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 559 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 634 SER OG : rot 105:sc= 0.00371 USER MOD Set 1.3: A 637 ASN : amide:sc= 0.754 K(o=2,f=-3.4) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 596 ASN : amide:sc= -0.256 K(o=-0.3,f=-3!) USER MOD Set 2.3: A 599 MET CE :methyl -166:sc= -0.047 (180deg=-0.314) USER MOD Set 3.1: A 535 CYS SG : rot 146:sc= 0.938 USER MOD Set 3.2: A 631 TYR OH : 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 -172:sc= 1.27 USER MOD Single : A 542 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 1.08 K(o=1.1,f=-0.00015) USER MOD Single : A 554 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 556 MET CE :methyl -170:sc= -0.749 (180deg=-1.1) 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=-0.00599 X(o=-0.006,f=-0.006) USER MOD Single : A 570 TYR OH : rot 166:sc= 0.261 USER MOD Single : A 576 THR OG1 : rot -74:sc= 1.02 USER MOD Single : A 579 LYS NZ :NH3+ -162:sc= 3.02 (180deg=2.28) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 MET CE :methyl -170:sc= -0.761 (180deg=-1.39) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 590 SER OG : rot 84:sc= 1.18 USER MOD Single : A 594 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00222) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0388) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 85:sc= 1.28 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 177:sc= 1.19 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 THR OG1 : rot 43:sc= 0.0184 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.0649 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 13:sc= -0.506 USER MOD Single : A 632 SER OG : rot -122:sc= 1.24 USER MOD Single : A 639 ASN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 645 TYR OH : rot 165:sc= 0 USER MOD Single : A 647 MET CE :methyl 159:sc= -0.0641 (180deg=-0.268) USER MOD Single : A 648 MET CE :methyl 162:sc= -0.502 (180deg=-1.19) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 6.261 12.115 4.375 1.00 2.09 N ATOM 16 CA CYS A 535 5.497 10.951 3.900 1.00 1.68 C ATOM 17 C CYS A 535 6.344 9.662 3.756 1.00 1.27 C ATOM 18 O CYS A 535 5.816 8.558 3.904 1.00 1.29 O ATOM 19 CB CYS A 535 4.825 11.358 2.576 1.00 2.57 C ATOM 20 SG CYS A 535 3.683 10.062 2.014 1.00 3.35 S ATOM 0 HA CYS A 535 4.750 10.686 4.648 1.00 1.68 H new ATOM 0 HB2 CYS A 535 4.283 12.295 2.710 1.00 2.57 H new ATOM 0 HB3 CYS A 535 5.585 11.535 1.815 1.00 2.57 H new ATOM 0 HG CYS A 535 2.671 10.608 1.407 1.00 3.35 H new ATOM 26 N ARG A 536 7.672 9.772 3.583 1.00 1.21 N ATOM 27 CA ARG A 536 8.633 8.647 3.611 1.00 1.19 C ATOM 28 C ARG A 536 8.490 7.687 4.805 1.00 1.24 C ATOM 29 O ARG A 536 8.738 6.494 4.627 1.00 1.31 O ATOM 30 CB ARG A 536 10.066 9.200 3.489 1.00 1.49 C ATOM 31 CG ARG A 536 10.511 10.019 4.715 1.00 1.91 C ATOM 32 CD ARG A 536 11.779 10.835 4.447 1.00 2.12 C ATOM 33 NE ARG A 536 12.959 9.984 4.238 1.00 2.73 N ATOM 34 CZ ARG A 536 14.219 10.369 4.237 1.00 3.35 C ATOM 35 NH1 ARG A 536 14.608 11.594 4.432 1.00 3.48 N ATOM 36 NH2 ARG A 536 15.147 9.490 4.041 1.00 4.79 N ATOM 0 H ARG A 536 8.124 10.671 3.415 1.00 1.21 H new ATOM 0 HA ARG A 536 8.395 8.019 2.752 1.00 1.19 H new ATOM 0 HB2 ARG A 536 10.757 8.369 3.346 1.00 1.49 H new ATOM 0 HB3 ARG A 536 10.131 9.826 2.599 1.00 1.49 H new ATOM 0 HG2 ARG A 536 9.706 10.692 5.010 1.00 1.91 H new ATOM 0 HG3 ARG A 536 10.687 9.345 5.554 1.00 1.91 H new ATOM 0 HD2 ARG A 536 11.626 11.461 3.568 1.00 2.12 H new ATOM 0 HD3 ARG A 536 11.961 11.504 5.288 1.00 2.12 H new ATOM 0 HE ARG A 536 12.784 8.992 4.077 1.00 2.73 H new ATOM 0 HH11 ARG A 536 13.919 12.327 4.599 1.00 3.48 H new ATOM 0 HH12 ARG A 536 15.602 11.822 4.418 1.00 3.48 H new ATOM 0 HH21 ARG A 536 14.899 8.512 3.890 1.00 4.79 H new ATOM 0 HH22 ARG A 536 16.126 9.775 4.038 1.00 4.79 H new ATOM 50 N LYS A 537 8.002 8.140 5.973 1.00 1.34 N ATOM 51 CA LYS A 537 7.629 7.274 7.105 1.00 1.53 C ATOM 52 C LYS A 537 6.611 6.187 6.731 1.00 1.46 C ATOM 53 O LYS A 537 6.690 5.076 7.252 1.00 1.58 O ATOM 54 CB LYS A 537 7.072 8.184 8.207 1.00 1.92 C ATOM 55 CG LYS A 537 6.432 7.384 9.348 1.00 2.80 C ATOM 56 CD LYS A 537 6.085 8.310 10.502 1.00 3.16 C ATOM 57 CE LYS A 537 5.158 7.547 11.460 1.00 4.31 C ATOM 58 NZ LYS A 537 4.838 8.292 12.698 1.00 4.64 N ATOM 0 H LYS A 537 7.854 9.132 6.160 1.00 1.34 H new ATOM 0 HA LYS A 537 8.513 6.733 7.441 1.00 1.53 H new ATOM 0 HB2 LYS A 537 7.876 8.803 8.606 1.00 1.92 H new ATOM 0 HB3 LYS A 537 6.331 8.859 7.779 1.00 1.92 H new ATOM 0 HG2 LYS A 537 5.533 6.882 8.991 1.00 2.80 H new ATOM 0 HG3 LYS A 537 7.117 6.607 9.688 1.00 2.80 H new ATOM 0 HD2 LYS A 537 6.989 8.629 11.020 1.00 3.16 H new ATOM 0 HD3 LYS A 537 5.594 9.211 10.134 1.00 3.16 H new ATOM 0 HE2 LYS A 537 4.230 7.308 10.940 1.00 4.31 H new ATOM 0 HE3 LYS A 537 5.627 6.600 11.727 1.00 4.31 H new ATOM 0 HZ1 LYS A 537 4.210 7.718 13.296 1.00 4.64 H new ATOM 0 HZ2 LYS A 537 5.716 8.498 13.216 1.00 4.64 H new ATOM 0 HZ3 LYS A 537 4.363 9.184 12.453 1.00 4.64 H new ATOM 72 N LEU A 538 5.647 6.521 5.871 1.00 1.36 N ATOM 73 CA LEU A 538 4.423 5.749 5.645 1.00 1.42 C ATOM 74 C LEU A 538 4.643 4.613 4.640 1.00 1.40 C ATOM 75 O LEU A 538 4.279 3.475 4.921 1.00 1.55 O ATOM 76 CB LEU A 538 3.294 6.696 5.192 1.00 1.43 C ATOM 77 CG LEU A 538 2.948 7.850 6.156 1.00 1.30 C ATOM 78 CD1 LEU A 538 1.889 8.755 5.524 1.00 2.96 C ATOM 79 CD2 LEU A 538 2.393 7.342 7.487 1.00 1.65 C ATOM 0 H LEU A 538 5.698 7.361 5.295 1.00 1.36 H new ATOM 0 HA LEU A 538 4.132 5.277 6.583 1.00 1.42 H new ATOM 0 HB2 LEU A 538 3.572 7.125 4.229 1.00 1.43 H new ATOM 0 HB3 LEU A 538 2.394 6.103 5.029 1.00 1.43 H new ATOM 0 HG LEU A 538 3.874 8.394 6.342 1.00 1.30 H new ATOM 0 HD11 LEU A 538 1.649 9.568 6.209 1.00 2.96 H new ATOM 0 HD12 LEU A 538 2.273 9.168 4.591 1.00 2.96 H new ATOM 0 HD13 LEU A 538 0.989 8.175 5.320 1.00 2.96 H new ATOM 0 HD21 LEU A 538 2.164 8.190 8.133 1.00 1.65 H new ATOM 0 HD22 LEU A 538 1.485 6.767 7.307 1.00 1.65 H new ATOM 0 HD23 LEU A 538 3.134 6.707 7.972 1.00 1.65 H new ATOM 91 N VAL A 539 5.336 4.875 3.525 1.00 1.24 N ATOM 92 CA VAL A 539 5.788 3.805 2.614 1.00 1.19 C ATOM 93 C VAL A 539 6.787 2.876 3.331 1.00 1.29 C ATOM 94 O VAL A 539 6.685 1.655 3.228 1.00 1.41 O ATOM 95 CB VAL A 539 6.276 4.396 1.274 1.00 0.98 C ATOM 96 CG1 VAL A 539 7.788 4.587 1.187 1.00 0.92 C ATOM 97 CG2 VAL A 539 5.809 3.510 0.121 1.00 1.03 C ATOM 0 H VAL A 539 5.598 5.815 3.228 1.00 1.24 H new ATOM 0 HA VAL A 539 4.951 3.163 2.341 1.00 1.19 H new ATOM 0 HB VAL A 539 5.838 5.392 1.207 1.00 0.98 H new ATOM 0 HG11 VAL A 539 8.046 5.006 0.215 1.00 0.92 H new ATOM 0 HG12 VAL A 539 8.115 5.267 1.974 1.00 0.92 H new ATOM 0 HG13 VAL A 539 8.284 3.624 1.311 1.00 0.92 H new ATOM 0 HG21 VAL A 539 6.155 3.930 -0.824 1.00 1.03 H new ATOM 0 HG22 VAL A 539 6.218 2.507 0.244 1.00 1.03 H new ATOM 0 HG23 VAL A 539 4.720 3.460 0.119 1.00 1.03 H new ATOM 107 N ALA A 540 7.651 3.430 4.193 1.00 1.34 N ATOM 108 CA ALA A 540 8.538 2.677 5.085 1.00 1.59 C ATOM 109 C ALA A 540 7.831 1.970 6.263 1.00 1.86 C ATOM 110 O ALA A 540 8.504 1.338 7.084 1.00 2.03 O ATOM 111 CB ALA A 540 9.608 3.631 5.615 1.00 1.64 C ATOM 0 H ALA A 540 7.753 4.440 4.290 1.00 1.34 H new ATOM 0 HA ALA A 540 8.968 1.870 4.491 1.00 1.59 H new ATOM 0 HB1 ALA A 540 10.280 3.090 6.282 1.00 1.64 H new ATOM 0 HB2 ALA A 540 10.177 4.040 4.780 1.00 1.64 H new ATOM 0 HB3 ALA A 540 9.131 4.445 6.162 1.00 1.64 H new ATOM 117 N SER A 541 6.502 2.068 6.379 1.00 1.99 N ATOM 118 CA SER A 541 5.748 1.393 7.441 1.00 2.31 C ATOM 119 C SER A 541 5.586 -0.099 7.132 1.00 2.11 C ATOM 120 O SER A 541 5.485 -0.938 8.031 1.00 2.13 O ATOM 121 CB SER A 541 4.386 2.057 7.634 1.00 2.75 C ATOM 122 OG SER A 541 3.695 1.532 8.750 1.00 3.91 O ATOM 0 H SER A 541 5.921 2.615 5.743 1.00 1.99 H new ATOM 0 HA SER A 541 6.310 1.485 8.370 1.00 2.31 H new ATOM 0 HB2 SER A 541 4.521 3.131 7.763 1.00 2.75 H new ATOM 0 HB3 SER A 541 3.784 1.917 6.736 1.00 2.75 H new ATOM 0 HG SER A 541 2.780 1.882 8.763 1.00 3.91 H new ATOM 128 N MET A 542 5.597 -0.434 5.841 1.00 1.96 N ATOM 129 CA MET A 542 5.415 -1.762 5.298 1.00 1.87 C ATOM 130 C MET A 542 6.729 -2.571 5.385 1.00 1.72 C ATOM 131 O MET A 542 7.786 -2.045 5.024 1.00 1.74 O ATOM 132 CB MET A 542 4.937 -1.533 3.861 1.00 1.87 C ATOM 133 CG MET A 542 4.707 -2.814 3.082 1.00 2.36 C ATOM 134 SD MET A 542 4.341 -2.513 1.339 1.00 2.55 S ATOM 135 CE MET A 542 3.639 -4.110 0.900 1.00 2.31 C ATOM 0 H MET A 542 5.743 0.263 5.111 1.00 1.96 H new ATOM 0 HA MET A 542 4.689 -2.357 5.852 1.00 1.87 H new ATOM 0 HB2 MET A 542 4.010 -0.961 3.883 1.00 1.87 H new ATOM 0 HB3 MET A 542 5.674 -0.926 3.335 1.00 1.87 H new ATOM 0 HG2 MET A 542 5.592 -3.445 3.159 1.00 2.36 H new ATOM 0 HG3 MET A 542 3.882 -3.365 3.533 1.00 2.36 H new ATOM 0 HE1 MET A 542 3.354 -4.105 -0.152 1.00 2.31 H new ATOM 0 HE2 MET A 542 4.378 -4.892 1.072 1.00 2.31 H new ATOM 0 HE3 MET A 542 2.759 -4.302 1.514 1.00 2.31 H new ATOM 145 N PRO A 543 6.710 -3.860 5.786 1.00 1.62 N ATOM 146 CA PRO A 543 7.935 -4.637 6.014 1.00 1.51 C ATOM 147 C PRO A 543 8.732 -4.901 4.722 1.00 1.40 C ATOM 148 O PRO A 543 9.947 -5.116 4.762 1.00 1.40 O ATOM 149 CB PRO A 543 7.482 -5.916 6.726 1.00 1.58 C ATOM 150 CG PRO A 543 6.035 -6.101 6.276 1.00 1.68 C ATOM 151 CD PRO A 543 5.531 -4.677 6.026 1.00 1.74 C ATOM 0 HA PRO A 543 8.646 -4.084 6.628 1.00 1.51 H new ATOM 0 HB2 PRO A 543 8.099 -6.769 6.444 1.00 1.58 H new ATOM 0 HB3 PRO A 543 7.553 -5.816 7.809 1.00 1.58 H new ATOM 0 HG2 PRO A 543 5.974 -6.709 5.373 1.00 1.68 H new ATOM 0 HG3 PRO A 543 5.442 -6.604 7.040 1.00 1.68 H new ATOM 0 HD2 PRO A 543 4.858 -4.648 5.169 1.00 1.74 H new ATOM 0 HD3 PRO A 543 4.970 -4.307 6.885 1.00 1.74 H new ATOM 159 N LEU A 544 8.085 -4.788 3.558 1.00 1.39 N ATOM 160 CA LEU A 544 8.715 -4.792 2.233 1.00 1.34 C ATOM 161 C LEU A 544 9.728 -3.636 2.045 1.00 1.27 C ATOM 162 O LEU A 544 10.740 -3.823 1.371 1.00 1.22 O ATOM 163 CB LEU A 544 7.566 -4.817 1.203 1.00 1.41 C ATOM 164 CG LEU A 544 7.975 -4.937 -0.274 1.00 1.63 C ATOM 165 CD1 LEU A 544 6.866 -5.656 -1.038 1.00 1.67 C ATOM 166 CD2 LEU A 544 8.126 -3.566 -0.937 1.00 2.68 C ATOM 0 H LEU A 544 7.071 -4.688 3.510 1.00 1.39 H new ATOM 0 HA LEU A 544 9.340 -5.674 2.095 1.00 1.34 H new ATOM 0 HB2 LEU A 544 6.909 -5.652 1.445 1.00 1.41 H new ATOM 0 HB3 LEU A 544 6.980 -3.906 1.322 1.00 1.41 H new ATOM 0 HG LEU A 544 8.925 -5.471 -0.303 1.00 1.63 H new ATOM 0 HD11 LEU A 544 7.147 -5.746 -2.087 1.00 1.67 H new ATOM 0 HD12 LEU A 544 6.718 -6.650 -0.615 1.00 1.67 H new ATOM 0 HD13 LEU A 544 5.940 -5.086 -0.958 1.00 1.67 H new ATOM 0 HD21 LEU A 544 8.416 -3.696 -1.980 1.00 2.68 H new ATOM 0 HD22 LEU A 544 7.177 -3.032 -0.888 1.00 2.68 H new ATOM 0 HD23 LEU A 544 8.893 -2.992 -0.416 1.00 2.68 H new ATOM 178 N PHE A 545 9.559 -2.502 2.738 1.00 1.31 N ATOM 179 CA PHE A 545 10.426 -1.315 2.693 1.00 1.30 C ATOM 180 C PHE A 545 11.267 -1.096 3.974 1.00 1.39 C ATOM 181 O PHE A 545 12.014 -0.120 4.056 1.00 1.39 O ATOM 182 CB PHE A 545 9.550 -0.075 2.456 1.00 1.38 C ATOM 183 CG PHE A 545 8.808 0.031 1.136 1.00 1.33 C ATOM 184 CD1 PHE A 545 7.545 -0.568 0.985 1.00 2.55 C ATOM 185 CD2 PHE A 545 9.299 0.872 0.119 1.00 1.81 C ATOM 186 CE1 PHE A 545 6.746 -0.265 -0.130 1.00 2.56 C ATOM 187 CE2 PHE A 545 8.498 1.184 -0.991 1.00 1.82 C ATOM 188 CZ PHE A 545 7.208 0.638 -1.099 1.00 1.37 C ATOM 0 H PHE A 545 8.774 -2.381 3.378 1.00 1.31 H new ATOM 0 HA PHE A 545 11.136 -1.478 1.882 1.00 1.30 H new ATOM 0 HB2 PHE A 545 8.813 -0.028 3.258 1.00 1.38 H new ATOM 0 HB3 PHE A 545 10.184 0.806 2.554 1.00 1.38 H new ATOM 0 HD1 PHE A 545 7.188 -1.264 1.729 1.00 2.55 H new ATOM 0 HD2 PHE A 545 10.297 1.279 0.193 1.00 1.81 H new ATOM 0 HE1 PHE A 545 5.776 -0.727 -0.241 1.00 2.56 H new ATOM 0 HE2 PHE A 545 8.873 1.843 -1.761 1.00 1.82 H new ATOM 0 HZ PHE A 545 6.572 0.913 -1.928 1.00 1.37 H new ATOM 198 N ALA A 546 11.176 -1.967 4.986 1.00 1.56 N ATOM 199 CA ALA A 546 11.767 -1.755 6.317 1.00 1.86 C ATOM 200 C ALA A 546 13.294 -1.642 6.287 1.00 1.77 C ATOM 201 O ALA A 546 13.915 -0.881 7.033 1.00 1.93 O ATOM 202 CB ALA A 546 11.435 -2.988 7.152 1.00 2.17 C ATOM 0 H ALA A 546 10.681 -2.855 4.904 1.00 1.56 H new ATOM 0 HA ALA A 546 11.366 -0.823 6.717 1.00 1.86 H new ATOM 0 HB1 ALA A 546 11.855 -2.875 8.151 1.00 2.17 H new ATOM 0 HB2 ALA A 546 10.353 -3.098 7.224 1.00 2.17 H new ATOM 0 HB3 ALA A 546 11.859 -3.873 6.678 1.00 2.17 H new ATOM 208 N ASN A 547 13.861 -2.470 5.418 1.00 1.68 N ATOM 209 CA ASN A 547 15.264 -2.802 5.274 1.00 1.80 C ATOM 210 C ASN A 547 15.821 -2.241 3.940 1.00 1.59 C ATOM 211 O ASN A 547 16.851 -2.696 3.434 1.00 1.90 O ATOM 212 CB ASN A 547 15.311 -4.335 5.430 1.00 2.29 C ATOM 213 CG ASN A 547 15.460 -4.799 6.865 1.00 3.05 C ATOM 214 OD1 ASN A 547 16.538 -4.773 7.444 1.00 3.77 O ATOM 215 ND2 ASN A 547 14.402 -5.243 7.495 1.00 3.34 N ATOM 0 H ASN A 547 13.292 -2.970 4.735 1.00 1.68 H new ATOM 0 HA ASN A 547 15.917 -2.347 6.019 1.00 1.80 H new ATOM 0 HB2 ASN A 547 14.399 -4.762 5.013 1.00 2.29 H new ATOM 0 HB3 ASN A 547 16.143 -4.725 4.843 1.00 2.29 H new ATOM 0 HD21 ASN A 547 14.480 -5.563 8.460 1.00 3.34 H new ATOM 0 HD22 ASN A 547 13.499 -5.268 7.021 1.00 3.34 H new ATOM 222 N ALA A 548 15.098 -1.271 3.363 1.00 1.25 N ATOM 223 CA ALA A 548 15.375 -0.614 2.081 1.00 1.19 C ATOM 224 C ALA A 548 16.459 0.490 2.156 1.00 1.18 C ATOM 225 O ALA A 548 16.766 1.032 3.225 1.00 1.22 O ATOM 226 CB ALA A 548 14.048 -0.042 1.543 1.00 1.17 C ATOM 0 H ALA A 548 14.256 -0.904 3.806 1.00 1.25 H new ATOM 0 HA ALA A 548 15.787 -1.363 1.405 1.00 1.19 H new ATOM 0 HB1 ALA A 548 14.226 0.453 0.588 1.00 1.17 H new ATOM 0 HB2 ALA A 548 13.332 -0.852 1.404 1.00 1.17 H new ATOM 0 HB3 ALA A 548 13.647 0.678 2.256 1.00 1.17 H new ATOM 232 N ASP A 549 16.985 0.864 0.985 1.00 1.16 N ATOM 233 CA ASP A 549 17.800 2.066 0.773 1.00 1.15 C ATOM 234 C ASP A 549 16.924 3.332 0.941 1.00 1.12 C ATOM 235 O ASP A 549 15.926 3.475 0.228 1.00 1.02 O ATOM 236 CB ASP A 549 18.434 1.982 -0.632 1.00 1.18 C ATOM 237 CG ASP A 549 19.341 3.165 -0.992 1.00 1.27 C ATOM 238 OD1 ASP A 549 18.866 4.320 -0.946 1.00 1.95 O ATOM 239 OD2 ASP A 549 20.520 2.946 -1.366 1.00 2.09 O ATOM 0 H ASP A 549 16.851 0.322 0.131 1.00 1.16 H new ATOM 0 HA ASP A 549 18.599 2.129 1.512 1.00 1.15 H new ATOM 0 HB2 ASP A 549 19.014 1.062 -0.701 1.00 1.18 H new ATOM 0 HB3 ASP A 549 17.637 1.913 -1.373 1.00 1.18 H new ATOM 244 N PRO A 550 17.265 4.275 1.843 1.00 1.24 N ATOM 245 CA PRO A 550 16.412 5.419 2.198 1.00 1.29 C ATOM 246 C PRO A 550 16.149 6.399 1.045 1.00 1.21 C ATOM 247 O PRO A 550 15.245 7.234 1.130 1.00 1.25 O ATOM 248 CB PRO A 550 17.156 6.130 3.331 1.00 1.44 C ATOM 249 CG PRO A 550 18.618 5.790 3.057 1.00 1.42 C ATOM 250 CD PRO A 550 18.523 4.351 2.569 1.00 1.34 C ATOM 0 HA PRO A 550 15.421 5.060 2.477 1.00 1.29 H new ATOM 0 HB2 PRO A 550 16.983 7.206 3.313 1.00 1.44 H new ATOM 0 HB3 PRO A 550 16.836 5.772 4.310 1.00 1.44 H new ATOM 0 HG2 PRO A 550 19.056 6.447 2.306 1.00 1.42 H new ATOM 0 HG3 PRO A 550 19.232 5.877 3.953 1.00 1.42 H new ATOM 0 HD2 PRO A 550 19.365 4.098 1.925 1.00 1.34 H new ATOM 0 HD3 PRO A 550 18.538 3.651 3.404 1.00 1.34 H new ATOM 258 N ASN A 551 16.918 6.299 -0.036 1.00 1.15 N ATOM 259 CA ASN A 551 16.815 7.161 -1.208 1.00 1.07 C ATOM 260 C ASN A 551 15.851 6.532 -2.217 1.00 0.90 C ATOM 261 O ASN A 551 14.976 7.218 -2.731 1.00 0.92 O ATOM 262 CB ASN A 551 18.209 7.403 -1.811 1.00 1.15 C ATOM 263 CG ASN A 551 19.265 7.764 -0.782 1.00 1.51 C ATOM 264 OD1 ASN A 551 19.427 8.913 -0.389 1.00 1.68 O ATOM 265 ND2 ASN A 551 19.989 6.783 -0.300 1.00 2.43 N ATOM 0 H ASN A 551 17.651 5.595 -0.122 1.00 1.15 H new ATOM 0 HA ASN A 551 16.415 8.134 -0.923 1.00 1.07 H new ATOM 0 HB2 ASN A 551 18.525 6.506 -2.344 1.00 1.15 H new ATOM 0 HB3 ASN A 551 18.143 8.204 -2.547 1.00 1.15 H new ATOM 0 HD21 ASN A 551 20.696 6.972 0.410 1.00 2.43 H new ATOM 0 HD22 ASN A 551 19.845 5.830 -0.635 1.00 2.43 H new ATOM 272 N PHE A 552 15.938 5.212 -2.409 1.00 0.81 N ATOM 273 CA PHE A 552 15.005 4.431 -3.230 1.00 0.69 C ATOM 274 C PHE A 552 13.558 4.578 -2.748 1.00 0.70 C ATOM 275 O PHE A 552 12.669 4.889 -3.542 1.00 0.65 O ATOM 276 CB PHE A 552 15.436 2.954 -3.208 1.00 0.72 C ATOM 277 CG PHE A 552 14.408 1.972 -3.745 1.00 0.73 C ATOM 278 CD1 PHE A 552 13.964 2.063 -5.076 1.00 1.99 C ATOM 279 CD2 PHE A 552 13.880 0.973 -2.905 1.00 1.74 C ATOM 280 CE1 PHE A 552 13.035 1.138 -5.578 1.00 2.21 C ATOM 281 CE2 PHE A 552 12.936 0.057 -3.402 1.00 1.67 C ATOM 282 CZ PHE A 552 12.524 0.134 -4.743 1.00 1.10 C ATOM 0 H PHE A 552 16.674 4.644 -1.990 1.00 0.81 H new ATOM 0 HA PHE A 552 15.038 4.812 -4.251 1.00 0.69 H new ATOM 0 HB2 PHE A 552 16.352 2.851 -3.790 1.00 0.72 H new ATOM 0 HB3 PHE A 552 15.677 2.678 -2.182 1.00 0.72 H new ATOM 0 HD1 PHE A 552 14.339 2.848 -5.715 1.00 1.99 H new ATOM 0 HD2 PHE A 552 14.201 0.910 -1.876 1.00 1.74 H new ATOM 0 HE1 PHE A 552 12.714 1.200 -6.607 1.00 2.21 H new ATOM 0 HE2 PHE A 552 12.528 -0.705 -2.754 1.00 1.67 H new ATOM 0 HZ PHE A 552 11.813 -0.581 -5.131 1.00 1.10 H new ATOM 292 N VAL A 553 13.322 4.421 -1.438 1.00 0.80 N ATOM 293 CA VAL A 553 11.960 4.513 -0.871 1.00 0.84 C ATOM 294 C VAL A 553 11.350 5.907 -1.058 1.00 0.84 C ATOM 295 O VAL A 553 10.148 6.062 -1.246 1.00 0.84 O ATOM 296 CB VAL A 553 11.902 4.115 0.612 1.00 1.00 C ATOM 297 CG1 VAL A 553 12.617 2.788 0.810 1.00 1.78 C ATOM 298 CG2 VAL A 553 12.542 5.081 1.611 1.00 1.23 C ATOM 0 H VAL A 553 14.050 4.230 -0.750 1.00 0.80 H new ATOM 0 HA VAL A 553 11.365 3.793 -1.434 1.00 0.84 H new ATOM 0 HB VAL A 553 10.833 4.095 0.822 1.00 1.00 H new ATOM 0 HG11 VAL A 553 12.576 2.506 1.862 1.00 1.78 H new ATOM 0 HG12 VAL A 553 12.131 2.020 0.209 1.00 1.78 H new ATOM 0 HG13 VAL A 553 13.658 2.886 0.501 1.00 1.78 H new ATOM 0 HG21 VAL A 553 12.434 4.685 2.621 1.00 1.23 H new ATOM 0 HG22 VAL A 553 13.601 5.197 1.378 1.00 1.23 H new ATOM 0 HG23 VAL A 553 12.048 6.051 1.547 1.00 1.23 H new ATOM 308 N THR A 554 12.214 6.921 -1.014 1.00 0.90 N ATOM 309 CA THR A 554 11.892 8.350 -1.103 1.00 0.99 C ATOM 310 C THR A 554 11.717 8.833 -2.543 1.00 0.89 C ATOM 311 O THR A 554 10.804 9.609 -2.826 1.00 0.94 O ATOM 312 CB THR A 554 12.975 9.173 -0.391 1.00 1.20 C ATOM 313 OG1 THR A 554 13.039 8.808 0.969 1.00 1.35 O ATOM 314 CG2 THR A 554 12.678 10.667 -0.451 1.00 1.36 C ATOM 0 H THR A 554 13.216 6.761 -0.909 1.00 0.90 H new ATOM 0 HA THR A 554 10.932 8.494 -0.608 1.00 0.99 H new ATOM 0 HB THR A 554 13.917 8.969 -0.900 1.00 1.20 H new ATOM 0 HG1 THR A 554 13.737 8.131 1.094 1.00 1.35 H new ATOM 0 HG21 THR A 554 13.467 11.216 0.064 1.00 1.36 H new ATOM 0 HG22 THR A 554 12.633 10.987 -1.492 1.00 1.36 H new ATOM 0 HG23 THR A 554 11.722 10.868 0.032 1.00 1.36 H new ATOM 322 N ALA A 555 12.546 8.371 -3.485 1.00 0.81 N ATOM 323 CA ALA A 555 12.489 8.797 -4.885 1.00 0.82 C ATOM 324 C ALA A 555 11.191 8.326 -5.570 1.00 0.72 C ATOM 325 O ALA A 555 10.736 8.896 -6.562 1.00 0.87 O ATOM 326 CB ALA A 555 13.730 8.243 -5.592 1.00 0.84 C ATOM 0 H ALA A 555 13.279 7.687 -3.295 1.00 0.81 H new ATOM 0 HA ALA A 555 12.481 9.885 -4.942 1.00 0.82 H new ATOM 0 HB1 ALA A 555 13.717 8.544 -6.640 1.00 0.84 H new ATOM 0 HB2 ALA A 555 14.627 8.635 -5.113 1.00 0.84 H new ATOM 0 HB3 ALA A 555 13.730 7.155 -5.527 1.00 0.84 H new ATOM 332 N MET A 556 10.552 7.312 -4.986 1.00 0.58 N ATOM 333 CA MET A 556 9.254 6.780 -5.399 1.00 0.58 C ATOM 334 C MET A 556 8.088 7.756 -5.160 1.00 0.59 C ATOM 335 O MET A 556 7.043 7.646 -5.798 1.00 0.66 O ATOM 336 CB MET A 556 9.063 5.487 -4.602 1.00 0.69 C ATOM 337 CG MET A 556 8.049 4.529 -5.229 1.00 0.65 C ATOM 338 SD MET A 556 7.978 2.898 -4.431 1.00 0.84 S ATOM 339 CE MET A 556 9.739 2.463 -4.313 1.00 0.73 C ATOM 0 H MET A 556 10.940 6.820 -4.181 1.00 0.58 H new ATOM 0 HA MET A 556 9.248 6.608 -6.475 1.00 0.58 H new ATOM 0 HB2 MET A 556 10.023 4.979 -4.512 1.00 0.69 H new ATOM 0 HB3 MET A 556 8.739 5.737 -3.592 1.00 0.69 H new ATOM 0 HG2 MET A 556 7.060 4.985 -5.187 1.00 0.65 H new ATOM 0 HG3 MET A 556 8.294 4.396 -6.283 1.00 0.65 H new ATOM 0 HE1 MET A 556 9.837 1.421 -4.009 1.00 0.73 H new ATOM 0 HE2 MET A 556 10.215 2.604 -5.284 1.00 0.73 H new ATOM 0 HE3 MET A 556 10.223 3.103 -3.575 1.00 0.73 H new ATOM 349 N LEU A 557 8.257 8.721 -4.249 1.00 0.61 N ATOM 350 CA LEU A 557 7.186 9.610 -3.787 1.00 0.65 C ATOM 351 C LEU A 557 7.001 10.859 -4.673 1.00 0.74 C ATOM 352 O LEU A 557 5.966 11.515 -4.583 1.00 0.78 O ATOM 353 CB LEU A 557 7.478 10.051 -2.336 1.00 0.74 C ATOM 354 CG LEU A 557 7.876 8.940 -1.346 1.00 0.76 C ATOM 355 CD1 LEU A 557 8.193 9.549 0.017 1.00 0.89 C ATOM 356 CD2 LEU A 557 6.780 7.889 -1.170 1.00 0.78 C ATOM 0 H LEU A 557 9.156 8.909 -3.805 1.00 0.61 H new ATOM 0 HA LEU A 557 6.258 9.042 -3.845 1.00 0.65 H new ATOM 0 HB2 LEU A 557 8.279 10.790 -2.359 1.00 0.74 H new ATOM 0 HB3 LEU A 557 6.592 10.553 -1.947 1.00 0.74 H new ATOM 0 HG LEU A 557 8.753 8.446 -1.764 1.00 0.76 H new ATOM 0 HD11 LEU A 557 8.474 8.758 0.713 1.00 0.89 H new ATOM 0 HD12 LEU A 557 9.018 10.254 -0.083 1.00 0.89 H new ATOM 0 HD13 LEU A 557 7.314 10.070 0.396 1.00 0.89 H new ATOM 0 HD21 LEU A 557 7.114 7.130 -0.462 1.00 0.78 H new ATOM 0 HD22 LEU A 557 5.876 8.366 -0.791 1.00 0.78 H new ATOM 0 HD23 LEU A 557 6.568 7.420 -2.131 1.00 0.78 H new ATOM 368 N THR A 558 7.972 11.197 -5.537 1.00 0.84 N ATOM 369 CA THR A 558 8.057 12.490 -6.260 1.00 1.06 C ATOM 370 C THR A 558 6.760 12.903 -6.977 1.00 1.20 C ATOM 371 O THR A 558 6.347 14.065 -6.904 1.00 1.57 O ATOM 372 CB THR A 558 9.251 12.476 -7.239 1.00 1.09 C ATOM 373 OG1 THR A 558 9.372 13.710 -7.918 1.00 2.56 O ATOM 374 CG2 THR A 558 9.160 11.405 -8.329 1.00 1.99 C ATOM 0 H THR A 558 8.742 10.567 -5.762 1.00 0.84 H new ATOM 0 HA THR A 558 8.215 13.252 -5.497 1.00 1.06 H new ATOM 0 HB THR A 558 10.108 12.267 -6.599 1.00 1.09 H new ATOM 0 HG1 THR A 558 10.137 13.673 -8.530 1.00 2.56 H new ATOM 0 HG21 THR A 558 10.038 11.465 -8.972 1.00 1.99 H new ATOM 0 HG22 THR A 558 9.115 10.419 -7.867 1.00 1.99 H new ATOM 0 HG23 THR A 558 8.262 11.568 -8.925 1.00 1.99 H new ATOM 382 N LYS A 559 6.086 11.929 -7.603 1.00 1.09 N ATOM 383 CA LYS A 559 4.819 12.053 -8.353 1.00 1.24 C ATOM 384 C LYS A 559 3.595 11.478 -7.627 1.00 1.24 C ATOM 385 O LYS A 559 2.509 11.419 -8.204 1.00 1.56 O ATOM 386 CB LYS A 559 4.994 11.372 -9.725 1.00 1.29 C ATOM 387 CG LYS A 559 5.352 9.871 -9.613 1.00 1.37 C ATOM 388 CD LYS A 559 4.477 8.954 -10.476 1.00 1.60 C ATOM 389 CE LYS A 559 3.066 8.758 -9.898 1.00 1.94 C ATOM 390 NZ LYS A 559 2.184 8.032 -10.843 1.00 2.71 N ATOM 0 H LYS A 559 6.430 10.969 -7.602 1.00 1.09 H new ATOM 0 HA LYS A 559 4.614 13.118 -8.460 1.00 1.24 H new ATOM 0 HB2 LYS A 559 4.073 11.478 -10.298 1.00 1.29 H new ATOM 0 HB3 LYS A 559 5.777 11.886 -10.283 1.00 1.29 H new ATOM 0 HG2 LYS A 559 6.395 9.735 -9.899 1.00 1.37 H new ATOM 0 HG3 LYS A 559 5.264 9.564 -8.571 1.00 1.37 H new ATOM 0 HD2 LYS A 559 4.398 9.373 -11.479 1.00 1.60 H new ATOM 0 HD3 LYS A 559 4.963 7.983 -10.574 1.00 1.60 H new ATOM 0 HE2 LYS A 559 3.130 8.205 -8.961 1.00 1.94 H new ATOM 0 HE3 LYS A 559 2.630 9.729 -9.665 1.00 1.94 H new ATOM 0 HZ1 LYS A 559 1.203 8.065 -10.498 1.00 2.71 H new ATOM 0 HZ2 LYS A 559 2.237 8.479 -11.780 1.00 2.71 H new ATOM 0 HZ3 LYS A 559 2.492 7.041 -10.914 1.00 2.71 H new ATOM 404 N LEU A 560 3.768 10.961 -6.413 1.00 0.96 N ATOM 405 CA LEU A 560 2.800 10.120 -5.714 1.00 0.89 C ATOM 406 C LEU A 560 1.498 10.881 -5.425 1.00 1.00 C ATOM 407 O LEU A 560 1.528 12.099 -5.206 1.00 1.27 O ATOM 408 CB LEU A 560 3.446 9.637 -4.411 1.00 0.94 C ATOM 409 CG LEU A 560 2.629 8.541 -3.724 1.00 0.78 C ATOM 410 CD1 LEU A 560 2.462 7.376 -4.674 1.00 2.28 C ATOM 411 CD2 LEU A 560 3.338 7.972 -2.504 1.00 1.17 C ATOM 0 H LEU A 560 4.616 11.122 -5.870 1.00 0.96 H new ATOM 0 HA LEU A 560 2.534 9.270 -6.343 1.00 0.89 H new ATOM 0 HB2 LEU A 560 4.447 9.261 -4.623 1.00 0.94 H new ATOM 0 HB3 LEU A 560 3.560 10.481 -3.731 1.00 0.94 H new ATOM 0 HG LEU A 560 1.683 8.996 -3.431 1.00 0.78 H new ATOM 0 HD11 LEU A 560 1.880 6.592 -4.189 1.00 2.28 H new ATOM 0 HD12 LEU A 560 1.943 7.710 -5.572 1.00 2.28 H new ATOM 0 HD13 LEU A 560 3.442 6.985 -4.946 1.00 2.28 H new ATOM 0 HD21 LEU A 560 2.718 7.198 -2.051 1.00 1.17 H new ATOM 0 HD22 LEU A 560 4.293 7.542 -2.806 1.00 1.17 H new ATOM 0 HD23 LEU A 560 3.511 8.768 -1.780 1.00 1.17 H new ATOM 423 N LYS A 561 0.373 10.159 -5.379 1.00 0.94 N ATOM 424 CA LYS A 561 -0.955 10.731 -5.120 1.00 1.13 C ATOM 425 C LYS A 561 -1.565 10.290 -3.790 1.00 1.02 C ATOM 426 O LYS A 561 -1.648 9.096 -3.484 1.00 0.72 O ATOM 427 CB LYS A 561 -1.904 10.430 -6.288 1.00 1.42 C ATOM 428 CG LYS A 561 -2.872 11.590 -6.579 1.00 1.86 C ATOM 429 CD LYS A 561 -2.425 12.452 -7.773 1.00 2.28 C ATOM 430 CE LYS A 561 -1.030 13.083 -7.615 1.00 2.31 C ATOM 431 NZ LYS A 561 -0.732 13.973 -8.761 1.00 2.68 N ATOM 0 H LYS A 561 0.358 9.149 -5.522 1.00 0.94 H new ATOM 0 HA LYS A 561 -0.815 11.809 -5.037 1.00 1.13 H new ATOM 0 HB2 LYS A 561 -1.318 10.218 -7.182 1.00 1.42 H new ATOM 0 HB3 LYS A 561 -2.478 9.531 -6.063 1.00 1.42 H new ATOM 0 HG2 LYS A 561 -3.865 11.188 -6.778 1.00 1.86 H new ATOM 0 HG3 LYS A 561 -2.955 12.219 -5.693 1.00 1.86 H new ATOM 0 HD2 LYS A 561 -2.432 11.837 -8.673 1.00 2.28 H new ATOM 0 HD3 LYS A 561 -3.155 13.247 -7.925 1.00 2.28 H new ATOM 0 HE2 LYS A 561 -0.984 13.650 -6.685 1.00 2.31 H new ATOM 0 HE3 LYS A 561 -0.275 12.300 -7.549 1.00 2.31 H new ATOM 0 HZ1 LYS A 561 0.213 14.391 -8.640 1.00 2.68 H new ATOM 0 HZ2 LYS A 561 -0.756 13.423 -9.643 1.00 2.68 H new ATOM 0 HZ3 LYS A 561 -1.443 14.731 -8.806 1.00 2.68 H new ATOM 445 N PHE A 562 -2.051 11.280 -3.051 1.00 1.48 N ATOM 446 CA PHE A 562 -2.932 11.094 -1.896 1.00 1.37 C ATOM 447 C PHE A 562 -4.400 11.184 -2.331 1.00 1.33 C ATOM 448 O PHE A 562 -4.723 11.866 -3.305 1.00 1.47 O ATOM 449 CB PHE A 562 -2.539 12.007 -0.721 1.00 1.51 C ATOM 450 CG PHE A 562 -3.405 13.227 -0.472 1.00 1.44 C ATOM 451 CD1 PHE A 562 -4.626 13.086 0.213 1.00 2.10 C ATOM 452 CD2 PHE A 562 -2.966 14.504 -0.865 1.00 2.72 C ATOM 453 CE1 PHE A 562 -5.416 14.220 0.486 1.00 2.16 C ATOM 454 CE2 PHE A 562 -3.744 15.638 -0.571 1.00 2.87 C ATOM 455 CZ PHE A 562 -4.967 15.497 0.105 1.00 1.76 C ATOM 0 H PHE A 562 -1.840 12.260 -3.240 1.00 1.48 H new ATOM 0 HA PHE A 562 -2.803 10.088 -1.497 1.00 1.37 H new ATOM 0 HB2 PHE A 562 -2.534 11.405 0.188 1.00 1.51 H new ATOM 0 HB3 PHE A 562 -1.516 12.346 -0.884 1.00 1.51 H new ATOM 0 HD1 PHE A 562 -4.958 12.108 0.530 1.00 2.10 H new ATOM 0 HD2 PHE A 562 -2.030 14.614 -1.393 1.00 2.72 H new ATOM 0 HE1 PHE A 562 -6.366 14.109 0.988 1.00 2.16 H new ATOM 0 HE2 PHE A 562 -3.401 16.619 -0.865 1.00 2.87 H new ATOM 0 HZ PHE A 562 -5.562 16.369 0.332 1.00 1.76 H new ATOM 465 N GLU A 563 -5.296 10.479 -1.642 1.00 1.18 N ATOM 466 CA GLU A 563 -6.706 10.353 -2.019 1.00 1.15 C ATOM 467 C GLU A 563 -7.620 10.209 -0.782 1.00 0.91 C ATOM 468 O GLU A 563 -7.144 9.957 0.322 1.00 0.96 O ATOM 469 CB GLU A 563 -6.828 9.201 -3.040 1.00 1.35 C ATOM 470 CG GLU A 563 -7.025 7.794 -2.465 1.00 2.32 C ATOM 471 CD GLU A 563 -7.182 6.777 -3.601 1.00 2.68 C ATOM 472 OE1 GLU A 563 -8.134 6.896 -4.410 1.00 2.42 O ATOM 473 OE2 GLU A 563 -6.345 5.850 -3.702 1.00 4.01 O ATOM 0 H GLU A 563 -5.060 9.970 -0.791 1.00 1.18 H new ATOM 0 HA GLU A 563 -7.059 11.265 -2.500 1.00 1.15 H new ATOM 0 HB2 GLU A 563 -7.666 9.419 -3.702 1.00 1.35 H new ATOM 0 HB3 GLU A 563 -5.929 9.195 -3.656 1.00 1.35 H new ATOM 0 HG2 GLU A 563 -6.172 7.525 -1.841 1.00 2.32 H new ATOM 0 HG3 GLU A 563 -7.907 7.775 -1.825 1.00 2.32 H new ATOM 480 N VAL A 564 -8.933 10.398 -0.927 1.00 0.78 N ATOM 481 CA VAL A 564 -9.906 10.403 0.179 1.00 0.70 C ATOM 482 C VAL A 564 -11.065 9.428 -0.034 1.00 0.74 C ATOM 483 O VAL A 564 -11.471 9.145 -1.167 1.00 0.93 O ATOM 484 CB VAL A 564 -10.427 11.838 0.405 1.00 0.77 C ATOM 485 CG1 VAL A 564 -11.439 11.985 1.538 1.00 0.97 C ATOM 486 CG2 VAL A 564 -9.256 12.782 0.709 1.00 0.73 C ATOM 0 H VAL A 564 -9.365 10.556 -1.837 1.00 0.78 H new ATOM 0 HA VAL A 564 -9.384 10.056 1.071 1.00 0.70 H new ATOM 0 HB VAL A 564 -10.939 12.093 -0.523 1.00 0.77 H new ATOM 0 HG11 VAL A 564 -11.746 13.028 1.619 1.00 0.97 H new ATOM 0 HG12 VAL A 564 -12.311 11.365 1.329 1.00 0.97 H new ATOM 0 HG13 VAL A 564 -10.984 11.667 2.476 1.00 0.97 H new ATOM 0 HG21 VAL A 564 -9.634 13.792 0.867 1.00 0.73 H new ATOM 0 HG22 VAL A 564 -8.739 12.443 1.607 1.00 0.73 H new ATOM 0 HG23 VAL A 564 -8.561 12.782 -0.131 1.00 0.73 H new ATOM 496 N PHE A 565 -11.629 8.952 1.081 1.00 0.70 N ATOM 497 CA PHE A 565 -12.968 8.343 1.131 1.00 0.77 C ATOM 498 C PHE A 565 -13.781 8.884 2.322 1.00 0.79 C ATOM 499 O PHE A 565 -13.209 9.194 3.367 1.00 0.76 O ATOM 500 CB PHE A 565 -12.869 6.811 1.177 1.00 0.75 C ATOM 501 CG PHE A 565 -12.171 6.169 -0.010 1.00 0.75 C ATOM 502 CD1 PHE A 565 -10.763 6.183 -0.116 1.00 1.98 C ATOM 503 CD2 PHE A 565 -12.934 5.510 -0.990 1.00 1.61 C ATOM 504 CE1 PHE A 565 -10.131 5.575 -1.216 1.00 2.07 C ATOM 505 CE2 PHE A 565 -12.298 4.874 -2.069 1.00 1.55 C ATOM 506 CZ PHE A 565 -10.898 4.917 -2.191 1.00 0.86 C ATOM 0 H PHE A 565 -11.164 8.978 1.988 1.00 0.70 H new ATOM 0 HA PHE A 565 -13.497 8.619 0.219 1.00 0.77 H new ATOM 0 HB2 PHE A 565 -12.341 6.525 2.086 1.00 0.75 H new ATOM 0 HB3 PHE A 565 -13.876 6.400 1.251 1.00 0.75 H new ATOM 0 HD1 PHE A 565 -10.170 6.662 0.649 1.00 1.98 H new ATOM 0 HD2 PHE A 565 -14.011 5.493 -0.913 1.00 1.61 H new ATOM 0 HE1 PHE A 565 -9.056 5.614 -1.311 1.00 2.07 H new ATOM 0 HE2 PHE A 565 -12.887 4.350 -2.808 1.00 1.55 H new ATOM 0 HZ PHE A 565 -10.413 4.445 -3.033 1.00 0.86 H new ATOM 516 N GLN A 566 -15.106 8.995 2.174 1.00 0.88 N ATOM 517 CA GLN A 566 -16.032 9.443 3.231 1.00 0.90 C ATOM 518 C GLN A 566 -16.463 8.259 4.140 1.00 0.87 C ATOM 519 O GLN A 566 -16.315 7.103 3.736 1.00 0.88 O ATOM 520 CB GLN A 566 -17.269 10.096 2.575 1.00 0.98 C ATOM 521 CG GLN A 566 -17.050 11.241 1.583 1.00 1.34 C ATOM 522 CD GLN A 566 -16.060 12.265 2.090 1.00 1.25 C ATOM 523 OE1 GLN A 566 -16.274 12.988 3.054 1.00 2.70 O ATOM 524 NE2 GLN A 566 -14.911 12.339 1.477 1.00 1.04 N ATOM 0 H GLN A 566 -15.579 8.772 1.298 1.00 0.88 H new ATOM 0 HA GLN A 566 -15.522 10.172 3.861 1.00 0.90 H new ATOM 0 HB2 GLN A 566 -17.824 9.312 2.059 1.00 0.98 H new ATOM 0 HB3 GLN A 566 -17.911 10.468 3.374 1.00 0.98 H new ATOM 0 HG2 GLN A 566 -16.694 10.834 0.636 1.00 1.34 H new ATOM 0 HG3 GLN A 566 -18.003 11.730 1.382 1.00 1.34 H new ATOM 0 HE21 GLN A 566 -14.723 11.741 0.673 1.00 1.04 H new ATOM 0 HE22 GLN A 566 -14.201 12.995 1.802 1.00 1.04 H new ATOM 533 N PRO A 567 -17.031 8.503 5.343 1.00 0.90 N ATOM 534 CA PRO A 567 -17.422 7.427 6.258 1.00 0.91 C ATOM 535 C PRO A 567 -18.460 6.446 5.687 1.00 0.93 C ATOM 536 O PRO A 567 -19.427 6.849 5.025 1.00 1.11 O ATOM 537 CB PRO A 567 -17.989 8.103 7.513 1.00 0.97 C ATOM 538 CG PRO A 567 -17.573 9.569 7.425 1.00 0.96 C ATOM 539 CD PRO A 567 -17.259 9.810 5.950 1.00 0.95 C ATOM 0 HA PRO A 567 -16.541 6.818 6.459 1.00 0.91 H new ATOM 0 HB2 PRO A 567 -19.074 8.007 7.552 1.00 0.97 H new ATOM 0 HB3 PRO A 567 -17.596 7.639 8.418 1.00 0.97 H new ATOM 0 HG2 PRO A 567 -18.372 10.226 7.770 1.00 0.96 H new ATOM 0 HG3 PRO A 567 -16.703 9.769 8.050 1.00 0.96 H new ATOM 0 HD2 PRO A 567 -18.085 10.324 5.459 1.00 0.95 H new ATOM 0 HD3 PRO A 567 -16.379 10.444 5.842 1.00 0.95 H new ATOM 547 N GLY A 568 -18.308 5.162 6.021 1.00 0.80 N ATOM 548 CA GLY A 568 -19.317 4.121 5.851 1.00 0.85 C ATOM 549 C GLY A 568 -19.282 3.471 4.471 1.00 0.90 C ATOM 550 O GLY A 568 -20.231 2.769 4.108 1.00 1.29 O ATOM 0 H GLY A 568 -17.444 4.809 6.433 1.00 0.80 H new ATOM 0 HA2 GLY A 568 -19.170 3.354 6.611 1.00 0.85 H new ATOM 0 HA3 GLY A 568 -20.305 4.550 6.019 1.00 0.85 H new ATOM 554 N ASP A 569 -18.224 3.728 3.697 1.00 0.80 N ATOM 555 CA ASP A 569 -18.067 3.291 2.317 1.00 0.87 C ATOM 556 C ASP A 569 -16.850 2.365 2.137 1.00 0.73 C ATOM 557 O ASP A 569 -15.806 2.544 2.768 1.00 0.68 O ATOM 558 CB ASP A 569 -18.029 4.525 1.395 1.00 1.05 C ATOM 559 CG ASP A 569 -18.125 4.198 -0.100 1.00 1.16 C ATOM 560 OD1 ASP A 569 -18.571 3.084 -0.465 1.00 2.72 O ATOM 561 OD2 ASP A 569 -17.776 5.075 -0.929 1.00 1.46 O ATOM 0 H ASP A 569 -17.426 4.267 4.032 1.00 0.80 H new ATOM 0 HA ASP A 569 -18.927 2.684 2.034 1.00 0.87 H new ATOM 0 HB2 ASP A 569 -18.850 5.190 1.663 1.00 1.05 H new ATOM 0 HB3 ASP A 569 -17.104 5.072 1.577 1.00 1.05 H new ATOM 566 N TYR A 570 -16.981 1.359 1.271 1.00 0.79 N ATOM 567 CA TYR A 570 -15.921 0.387 0.992 1.00 0.78 C ATOM 568 C TYR A 570 -14.869 0.987 0.051 1.00 0.74 C ATOM 569 O TYR A 570 -15.208 1.484 -1.029 1.00 0.81 O ATOM 570 CB TYR A 570 -16.509 -0.938 0.488 1.00 0.98 C ATOM 571 CG TYR A 570 -17.139 -1.760 1.601 1.00 1.21 C ATOM 572 CD1 TYR A 570 -18.430 -1.452 2.072 1.00 1.82 C ATOM 573 CD2 TYR A 570 -16.412 -2.803 2.207 1.00 2.54 C ATOM 574 CE1 TYR A 570 -18.983 -2.165 3.153 1.00 1.97 C ATOM 575 CE2 TYR A 570 -16.961 -3.512 3.293 1.00 2.80 C ATOM 576 CZ TYR A 570 -18.245 -3.190 3.780 1.00 1.85 C ATOM 577 OH TYR A 570 -18.755 -3.856 4.850 1.00 2.22 O ATOM 0 H TYR A 570 -17.835 1.194 0.738 1.00 0.79 H new ATOM 0 HA TYR A 570 -15.401 0.151 1.920 1.00 0.78 H new ATOM 0 HB2 TYR A 570 -17.259 -0.731 -0.275 1.00 0.98 H new ATOM 0 HB3 TYR A 570 -15.722 -1.522 0.011 1.00 0.98 H new ATOM 0 HD1 TYR A 570 -18.999 -0.664 1.601 1.00 1.82 H new ATOM 0 HD2 TYR A 570 -15.430 -3.060 1.838 1.00 2.54 H new ATOM 0 HE1 TYR A 570 -19.976 -1.926 3.503 1.00 1.97 H new ATOM 0 HE2 TYR A 570 -16.395 -4.307 3.756 1.00 2.80 H new ATOM 0 HH TYR A 570 -18.230 -4.668 5.011 1.00 2.22 H new ATOM 587 N ILE A 571 -13.593 0.937 0.452 1.00 0.73 N ATOM 588 CA ILE A 571 -12.496 1.619 -0.254 1.00 0.79 C ATOM 589 C ILE A 571 -11.912 0.781 -1.410 1.00 0.87 C ATOM 590 O ILE A 571 -11.423 1.338 -2.395 1.00 1.05 O ATOM 591 CB ILE A 571 -11.395 2.049 0.744 1.00 0.83 C ATOM 592 CG1 ILE A 571 -10.780 0.855 1.491 1.00 0.88 C ATOM 593 CG2 ILE A 571 -11.888 3.039 1.811 1.00 0.80 C ATOM 594 CD1 ILE A 571 -9.350 1.116 1.904 1.00 1.00 C ATOM 0 H ILE A 571 -13.289 0.421 1.278 1.00 0.73 H new ATOM 0 HA ILE A 571 -12.919 2.512 -0.714 1.00 0.79 H new ATOM 0 HB ILE A 571 -10.650 2.533 0.113 1.00 0.83 H new ATOM 0 HG12 ILE A 571 -11.378 0.635 2.376 1.00 0.88 H new ATOM 0 HG13 ILE A 571 -10.817 -0.028 0.854 1.00 0.88 H new ATOM 0 HG21 ILE A 571 -11.064 3.297 2.476 1.00 0.80 H new ATOM 0 HG22 ILE A 571 -12.259 3.942 1.326 1.00 0.80 H new ATOM 0 HG23 ILE A 571 -12.691 2.581 2.389 1.00 0.80 H new ATOM 0 HD11 ILE A 571 -8.958 0.245 2.428 1.00 1.00 H new ATOM 0 HD12 ILE A 571 -8.745 1.309 1.018 1.00 1.00 H new ATOM 0 HD13 ILE A 571 -9.314 1.983 2.564 1.00 1.00 H new ATOM 606 N ILE A 572 -11.957 -0.552 -1.281 1.00 0.83 N ATOM 607 CA ILE A 572 -11.307 -1.551 -2.139 1.00 0.89 C ATOM 608 C ILE A 572 -12.274 -2.711 -2.440 1.00 1.06 C ATOM 609 O ILE A 572 -13.032 -3.132 -1.561 1.00 1.49 O ATOM 610 CB ILE A 572 -10.020 -2.078 -1.449 1.00 1.26 C ATOM 611 CG1 ILE A 572 -8.963 -0.955 -1.418 1.00 1.80 C ATOM 612 CG2 ILE A 572 -9.434 -3.318 -2.151 1.00 1.41 C ATOM 613 CD1 ILE A 572 -7.684 -1.287 -0.644 1.00 1.56 C ATOM 0 H ILE A 572 -12.483 -0.989 -0.525 1.00 0.83 H new ATOM 0 HA ILE A 572 -11.033 -1.083 -3.084 1.00 0.89 H new ATOM 0 HB ILE A 572 -10.292 -2.380 -0.438 1.00 1.26 H new ATOM 0 HG12 ILE A 572 -8.693 -0.703 -2.444 1.00 1.80 H new ATOM 0 HG13 ILE A 572 -9.414 -0.065 -0.979 1.00 1.80 H new ATOM 0 HG21 ILE A 572 -8.536 -3.643 -1.626 1.00 1.41 H new ATOM 0 HG22 ILE A 572 -10.170 -4.122 -2.143 1.00 1.41 H new ATOM 0 HG23 ILE A 572 -9.181 -3.067 -3.181 1.00 1.41 H new ATOM 0 HD11 ILE A 572 -7.005 -0.435 -0.681 1.00 1.56 H new ATOM 0 HD12 ILE A 572 -7.934 -1.507 0.394 1.00 1.56 H new ATOM 0 HD13 ILE A 572 -7.202 -2.155 -1.093 1.00 1.56 H new ATOM 625 N ARG A 573 -12.170 -3.301 -3.636 1.00 1.24 N ATOM 626 CA ARG A 573 -12.664 -4.654 -3.971 1.00 1.79 C ATOM 627 C ARG A 573 -11.485 -5.572 -4.326 1.00 1.82 C ATOM 628 O ARG A 573 -10.484 -5.093 -4.867 1.00 1.79 O ATOM 629 CB ARG A 573 -13.674 -4.547 -5.135 1.00 2.59 C ATOM 630 CG ARG A 573 -14.496 -5.829 -5.361 1.00 3.90 C ATOM 631 CD ARG A 573 -15.136 -5.902 -6.755 1.00 4.46 C ATOM 632 NE ARG A 573 -16.319 -5.033 -6.895 1.00 5.03 N ATOM 633 CZ ARG A 573 -17.118 -4.985 -7.947 1.00 6.12 C ATOM 634 NH1 ARG A 573 -16.852 -5.614 -9.057 1.00 6.91 N ATOM 635 NH2 ARG A 573 -18.227 -4.307 -7.908 1.00 6.92 N ATOM 0 H ARG A 573 -11.725 -2.839 -4.429 1.00 1.24 H new ATOM 0 HA ARG A 573 -13.172 -5.092 -3.112 1.00 1.79 H new ATOM 0 HB2 ARG A 573 -14.355 -3.719 -4.938 1.00 2.59 H new ATOM 0 HB3 ARG A 573 -13.135 -4.305 -6.051 1.00 2.59 H new ATOM 0 HG2 ARG A 573 -13.851 -6.696 -5.219 1.00 3.90 H new ATOM 0 HG3 ARG A 573 -15.279 -5.888 -4.606 1.00 3.90 H new ATOM 0 HD2 ARG A 573 -14.395 -5.620 -7.503 1.00 4.46 H new ATOM 0 HD3 ARG A 573 -15.423 -6.933 -6.963 1.00 4.46 H new ATOM 0 HE ARG A 573 -16.540 -4.416 -6.113 1.00 5.03 H new ATOM 0 HH11 ARG A 573 -16.000 -6.170 -9.137 1.00 6.91 H new ATOM 0 HH12 ARG A 573 -17.496 -5.551 -9.846 1.00 6.91 H new ATOM 0 HH21 ARG A 573 -18.488 -3.805 -7.059 1.00 6.92 H new ATOM 0 HH22 ARG A 573 -18.836 -4.277 -8.726 1.00 6.92 H new ATOM 649 N GLU A 574 -11.567 -6.877 -4.068 1.00 2.45 N ATOM 650 CA GLU A 574 -10.691 -7.857 -4.728 1.00 2.52 C ATOM 651 C GLU A 574 -11.321 -8.429 -6.008 1.00 2.72 C ATOM 652 O GLU A 574 -12.520 -8.714 -6.061 1.00 3.69 O ATOM 653 CB GLU A 574 -10.205 -8.973 -3.778 1.00 3.72 C ATOM 654 CG GLU A 574 -8.671 -9.114 -3.789 1.00 4.06 C ATOM 655 CD GLU A 574 -8.096 -9.315 -5.198 1.00 4.22 C ATOM 656 OE1 GLU A 574 -7.909 -8.276 -5.878 1.00 4.41 O ATOM 657 OE2 GLU A 574 -7.949 -10.473 -5.648 1.00 4.97 O ATOM 0 H GLU A 574 -12.229 -7.284 -3.408 1.00 2.45 H new ATOM 0 HA GLU A 574 -9.800 -7.304 -5.026 1.00 2.52 H new ATOM 0 HB2 GLU A 574 -10.542 -8.758 -2.764 1.00 3.72 H new ATOM 0 HB3 GLU A 574 -10.658 -9.920 -4.070 1.00 3.72 H new ATOM 0 HG2 GLU A 574 -8.227 -8.223 -3.345 1.00 4.06 H new ATOM 0 HG3 GLU A 574 -8.385 -9.959 -3.162 1.00 4.06 H new ATOM 664 N GLY A 575 -10.489 -8.601 -7.036 1.00 2.32 N ATOM 665 CA GLY A 575 -10.905 -9.074 -8.352 1.00 3.04 C ATOM 666 C GLY A 575 -9.808 -9.093 -9.421 1.00 2.76 C ATOM 667 O GLY A 575 -10.139 -9.297 -10.588 1.00 3.42 O ATOM 0 H GLY A 575 -9.489 -8.411 -6.974 1.00 2.32 H new ATOM 0 HA2 GLY A 575 -11.304 -10.083 -8.247 1.00 3.04 H new ATOM 0 HA3 GLY A 575 -11.721 -8.444 -8.705 1.00 3.04 H new ATOM 671 N THR A 576 -8.522 -8.882 -9.091 1.00 2.17 N ATOM 672 CA THR A 576 -7.446 -8.955 -10.102 1.00 2.13 C ATOM 673 C THR A 576 -6.092 -9.382 -9.551 1.00 2.19 C ATOM 674 O THR A 576 -5.710 -9.084 -8.424 1.00 2.35 O ATOM 675 CB THR A 576 -7.304 -7.645 -10.900 1.00 2.35 C ATOM 676 OG1 THR A 576 -6.393 -7.770 -11.975 1.00 2.59 O ATOM 677 CG2 THR A 576 -6.862 -6.446 -10.065 1.00 2.86 C ATOM 0 H THR A 576 -8.203 -8.663 -8.147 1.00 2.17 H new ATOM 0 HA THR A 576 -7.770 -9.747 -10.777 1.00 2.13 H new ATOM 0 HB THR A 576 -8.314 -7.461 -11.266 1.00 2.35 H new ATOM 0 HG1 THR A 576 -5.477 -7.787 -11.627 1.00 2.59 H new ATOM 0 HG21 THR A 576 -6.787 -5.566 -10.704 1.00 2.86 H new ATOM 0 HG22 THR A 576 -7.593 -6.262 -9.277 1.00 2.86 H new ATOM 0 HG23 THR A 576 -5.890 -6.653 -9.617 1.00 2.86 H new ATOM 685 N ILE A 577 -5.323 -10.019 -10.428 1.00 2.26 N ATOM 686 CA ILE A 577 -3.874 -10.163 -10.307 1.00 2.23 C ATOM 687 C ILE A 577 -3.214 -8.781 -10.507 1.00 2.20 C ATOM 688 O ILE A 577 -3.670 -7.985 -11.337 1.00 2.27 O ATOM 689 CB ILE A 577 -3.393 -11.201 -11.359 1.00 2.24 C ATOM 690 CG1 ILE A 577 -3.851 -12.634 -10.996 1.00 2.37 C ATOM 691 CG2 ILE A 577 -1.867 -11.220 -11.527 1.00 2.34 C ATOM 692 CD1 ILE A 577 -5.186 -13.050 -11.615 1.00 2.42 C ATOM 0 H ILE A 577 -5.700 -10.462 -11.266 1.00 2.26 H new ATOM 0 HA ILE A 577 -3.591 -10.525 -9.319 1.00 2.23 H new ATOM 0 HB ILE A 577 -3.848 -10.884 -12.298 1.00 2.24 H new ATOM 0 HG12 ILE A 577 -3.083 -13.339 -11.314 1.00 2.37 H new ATOM 0 HG13 ILE A 577 -3.928 -12.713 -9.912 1.00 2.37 H new ATOM 0 HG21 ILE A 577 -1.592 -11.964 -12.274 1.00 2.34 H new ATOM 0 HG22 ILE A 577 -1.524 -10.237 -11.851 1.00 2.34 H new ATOM 0 HG23 ILE A 577 -1.399 -11.472 -10.575 1.00 2.34 H new ATOM 0 HD11 ILE A 577 -5.428 -14.067 -11.307 1.00 2.42 H new ATOM 0 HD12 ILE A 577 -5.970 -12.372 -11.278 1.00 2.42 H new ATOM 0 HD13 ILE A 577 -5.112 -13.007 -12.702 1.00 2.42 H new ATOM 704 N GLY A 578 -2.121 -8.498 -9.791 1.00 2.24 N ATOM 705 CA GLY A 578 -1.299 -7.298 -10.005 1.00 2.27 C ATOM 706 C GLY A 578 -1.858 -6.041 -9.335 1.00 2.17 C ATOM 707 O GLY A 578 -1.988 -4.999 -9.980 1.00 2.11 O ATOM 0 H GLY A 578 -1.778 -9.098 -9.041 1.00 2.24 H new ATOM 0 HA2 GLY A 578 -0.294 -7.485 -9.626 1.00 2.27 H new ATOM 0 HA3 GLY A 578 -1.207 -7.118 -11.076 1.00 2.27 H new ATOM 711 N LYS A 579 -2.230 -6.152 -8.055 1.00 2.36 N ATOM 712 CA LYS A 579 -2.851 -5.081 -7.255 1.00 2.35 C ATOM 713 C LYS A 579 -1.913 -3.874 -7.024 1.00 1.67 C ATOM 714 O LYS A 579 -0.696 -3.992 -7.166 1.00 1.56 O ATOM 715 CB LYS A 579 -3.342 -5.714 -5.930 1.00 3.19 C ATOM 716 CG LYS A 579 -4.613 -5.090 -5.335 1.00 3.67 C ATOM 717 CD LYS A 579 -5.859 -5.338 -6.204 1.00 2.91 C ATOM 718 CE LYS A 579 -7.117 -4.787 -5.542 1.00 3.90 C ATOM 719 NZ LYS A 579 -7.681 -5.765 -4.589 1.00 5.15 N ATOM 0 H LYS A 579 -2.105 -7.016 -7.527 1.00 2.36 H new ATOM 0 HA LYS A 579 -3.694 -4.660 -7.803 1.00 2.35 H new ATOM 0 HB2 LYS A 579 -3.523 -6.775 -6.099 1.00 3.19 H new ATOM 0 HB3 LYS A 579 -2.542 -5.641 -5.193 1.00 3.19 H new ATOM 0 HG2 LYS A 579 -4.782 -5.500 -4.339 1.00 3.67 H new ATOM 0 HG3 LYS A 579 -4.465 -4.017 -5.217 1.00 3.67 H new ATOM 0 HD2 LYS A 579 -5.724 -4.869 -7.179 1.00 2.91 H new ATOM 0 HD3 LYS A 579 -5.976 -6.408 -6.378 1.00 2.91 H new ATOM 0 HE2 LYS A 579 -6.882 -3.859 -5.021 1.00 3.90 H new ATOM 0 HE3 LYS A 579 -7.858 -4.546 -6.304 1.00 3.90 H new ATOM 0 HZ1 LYS A 579 -8.670 -5.518 -4.383 1.00 5.15 H new ATOM 0 HZ2 LYS A 579 -7.641 -6.717 -5.005 1.00 5.15 H new ATOM 0 HZ3 LYS A 579 -7.129 -5.749 -3.708 1.00 5.15 H new ATOM 733 N LYS A 580 -2.460 -2.721 -6.622 1.00 1.58 N ATOM 734 CA LYS A 580 -1.683 -1.519 -6.242 1.00 1.22 C ATOM 735 C LYS A 580 -1.262 -1.597 -4.766 1.00 1.39 C ATOM 736 O LYS A 580 -1.637 -2.536 -4.062 1.00 1.96 O ATOM 737 CB LYS A 580 -2.509 -0.232 -6.472 1.00 1.46 C ATOM 738 CG LYS A 580 -3.271 -0.116 -7.802 1.00 1.66 C ATOM 739 CD LYS A 580 -2.311 0.078 -8.979 1.00 2.58 C ATOM 740 CE LYS A 580 -3.059 0.411 -10.275 1.00 3.64 C ATOM 741 NZ LYS A 580 -3.681 -0.779 -10.896 1.00 4.77 N ATOM 0 H LYS A 580 -3.468 -2.587 -6.548 1.00 1.58 H new ATOM 0 HA LYS A 580 -0.793 -1.485 -6.871 1.00 1.22 H new ATOM 0 HB2 LYS A 580 -3.231 -0.144 -5.660 1.00 1.46 H new ATOM 0 HB3 LYS A 580 -1.835 0.621 -6.393 1.00 1.46 H new ATOM 0 HG2 LYS A 580 -3.868 -1.014 -7.961 1.00 1.66 H new ATOM 0 HG3 LYS A 580 -3.965 0.723 -7.754 1.00 1.66 H new ATOM 0 HD2 LYS A 580 -1.610 0.880 -8.748 1.00 2.58 H new ATOM 0 HD3 LYS A 580 -1.723 -0.829 -9.121 1.00 2.58 H new ATOM 0 HE2 LYS A 580 -3.831 1.151 -10.064 1.00 3.64 H new ATOM 0 HE3 LYS A 580 -2.366 0.865 -10.983 1.00 3.64 H new ATOM 0 HZ1 LYS A 580 -4.173 -0.498 -11.768 1.00 4.77 H new ATOM 0 HZ2 LYS A 580 -2.944 -1.477 -11.124 1.00 4.77 H new ATOM 0 HZ3 LYS A 580 -4.363 -1.200 -10.233 1.00 4.77 H new ATOM 755 N MET A 581 -0.492 -0.623 -4.283 1.00 1.13 N ATOM 756 CA MET A 581 -0.242 -0.423 -2.847 1.00 1.29 C ATOM 757 C MET A 581 -1.045 0.789 -2.332 1.00 1.15 C ATOM 758 O MET A 581 -1.077 1.829 -2.994 1.00 1.02 O ATOM 759 CB MET A 581 1.279 -0.322 -2.636 1.00 1.42 C ATOM 760 CG MET A 581 1.722 -0.599 -1.198 1.00 1.71 C ATOM 761 SD MET A 581 1.340 0.717 -0.020 1.00 2.33 S ATOM 762 CE MET A 581 1.941 -0.026 1.511 1.00 1.75 C ATOM 0 H MET A 581 -0.018 0.057 -4.877 1.00 1.13 H new ATOM 0 HA MET A 581 -0.593 -1.266 -2.252 1.00 1.29 H new ATOM 0 HB2 MET A 581 1.777 -1.027 -3.302 1.00 1.42 H new ATOM 0 HB3 MET A 581 1.611 0.676 -2.923 1.00 1.42 H new ATOM 0 HG2 MET A 581 1.249 -1.520 -0.858 1.00 1.71 H new ATOM 0 HG3 MET A 581 2.798 -0.772 -1.191 1.00 1.71 H new ATOM 0 HE1 MET A 581 1.621 0.579 2.359 1.00 1.75 H new ATOM 0 HE2 MET A 581 1.536 -1.033 1.610 1.00 1.75 H new ATOM 0 HE3 MET A 581 3.030 -0.074 1.489 1.00 1.75 H new ATOM 772 N TYR A 582 -1.702 0.668 -1.170 1.00 1.17 N ATOM 773 CA TYR A 582 -2.567 1.711 -0.595 1.00 0.96 C ATOM 774 C TYR A 582 -2.325 1.834 0.922 1.00 0.95 C ATOM 775 O TYR A 582 -2.120 0.828 1.605 1.00 1.06 O ATOM 776 CB TYR A 582 -4.065 1.448 -0.875 1.00 0.92 C ATOM 777 CG TYR A 582 -4.478 0.713 -2.148 1.00 1.27 C ATOM 778 CD1 TYR A 582 -4.282 -0.679 -2.239 1.00 2.78 C ATOM 779 CD2 TYR A 582 -5.155 1.378 -3.191 1.00 1.85 C ATOM 780 CE1 TYR A 582 -4.727 -1.398 -3.365 1.00 3.41 C ATOM 781 CE2 TYR A 582 -5.613 0.660 -4.317 1.00 2.13 C ATOM 782 CZ TYR A 582 -5.401 -0.734 -4.409 1.00 2.57 C ATOM 783 OH TYR A 582 -5.792 -1.434 -5.512 1.00 3.31 O ATOM 0 H TYR A 582 -1.647 -0.171 -0.593 1.00 1.17 H new ATOM 0 HA TYR A 582 -2.304 2.651 -1.080 1.00 0.96 H new ATOM 0 HB2 TYR A 582 -4.460 0.884 -0.030 1.00 0.92 H new ATOM 0 HB3 TYR A 582 -4.570 2.414 -0.878 1.00 0.92 H new ATOM 0 HD1 TYR A 582 -3.784 -1.201 -1.435 1.00 2.78 H new ATOM 0 HD2 TYR A 582 -5.324 2.443 -3.128 1.00 1.85 H new ATOM 0 HE1 TYR A 582 -4.551 -2.462 -3.429 1.00 3.41 H new ATOM 0 HE2 TYR A 582 -6.128 1.179 -5.112 1.00 2.13 H new ATOM 0 HH TYR A 582 -6.244 -0.831 -6.138 1.00 3.31 H new ATOM 793 N PHE A 583 -2.347 3.048 1.485 1.00 0.89 N ATOM 794 CA PHE A 583 -1.947 3.257 2.889 1.00 0.94 C ATOM 795 C PHE A 583 -2.632 4.450 3.567 1.00 0.86 C ATOM 796 O PHE A 583 -3.106 5.365 2.893 1.00 0.88 O ATOM 797 CB PHE A 583 -0.409 3.286 2.996 1.00 1.14 C ATOM 798 CG PHE A 583 0.338 4.405 2.288 1.00 1.38 C ATOM 799 CD1 PHE A 583 0.601 5.625 2.939 1.00 2.59 C ATOM 800 CD2 PHE A 583 0.878 4.178 1.007 1.00 1.98 C ATOM 801 CE1 PHE A 583 1.441 6.581 2.333 1.00 2.90 C ATOM 802 CE2 PHE A 583 1.737 5.119 0.415 1.00 2.32 C ATOM 803 CZ PHE A 583 2.041 6.313 1.090 1.00 2.23 C ATOM 0 H PHE A 583 -2.634 3.897 0.998 1.00 0.89 H new ATOM 0 HA PHE A 583 -2.311 2.404 3.462 1.00 0.94 H new ATOM 0 HB2 PHE A 583 -0.149 3.329 4.054 1.00 1.14 H new ATOM 0 HB3 PHE A 583 -0.030 2.338 2.613 1.00 1.14 H new ATOM 0 HD1 PHE A 583 0.159 5.829 3.903 1.00 2.59 H new ATOM 0 HD2 PHE A 583 0.629 3.272 0.475 1.00 1.98 H new ATOM 0 HE1 PHE A 583 1.625 7.524 2.826 1.00 2.90 H new ATOM 0 HE2 PHE A 583 2.163 4.925 -0.558 1.00 2.32 H new ATOM 0 HZ PHE A 583 2.732 7.021 0.657 1.00 2.23 H new ATOM 813 N ILE A 584 -2.735 4.412 4.902 1.00 0.81 N ATOM 814 CA ILE A 584 -3.559 5.339 5.703 1.00 0.79 C ATOM 815 C ILE A 584 -2.704 6.497 6.229 1.00 0.84 C ATOM 816 O ILE A 584 -1.823 6.293 7.064 1.00 0.85 O ATOM 817 CB ILE A 584 -4.287 4.605 6.862 1.00 0.77 C ATOM 818 CG1 ILE A 584 -4.842 3.240 6.393 1.00 0.73 C ATOM 819 CG2 ILE A 584 -5.429 5.496 7.407 1.00 0.70 C ATOM 820 CD1 ILE A 584 -5.646 2.476 7.439 1.00 0.71 C ATOM 0 H ILE A 584 -2.240 3.725 5.470 1.00 0.81 H new ATOM 0 HA ILE A 584 -4.330 5.750 5.051 1.00 0.79 H new ATOM 0 HB ILE A 584 -3.569 4.416 7.660 1.00 0.77 H new ATOM 0 HG12 ILE A 584 -5.473 3.403 5.519 1.00 0.73 H new ATOM 0 HG13 ILE A 584 -4.007 2.617 6.072 1.00 0.73 H new ATOM 0 HG21 ILE A 584 -5.938 4.978 8.220 1.00 0.70 H new ATOM 0 HG22 ILE A 584 -5.014 6.433 7.777 1.00 0.70 H new ATOM 0 HG23 ILE A 584 -6.141 5.705 6.608 1.00 0.70 H new ATOM 0 HD11 ILE A 584 -5.992 1.533 7.015 1.00 0.71 H new ATOM 0 HD12 ILE A 584 -5.017 2.275 8.306 1.00 0.71 H new ATOM 0 HD13 ILE A 584 -6.505 3.073 7.745 1.00 0.71 H new ATOM 832 N GLN A 585 -2.980 7.718 5.771 1.00 0.93 N ATOM 833 CA GLN A 585 -2.226 8.920 6.145 1.00 0.99 C ATOM 834 C GLN A 585 -2.876 9.667 7.317 1.00 1.02 C ATOM 835 O GLN A 585 -2.198 9.955 8.305 1.00 1.12 O ATOM 836 CB GLN A 585 -2.025 9.767 4.881 1.00 0.98 C ATOM 837 CG GLN A 585 -1.291 11.098 5.104 1.00 1.41 C ATOM 838 CD GLN A 585 -2.232 12.300 5.060 1.00 1.73 C ATOM 839 OE1 GLN A 585 -2.836 12.608 4.042 1.00 2.73 O ATOM 840 NE2 GLN A 585 -2.397 13.017 6.146 1.00 1.94 N ATOM 0 H GLN A 585 -3.743 7.905 5.121 1.00 0.93 H new ATOM 0 HA GLN A 585 -1.242 8.652 6.529 1.00 0.99 H new ATOM 0 HB2 GLN A 585 -1.467 9.179 4.152 1.00 0.98 H new ATOM 0 HB3 GLN A 585 -3.001 9.976 4.442 1.00 0.98 H new ATOM 0 HG2 GLN A 585 -0.784 11.073 6.069 1.00 1.41 H new ATOM 0 HG3 GLN A 585 -0.520 11.216 4.342 1.00 1.41 H new ATOM 0 HE21 GLN A 585 -1.899 12.770 7.001 1.00 1.94 H new ATOM 0 HE22 GLN A 585 -3.024 13.822 6.136 1.00 1.94 H new ATOM 849 N HIS A 586 -4.191 9.907 7.266 1.00 1.00 N ATOM 850 CA HIS A 586 -4.961 10.278 8.458 1.00 0.97 C ATOM 851 C HIS A 586 -6.400 9.750 8.355 1.00 0.88 C ATOM 852 O HIS A 586 -7.205 10.262 7.572 1.00 1.00 O ATOM 853 CB HIS A 586 -4.896 11.803 8.671 1.00 1.05 C ATOM 854 CG HIS A 586 -5.133 12.171 10.110 1.00 1.30 C ATOM 855 ND1 HIS A 586 -4.158 12.475 11.035 1.00 2.28 N ATOM 856 CD2 HIS A 586 -6.330 12.156 10.772 1.00 2.20 C ATOM 857 CE1 HIS A 586 -4.742 12.607 12.235 1.00 2.38 C ATOM 858 NE2 HIS A 586 -6.070 12.425 12.122 1.00 2.32 N ATOM 0 H HIS A 586 -4.744 9.851 6.411 1.00 1.00 H new ATOM 0 HA HIS A 586 -4.522 9.811 9.339 1.00 0.97 H new ATOM 0 HB2 HIS A 586 -3.921 12.174 8.356 1.00 1.05 H new ATOM 0 HB3 HIS A 586 -5.641 12.291 8.042 1.00 1.05 H new ATOM 0 HD2 HIS A 586 -7.299 11.970 10.334 1.00 2.20 H new ATOM 0 HE1 HIS A 586 -4.223 12.827 13.156 1.00 2.38 H new ATOM 0 HE2 HIS A 586 -6.756 12.474 12.875 1.00 2.32 H new ATOM 866 N GLY A 587 -6.743 8.699 9.099 1.00 0.78 N ATOM 867 CA GLY A 587 -8.044 8.046 9.003 1.00 0.89 C ATOM 868 C GLY A 587 -8.107 6.762 9.823 1.00 0.77 C ATOM 869 O GLY A 587 -7.094 6.284 10.335 1.00 0.82 O ATOM 0 H GLY A 587 -6.121 8.276 9.788 1.00 0.78 H new ATOM 0 HA2 GLY A 587 -8.819 8.732 9.345 1.00 0.89 H new ATOM 0 HA3 GLY A 587 -8.258 7.819 7.959 1.00 0.89 H new ATOM 873 N VAL A 588 -9.304 6.184 9.884 1.00 0.70 N ATOM 874 CA VAL A 588 -9.581 4.883 10.500 1.00 0.67 C ATOM 875 C VAL A 588 -10.417 4.048 9.520 1.00 0.62 C ATOM 876 O VAL A 588 -11.259 4.590 8.797 1.00 0.64 O ATOM 877 CB VAL A 588 -10.283 5.040 11.873 1.00 0.76 C ATOM 878 CG1 VAL A 588 -10.508 3.707 12.599 1.00 0.77 C ATOM 879 CG2 VAL A 588 -9.475 5.936 12.825 1.00 0.89 C ATOM 0 H VAL A 588 -10.139 6.621 9.493 1.00 0.70 H new ATOM 0 HA VAL A 588 -8.642 4.367 10.701 1.00 0.67 H new ATOM 0 HB VAL A 588 -11.247 5.488 11.633 1.00 0.76 H new ATOM 0 HG11 VAL A 588 -11.003 3.891 13.552 1.00 0.77 H new ATOM 0 HG12 VAL A 588 -11.133 3.059 11.985 1.00 0.77 H new ATOM 0 HG13 VAL A 588 -9.548 3.223 12.776 1.00 0.77 H new ATOM 0 HG21 VAL A 588 -9.999 6.022 13.777 1.00 0.89 H new ATOM 0 HG22 VAL A 588 -8.491 5.497 12.991 1.00 0.89 H new ATOM 0 HG23 VAL A 588 -9.360 6.926 12.383 1.00 0.89 H new ATOM 889 N VAL A 589 -10.191 2.735 9.484 1.00 0.59 N ATOM 890 CA VAL A 589 -10.928 1.763 8.659 1.00 0.59 C ATOM 891 C VAL A 589 -11.411 0.584 9.502 1.00 0.62 C ATOM 892 O VAL A 589 -10.710 0.147 10.416 1.00 0.68 O ATOM 893 CB VAL A 589 -10.090 1.244 7.465 1.00 0.60 C ATOM 894 CG1 VAL A 589 -9.731 2.354 6.467 1.00 0.65 C ATOM 895 CG2 VAL A 589 -8.807 0.530 7.903 1.00 0.63 C ATOM 0 H VAL A 589 -9.463 2.297 10.048 1.00 0.59 H new ATOM 0 HA VAL A 589 -11.790 2.294 8.254 1.00 0.59 H new ATOM 0 HB VAL A 589 -10.737 0.521 6.968 1.00 0.60 H new ATOM 0 HG11 VAL A 589 -9.144 1.933 5.651 1.00 0.65 H new ATOM 0 HG12 VAL A 589 -10.645 2.794 6.067 1.00 0.65 H new ATOM 0 HG13 VAL A 589 -9.149 3.124 6.973 1.00 0.65 H new ATOM 0 HG21 VAL A 589 -8.262 0.189 7.023 1.00 0.63 H new ATOM 0 HG22 VAL A 589 -8.183 1.219 8.472 1.00 0.63 H new ATOM 0 HG23 VAL A 589 -9.062 -0.327 8.527 1.00 0.63 H new ATOM 905 N SER A 590 -12.563 0.020 9.140 1.00 0.64 N ATOM 906 CA SER A 590 -12.911 -1.367 9.503 1.00 0.91 C ATOM 907 C SER A 590 -12.550 -2.337 8.367 1.00 1.14 C ATOM 908 O SER A 590 -13.183 -2.349 7.308 1.00 1.01 O ATOM 909 CB SER A 590 -14.390 -1.519 9.860 1.00 1.13 C ATOM 910 OG SER A 590 -14.683 -0.968 11.129 1.00 1.26 O ATOM 0 H SER A 590 -13.278 0.499 8.593 1.00 0.64 H new ATOM 0 HA SER A 590 -12.326 -1.614 10.389 1.00 0.91 H new ATOM 0 HB2 SER A 590 -14.999 -1.028 9.101 1.00 1.13 H new ATOM 0 HB3 SER A 590 -14.659 -2.575 9.851 1.00 1.13 H new ATOM 0 HG SER A 590 -14.829 -0.003 11.041 1.00 1.26 H new ATOM 916 N VAL A 591 -11.545 -3.180 8.604 1.00 1.50 N ATOM 917 CA VAL A 591 -11.159 -4.325 7.759 1.00 1.27 C ATOM 918 C VAL A 591 -12.108 -5.490 8.024 1.00 1.00 C ATOM 919 O VAL A 591 -12.533 -5.677 9.162 1.00 0.97 O ATOM 920 CB VAL A 591 -9.719 -4.798 8.068 1.00 1.50 C ATOM 921 CG1 VAL A 591 -9.174 -5.740 6.987 1.00 3.16 C ATOM 922 CG2 VAL A 591 -8.713 -3.656 8.223 1.00 1.47 C ATOM 0 H VAL A 591 -10.947 -3.085 9.425 1.00 1.50 H new ATOM 0 HA VAL A 591 -11.211 -4.003 6.719 1.00 1.27 H new ATOM 0 HB VAL A 591 -9.816 -5.318 9.021 1.00 1.50 H new ATOM 0 HG11 VAL A 591 -8.161 -6.045 7.248 1.00 3.16 H new ATOM 0 HG12 VAL A 591 -9.812 -6.621 6.917 1.00 3.16 H new ATOM 0 HG13 VAL A 591 -9.162 -5.224 6.027 1.00 3.16 H new ATOM 0 HG21 VAL A 591 -7.727 -4.067 8.438 1.00 1.47 H new ATOM 0 HG22 VAL A 591 -8.672 -3.079 7.299 1.00 1.47 H new ATOM 0 HG23 VAL A 591 -9.023 -3.007 9.042 1.00 1.47 H new ATOM 932 N LEU A 592 -12.392 -6.304 7.008 1.00 0.97 N ATOM 933 CA LEU A 592 -12.983 -7.642 7.148 1.00 1.13 C ATOM 934 C LEU A 592 -11.944 -8.699 6.752 1.00 1.25 C ATOM 935 O LEU A 592 -11.214 -8.491 5.780 1.00 1.22 O ATOM 936 CB LEU A 592 -14.223 -7.798 6.237 1.00 1.44 C ATOM 937 CG LEU A 592 -15.464 -6.920 6.485 1.00 1.76 C ATOM 938 CD1 LEU A 592 -15.927 -7.004 7.935 1.00 1.92 C ATOM 939 CD2 LEU A 592 -15.279 -5.448 6.112 1.00 2.10 C ATOM 0 H LEU A 592 -12.214 -6.048 6.037 1.00 0.97 H new ATOM 0 HA LEU A 592 -13.289 -7.775 8.186 1.00 1.13 H new ATOM 0 HB2 LEU A 592 -13.899 -7.622 5.211 1.00 1.44 H new ATOM 0 HB3 LEU A 592 -14.542 -8.838 6.296 1.00 1.44 H new ATOM 0 HG LEU A 592 -16.223 -7.331 5.819 1.00 1.76 H new ATOM 0 HD11 LEU A 592 -16.804 -6.372 8.074 1.00 1.92 H new ATOM 0 HD12 LEU A 592 -16.181 -8.036 8.177 1.00 1.92 H new ATOM 0 HD13 LEU A 592 -15.127 -6.664 8.593 1.00 1.92 H new ATOM 0 HD21 LEU A 592 -16.200 -4.902 6.318 1.00 2.10 H new ATOM 0 HD22 LEU A 592 -14.466 -5.023 6.700 1.00 2.10 H new ATOM 0 HD23 LEU A 592 -15.040 -5.369 5.052 1.00 2.10 H new ATOM 951 N THR A 593 -11.904 -9.856 7.422 1.00 1.66 N ATOM 952 CA THR A 593 -11.135 -11.020 6.935 1.00 1.95 C ATOM 953 C THR A 593 -12.006 -12.219 6.556 1.00 2.16 C ATOM 954 O THR A 593 -13.039 -12.489 7.177 1.00 2.28 O ATOM 955 CB THR A 593 -9.974 -11.429 7.860 1.00 2.16 C ATOM 956 OG1 THR A 593 -10.213 -11.192 9.226 1.00 2.09 O ATOM 957 CG2 THR A 593 -8.700 -10.677 7.481 1.00 2.20 C ATOM 0 H THR A 593 -12.393 -10.017 8.303 1.00 1.66 H new ATOM 0 HA THR A 593 -10.680 -10.665 6.010 1.00 1.95 H new ATOM 0 HB THR A 593 -9.870 -12.505 7.718 1.00 2.16 H new ATOM 0 HG1 THR A 593 -9.435 -11.478 9.749 1.00 2.09 H new ATOM 0 HG21 THR A 593 -7.889 -10.978 8.144 1.00 2.20 H new ATOM 0 HG22 THR A 593 -8.432 -10.912 6.451 1.00 2.20 H new ATOM 0 HG23 THR A 593 -8.868 -9.604 7.577 1.00 2.20 H new ATOM 965 N LYS A 594 -11.561 -12.941 5.517 1.00 2.30 N ATOM 966 CA LYS A 594 -12.165 -14.169 4.976 1.00 2.52 C ATOM 967 C LYS A 594 -12.362 -15.234 6.056 1.00 2.85 C ATOM 968 O LYS A 594 -11.416 -15.597 6.752 1.00 3.26 O ATOM 969 CB LYS A 594 -11.361 -14.674 3.758 1.00 2.67 C ATOM 970 CG LYS A 594 -10.049 -15.437 4.030 1.00 3.07 C ATOM 971 CD LYS A 594 -8.957 -14.661 4.790 1.00 3.33 C ATOM 972 CE LYS A 594 -7.662 -15.460 5.018 1.00 4.02 C ATOM 973 NZ LYS A 594 -6.951 -15.791 3.759 1.00 4.14 N ATOM 0 H LYS A 594 -10.723 -12.669 5.003 1.00 2.30 H new ATOM 0 HA LYS A 594 -13.168 -13.933 4.620 1.00 2.52 H new ATOM 0 HB2 LYS A 594 -12.012 -15.324 3.173 1.00 2.67 H new ATOM 0 HB3 LYS A 594 -11.125 -13.813 3.132 1.00 2.67 H new ATOM 0 HG2 LYS A 594 -10.287 -16.337 4.597 1.00 3.07 H new ATOM 0 HG3 LYS A 594 -9.637 -15.762 3.075 1.00 3.07 H new ATOM 0 HD2 LYS A 594 -8.718 -13.754 4.235 1.00 3.33 H new ATOM 0 HD3 LYS A 594 -9.354 -14.349 5.756 1.00 3.33 H new ATOM 0 HE2 LYS A 594 -6.997 -14.886 5.663 1.00 4.02 H new ATOM 0 HE3 LYS A 594 -7.900 -16.383 5.547 1.00 4.02 H new ATOM 0 HZ1 LYS A 594 -6.080 -16.314 3.980 1.00 4.14 H new ATOM 0 HZ2 LYS A 594 -7.564 -16.378 3.158 1.00 4.14 H new ATOM 0 HZ3 LYS A 594 -6.710 -14.914 3.255 1.00 4.14 H new ATOM 987 N GLY A 595 -13.592 -15.716 6.214 1.00 3.44 N ATOM 988 CA GLY A 595 -13.986 -16.637 7.288 1.00 3.83 C ATOM 989 C GLY A 595 -14.367 -15.984 8.609 1.00 3.67 C ATOM 990 O GLY A 595 -14.875 -16.679 9.495 1.00 3.97 O ATOM 0 H GLY A 595 -14.361 -15.475 5.589 1.00 3.44 H new ATOM 0 HA2 GLY A 595 -14.831 -17.231 6.940 1.00 3.83 H new ATOM 0 HA3 GLY A 595 -13.163 -17.328 7.469 1.00 3.83 H new ATOM 994 N ASN A 596 -14.059 -14.700 8.787 1.00 3.23 N ATOM 995 CA ASN A 596 -13.730 -14.171 10.102 1.00 3.09 C ATOM 996 C ASN A 596 -14.473 -12.856 10.437 1.00 2.76 C ATOM 997 O ASN A 596 -15.574 -12.586 9.941 1.00 2.94 O ATOM 998 CB ASN A 596 -12.200 -14.003 10.204 1.00 2.97 C ATOM 999 CG ASN A 596 -11.270 -15.144 9.811 1.00 3.36 C ATOM 1000 OD1 ASN A 596 -11.649 -16.302 9.707 1.00 3.79 O ATOM 1001 ND2 ASN A 596 -9.995 -14.854 9.671 1.00 3.34 N ATOM 0 H ASN A 596 -14.032 -14.011 8.036 1.00 3.23 H new ATOM 0 HA ASN A 596 -14.073 -14.887 10.849 1.00 3.09 H new ATOM 0 HB2 ASN A 596 -11.929 -13.142 9.593 1.00 2.97 H new ATOM 0 HB3 ASN A 596 -11.973 -13.744 11.238 1.00 2.97 H new ATOM 0 HD21 ASN A 596 -9.322 -15.595 9.476 1.00 3.34 H new ATOM 0 HD22 ASN A 596 -9.679 -13.888 9.758 1.00 3.34 H new ATOM 1008 N LYS A 597 -13.891 -12.064 11.347 1.00 2.44 N ATOM 1009 CA LYS A 597 -14.472 -10.877 11.968 1.00 2.20 C ATOM 1010 C LYS A 597 -13.960 -9.574 11.348 1.00 1.61 C ATOM 1011 O LYS A 597 -13.163 -9.581 10.408 1.00 1.57 O ATOM 1012 CB LYS A 597 -14.242 -10.922 13.497 1.00 2.38 C ATOM 1013 CG LYS A 597 -14.616 -12.237 14.209 1.00 2.95 C ATOM 1014 CD LYS A 597 -13.494 -13.293 14.296 1.00 2.84 C ATOM 1015 CE LYS A 597 -13.792 -14.542 13.474 1.00 3.80 C ATOM 1016 NZ LYS A 597 -13.028 -15.719 13.943 1.00 4.33 N ATOM 0 H LYS A 597 -12.947 -12.250 11.686 1.00 2.44 H new ATOM 0 HA LYS A 597 -15.545 -10.888 11.775 1.00 2.20 H new ATOM 0 HB2 LYS A 597 -13.189 -10.717 13.690 1.00 2.38 H new ATOM 0 HB3 LYS A 597 -14.813 -10.113 13.952 1.00 2.38 H new ATOM 0 HG2 LYS A 597 -14.946 -12.000 15.220 1.00 2.95 H new ATOM 0 HG3 LYS A 597 -15.467 -12.680 13.692 1.00 2.95 H new ATOM 0 HD2 LYS A 597 -12.559 -12.852 13.952 1.00 2.84 H new ATOM 0 HD3 LYS A 597 -13.348 -13.576 15.338 1.00 2.84 H new ATOM 0 HE2 LYS A 597 -14.859 -14.761 13.524 1.00 3.80 H new ATOM 0 HE3 LYS A 597 -13.554 -14.351 12.428 1.00 3.80 H new ATOM 0 HZ1 LYS A 597 -13.264 -16.543 13.354 1.00 4.33 H new ATOM 0 HZ2 LYS A 597 -12.009 -15.523 13.872 1.00 4.33 H new ATOM 0 HZ3 LYS A 597 -13.273 -15.920 14.934 1.00 4.33 H new ATOM 1030 N GLU A 598 -14.443 -8.453 11.880 1.00 1.50 N ATOM 1031 CA GLU A 598 -13.935 -7.117 11.560 1.00 1.32 C ATOM 1032 C GLU A 598 -12.821 -6.626 12.507 1.00 1.13 C ATOM 1033 O GLU A 598 -12.737 -7.039 13.671 1.00 1.17 O ATOM 1034 CB GLU A 598 -15.068 -6.086 11.439 1.00 1.91 C ATOM 1035 CG GLU A 598 -15.834 -5.801 12.733 1.00 2.27 C ATOM 1036 CD GLU A 598 -16.891 -6.877 12.993 1.00 2.28 C ATOM 1037 OE1 GLU A 598 -18.017 -6.752 12.450 1.00 2.68 O ATOM 1038 OE2 GLU A 598 -16.595 -7.864 13.707 1.00 3.33 O ATOM 0 H GLU A 598 -15.208 -8.445 12.554 1.00 1.50 H new ATOM 0 HA GLU A 598 -13.465 -7.217 10.582 1.00 1.32 H new ATOM 0 HB2 GLU A 598 -14.647 -5.150 11.071 1.00 1.91 H new ATOM 0 HB3 GLU A 598 -15.775 -6.435 10.687 1.00 1.91 H new ATOM 0 HG2 GLU A 598 -15.138 -5.760 13.571 1.00 2.27 H new ATOM 0 HG3 GLU A 598 -16.313 -4.824 12.669 1.00 2.27 H new ATOM 1045 N MET A 599 -11.980 -5.715 12.007 1.00 1.05 N ATOM 1046 CA MET A 599 -10.805 -5.164 12.701 1.00 1.03 C ATOM 1047 C MET A 599 -10.608 -3.675 12.415 1.00 1.24 C ATOM 1048 O MET A 599 -10.582 -3.264 11.257 1.00 1.92 O ATOM 1049 CB MET A 599 -9.535 -5.915 12.271 1.00 1.07 C ATOM 1050 CG MET A 599 -9.548 -7.384 12.697 1.00 1.26 C ATOM 1051 SD MET A 599 -8.186 -8.383 12.038 1.00 1.65 S ATOM 1052 CE MET A 599 -8.588 -8.379 10.264 1.00 1.65 C ATOM 0 H MET A 599 -12.101 -5.324 11.073 1.00 1.05 H new ATOM 0 HA MET A 599 -10.983 -5.290 13.769 1.00 1.03 H new ATOM 0 HB2 MET A 599 -9.431 -5.856 11.188 1.00 1.07 H new ATOM 0 HB3 MET A 599 -8.663 -5.423 12.702 1.00 1.07 H new ATOM 0 HG2 MET A 599 -9.520 -7.432 13.786 1.00 1.26 H new ATOM 0 HG3 MET A 599 -10.492 -7.830 12.382 1.00 1.26 H new ATOM 0 HE1 MET A 599 -8.000 -9.144 9.756 1.00 1.65 H new ATOM 0 HE2 MET A 599 -9.649 -8.589 10.131 1.00 1.65 H new ATOM 0 HE3 MET A 599 -8.356 -7.402 9.840 1.00 1.65 H new ATOM 1062 N LYS A 600 -10.407 -2.872 13.465 1.00 0.93 N ATOM 1063 CA LYS A 600 -10.070 -1.444 13.342 1.00 0.95 C ATOM 1064 C LYS A 600 -8.577 -1.211 13.089 1.00 1.06 C ATOM 1065 O LYS A 600 -7.742 -1.550 13.935 1.00 1.43 O ATOM 1066 CB LYS A 600 -10.574 -0.628 14.554 1.00 0.99 C ATOM 1067 CG LYS A 600 -11.843 0.175 14.232 1.00 0.96 C ATOM 1068 CD LYS A 600 -13.061 -0.690 13.880 1.00 0.99 C ATOM 1069 CE LYS A 600 -13.595 -1.543 15.040 1.00 1.21 C ATOM 1070 NZ LYS A 600 -14.070 -0.716 16.175 1.00 2.06 N ATOM 0 H LYS A 600 -10.473 -3.193 14.431 1.00 0.93 H new ATOM 0 HA LYS A 600 -10.597 -1.080 12.460 1.00 0.95 H new ATOM 0 HB2 LYS A 600 -10.776 -1.304 15.385 1.00 0.99 H new ATOM 0 HB3 LYS A 600 -9.789 0.054 14.881 1.00 0.99 H new ATOM 0 HG2 LYS A 600 -12.091 0.801 15.089 1.00 0.96 H new ATOM 0 HG3 LYS A 600 -11.634 0.845 13.398 1.00 0.96 H new ATOM 0 HD2 LYS A 600 -13.861 -0.041 13.525 1.00 0.99 H new ATOM 0 HD3 LYS A 600 -12.796 -1.349 13.054 1.00 0.99 H new ATOM 0 HE2 LYS A 600 -14.413 -2.168 14.682 1.00 1.21 H new ATOM 0 HE3 LYS A 600 -12.809 -2.214 15.386 1.00 1.21 H new ATOM 0 HZ1 LYS A 600 -14.528 -1.326 16.881 1.00 2.06 H new ATOM 0 HZ2 LYS A 600 -13.262 -0.228 16.611 1.00 2.06 H new ATOM 0 HZ3 LYS A 600 -14.754 -0.012 15.830 1.00 2.06 H new ATOM 1084 N LEU A 601 -8.268 -0.577 11.957 1.00 0.84 N ATOM 1085 CA LEU A 601 -6.935 -0.076 11.576 1.00 0.87 C ATOM 1086 C LEU A 601 -6.946 1.459 11.465 1.00 0.78 C ATOM 1087 O LEU A 601 -7.965 2.063 11.145 1.00 0.70 O ATOM 1088 CB LEU A 601 -6.458 -0.724 10.257 1.00 0.92 C ATOM 1089 CG LEU A 601 -5.511 -1.926 10.415 1.00 1.01 C ATOM 1090 CD1 LEU A 601 -6.193 -3.104 11.107 1.00 1.06 C ATOM 1091 CD2 LEU A 601 -5.040 -2.381 9.033 1.00 1.12 C ATOM 0 H LEU A 601 -8.970 -0.387 11.242 1.00 0.84 H new ATOM 0 HA LEU A 601 -6.229 -0.355 12.358 1.00 0.87 H new ATOM 0 HB2 LEU A 601 -7.334 -1.045 9.693 1.00 0.92 H new ATOM 0 HB3 LEU A 601 -5.955 0.037 9.660 1.00 0.92 H new ATOM 0 HG LEU A 601 -4.671 -1.606 11.031 1.00 1.01 H new ATOM 0 HD11 LEU A 601 -5.488 -3.930 11.198 1.00 1.06 H new ATOM 0 HD12 LEU A 601 -6.525 -2.800 12.100 1.00 1.06 H new ATOM 0 HD13 LEU A 601 -7.053 -3.424 10.518 1.00 1.06 H new ATOM 0 HD21 LEU A 601 -4.368 -3.233 9.140 1.00 1.12 H new ATOM 0 HD22 LEU A 601 -5.902 -2.671 8.432 1.00 1.12 H new ATOM 0 HD23 LEU A 601 -4.514 -1.563 8.541 1.00 1.12 H new ATOM 1103 N SER A 602 -5.795 2.081 11.712 1.00 0.85 N ATOM 1104 CA SER A 602 -5.635 3.524 11.974 1.00 0.88 C ATOM 1105 C SER A 602 -4.435 4.132 11.225 1.00 0.94 C ATOM 1106 O SER A 602 -3.734 3.421 10.500 1.00 0.99 O ATOM 1107 CB SER A 602 -5.515 3.704 13.496 1.00 0.97 C ATOM 1108 OG SER A 602 -4.581 2.794 14.059 1.00 1.51 O ATOM 0 H SER A 602 -4.907 1.579 11.738 1.00 0.85 H new ATOM 0 HA SER A 602 -6.503 4.064 11.596 1.00 0.88 H new ATOM 0 HB2 SER A 602 -5.208 4.726 13.719 1.00 0.97 H new ATOM 0 HB3 SER A 602 -6.491 3.557 13.958 1.00 0.97 H new ATOM 0 HG SER A 602 -4.528 2.937 15.027 1.00 1.51 H new ATOM 1114 N ASP A 603 -4.171 5.435 11.382 1.00 1.00 N ATOM 1115 CA ASP A 603 -3.061 6.149 10.715 1.00 1.10 C ATOM 1116 C ASP A 603 -1.727 5.380 10.758 1.00 1.04 C ATOM 1117 O ASP A 603 -1.389 4.772 11.777 1.00 1.04 O ATOM 1118 CB ASP A 603 -2.880 7.569 11.291 1.00 1.31 C ATOM 1119 CG ASP A 603 -2.299 7.622 12.716 1.00 1.38 C ATOM 1120 OD1 ASP A 603 -1.052 7.627 12.880 1.00 1.74 O ATOM 1121 OD2 ASP A 603 -3.085 7.683 13.693 1.00 2.04 O ATOM 0 H ASP A 603 -4.729 6.039 11.986 1.00 1.00 H new ATOM 0 HA ASP A 603 -3.347 6.225 9.666 1.00 1.10 H new ATOM 0 HB2 ASP A 603 -2.226 8.134 10.627 1.00 1.31 H new ATOM 0 HB3 ASP A 603 -3.847 8.072 11.290 1.00 1.31 H new ATOM 1126 N GLY A 604 -0.987 5.368 9.645 1.00 1.07 N ATOM 1127 CA GLY A 604 0.270 4.628 9.490 1.00 1.12 C ATOM 1128 C GLY A 604 0.140 3.154 9.076 1.00 1.08 C ATOM 1129 O GLY A 604 1.150 2.524 8.753 1.00 1.20 O ATOM 0 H GLY A 604 -1.252 5.885 8.806 1.00 1.07 H new ATOM 0 HA2 GLY A 604 0.880 5.141 8.747 1.00 1.12 H new ATOM 0 HA3 GLY A 604 0.813 4.673 10.434 1.00 1.12 H new ATOM 1133 N SER A 605 -1.080 2.612 9.053 1.00 1.00 N ATOM 1134 CA SER A 605 -1.384 1.264 8.550 1.00 0.97 C ATOM 1135 C SER A 605 -1.421 1.221 7.015 1.00 0.97 C ATOM 1136 O SER A 605 -1.495 2.259 6.354 1.00 0.97 O ATOM 1137 CB SER A 605 -2.737 0.786 9.082 1.00 0.90 C ATOM 1138 OG SER A 605 -2.869 0.953 10.479 1.00 1.05 O ATOM 0 H SER A 605 -1.905 3.107 9.391 1.00 1.00 H new ATOM 0 HA SER A 605 -0.587 0.609 8.902 1.00 0.97 H new ATOM 0 HB2 SER A 605 -3.534 1.334 8.579 1.00 0.90 H new ATOM 0 HB3 SER A 605 -2.868 -0.267 8.833 1.00 0.90 H new ATOM 0 HG SER A 605 -3.179 1.863 10.672 1.00 1.05 H new ATOM 1144 N TYR A 606 -1.439 0.021 6.431 1.00 0.98 N ATOM 1145 CA TYR A 606 -1.545 -0.175 4.979 1.00 1.02 C ATOM 1146 C TYR A 606 -2.308 -1.450 4.590 1.00 1.02 C ATOM 1147 O TYR A 606 -2.469 -2.367 5.399 1.00 1.14 O ATOM 1148 CB TYR A 606 -0.141 -0.181 4.354 1.00 1.17 C ATOM 1149 CG TYR A 606 0.661 -1.419 4.698 1.00 1.13 C ATOM 1150 CD1 TYR A 606 1.349 -1.487 5.925 1.00 2.43 C ATOM 1151 CD2 TYR A 606 0.623 -2.538 3.844 1.00 1.97 C ATOM 1152 CE1 TYR A 606 1.952 -2.696 6.321 1.00 2.96 C ATOM 1153 CE2 TYR A 606 1.228 -3.746 4.234 1.00 2.50 C ATOM 1154 CZ TYR A 606 1.871 -3.833 5.487 1.00 2.56 C ATOM 1155 OH TYR A 606 2.361 -5.022 5.929 1.00 3.45 O ATOM 0 H TYR A 606 -1.380 -0.852 6.955 1.00 0.98 H new ATOM 0 HA TYR A 606 -2.127 0.659 4.588 1.00 1.02 H new ATOM 0 HB2 TYR A 606 -0.233 -0.105 3.271 1.00 1.17 H new ATOM 0 HB3 TYR A 606 0.403 0.701 4.691 1.00 1.17 H new ATOM 0 HD1 TYR A 606 1.414 -0.615 6.559 1.00 2.43 H new ATOM 0 HD2 TYR A 606 0.128 -2.468 2.887 1.00 1.97 H new ATOM 0 HE1 TYR A 606 2.477 -2.754 7.263 1.00 2.96 H new ATOM 0 HE2 TYR A 606 1.201 -4.603 3.578 1.00 2.50 H new ATOM 0 HH TYR A 606 2.229 -5.707 5.240 1.00 3.45 H new ATOM 1165 N PHE A 607 -2.753 -1.507 3.335 1.00 0.92 N ATOM 1166 CA PHE A 607 -3.436 -2.654 2.714 1.00 0.97 C ATOM 1167 C PHE A 607 -3.189 -2.710 1.185 1.00 1.30 C ATOM 1168 O PHE A 607 -2.458 -1.893 0.625 1.00 1.65 O ATOM 1169 CB PHE A 607 -4.933 -2.618 3.101 1.00 1.16 C ATOM 1170 CG PHE A 607 -5.554 -1.235 3.203 1.00 0.82 C ATOM 1171 CD1 PHE A 607 -5.652 -0.421 2.062 1.00 1.99 C ATOM 1172 CD2 PHE A 607 -6.008 -0.752 4.446 1.00 1.82 C ATOM 1173 CE1 PHE A 607 -6.166 0.884 2.166 1.00 2.28 C ATOM 1174 CE2 PHE A 607 -6.537 0.546 4.541 1.00 1.78 C ATOM 1175 CZ PHE A 607 -6.586 1.375 3.412 1.00 1.33 C ATOM 0 H PHE A 607 -2.645 -0.724 2.691 1.00 0.92 H new ATOM 0 HA PHE A 607 -3.017 -3.585 3.096 1.00 0.97 H new ATOM 0 HB2 PHE A 607 -5.494 -3.194 2.365 1.00 1.16 H new ATOM 0 HB3 PHE A 607 -5.054 -3.122 4.060 1.00 1.16 H new ATOM 0 HD1 PHE A 607 -5.332 -0.799 1.102 1.00 1.99 H new ATOM 0 HD2 PHE A 607 -5.950 -1.378 5.324 1.00 1.82 H new ATOM 0 HE1 PHE A 607 -6.237 1.508 1.287 1.00 2.28 H new ATOM 0 HE2 PHE A 607 -6.908 0.907 5.489 1.00 1.78 H new ATOM 0 HZ PHE A 607 -6.946 2.389 3.501 1.00 1.33 H new ATOM 1185 N GLY A 608 -3.769 -3.702 0.502 1.00 1.50 N ATOM 1186 CA GLY A 608 -3.617 -3.933 -0.945 1.00 1.98 C ATOM 1187 C GLY A 608 -3.142 -5.328 -1.357 1.00 2.04 C ATOM 1188 O GLY A 608 -2.466 -5.456 -2.374 1.00 3.24 O ATOM 0 H GLY A 608 -4.376 -4.389 0.950 1.00 1.50 H new ATOM 0 HA2 GLY A 608 -4.576 -3.741 -1.426 1.00 1.98 H new ATOM 0 HA3 GLY A 608 -2.912 -3.200 -1.337 1.00 1.98 H new ATOM 1192 N GLU A 609 -3.471 -6.377 -0.594 1.00 1.86 N ATOM 1193 CA GLU A 609 -3.174 -7.784 -0.929 1.00 2.31 C ATOM 1194 C GLU A 609 -1.651 -8.032 -1.120 1.00 1.84 C ATOM 1195 O GLU A 609 -0.844 -7.321 -0.502 1.00 2.55 O ATOM 1196 CB GLU A 609 -4.073 -8.213 -2.116 1.00 3.46 C ATOM 1197 CG GLU A 609 -5.582 -8.287 -1.812 1.00 4.76 C ATOM 1198 CD GLU A 609 -6.221 -6.993 -1.285 1.00 6.10 C ATOM 1199 OE1 GLU A 609 -6.626 -6.134 -2.101 1.00 7.21 O ATOM 1200 OE2 GLU A 609 -6.314 -6.839 -0.038 1.00 6.79 O ATOM 0 H GLU A 609 -3.962 -6.274 0.294 1.00 1.86 H new ATOM 0 HA GLU A 609 -3.424 -8.437 -0.093 1.00 2.31 H new ATOM 0 HB2 GLU A 609 -3.919 -7.513 -2.937 1.00 3.46 H new ATOM 0 HB3 GLU A 609 -3.742 -9.191 -2.465 1.00 3.46 H new ATOM 0 HG2 GLU A 609 -6.103 -8.583 -2.723 1.00 4.76 H new ATOM 0 HG3 GLU A 609 -5.748 -9.077 -1.079 1.00 4.76 H new ATOM 1207 N ILE A 610 -1.229 -9.035 -1.910 1.00 2.24 N ATOM 1208 CA ILE A 610 0.188 -9.275 -2.236 1.00 2.36 C ATOM 1209 C ILE A 610 0.477 -8.950 -3.713 1.00 2.25 C ATOM 1210 O ILE A 610 -0.198 -9.419 -4.632 1.00 3.57 O ATOM 1211 CB ILE A 610 0.698 -10.685 -1.844 1.00 3.42 C ATOM 1212 CG1 ILE A 610 0.212 -11.216 -0.474 1.00 4.59 C ATOM 1213 CG2 ILE A 610 2.238 -10.622 -1.763 1.00 3.70 C ATOM 1214 CD1 ILE A 610 -1.131 -11.952 -0.516 1.00 5.54 C ATOM 0 H ILE A 610 -1.865 -9.705 -2.342 1.00 2.24 H new ATOM 0 HA ILE A 610 0.759 -8.587 -1.613 1.00 2.36 H new ATOM 0 HB ILE A 610 0.304 -11.360 -2.604 1.00 3.42 H new ATOM 0 HG12 ILE A 610 0.968 -11.890 -0.071 1.00 4.59 H new ATOM 0 HG13 ILE A 610 0.131 -10.378 0.218 1.00 4.59 H new ATOM 0 HG21 ILE A 610 2.628 -11.602 -1.488 1.00 3.70 H new ATOM 0 HG22 ILE A 610 2.642 -10.329 -2.732 1.00 3.70 H new ATOM 0 HG23 ILE A 610 2.533 -9.890 -1.011 1.00 3.70 H new ATOM 0 HD11 ILE A 610 -1.393 -12.289 0.487 1.00 5.54 H new ATOM 0 HD12 ILE A 610 -1.904 -11.278 -0.886 1.00 5.54 H new ATOM 0 HD13 ILE A 610 -1.053 -12.814 -1.179 1.00 5.54 H new ATOM 1226 N CYS A 611 1.509 -8.139 -3.940 1.00 1.80 N ATOM 1227 CA CYS A 611 2.022 -7.747 -5.254 1.00 2.14 C ATOM 1228 C CYS A 611 3.541 -7.447 -5.184 1.00 1.64 C ATOM 1229 O CYS A 611 4.191 -7.773 -4.186 1.00 2.77 O ATOM 1230 CB CYS A 611 1.210 -6.530 -5.710 1.00 3.63 C ATOM 1231 SG CYS A 611 1.309 -6.337 -7.515 1.00 5.18 S ATOM 0 H CYS A 611 2.037 -7.716 -3.176 1.00 1.80 H new ATOM 0 HA CYS A 611 1.910 -8.555 -5.978 1.00 2.14 H new ATOM 0 HB2 CYS A 611 0.169 -6.646 -5.407 1.00 3.63 H new ATOM 0 HB3 CYS A 611 1.586 -5.631 -5.221 1.00 3.63 H new ATOM 0 HG CYS A 611 0.559 -5.343 -7.887 1.00 5.18 H new ATOM 1237 N LEU A 612 4.098 -6.795 -6.215 1.00 1.67 N ATOM 1238 CA LEU A 612 5.510 -6.419 -6.419 1.00 1.52 C ATOM 1239 C LEU A 612 6.464 -7.631 -6.525 1.00 1.82 C ATOM 1240 O LEU A 612 6.959 -7.965 -7.601 1.00 2.23 O ATOM 1241 CB LEU A 612 5.976 -5.406 -5.347 1.00 1.52 C ATOM 1242 CG LEU A 612 5.317 -4.019 -5.435 1.00 1.31 C ATOM 1243 CD1 LEU A 612 5.564 -3.264 -4.134 1.00 2.18 C ATOM 1244 CD2 LEU A 612 5.917 -3.198 -6.577 1.00 1.01 C ATOM 0 H LEU A 612 3.522 -6.489 -6.999 1.00 1.67 H new ATOM 0 HA LEU A 612 5.559 -5.930 -7.392 1.00 1.52 H new ATOM 0 HB2 LEU A 612 5.776 -5.825 -4.361 1.00 1.52 H new ATOM 0 HB3 LEU A 612 7.056 -5.285 -5.428 1.00 1.52 H new ATOM 0 HG LEU A 612 4.251 -4.160 -5.613 1.00 1.31 H new ATOM 0 HD11 LEU A 612 5.099 -2.280 -4.191 1.00 2.18 H new ATOM 0 HD12 LEU A 612 5.133 -3.822 -3.302 1.00 2.18 H new ATOM 0 HD13 LEU A 612 6.637 -3.150 -3.977 1.00 2.18 H new ATOM 0 HD21 LEU A 612 5.433 -2.222 -6.617 1.00 1.01 H new ATOM 0 HD22 LEU A 612 6.986 -3.067 -6.408 1.00 1.01 H new ATOM 0 HD23 LEU A 612 5.760 -3.719 -7.521 1.00 1.01 H new ATOM 1256 N LEU A 613 6.686 -8.327 -5.405 1.00 2.05 N ATOM 1257 CA LEU A 613 7.473 -9.568 -5.315 1.00 2.67 C ATOM 1258 C LEU A 613 6.701 -10.825 -5.775 1.00 2.48 C ATOM 1259 O LEU A 613 7.242 -11.929 -5.771 1.00 3.04 O ATOM 1260 CB LEU A 613 8.080 -9.698 -3.902 1.00 3.24 C ATOM 1261 CG LEU A 613 7.131 -9.526 -2.694 1.00 3.62 C ATOM 1262 CD1 LEU A 613 5.930 -10.472 -2.714 1.00 3.50 C ATOM 1263 CD2 LEU A 613 7.917 -9.762 -1.404 1.00 4.84 C ATOM 0 H LEU A 613 6.311 -8.034 -4.503 1.00 2.05 H new ATOM 0 HA LEU A 613 8.294 -9.498 -6.028 1.00 2.67 H new ATOM 0 HB2 LEU A 613 8.545 -10.681 -3.826 1.00 3.24 H new ATOM 0 HB3 LEU A 613 8.877 -8.960 -3.810 1.00 3.24 H new ATOM 0 HG LEU A 613 6.738 -8.511 -2.750 1.00 3.62 H new ATOM 0 HD11 LEU A 613 5.310 -10.292 -1.835 1.00 3.50 H new ATOM 0 HD12 LEU A 613 5.342 -10.295 -3.615 1.00 3.50 H new ATOM 0 HD13 LEU A 613 6.280 -11.504 -2.706 1.00 3.50 H new ATOM 0 HD21 LEU A 613 7.254 -9.642 -0.547 1.00 4.84 H new ATOM 0 HD22 LEU A 613 8.327 -10.772 -1.407 1.00 4.84 H new ATOM 0 HD23 LEU A 613 8.731 -9.040 -1.337 1.00 4.84 H new ATOM 1275 N THR A 614 5.435 -10.653 -6.160 1.00 1.91 N ATOM 1276 CA THR A 614 4.552 -11.659 -6.767 1.00 1.91 C ATOM 1277 C THR A 614 3.438 -10.954 -7.551 1.00 1.92 C ATOM 1278 O THR A 614 3.334 -9.721 -7.519 1.00 2.28 O ATOM 1279 CB THR A 614 3.984 -12.625 -5.706 1.00 2.34 C ATOM 1280 OG1 THR A 614 3.456 -13.786 -6.315 1.00 3.21 O ATOM 1281 CG2 THR A 614 2.862 -12.013 -4.870 1.00 2.37 C ATOM 0 H THR A 614 4.967 -9.753 -6.051 1.00 1.91 H new ATOM 0 HA THR A 614 5.132 -12.268 -7.460 1.00 1.91 H new ATOM 0 HB THR A 614 4.827 -12.859 -5.056 1.00 2.34 H new ATOM 0 HG1 THR A 614 3.103 -14.386 -5.625 1.00 3.21 H new ATOM 0 HG21 THR A 614 2.508 -12.745 -4.144 1.00 2.37 H new ATOM 0 HG22 THR A 614 3.237 -11.134 -4.346 1.00 2.37 H new ATOM 0 HG23 THR A 614 2.039 -11.722 -5.523 1.00 2.37 H new ATOM 1289 N ARG A 615 2.593 -11.713 -8.258 1.00 1.95 N ATOM 1290 CA ARG A 615 1.285 -11.234 -8.731 1.00 2.21 C ATOM 1291 C ARG A 615 0.222 -12.333 -8.588 1.00 1.93 C ATOM 1292 O ARG A 615 0.402 -13.439 -9.093 1.00 2.35 O ATOM 1293 CB ARG A 615 1.425 -10.646 -10.151 1.00 3.28 C ATOM 1294 CG ARG A 615 1.851 -11.640 -11.251 1.00 3.27 C ATOM 1295 CD ARG A 615 1.923 -10.972 -12.631 1.00 4.52 C ATOM 1296 NE ARG A 615 3.014 -9.983 -12.737 1.00 5.73 N ATOM 1297 CZ ARG A 615 4.241 -10.188 -13.184 1.00 6.33 C ATOM 1298 NH1 ARG A 615 4.690 -11.365 -13.505 1.00 6.01 N ATOM 1299 NH2 ARG A 615 5.070 -9.195 -13.329 1.00 7.85 N ATOM 0 H ARG A 615 2.795 -12.678 -8.520 1.00 1.95 H new ATOM 0 HA ARG A 615 0.929 -10.416 -8.105 1.00 2.21 H new ATOM 0 HB2 ARG A 615 0.470 -10.205 -10.437 1.00 3.28 H new ATOM 0 HB3 ARG A 615 2.153 -9.836 -10.118 1.00 3.28 H new ATOM 0 HG2 ARG A 615 2.824 -12.062 -11.001 1.00 3.27 H new ATOM 0 HG3 ARG A 615 1.143 -12.468 -11.285 1.00 3.27 H new ATOM 0 HD2 ARG A 615 2.060 -11.739 -13.393 1.00 4.52 H new ATOM 0 HD3 ARG A 615 0.973 -10.481 -12.841 1.00 4.52 H new ATOM 0 HE ARG A 615 2.796 -9.035 -12.431 1.00 5.73 H new ATOM 0 HH11 ARG A 615 4.087 -12.183 -13.416 1.00 6.01 H new ATOM 0 HH12 ARG A 615 5.646 -11.471 -13.845 1.00 6.01 H new ATOM 0 HH21 ARG A 615 4.775 -8.247 -13.097 1.00 7.85 H new ATOM 0 HH22 ARG A 615 6.014 -9.365 -13.675 1.00 7.85 H new ATOM 1313 N GLY A 616 -0.890 -12.037 -7.910 1.00 2.28 N ATOM 1314 CA GLY A 616 -1.944 -13.023 -7.637 1.00 2.46 C ATOM 1315 C GLY A 616 -3.185 -12.474 -6.917 1.00 2.27 C ATOM 1316 O GLY A 616 -3.113 -11.455 -6.224 1.00 2.45 O ATOM 0 H GLY A 616 -1.087 -11.109 -7.535 1.00 2.28 H new ATOM 0 HA2 GLY A 616 -2.259 -13.465 -8.582 1.00 2.46 H new ATOM 0 HA3 GLY A 616 -1.520 -13.826 -7.034 1.00 2.46 H new ATOM 1320 N ARG A 617 -4.321 -13.163 -7.087 1.00 2.29 N ATOM 1321 CA ARG A 617 -5.629 -12.892 -6.456 1.00 2.26 C ATOM 1322 C ARG A 617 -5.647 -13.202 -4.956 1.00 2.41 C ATOM 1323 O ARG A 617 -4.905 -14.063 -4.471 1.00 2.73 O ATOM 1324 CB ARG A 617 -6.708 -13.744 -7.155 1.00 2.47 C ATOM 1325 CG ARG A 617 -7.077 -13.241 -8.561 1.00 2.05 C ATOM 1326 CD ARG A 617 -8.273 -12.280 -8.578 1.00 2.22 C ATOM 1327 NE ARG A 617 -9.546 -12.980 -8.312 1.00 2.96 N ATOM 1328 CZ ARG A 617 -10.336 -12.876 -7.259 1.00 4.46 C ATOM 1329 NH1 ARG A 617 -10.103 -12.093 -6.251 1.00 5.78 N ATOM 1330 NH2 ARG A 617 -11.414 -13.592 -7.170 1.00 5.17 N ATOM 0 H ARG A 617 -4.359 -13.974 -7.705 1.00 2.29 H new ATOM 0 HA ARG A 617 -5.827 -11.826 -6.568 1.00 2.26 H new ATOM 0 HB2 ARG A 617 -6.356 -14.773 -7.228 1.00 2.47 H new ATOM 0 HB3 ARG A 617 -7.605 -13.757 -6.536 1.00 2.47 H new ATOM 0 HG2 ARG A 617 -6.213 -12.739 -8.996 1.00 2.05 H new ATOM 0 HG3 ARG A 617 -7.301 -14.098 -9.196 1.00 2.05 H new ATOM 0 HD2 ARG A 617 -8.124 -11.501 -7.830 1.00 2.22 H new ATOM 0 HD3 ARG A 617 -8.327 -11.785 -9.547 1.00 2.22 H new ATOM 0 HE ARG A 617 -9.855 -13.628 -9.036 1.00 2.96 H new ATOM 0 HH11 ARG A 617 -9.267 -11.509 -6.241 1.00 5.78 H new ATOM 0 HH12 ARG A 617 -10.756 -12.061 -5.468 1.00 5.78 H new ATOM 0 HH21 ARG A 617 -11.658 -14.242 -7.917 1.00 5.17 H new ATOM 0 HH22 ARG A 617 -12.018 -13.505 -6.353 1.00 5.17 H new ATOM 1344 N ARG A 618 -6.542 -12.532 -4.231 1.00 2.52 N ATOM 1345 CA ARG A 618 -6.917 -12.815 -2.826 1.00 2.86 C ATOM 1346 C ARG A 618 -8.440 -12.820 -2.614 1.00 3.16 C ATOM 1347 O ARG A 618 -9.198 -12.463 -3.511 1.00 3.51 O ATOM 1348 CB ARG A 618 -6.201 -11.816 -1.889 1.00 3.17 C ATOM 1349 CG ARG A 618 -5.240 -12.517 -0.916 1.00 3.94 C ATOM 1350 CD ARG A 618 -4.830 -11.590 0.233 1.00 4.12 C ATOM 1351 NE ARG A 618 -4.026 -12.299 1.239 1.00 5.10 N ATOM 1352 CZ ARG A 618 -3.570 -11.820 2.379 1.00 6.18 C ATOM 1353 NH1 ARG A 618 -3.729 -10.595 2.776 1.00 6.71 N ATOM 1354 NH2 ARG A 618 -2.922 -12.600 3.181 1.00 7.27 N ATOM 0 H ARG A 618 -7.055 -11.739 -4.615 1.00 2.52 H new ATOM 0 HA ARG A 618 -6.586 -13.824 -2.579 1.00 2.86 H new ATOM 0 HB2 ARG A 618 -5.646 -11.094 -2.487 1.00 3.17 H new ATOM 0 HB3 ARG A 618 -6.945 -11.256 -1.322 1.00 3.17 H new ATOM 0 HG2 ARG A 618 -5.717 -13.410 -0.512 1.00 3.94 H new ATOM 0 HG3 ARG A 618 -4.351 -12.846 -1.454 1.00 3.94 H new ATOM 0 HD2 ARG A 618 -4.260 -10.749 -0.163 1.00 4.12 H new ATOM 0 HD3 ARG A 618 -5.722 -11.177 0.704 1.00 4.12 H new ATOM 0 HE ARG A 618 -3.795 -13.271 1.031 1.00 5.10 H new ATOM 0 HH11 ARG A 618 -4.236 -9.931 2.191 1.00 6.71 H new ATOM 0 HH12 ARG A 618 -3.347 -10.296 3.673 1.00 6.71 H new ATOM 0 HH21 ARG A 618 -2.768 -13.576 2.929 1.00 7.27 H new ATOM 0 HH22 ARG A 618 -2.565 -12.239 4.066 1.00 7.27 H new ATOM 1368 N THR A 619 -8.897 -13.199 -1.422 1.00 3.23 N ATOM 1369 CA THR A 619 -10.194 -12.763 -0.861 1.00 3.28 C ATOM 1370 C THR A 619 -9.960 -11.620 0.134 1.00 2.54 C ATOM 1371 O THR A 619 -9.190 -11.779 1.089 1.00 2.41 O ATOM 1372 CB THR A 619 -10.956 -13.919 -0.186 1.00 3.91 C ATOM 1373 OG1 THR A 619 -10.084 -14.685 0.613 1.00 4.84 O ATOM 1374 CG2 THR A 619 -11.596 -14.846 -1.216 1.00 4.28 C ATOM 0 H THR A 619 -8.379 -13.824 -0.805 1.00 3.23 H new ATOM 0 HA THR A 619 -10.817 -12.414 -1.685 1.00 3.28 H new ATOM 0 HB THR A 619 -11.736 -13.469 0.428 1.00 3.91 H new ATOM 0 HG1 THR A 619 -9.490 -14.088 1.114 1.00 4.84 H new ATOM 0 HG21 THR A 619 -12.125 -15.650 -0.703 1.00 4.28 H new ATOM 0 HG22 THR A 619 -12.300 -14.280 -1.827 1.00 4.28 H new ATOM 0 HG23 THR A 619 -10.821 -15.271 -1.854 1.00 4.28 H new ATOM 1382 N ALA A 620 -10.573 -10.451 -0.094 1.00 2.21 N ATOM 1383 CA ALA A 620 -10.378 -9.247 0.731 1.00 1.58 C ATOM 1384 C ALA A 620 -11.561 -8.257 0.678 1.00 1.38 C ATOM 1385 O ALA A 620 -12.211 -8.129 -0.361 1.00 1.83 O ATOM 1386 CB ALA A 620 -9.084 -8.555 0.281 1.00 1.98 C ATOM 0 H ALA A 620 -11.226 -10.311 -0.865 1.00 2.21 H new ATOM 0 HA ALA A 620 -10.313 -9.569 1.770 1.00 1.58 H new ATOM 0 HB1 ALA A 620 -8.922 -7.660 0.881 1.00 1.98 H new ATOM 0 HB2 ALA A 620 -8.243 -9.236 0.411 1.00 1.98 H new ATOM 0 HB3 ALA A 620 -9.166 -8.277 -0.770 1.00 1.98 H new ATOM 1392 N SER A 621 -11.814 -7.523 1.771 1.00 1.08 N ATOM 1393 CA SER A 621 -12.793 -6.421 1.843 1.00 1.30 C ATOM 1394 C SER A 621 -12.493 -5.471 3.015 1.00 1.24 C ATOM 1395 O SER A 621 -12.181 -5.923 4.116 1.00 1.34 O ATOM 1396 CB SER A 621 -14.210 -6.986 1.997 1.00 1.51 C ATOM 1397 OG SER A 621 -15.151 -5.931 2.009 1.00 2.78 O ATOM 0 H SER A 621 -11.332 -7.681 2.656 1.00 1.08 H new ATOM 0 HA SER A 621 -12.718 -5.854 0.915 1.00 1.30 H new ATOM 0 HB2 SER A 621 -14.429 -7.671 1.177 1.00 1.51 H new ATOM 0 HB3 SER A 621 -14.283 -7.561 2.920 1.00 1.51 H new ATOM 0 HG SER A 621 -16.054 -6.299 2.106 1.00 2.78 H new ATOM 1403 N VAL A 622 -12.568 -4.150 2.799 1.00 1.09 N ATOM 1404 CA VAL A 622 -12.327 -3.131 3.844 1.00 0.99 C ATOM 1405 C VAL A 622 -13.088 -1.817 3.578 1.00 0.85 C ATOM 1406 O VAL A 622 -13.172 -1.365 2.429 1.00 0.84 O ATOM 1407 CB VAL A 622 -10.804 -2.929 4.029 1.00 1.06 C ATOM 1408 CG1 VAL A 622 -10.042 -2.656 2.729 1.00 1.13 C ATOM 1409 CG2 VAL A 622 -10.471 -1.829 5.037 1.00 0.92 C ATOM 0 H VAL A 622 -12.799 -3.750 1.889 1.00 1.09 H new ATOM 0 HA VAL A 622 -12.734 -3.496 4.787 1.00 0.99 H new ATOM 0 HB VAL A 622 -10.467 -3.891 4.416 1.00 1.06 H new ATOM 0 HG11 VAL A 622 -8.982 -2.527 2.949 1.00 1.13 H new ATOM 0 HG12 VAL A 622 -10.171 -3.497 2.048 1.00 1.13 H new ATOM 0 HG13 VAL A 622 -10.429 -1.750 2.264 1.00 1.13 H new ATOM 0 HG21 VAL A 622 -9.389 -1.732 5.126 1.00 0.92 H new ATOM 0 HG22 VAL A 622 -10.893 -0.884 4.697 1.00 0.92 H new ATOM 0 HG23 VAL A 622 -10.893 -2.086 6.009 1.00 0.92 H new ATOM 1419 N ARG A 623 -13.630 -1.181 4.633 1.00 0.79 N ATOM 1420 CA ARG A 623 -14.370 0.097 4.572 1.00 0.73 C ATOM 1421 C ARG A 623 -13.785 1.220 5.429 1.00 0.75 C ATOM 1422 O ARG A 623 -13.169 0.978 6.464 1.00 0.76 O ATOM 1423 CB ARG A 623 -15.849 -0.158 4.911 1.00 0.81 C ATOM 1424 CG ARG A 623 -16.089 -0.445 6.405 1.00 1.04 C ATOM 1425 CD ARG A 623 -17.036 -1.628 6.596 1.00 1.15 C ATOM 1426 NE ARG A 623 -17.432 -1.790 8.005 1.00 2.55 N ATOM 1427 CZ ARG A 623 -17.933 -2.877 8.560 1.00 3.40 C ATOM 1428 NH1 ARG A 623 -18.256 -3.936 7.877 1.00 3.16 N ATOM 1429 NH2 ARG A 623 -18.121 -2.966 9.841 1.00 5.02 N ATOM 0 H ARG A 623 -13.564 -1.552 5.581 1.00 0.79 H new ATOM 0 HA ARG A 623 -14.273 0.465 3.550 1.00 0.73 H new ATOM 0 HB2 ARG A 623 -16.438 0.711 4.616 1.00 0.81 H new ATOM 0 HB3 ARG A 623 -16.209 -1.002 4.323 1.00 0.81 H new ATOM 0 HG2 ARG A 623 -15.138 -0.654 6.895 1.00 1.04 H new ATOM 0 HG3 ARG A 623 -16.507 0.440 6.885 1.00 1.04 H new ATOM 0 HD2 ARG A 623 -17.926 -1.484 5.983 1.00 1.15 H new ATOM 0 HD3 ARG A 623 -16.553 -2.541 6.247 1.00 1.15 H new ATOM 0 HE ARG A 623 -17.306 -0.981 8.613 1.00 2.55 H new ATOM 0 HH11 ARG A 623 -18.125 -3.950 6.866 1.00 3.16 H new ATOM 0 HH12 ARG A 623 -18.640 -4.752 8.353 1.00 3.16 H new ATOM 0 HH21 ARG A 623 -17.880 -2.182 10.448 1.00 5.02 H new ATOM 0 HH22 ARG A 623 -18.510 -3.820 10.241 1.00 5.02 H new ATOM 1443 N ALA A 624 -14.030 2.457 5.013 1.00 0.78 N ATOM 1444 CA ALA A 624 -13.687 3.655 5.767 1.00 0.77 C ATOM 1445 C ALA A 624 -14.612 3.806 6.988 1.00 0.81 C ATOM 1446 O ALA A 624 -15.828 3.934 6.835 1.00 0.97 O ATOM 1447 CB ALA A 624 -13.771 4.851 4.813 1.00 0.84 C ATOM 0 H ALA A 624 -14.483 2.659 4.122 1.00 0.78 H new ATOM 0 HA ALA A 624 -12.673 3.591 6.162 1.00 0.77 H new ATOM 0 HB1 ALA A 624 -13.519 5.764 5.352 1.00 0.84 H new ATOM 0 HB2 ALA A 624 -13.071 4.710 3.990 1.00 0.84 H new ATOM 0 HB3 ALA A 624 -14.784 4.931 4.418 1.00 0.84 H new ATOM 1453 N ASP A 625 -14.046 3.826 8.199 1.00 0.75 N ATOM 1454 CA ASP A 625 -14.816 4.098 9.424 1.00 0.82 C ATOM 1455 C ASP A 625 -15.217 5.574 9.509 1.00 0.89 C ATOM 1456 O ASP A 625 -16.208 5.918 10.160 1.00 1.00 O ATOM 1457 CB ASP A 625 -14.001 3.722 10.681 1.00 0.83 C ATOM 1458 CG ASP A 625 -14.745 2.695 11.536 1.00 1.35 C ATOM 1459 OD1 ASP A 625 -15.009 1.587 11.020 1.00 2.60 O ATOM 1460 OD2 ASP A 625 -15.138 3.013 12.686 1.00 1.82 O ATOM 0 H ASP A 625 -13.053 3.657 8.361 1.00 0.75 H new ATOM 0 HA ASP A 625 -15.717 3.486 9.381 1.00 0.82 H new ATOM 0 HB2 ASP A 625 -13.033 3.318 10.383 1.00 0.83 H new ATOM 0 HB3 ASP A 625 -13.805 4.617 11.272 1.00 0.83 H new ATOM 1465 N THR A 626 -14.421 6.435 8.868 1.00 0.83 N ATOM 1466 CA THR A 626 -14.496 7.897 8.975 1.00 0.84 C ATOM 1467 C THR A 626 -14.060 8.546 7.653 1.00 0.79 C ATOM 1468 O THR A 626 -13.649 7.835 6.738 1.00 0.78 O ATOM 1469 CB THR A 626 -13.644 8.340 10.179 1.00 0.88 C ATOM 1470 OG1 THR A 626 -13.691 9.734 10.360 1.00 0.95 O ATOM 1471 CG2 THR A 626 -12.181 7.903 10.083 1.00 0.88 C ATOM 0 H THR A 626 -13.681 6.124 8.239 1.00 0.83 H new ATOM 0 HA THR A 626 -15.520 8.227 9.150 1.00 0.84 H new ATOM 0 HB THR A 626 -14.088 7.838 11.039 1.00 0.88 H new ATOM 0 HG1 THR A 626 -13.142 9.982 11.133 1.00 0.95 H new ATOM 0 HG21 THR A 626 -11.640 8.248 10.964 1.00 0.88 H new ATOM 0 HG22 THR A 626 -12.129 6.816 10.028 1.00 0.88 H new ATOM 0 HG23 THR A 626 -11.731 8.333 9.188 1.00 0.88 H new ATOM 1479 N TYR A 627 -14.124 9.876 7.530 1.00 0.81 N ATOM 1480 CA TYR A 627 -13.455 10.610 6.449 1.00 0.81 C ATOM 1481 C TYR A 627 -11.953 10.311 6.551 1.00 0.77 C ATOM 1482 O TYR A 627 -11.269 10.754 7.477 1.00 0.87 O ATOM 1483 CB TYR A 627 -13.825 12.103 6.528 1.00 0.89 C ATOM 1484 CG TYR A 627 -12.876 13.111 5.884 1.00 1.12 C ATOM 1485 CD1 TYR A 627 -12.896 13.331 4.492 1.00 2.17 C ATOM 1486 CD2 TYR A 627 -12.029 13.895 6.695 1.00 2.34 C ATOM 1487 CE1 TYR A 627 -12.083 14.336 3.917 1.00 2.35 C ATOM 1488 CE2 TYR A 627 -11.220 14.898 6.124 1.00 2.65 C ATOM 1489 CZ TYR A 627 -11.248 15.124 4.732 1.00 1.91 C ATOM 1490 OH TYR A 627 -10.482 16.107 4.180 1.00 2.34 O ATOM 0 H TYR A 627 -14.640 10.474 8.176 1.00 0.81 H new ATOM 0 HA TYR A 627 -13.782 10.292 5.459 1.00 0.81 H new ATOM 0 HB2 TYR A 627 -14.806 12.229 6.071 1.00 0.89 H new ATOM 0 HB3 TYR A 627 -13.928 12.366 7.581 1.00 0.89 H new ATOM 0 HD1 TYR A 627 -13.535 12.730 3.862 1.00 2.17 H new ATOM 0 HD2 TYR A 627 -12.000 13.725 7.761 1.00 2.34 H new ATOM 0 HE1 TYR A 627 -12.103 14.499 2.850 1.00 2.35 H new ATOM 0 HE2 TYR A 627 -10.577 15.495 6.754 1.00 2.65 H new ATOM 0 HH TYR A 627 -9.967 16.554 4.884 1.00 2.34 H new ATOM 1500 N CYS A 628 -11.476 9.448 5.653 1.00 0.69 N ATOM 1501 CA CYS A 628 -10.143 8.862 5.684 1.00 0.66 C ATOM 1502 C CYS A 628 -9.310 9.454 4.534 1.00 0.71 C ATOM 1503 O CYS A 628 -9.707 9.420 3.363 1.00 0.81 O ATOM 1504 CB CYS A 628 -10.234 7.310 5.732 1.00 0.65 C ATOM 1505 SG CYS A 628 -10.584 6.546 4.132 1.00 2.23 S ATOM 0 H CYS A 628 -12.030 9.129 4.858 1.00 0.69 H new ATOM 0 HA CYS A 628 -9.608 9.123 6.597 1.00 0.66 H new ATOM 0 HB2 CYS A 628 -9.294 6.913 6.115 1.00 0.65 H new ATOM 0 HB3 CYS A 628 -11.013 7.023 6.438 1.00 0.65 H new ATOM 0 HG CYS A 628 -10.431 7.427 3.188 1.00 2.23 H new ATOM 1511 N ARG A 629 -8.147 10.013 4.891 1.00 0.73 N ATOM 1512 CA ARG A 629 -7.059 10.370 3.975 1.00 0.73 C ATOM 1513 C ARG A 629 -6.183 9.151 3.792 1.00 0.68 C ATOM 1514 O ARG A 629 -5.509 8.703 4.727 1.00 0.72 O ATOM 1515 CB ARG A 629 -6.208 11.523 4.548 1.00 0.85 C ATOM 1516 CG ARG A 629 -6.409 12.806 3.757 1.00 1.44 C ATOM 1517 CD ARG A 629 -7.830 13.355 3.916 1.00 1.58 C ATOM 1518 NE ARG A 629 -8.021 13.979 5.238 1.00 2.67 N ATOM 1519 CZ ARG A 629 -7.602 15.163 5.639 1.00 2.94 C ATOM 1520 NH1 ARG A 629 -7.074 16.049 4.851 1.00 2.83 N ATOM 1521 NH2 ARG A 629 -7.697 15.498 6.887 1.00 4.10 N ATOM 0 H ARG A 629 -7.931 10.237 5.862 1.00 0.73 H new ATOM 0 HA ARG A 629 -7.481 10.698 3.025 1.00 0.73 H new ATOM 0 HB2 ARG A 629 -6.475 11.691 5.591 1.00 0.85 H new ATOM 0 HB3 ARG A 629 -5.155 11.244 4.530 1.00 0.85 H new ATOM 0 HG2 ARG A 629 -5.691 13.555 4.090 1.00 1.44 H new ATOM 0 HG3 ARG A 629 -6.208 12.618 2.702 1.00 1.44 H new ATOM 0 HD2 ARG A 629 -8.028 14.088 3.134 1.00 1.58 H new ATOM 0 HD3 ARG A 629 -8.550 12.547 3.786 1.00 1.58 H new ATOM 0 HE ARG A 629 -8.539 13.429 5.924 1.00 2.67 H new ATOM 0 HH11 ARG A 629 -6.963 15.847 3.857 1.00 2.83 H new ATOM 0 HH12 ARG A 629 -6.770 16.948 5.225 1.00 2.83 H new ATOM 0 HH21 ARG A 629 -8.097 14.845 7.561 1.00 4.10 H new ATOM 0 HH22 ARG A 629 -7.372 16.414 7.195 1.00 4.10 H new ATOM 1535 N LEU A 630 -6.206 8.648 2.574 1.00 0.68 N ATOM 1536 CA LEU A 630 -5.381 7.533 2.121 1.00 0.70 C ATOM 1537 C LEU A 630 -4.345 8.018 1.090 1.00 0.76 C ATOM 1538 O LEU A 630 -4.313 9.182 0.691 1.00 1.01 O ATOM 1539 CB LEU A 630 -6.270 6.380 1.593 1.00 0.68 C ATOM 1540 CG LEU A 630 -7.439 5.920 2.496 1.00 0.67 C ATOM 1541 CD1 LEU A 630 -8.084 4.642 1.944 1.00 0.68 C ATOM 1542 CD2 LEU A 630 -7.036 5.592 3.937 1.00 0.74 C ATOM 0 H LEU A 630 -6.818 9.012 1.844 1.00 0.68 H new ATOM 0 HA LEU A 630 -4.819 7.130 2.964 1.00 0.70 H new ATOM 0 HB2 LEU A 630 -6.685 6.686 0.632 1.00 0.68 H new ATOM 0 HB3 LEU A 630 -5.629 5.519 1.404 1.00 0.68 H new ATOM 0 HG LEU A 630 -8.119 6.772 2.499 1.00 0.67 H new ATOM 0 HD11 LEU A 630 -8.903 4.337 2.595 1.00 0.68 H new ATOM 0 HD12 LEU A 630 -8.468 4.832 0.942 1.00 0.68 H new ATOM 0 HD13 LEU A 630 -7.339 3.847 1.902 1.00 0.68 H new ATOM 0 HD21 LEU A 630 -7.916 5.279 4.499 1.00 0.74 H new ATOM 0 HD22 LEU A 630 -6.301 4.787 3.935 1.00 0.74 H new ATOM 0 HD23 LEU A 630 -6.604 6.477 4.404 1.00 0.74 H new ATOM 1554 N TYR A 631 -3.489 7.109 0.649 1.00 0.64 N ATOM 1555 CA TYR A 631 -2.582 7.277 -0.486 1.00 0.66 C ATOM 1556 C TYR A 631 -2.750 6.099 -1.458 1.00 0.70 C ATOM 1557 O TYR A 631 -3.159 5.013 -1.027 1.00 0.84 O ATOM 1558 CB TYR A 631 -1.138 7.367 0.039 1.00 0.79 C ATOM 1559 CG TYR A 631 -0.518 8.752 0.080 1.00 2.21 C ATOM 1560 CD1 TYR A 631 -0.630 9.560 1.225 1.00 3.62 C ATOM 1561 CD2 TYR A 631 0.251 9.195 -1.007 1.00 3.32 C ATOM 1562 CE1 TYR A 631 0.064 10.786 1.300 1.00 5.14 C ATOM 1563 CE2 TYR A 631 0.938 10.426 -0.948 1.00 4.78 C ATOM 1564 CZ TYR A 631 0.863 11.215 0.220 1.00 5.48 C ATOM 1565 OH TYR A 631 1.580 12.372 0.314 1.00 7.07 O ATOM 0 H TYR A 631 -3.400 6.193 1.089 1.00 0.64 H new ATOM 0 HA TYR A 631 -2.815 8.195 -1.026 1.00 0.66 H new ATOM 0 HB2 TYR A 631 -1.115 6.953 1.047 1.00 0.79 H new ATOM 0 HB3 TYR A 631 -0.509 6.730 -0.582 1.00 0.79 H new ATOM 0 HD1 TYR A 631 -1.250 9.241 2.050 1.00 3.62 H new ATOM 0 HD2 TYR A 631 0.318 8.588 -1.898 1.00 3.32 H new ATOM 0 HE1 TYR A 631 -0.017 11.397 2.187 1.00 5.14 H new ATOM 0 HE2 TYR A 631 1.519 10.763 -1.793 1.00 4.78 H new ATOM 0 HH TYR A 631 2.076 12.518 -0.519 1.00 7.07 H new ATOM 1575 N SER A 632 -2.414 6.271 -2.742 1.00 0.69 N ATOM 1576 CA SER A 632 -2.196 5.124 -3.651 1.00 0.70 C ATOM 1577 C SER A 632 -0.922 5.218 -4.499 1.00 0.68 C ATOM 1578 O SER A 632 -0.593 6.265 -5.060 1.00 0.79 O ATOM 1579 CB SER A 632 -3.428 4.802 -4.512 1.00 0.91 C ATOM 1580 OG SER A 632 -4.025 5.947 -5.092 1.00 1.77 O ATOM 0 H SER A 632 -2.286 7.184 -3.179 1.00 0.69 H new ATOM 0 HA SER A 632 -2.037 4.280 -2.980 1.00 0.70 H new ATOM 0 HB2 SER A 632 -3.138 4.112 -5.304 1.00 0.91 H new ATOM 0 HB3 SER A 632 -4.167 4.288 -3.897 1.00 0.91 H new ATOM 0 HG SER A 632 -4.962 6.004 -4.812 1.00 1.77 H new ATOM 1586 N LEU A 633 -0.202 4.092 -4.592 1.00 0.64 N ATOM 1587 CA LEU A 633 1.103 3.943 -5.247 1.00 0.67 C ATOM 1588 C LEU A 633 1.063 2.760 -6.229 1.00 0.67 C ATOM 1589 O LEU A 633 0.683 1.641 -5.867 1.00 0.67 O ATOM 1590 CB LEU A 633 2.178 3.772 -4.150 1.00 0.73 C ATOM 1591 CG LEU A 633 3.626 4.137 -4.546 1.00 0.88 C ATOM 1592 CD1 LEU A 633 4.482 4.146 -3.279 1.00 1.14 C ATOM 1593 CD2 LEU A 633 4.257 3.149 -5.528 1.00 1.39 C ATOM 0 H LEU A 633 -0.532 3.214 -4.191 1.00 0.64 H new ATOM 0 HA LEU A 633 1.352 4.827 -5.835 1.00 0.67 H new ATOM 0 HB2 LEU A 633 1.893 4.384 -3.294 1.00 0.73 H new ATOM 0 HB3 LEU A 633 2.166 2.734 -3.818 1.00 0.73 H new ATOM 0 HG LEU A 633 3.587 5.109 -5.037 1.00 0.88 H new ATOM 0 HD11 LEU A 633 5.510 4.402 -3.536 1.00 1.14 H new ATOM 0 HD12 LEU A 633 4.089 4.884 -2.579 1.00 1.14 H new ATOM 0 HD13 LEU A 633 4.458 3.159 -2.817 1.00 1.14 H new ATOM 0 HD21 LEU A 633 5.273 3.467 -5.762 1.00 1.39 H new ATOM 0 HD22 LEU A 633 4.282 2.156 -5.079 1.00 1.39 H new ATOM 0 HD23 LEU A 633 3.666 3.119 -6.444 1.00 1.39 H new ATOM 1605 N SER A 634 1.451 3.011 -7.478 1.00 0.77 N ATOM 1606 CA SER A 634 1.390 2.021 -8.570 1.00 0.80 C ATOM 1607 C SER A 634 2.710 1.261 -8.796 1.00 0.85 C ATOM 1608 O SER A 634 3.798 1.845 -8.801 1.00 0.87 O ATOM 1609 CB SER A 634 0.905 2.697 -9.858 1.00 0.90 C ATOM 1610 OG SER A 634 1.704 3.829 -10.142 1.00 2.25 O ATOM 0 H SER A 634 1.822 3.915 -7.771 1.00 0.77 H new ATOM 0 HA SER A 634 0.672 1.259 -8.266 1.00 0.80 H new ATOM 0 HB2 SER A 634 0.951 1.992 -10.688 1.00 0.90 H new ATOM 0 HB3 SER A 634 -0.138 2.996 -9.751 1.00 0.90 H new ATOM 0 HG SER A 634 2.318 3.620 -10.876 1.00 2.25 H new ATOM 1616 N VAL A 635 2.638 -0.052 -9.078 1.00 1.00 N ATOM 1617 CA VAL A 635 3.838 -0.834 -9.447 1.00 1.28 C ATOM 1618 C VAL A 635 4.387 -0.450 -10.822 1.00 1.40 C ATOM 1619 O VAL A 635 5.560 -0.697 -11.106 1.00 1.68 O ATOM 1620 CB VAL A 635 3.694 -2.366 -9.325 1.00 1.45 C ATOM 1621 CG1 VAL A 635 2.984 -2.813 -8.046 1.00 1.45 C ATOM 1622 CG2 VAL A 635 3.033 -3.088 -10.497 1.00 2.09 C ATOM 0 H VAL A 635 1.773 -0.592 -9.059 1.00 1.00 H new ATOM 0 HA VAL A 635 4.565 -0.550 -8.686 1.00 1.28 H new ATOM 0 HB VAL A 635 4.743 -2.663 -9.311 1.00 1.45 H new ATOM 0 HG11 VAL A 635 2.918 -3.901 -8.028 1.00 1.45 H new ATOM 0 HG12 VAL A 635 3.547 -2.469 -7.178 1.00 1.45 H new ATOM 0 HG13 VAL A 635 1.980 -2.388 -8.020 1.00 1.45 H new ATOM 0 HG21 VAL A 635 2.992 -4.157 -10.289 1.00 2.09 H new ATOM 0 HG22 VAL A 635 2.022 -2.706 -10.636 1.00 2.09 H new ATOM 0 HG23 VAL A 635 3.613 -2.917 -11.404 1.00 2.09 H new ATOM 1632 N ASP A 636 3.562 0.207 -11.642 1.00 1.35 N ATOM 1633 CA ASP A 636 3.953 0.814 -12.918 1.00 1.75 C ATOM 1634 C ASP A 636 5.072 1.864 -12.738 1.00 1.66 C ATOM 1635 O ASP A 636 5.950 1.988 -13.598 1.00 2.05 O ATOM 1636 CB ASP A 636 2.726 1.480 -13.567 1.00 2.01 C ATOM 1637 CG ASP A 636 1.509 0.560 -13.723 1.00 2.34 C ATOM 1638 OD1 ASP A 636 1.485 -0.298 -14.637 1.00 2.75 O ATOM 1639 OD2 ASP A 636 0.523 0.731 -12.968 1.00 2.97 O ATOM 0 H ASP A 636 2.573 0.335 -11.430 1.00 1.35 H new ATOM 0 HA ASP A 636 4.338 0.022 -13.560 1.00 1.75 H new ATOM 0 HB2 ASP A 636 2.438 2.343 -12.967 1.00 2.01 H new ATOM 0 HB3 ASP A 636 3.010 1.855 -14.550 1.00 2.01 H new ATOM 1644 N ASN A 637 5.078 2.587 -11.607 1.00 1.22 N ATOM 1645 CA ASN A 637 6.168 3.477 -11.198 1.00 1.05 C ATOM 1646 C ASN A 637 7.224 2.759 -10.333 1.00 0.96 C ATOM 1647 O ASN A 637 8.403 3.059 -10.494 1.00 1.10 O ATOM 1648 CB ASN A 637 5.591 4.738 -10.539 1.00 1.10 C ATOM 1649 CG ASN A 637 4.703 5.520 -11.492 1.00 1.46 C ATOM 1650 OD1 ASN A 637 3.507 5.636 -11.304 1.00 2.26 O ATOM 1651 ND2 ASN A 637 5.223 6.122 -12.531 1.00 1.58 N ATOM 0 H ASN A 637 4.307 2.566 -10.939 1.00 1.22 H new ATOM 0 HA ASN A 637 6.713 3.792 -12.088 1.00 1.05 H new ATOM 0 HB2 ASN A 637 5.017 4.456 -9.657 1.00 1.10 H new ATOM 0 HB3 ASN A 637 6.407 5.375 -10.198 1.00 1.10 H new ATOM 0 HD21 ASN A 637 4.628 6.668 -13.154 1.00 1.58 H new ATOM 0 HD22 ASN A 637 6.223 6.045 -12.717 1.00 1.58 H new ATOM 1658 N PHE A 638 6.871 1.765 -9.501 1.00 0.92 N ATOM 1659 CA PHE A 638 7.846 0.952 -8.734 1.00 1.00 C ATOM 1660 C PHE A 638 8.923 0.309 -9.636 1.00 1.18 C ATOM 1661 O PHE A 638 10.120 0.441 -9.385 1.00 1.16 O ATOM 1662 CB PHE A 638 7.124 -0.117 -7.914 1.00 1.18 C ATOM 1663 CG PHE A 638 7.959 -0.685 -6.777 1.00 1.32 C ATOM 1664 CD1 PHE A 638 9.009 -1.594 -7.031 1.00 2.50 C ATOM 1665 CD2 PHE A 638 7.635 -0.357 -5.446 1.00 1.64 C ATOM 1666 CE1 PHE A 638 9.710 -2.180 -5.960 1.00 2.67 C ATOM 1667 CE2 PHE A 638 8.343 -0.935 -4.379 1.00 1.72 C ATOM 1668 CZ PHE A 638 9.374 -1.852 -4.637 1.00 1.70 C ATOM 0 H PHE A 638 5.901 1.497 -9.337 1.00 0.92 H new ATOM 0 HA PHE A 638 8.364 1.632 -8.058 1.00 1.00 H new ATOM 0 HB2 PHE A 638 6.209 0.310 -7.503 1.00 1.18 H new ATOM 0 HB3 PHE A 638 6.827 -0.930 -8.576 1.00 1.18 H new ATOM 0 HD1 PHE A 638 9.275 -1.840 -8.048 1.00 2.50 H new ATOM 0 HD2 PHE A 638 6.838 0.343 -5.245 1.00 1.64 H new ATOM 0 HE1 PHE A 638 10.507 -2.882 -6.156 1.00 2.67 H new ATOM 0 HE2 PHE A 638 8.094 -0.674 -3.361 1.00 1.72 H new ATOM 0 HZ PHE A 638 9.910 -2.306 -3.816 1.00 1.70 H new ATOM 1678 N ASN A 639 8.505 -0.333 -10.734 1.00 1.39 N ATOM 1679 CA ASN A 639 9.396 -0.959 -11.726 1.00 1.59 C ATOM 1680 C ASN A 639 10.195 0.072 -12.571 1.00 1.62 C ATOM 1681 O ASN A 639 11.091 -0.297 -13.335 1.00 1.94 O ATOM 1682 CB ASN A 639 8.543 -1.888 -12.616 1.00 1.72 C ATOM 1683 CG ASN A 639 8.117 -3.192 -11.962 1.00 1.82 C ATOM 1684 OD1 ASN A 639 8.796 -4.208 -12.061 1.00 2.38 O ATOM 1685 ND2 ASN A 639 6.981 -3.233 -11.312 1.00 1.62 N ATOM 0 H ASN A 639 7.517 -0.435 -10.965 1.00 1.39 H new ATOM 0 HA ASN A 639 10.157 -1.534 -11.198 1.00 1.59 H new ATOM 0 HB2 ASN A 639 7.650 -1.347 -12.928 1.00 1.72 H new ATOM 0 HB3 ASN A 639 9.108 -2.120 -13.519 1.00 1.72 H new ATOM 0 HD21 ASN A 639 6.665 -4.107 -10.891 1.00 1.62 H new ATOM 0 HD22 ASN A 639 6.412 -2.391 -11.226 1.00 1.62 H new ATOM 1692 N GLU A 640 9.858 1.361 -12.464 1.00 1.40 N ATOM 1693 CA GLU A 640 10.479 2.523 -13.125 1.00 1.50 C ATOM 1694 C GLU A 640 11.566 3.188 -12.261 1.00 1.48 C ATOM 1695 O GLU A 640 12.658 3.491 -12.749 1.00 1.61 O ATOM 1696 CB GLU A 640 9.332 3.462 -13.553 1.00 1.45 C ATOM 1697 CG GLU A 640 9.560 4.968 -13.420 1.00 2.49 C ATOM 1698 CD GLU A 640 8.310 5.787 -13.767 1.00 3.73 C ATOM 1699 OE1 GLU A 640 7.685 5.600 -14.842 1.00 4.17 O ATOM 1700 OE2 GLU A 640 7.942 6.673 -12.962 1.00 5.14 O ATOM 0 H GLU A 640 9.082 1.646 -11.866 1.00 1.40 H new ATOM 0 HA GLU A 640 11.034 2.218 -14.012 1.00 1.50 H new ATOM 0 HB2 GLU A 640 9.096 3.249 -14.596 1.00 1.45 H new ATOM 0 HB3 GLU A 640 8.450 3.203 -12.967 1.00 1.45 H new ATOM 0 HG2 GLU A 640 9.868 5.196 -12.400 1.00 2.49 H new ATOM 0 HG3 GLU A 640 10.379 5.267 -14.074 1.00 2.49 H new ATOM 1707 N VAL A 641 11.290 3.364 -10.966 1.00 1.30 N ATOM 1708 CA VAL A 641 12.267 3.857 -9.972 1.00 1.18 C ATOM 1709 C VAL A 641 13.333 2.804 -9.653 1.00 1.26 C ATOM 1710 O VAL A 641 14.493 3.155 -9.453 1.00 1.32 O ATOM 1711 CB VAL A 641 11.565 4.402 -8.709 1.00 0.90 C ATOM 1712 CG1 VAL A 641 10.689 3.380 -7.994 1.00 0.79 C ATOM 1713 CG2 VAL A 641 12.522 4.960 -7.651 1.00 0.82 C ATOM 0 H VAL A 641 10.372 3.168 -10.566 1.00 1.30 H new ATOM 0 HA VAL A 641 12.796 4.699 -10.418 1.00 1.18 H new ATOM 0 HB VAL A 641 10.952 5.202 -9.124 1.00 0.90 H new ATOM 0 HG11 VAL A 641 10.232 3.841 -7.118 1.00 0.79 H new ATOM 0 HG12 VAL A 641 9.908 3.034 -8.671 1.00 0.79 H new ATOM 0 HG13 VAL A 641 11.300 2.533 -7.681 1.00 0.79 H new ATOM 0 HG21 VAL A 641 11.949 5.322 -6.797 1.00 0.82 H new ATOM 0 HG22 VAL A 641 13.202 4.173 -7.325 1.00 0.82 H new ATOM 0 HG23 VAL A 641 13.096 5.782 -8.078 1.00 0.82 H new ATOM 1723 N LEU A 642 12.993 1.507 -9.688 1.00 1.32 N ATOM 1724 CA LEU A 642 13.965 0.420 -9.471 1.00 1.42 C ATOM 1725 C LEU A 642 15.156 0.434 -10.452 1.00 1.56 C ATOM 1726 O LEU A 642 16.233 -0.064 -10.123 1.00 1.59 O ATOM 1727 CB LEU A 642 13.270 -0.959 -9.531 1.00 1.40 C ATOM 1728 CG LEU A 642 13.107 -1.667 -8.174 1.00 1.40 C ATOM 1729 CD1 LEU A 642 12.577 -3.082 -8.411 1.00 1.63 C ATOM 1730 CD2 LEU A 642 14.432 -1.802 -7.412 1.00 2.18 C ATOM 0 H LEU A 642 12.043 1.181 -9.866 1.00 1.32 H new ATOM 0 HA LEU A 642 14.373 0.597 -8.476 1.00 1.42 H new ATOM 0 HB2 LEU A 642 12.284 -0.833 -9.978 1.00 1.40 H new ATOM 0 HB3 LEU A 642 13.841 -1.608 -10.196 1.00 1.40 H new ATOM 0 HG LEU A 642 12.423 -1.060 -7.581 1.00 1.40 H new ATOM 0 HD11 LEU A 642 12.458 -3.591 -7.455 1.00 1.63 H new ATOM 0 HD12 LEU A 642 11.613 -3.029 -8.916 1.00 1.63 H new ATOM 0 HD13 LEU A 642 13.282 -3.635 -9.032 1.00 1.63 H new ATOM 0 HD21 LEU A 642 14.256 -2.309 -6.463 1.00 2.18 H new ATOM 0 HD22 LEU A 642 15.137 -2.382 -8.008 1.00 2.18 H new ATOM 0 HD23 LEU A 642 14.846 -0.811 -7.223 1.00 2.18 H new ATOM 1742 N GLU A 643 14.994 1.024 -11.640 1.00 1.69 N ATOM 1743 CA GLU A 643 16.056 1.191 -12.632 1.00 1.88 C ATOM 1744 C GLU A 643 17.265 1.961 -12.072 1.00 1.49 C ATOM 1745 O GLU A 643 18.407 1.657 -12.416 1.00 1.37 O ATOM 1746 CB GLU A 643 15.467 1.950 -13.826 1.00 2.38 C ATOM 1747 CG GLU A 643 14.247 1.248 -14.443 1.00 2.65 C ATOM 1748 CD GLU A 643 14.670 0.133 -15.397 1.00 2.72 C ATOM 1749 OE1 GLU A 643 15.020 -0.971 -14.916 1.00 2.62 O ATOM 1750 OE2 GLU A 643 14.699 0.333 -16.635 1.00 3.69 O ATOM 0 H GLU A 643 14.099 1.407 -11.944 1.00 1.69 H new ATOM 0 HA GLU A 643 16.419 0.206 -12.926 1.00 1.88 H new ATOM 0 HB2 GLU A 643 15.179 2.952 -13.506 1.00 2.38 H new ATOM 0 HB3 GLU A 643 16.236 2.068 -14.590 1.00 2.38 H new ATOM 0 HG2 GLU A 643 13.624 0.834 -13.650 1.00 2.65 H new ATOM 0 HG3 GLU A 643 13.639 1.976 -14.979 1.00 2.65 H new ATOM 1757 N GLU A 644 17.048 2.894 -11.144 1.00 1.32 N ATOM 1758 CA GLU A 644 18.092 3.712 -10.524 1.00 1.16 C ATOM 1759 C GLU A 644 18.938 2.949 -9.491 1.00 0.98 C ATOM 1760 O GLU A 644 20.075 3.352 -9.223 1.00 0.99 O ATOM 1761 CB GLU A 644 17.406 4.891 -9.844 1.00 1.14 C ATOM 1762 CG GLU A 644 16.719 5.833 -10.832 1.00 1.45 C ATOM 1763 CD GLU A 644 17.641 6.950 -11.321 1.00 1.73 C ATOM 1764 OE1 GLU A 644 18.096 7.791 -10.501 1.00 2.80 O ATOM 1765 OE2 GLU A 644 17.958 6.967 -12.536 1.00 1.79 O ATOM 0 H GLU A 644 16.115 3.108 -10.793 1.00 1.32 H new ATOM 0 HA GLU A 644 18.782 4.029 -11.306 1.00 1.16 H new ATOM 0 HB2 GLU A 644 16.668 4.515 -9.135 1.00 1.14 H new ATOM 0 HB3 GLU A 644 18.143 5.451 -9.269 1.00 1.14 H new ATOM 0 HG2 GLU A 644 16.365 5.259 -11.688 1.00 1.45 H new ATOM 0 HG3 GLU A 644 15.842 6.273 -10.358 1.00 1.45 H new ATOM 1772 N TYR A 645 18.396 1.869 -8.914 1.00 0.95 N ATOM 1773 CA TYR A 645 18.925 1.207 -7.713 1.00 0.93 C ATOM 1774 C TYR A 645 19.145 -0.310 -7.910 1.00 1.01 C ATOM 1775 O TYR A 645 18.421 -1.126 -7.326 1.00 1.09 O ATOM 1776 CB TYR A 645 18.016 1.510 -6.505 1.00 0.93 C ATOM 1777 CG TYR A 645 17.734 2.982 -6.271 1.00 0.90 C ATOM 1778 CD1 TYR A 645 18.640 3.793 -5.560 1.00 1.44 C ATOM 1779 CD2 TYR A 645 16.554 3.543 -6.789 1.00 2.30 C ATOM 1780 CE1 TYR A 645 18.370 5.167 -5.388 1.00 1.46 C ATOM 1781 CE2 TYR A 645 16.275 4.909 -6.610 1.00 2.37 C ATOM 1782 CZ TYR A 645 17.190 5.726 -5.923 1.00 1.06 C ATOM 1783 OH TYR A 645 16.931 7.054 -5.813 1.00 1.26 O ATOM 0 H TYR A 645 17.556 1.419 -9.278 1.00 0.95 H new ATOM 0 HA TYR A 645 19.915 1.618 -7.515 1.00 0.93 H new ATOM 0 HB2 TYR A 645 17.068 0.991 -6.643 1.00 0.93 H new ATOM 0 HB3 TYR A 645 18.478 1.097 -5.608 1.00 0.93 H new ATOM 0 HD1 TYR A 645 19.541 3.363 -5.147 1.00 1.44 H new ATOM 0 HD2 TYR A 645 15.856 2.920 -7.329 1.00 2.30 H new ATOM 0 HE1 TYR A 645 19.066 5.791 -4.847 1.00 1.46 H new ATOM 0 HE2 TYR A 645 15.360 5.330 -6.999 1.00 2.37 H new ATOM 0 HH TYR A 645 16.213 7.300 -6.433 1.00 1.26 H new ATOM 1793 N PRO A 646 20.133 -0.739 -8.721 1.00 1.06 N ATOM 1794 CA PRO A 646 20.381 -2.154 -9.016 1.00 1.17 C ATOM 1795 C PRO A 646 20.699 -3.033 -7.791 1.00 1.18 C ATOM 1796 O PRO A 646 20.450 -4.242 -7.848 1.00 1.27 O ATOM 1797 CB PRO A 646 21.503 -2.171 -10.059 1.00 1.32 C ATOM 1798 CG PRO A 646 22.186 -0.814 -9.901 1.00 1.27 C ATOM 1799 CD PRO A 646 21.037 0.099 -9.492 1.00 1.11 C ATOM 0 HA PRO A 646 19.465 -2.610 -9.391 1.00 1.17 H new ATOM 0 HB2 PRO A 646 22.200 -2.990 -9.880 1.00 1.32 H new ATOM 0 HB3 PRO A 646 21.108 -2.303 -11.066 1.00 1.32 H new ATOM 0 HG2 PRO A 646 22.969 -0.842 -9.144 1.00 1.27 H new ATOM 0 HG3 PRO A 646 22.652 -0.486 -10.830 1.00 1.27 H new ATOM 0 HD2 PRO A 646 21.396 0.940 -8.898 1.00 1.11 H new ATOM 0 HD3 PRO A 646 20.537 0.516 -10.366 1.00 1.11 H new ATOM 1807 N MET A 647 21.150 -2.465 -6.661 1.00 1.16 N ATOM 1808 CA MET A 647 21.250 -3.186 -5.382 1.00 1.23 C ATOM 1809 C MET A 647 19.865 -3.617 -4.878 1.00 1.17 C ATOM 1810 O MET A 647 19.656 -4.769 -4.501 1.00 1.26 O ATOM 1811 CB MET A 647 21.920 -2.274 -4.342 1.00 1.34 C ATOM 1812 CG MET A 647 22.009 -2.917 -2.952 1.00 1.52 C ATOM 1813 SD MET A 647 22.382 -1.749 -1.624 1.00 1.42 S ATOM 1814 CE MET A 647 20.734 -1.019 -1.432 1.00 1.16 C ATOM 0 H MET A 647 21.455 -1.493 -6.608 1.00 1.16 H new ATOM 0 HA MET A 647 21.848 -4.085 -5.534 1.00 1.23 H new ATOM 0 HB2 MET A 647 22.923 -2.018 -4.683 1.00 1.34 H new ATOM 0 HB3 MET A 647 21.360 -1.341 -4.270 1.00 1.34 H new ATOM 0 HG2 MET A 647 21.064 -3.413 -2.731 1.00 1.52 H new ATOM 0 HG3 MET A 647 22.778 -3.690 -2.969 1.00 1.52 H new ATOM 0 HE1 MET A 647 20.651 -0.561 -0.446 1.00 1.16 H new ATOM 0 HE2 MET A 647 20.581 -0.260 -2.199 1.00 1.16 H new ATOM 0 HE3 MET A 647 19.977 -1.797 -1.535 1.00 1.16 H new ATOM 1824 N MET A 648 18.894 -2.702 -4.897 1.00 1.05 N ATOM 1825 CA MET A 648 17.516 -3.012 -4.515 1.00 1.00 C ATOM 1826 C MET A 648 16.855 -3.928 -5.554 1.00 1.09 C ATOM 1827 O MET A 648 16.093 -4.813 -5.179 1.00 1.15 O ATOM 1828 CB MET A 648 16.730 -1.709 -4.299 1.00 0.92 C ATOM 1829 CG MET A 648 17.150 -0.922 -3.048 1.00 0.97 C ATOM 1830 SD MET A 648 16.224 -1.256 -1.518 1.00 1.34 S ATOM 1831 CE MET A 648 16.687 -2.967 -1.137 1.00 1.60 C ATOM 0 H MET A 648 19.039 -1.732 -5.176 1.00 1.05 H new ATOM 0 HA MET A 648 17.516 -3.559 -3.572 1.00 1.00 H new ATOM 0 HB2 MET A 648 16.856 -1.072 -5.175 1.00 0.92 H new ATOM 0 HB3 MET A 648 15.668 -1.946 -4.227 1.00 0.92 H new ATOM 0 HG2 MET A 648 18.204 -1.124 -2.858 1.00 0.97 H new ATOM 0 HG3 MET A 648 17.065 0.141 -3.271 1.00 0.97 H new ATOM 0 HE1 MET A 648 16.460 -3.182 -0.093 1.00 1.60 H new ATOM 0 HE2 MET A 648 16.126 -3.647 -1.778 1.00 1.60 H new ATOM 0 HE3 MET A 648 17.754 -3.102 -1.311 1.00 1.60 H new ATOM 1841 N ARG A 649 17.213 -3.807 -6.843 1.00 1.18 N ATOM 1842 CA ARG A 649 16.736 -4.709 -7.907 1.00 1.36 C ATOM 1843 C ARG A 649 17.054 -6.172 -7.585 1.00 1.47 C ATOM 1844 O ARG A 649 16.120 -6.979 -7.546 1.00 1.57 O ATOM 1845 CB ARG A 649 17.287 -4.251 -9.272 1.00 1.48 C ATOM 1846 CG ARG A 649 16.459 -4.705 -10.483 1.00 1.76 C ATOM 1847 CD ARG A 649 16.634 -6.174 -10.897 1.00 1.83 C ATOM 1848 NE ARG A 649 15.727 -6.488 -12.014 1.00 2.42 N ATOM 1849 CZ ARG A 649 15.534 -7.669 -12.562 1.00 3.00 C ATOM 1850 NH1 ARG A 649 16.247 -8.710 -12.260 1.00 3.34 N ATOM 1851 NH2 ARG A 649 14.601 -7.853 -13.447 1.00 4.08 N ATOM 0 H ARG A 649 17.843 -3.079 -7.179 1.00 1.18 H new ATOM 0 HA ARG A 649 15.649 -4.652 -7.964 1.00 1.36 H new ATOM 0 HB2 ARG A 649 17.347 -3.163 -9.278 1.00 1.48 H new ATOM 0 HB3 ARG A 649 18.304 -4.627 -9.383 1.00 1.48 H new ATOM 0 HG2 ARG A 649 15.405 -4.531 -10.265 1.00 1.76 H new ATOM 0 HG3 ARG A 649 16.717 -4.074 -11.333 1.00 1.76 H new ATOM 0 HD2 ARG A 649 17.667 -6.358 -11.192 1.00 1.83 H new ATOM 0 HD3 ARG A 649 16.423 -6.828 -10.051 1.00 1.83 H new ATOM 0 HE ARG A 649 15.194 -5.710 -12.403 1.00 2.42 H new ATOM 0 HH11 ARG A 649 16.995 -8.633 -11.571 1.00 3.34 H new ATOM 0 HH12 ARG A 649 16.060 -9.605 -12.712 1.00 3.34 H new ATOM 0 HH21 ARG A 649 14.004 -7.075 -13.728 1.00 4.08 H new ATOM 0 HH22 ARG A 649 14.466 -8.775 -13.861 1.00 4.08 H new ATOM 1865 N ARG A 650 18.321 -6.500 -7.270 1.00 1.48 N ATOM 1866 CA ARG A 650 18.734 -7.878 -6.907 1.00 1.60 C ATOM 1867 C ARG A 650 18.014 -8.409 -5.664 1.00 1.60 C ATOM 1868 O ARG A 650 17.574 -9.555 -5.647 1.00 1.79 O ATOM 1869 CB ARG A 650 20.256 -8.075 -6.809 1.00 1.63 C ATOM 1870 CG ARG A 650 20.989 -7.211 -5.781 1.00 2.11 C ATOM 1871 CD ARG A 650 22.413 -7.722 -5.560 1.00 2.25 C ATOM 1872 NE ARG A 650 23.123 -6.891 -4.575 1.00 3.19 N ATOM 1873 CZ ARG A 650 24.038 -5.971 -4.803 1.00 4.56 C ATOM 1874 NH1 ARG A 650 24.427 -5.632 -5.996 1.00 5.52 N ATOM 1875 NH2 ARG A 650 24.579 -5.372 -3.789 1.00 5.70 N ATOM 0 H ARG A 650 19.086 -5.826 -7.258 1.00 1.48 H new ATOM 0 HA ARG A 650 18.411 -8.486 -7.752 1.00 1.60 H new ATOM 0 HB2 ARG A 650 20.451 -9.122 -6.576 1.00 1.63 H new ATOM 0 HB3 ARG A 650 20.690 -7.881 -7.790 1.00 1.63 H new ATOM 0 HG2 ARG A 650 21.018 -6.176 -6.123 1.00 2.11 H new ATOM 0 HG3 ARG A 650 20.444 -7.220 -4.837 1.00 2.11 H new ATOM 0 HD2 ARG A 650 22.383 -8.756 -5.215 1.00 2.25 H new ATOM 0 HD3 ARG A 650 22.956 -7.717 -6.505 1.00 2.25 H new ATOM 0 HE ARG A 650 22.877 -7.046 -3.597 1.00 3.19 H new ATOM 0 HH11 ARG A 650 24.019 -6.086 -6.814 1.00 5.52 H new ATOM 0 HH12 ARG A 650 25.140 -4.912 -6.115 1.00 5.52 H new ATOM 0 HH21 ARG A 650 24.294 -5.617 -2.841 1.00 5.70 H new ATOM 0 HH22 ARG A 650 25.290 -4.656 -3.939 1.00 5.70 H new ATOM 1889 N ALA A 651 17.832 -7.553 -4.660 1.00 1.45 N ATOM 1890 CA ALA A 651 17.133 -7.872 -3.418 1.00 1.50 C ATOM 1891 C ALA A 651 15.687 -8.370 -3.626 1.00 1.62 C ATOM 1892 O ALA A 651 15.215 -9.168 -2.816 1.00 1.82 O ATOM 1893 CB ALA A 651 17.147 -6.625 -2.525 1.00 1.38 C ATOM 0 H ALA A 651 18.176 -6.593 -4.689 1.00 1.45 H new ATOM 0 HA ALA A 651 17.659 -8.702 -2.946 1.00 1.50 H new ATOM 0 HB1 ALA A 651 16.629 -6.841 -1.590 1.00 1.38 H new ATOM 0 HB2 ALA A 651 18.178 -6.342 -2.312 1.00 1.38 H new ATOM 0 HB3 ALA A 651 16.644 -5.805 -3.037 1.00 1.38 H new ATOM 1899 N PHE A 652 15.000 -7.925 -4.687 1.00 1.54 N ATOM 1900 CA PHE A 652 13.635 -8.347 -5.033 1.00 1.64 C ATOM 1901 C PHE A 652 13.547 -9.538 -6.004 1.00 1.91 C ATOM 1902 O PHE A 652 12.717 -10.420 -5.794 1.00 2.05 O ATOM 1903 CB PHE A 652 12.878 -7.151 -5.616 1.00 1.47 C ATOM 1904 CG PHE A 652 12.517 -6.059 -4.629 1.00 1.38 C ATOM 1905 CD1 PHE A 652 11.647 -6.322 -3.556 1.00 1.53 C ATOM 1906 CD2 PHE A 652 13.019 -4.762 -4.819 1.00 2.54 C ATOM 1907 CE1 PHE A 652 11.282 -5.286 -2.677 1.00 1.51 C ATOM 1908 CE2 PHE A 652 12.659 -3.725 -3.942 1.00 2.64 C ATOM 1909 CZ PHE A 652 11.781 -3.985 -2.873 1.00 1.54 C ATOM 0 H PHE A 652 15.386 -7.246 -5.343 1.00 1.54 H new ATOM 0 HA PHE A 652 13.185 -8.699 -4.105 1.00 1.64 H new ATOM 0 HB2 PHE A 652 13.483 -6.713 -6.410 1.00 1.47 H new ATOM 0 HB3 PHE A 652 11.961 -7.515 -6.079 1.00 1.47 H new ATOM 0 HD1 PHE A 652 11.259 -7.319 -3.407 1.00 1.53 H new ATOM 0 HD2 PHE A 652 13.686 -4.560 -5.644 1.00 2.54 H new ATOM 0 HE1 PHE A 652 10.618 -5.490 -1.850 1.00 1.51 H new ATOM 0 HE2 PHE A 652 13.055 -2.731 -4.088 1.00 2.64 H new ATOM 0 HZ PHE A 652 11.491 -3.188 -2.205 1.00 1.54 H new ATOM 1919 N GLU A 653 14.395 -9.624 -7.037 1.00 2.06 N ATOM 1920 CA GLU A 653 14.344 -10.754 -7.998 1.00 2.40 C ATOM 1921 C GLU A 653 14.582 -12.112 -7.314 1.00 2.61 C ATOM 1922 O GLU A 653 14.004 -13.123 -7.718 1.00 2.85 O ATOM 1923 CB GLU A 653 15.329 -10.581 -9.176 1.00 2.53 C ATOM 1924 CG GLU A 653 16.729 -10.235 -8.677 1.00 1.99 C ATOM 1925 CD GLU A 653 17.835 -10.251 -9.737 1.00 3.53 C ATOM 1926 OE1 GLU A 653 18.462 -11.317 -9.962 1.00 4.57 O ATOM 1927 OE2 GLU A 653 18.140 -9.181 -10.314 1.00 4.57 O ATOM 0 H GLU A 653 15.121 -8.936 -7.235 1.00 2.06 H new ATOM 0 HA GLU A 653 13.332 -10.743 -8.402 1.00 2.40 H new ATOM 0 HB2 GLU A 653 15.365 -11.500 -9.761 1.00 2.53 H new ATOM 0 HB3 GLU A 653 14.972 -9.794 -9.840 1.00 2.53 H new ATOM 0 HG2 GLU A 653 16.699 -9.244 -8.225 1.00 1.99 H new ATOM 0 HG3 GLU A 653 16.997 -10.937 -7.888 1.00 1.99 H new ATOM 1934 N THR A 654 15.400 -12.108 -6.252 1.00 2.58 N ATOM 1935 CA THR A 654 15.894 -13.295 -5.541 1.00 2.88 C ATOM 1936 C THR A 654 14.858 -13.851 -4.569 1.00 2.92 C ATOM 1937 O THR A 654 14.605 -15.052 -4.527 1.00 3.40 O ATOM 1938 CB THR A 654 17.234 -12.964 -4.863 1.00 2.93 C ATOM 1939 OG1 THR A 654 17.868 -14.137 -4.401 1.00 3.36 O ATOM 1940 CG2 THR A 654 17.086 -12.000 -3.686 1.00 2.62 C ATOM 0 H THR A 654 15.750 -11.240 -5.848 1.00 2.58 H new ATOM 0 HA THR A 654 16.069 -14.094 -6.262 1.00 2.88 H new ATOM 0 HB THR A 654 17.839 -12.479 -5.629 1.00 2.93 H new ATOM 0 HG1 THR A 654 18.719 -13.903 -3.975 1.00 3.36 H new ATOM 0 HG21 THR A 654 18.066 -11.805 -3.250 1.00 2.62 H new ATOM 0 HG22 THR A 654 16.652 -11.063 -4.035 1.00 2.62 H new ATOM 0 HG23 THR A 654 16.435 -12.443 -2.933 1.00 2.62 H new ATOM 1948 N VAL A 655 14.157 -12.969 -3.853 1.00 2.52 N ATOM 1949 CA VAL A 655 13.011 -13.335 -3.014 1.00 2.63 C ATOM 1950 C VAL A 655 11.842 -13.795 -3.878 1.00 2.77 C ATOM 1951 O VAL A 655 11.246 -14.827 -3.594 1.00 3.07 O ATOM 1952 CB VAL A 655 12.647 -12.186 -2.056 1.00 2.45 C ATOM 1953 CG1 VAL A 655 12.368 -10.871 -2.770 1.00 2.16 C ATOM 1954 CG2 VAL A 655 11.488 -12.549 -1.121 1.00 2.67 C ATOM 0 H VAL A 655 14.370 -11.972 -3.838 1.00 2.52 H new ATOM 0 HA VAL A 655 13.282 -14.182 -2.384 1.00 2.63 H new ATOM 0 HB VAL A 655 13.538 -12.035 -1.446 1.00 2.45 H new ATOM 0 HG11 VAL A 655 12.118 -10.105 -2.036 1.00 2.16 H new ATOM 0 HG12 VAL A 655 13.253 -10.565 -3.327 1.00 2.16 H new ATOM 0 HG13 VAL A 655 11.533 -11.001 -3.458 1.00 2.16 H new ATOM 0 HG21 VAL A 655 11.271 -11.705 -0.466 1.00 2.67 H new ATOM 0 HG22 VAL A 655 10.604 -12.786 -1.713 1.00 2.67 H new ATOM 0 HG23 VAL A 655 11.764 -13.414 -0.518 1.00 2.67 H new