 HE2 PHE A 652 12.342 -2.387 -1.552 1.00 2.54 H new ATOM 0 HZ PHE A 652 10.035 -2.546 -0.634 1.00 1.87 H new ATOM 1919 N GLU A 653 13.275 -9.480 -4.603 1.00 2.29 N ATOM 1920 CA GLU A 653 13.218 -10.770 -5.318 1.00 2.51 C ATOM 1921 C GLU A 653 13.414 -11.998 -4.415 1.00 2.73 C ATOM 1922 O GLU A 653 12.925 -13.083 -4.732 1.00 2.88 O ATOM 1923 CB GLU A 653 14.318 -10.796 -6.383 1.00 2.55 C ATOM 1924 CG GLU A 653 14.059 -9.858 -7.563 1.00 2.46 C ATOM 1925 CD GLU A 653 12.855 -10.303 -8.402 1.00 3.16 C ATOM 1926 OE1 GLU A 653 12.742 -11.519 -8.695 1.00 3.48 O ATOM 1927 OE2 GLU A 653 12.037 -9.446 -8.802 1.00 4.12 O ATOM 0 H GLU A 653 14.186 -9.025 -4.669 1.00 2.29 H new ATOM 0 HA GLU A 653 12.217 -10.836 -5.744 1.00 2.51 H new ATOM 0 HB2 GLU A 653 15.267 -10.527 -5.918 1.00 2.55 H new ATOM 0 HB3 GLU A 653 14.424 -11.814 -6.757 1.00 2.55 H new ATOM 0 HG2 GLU A 653 13.887 -8.848 -7.191 1.00 2.46 H new ATOM 0 HG3 GLU A 653 14.946 -9.819 -8.195 1.00 2.46 H new ATOM 1934 N THR A 654 14.141 -11.837 -3.306 1.00 2.73 N ATOM 1935 CA THR A 654 14.445 -12.904 -2.328 1.00 2.99 C ATOM 1936 C THR A 654 13.240 -13.208 -1.426 1.00 3.13 C ATOM 1937 O THR A 654 12.839 -14.358 -1.245 1.00 3.49 O ATOM 1938 CB THR A 654 15.712 -12.521 -1.546 1.00 2.95 C ATOM 1939 OG1 THR A 654 16.202 -13.584 -0.766 1.00 3.26 O ATOM 1940 CG2 THR A 654 15.504 -11.319 -0.628 1.00 2.73 C ATOM 0 H THR A 654 14.549 -10.938 -3.050 1.00 2.73 H new ATOM 0 HA THR A 654 14.646 -13.838 -2.853 1.00 2.99 H new ATOM 0 HB THR A 654 16.440 -12.262 -2.315 1.00 2.95 H new ATOM 0 HG1 THR A 654 17.008 -13.295 -0.289 1.00 3.26 H new ATOM 0 HG21 THR A 654 16.433 -11.097 -0.103 1.00 2.73 H new ATOM 0 HG22 THR A 654 15.207 -10.455 -1.222 1.00 2.73 H new ATOM 0 HG23 THR A 654 14.723 -11.546 0.097 1.00 2.73 H new ATOM 1948 N VAL A 655 12.565 -12.152 -0.964 1.00 2.97 N ATOM 1949 CA VAL A 655 11.307 -12.208 -0.203 1.00 3.14 C ATOM 1950 C VAL A 655 10.172 -12.808 -1.031 1.00 3.18 C ATOM 1951 O VAL A 655 9.396 -13.608 -0.521 1.00 3.42 O ATOM 1952 CB VAL A 655 10.967 -10.809 0.344 1.00 3.02 C ATOM 1953 CG1 VAL A 655 10.868 -9.742 -0.739 1.00 2.65 C ATOM 1954 CG2 VAL A 655 9.693 -10.790 1.187 1.00 3.31 C ATOM 0 H VAL A 655 12.889 -11.197 -1.114 1.00 2.97 H new ATOM 0 HA VAL A 655 11.438 -12.877 0.648 1.00 3.14 H new ATOM 0 HB VAL A 655 11.813 -10.565 0.986 1.00 3.02 H new ATOM 0 HG11 VAL A 655 10.626 -8.782 -0.283 1.00 2.65 H new ATOM 0 HG12 VAL A 655 11.821 -9.665 -1.262 1.00 2.65 H new ATOM 0 HG13 VAL A 655 10.086 -10.014 -1.448 1.00 2.65 H new ATOM 0 HG21 VAL A 655 9.508 -9.777 1.543 1.00 3.31 H new ATOM 0 HG22 VAL A 655 8.850 -11.121 0.580 1.00 3.31 H new ATOM 0 HG23 VAL A 655 9.811 -11.458 2.040 1.00 3.31 H new