USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 625 THR OG1 : rot 59:sc= 0.044 USER MOD Set 1.2: A 636 GLN : amide:sc= -0.143 X(o=-0.099,f=-0.46) USER MOD Single : A 563 ASN : amide:sc= -3.22 K(o=-3.2,f=-4.2!) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 SER OG : rot 44:sc= 0.0227 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 8.9e-05 USER MOD Single : A 573 GLN : amide:sc= -0.0799 K(o=-0.08,f=-0.76) USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HE2:sc= 0.03 K(o=0.03,f=-0.6) USER MOD Single : A 597 THR OG1 : rot -82:sc= 1.5 USER MOD Single : A 604 LYS NZ :NH3+ -107:sc= 1.26 (180deg=-0.148) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 613 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.38) USER MOD Single : A 615 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 167:sc= 1.96 (180deg=1.76) USER MOD Single : A 624 LYS NZ :NH3+ 168:sc= -0.0012 (180deg=-0.0845) USER MOD Single : A 628 HIS : no HD1:sc=-0.00937 X(o=-0.0094,f=0) USER MOD Single : A 629 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 631 SER OG : rot 61:sc= 1.25 USER MOD Single : A 635 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 644 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 654 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.9!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -0.0678 K(o=-0.068,f=-1.2) USER MOD Single : A 660 GLN : amide:sc=-0.00927 K(o=-0.0093,f=-2.2!) USER MOD Single : A 661 GLN : amide:sc= -0.356 K(o=-0.36,f=-3.4!) USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 664 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.32) USER MOD Single : A 665 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 -22.573 53.623 10.914 1.00 1.53 N ATOM 2 CA PRO A 561 -21.235 53.026 10.915 1.00 41.11 C ATOM 3 C PRO A 561 -21.080 51.951 11.986 1.00 3.45 C ATOM 4 O PRO A 561 -21.749 51.988 13.018 1.00 41.54 O ATOM 5 CB PRO A 561 -20.317 54.213 11.213 1.00 41.44 C ATOM 6 CG PRO A 561 -21.177 55.181 11.952 1.00 72.24 C ATOM 7 CD PRO A 561 -22.561 55.016 11.390 1.00 12.33 C ATOM 0 HA PRO A 561 -21.013 52.523 9.974 1.00 41.11 H new ATOM 0 HB2 PRO A 561 -19.458 53.909 11.812 1.00 41.44 H new ATOM 0 HB3 PRO A 561 -19.926 54.651 10.295 1.00 41.44 H new ATOM 0 HG2 PRO A 561 -21.163 54.977 13.023 1.00 72.24 H new ATOM 0 HG3 PRO A 561 -20.820 56.202 11.818 1.00 72.24 H new ATOM 0 HD2 PRO A 561 -23.325 55.188 12.148 1.00 12.33 H new ATOM 0 HD3 PRO A 561 -22.752 55.719 10.579 1.00 12.33 H new ATOM 12 N VAL A 562 -20.194 50.993 11.734 1.00 35.35 N ATOM 13 CA VAL A 562 -19.950 49.908 12.676 1.00 1.52 C ATOM 14 C VAL A 562 -18.563 50.022 13.298 1.00 1.32 C ATOM 15 O VAL A 562 -18.335 49.568 14.418 1.00 63.14 O ATOM 16 CB VAL A 562 -20.086 48.532 11.997 1.00 55.04 C ATOM 17 CG1 VAL A 562 -21.547 48.219 11.712 1.00 71.34 C ATOM 18 CG2 VAL A 562 -19.263 48.487 10.718 1.00 55.42 C ATOM 0 H VAL A 562 -19.632 50.947 10.884 1.00 35.35 H new ATOM 0 HA VAL A 562 -20.704 49.993 13.459 1.00 1.52 H new ATOM 0 HB VAL A 562 -19.703 47.771 12.676 1.00 55.04 H new ATOM 0 HG11 VAL A 562 -21.623 47.243 11.232 1.00 71.34 H new ATOM 0 HG12 VAL A 562 -22.106 48.208 12.648 1.00 71.34 H new ATOM 0 HG13 VAL A 562 -21.960 48.981 11.051 1.00 71.34 H new ATOM 0 HG21 VAL A 562 -19.370 47.508 10.251 1.00 55.42 H new ATOM 0 HG22 VAL A 562 -19.615 49.257 10.032 1.00 55.42 H new ATOM 0 HG23 VAL A 562 -18.214 48.663 10.954 1.00 55.42 H new ATOM 28 N ASN A 563 -17.640 50.631 12.562 1.00 73.24 N ATOM 29 CA ASN A 563 -16.273 50.804 13.042 1.00 54.04 C ATOM 30 C ASN A 563 -15.784 49.549 13.758 1.00 41.35 C ATOM 31 O ASN A 563 -15.116 49.631 14.789 1.00 13.41 O ATOM 32 CB ASN A 563 -16.190 52.008 13.983 1.00 64.15 C ATOM 33 CG ASN A 563 -17.079 51.852 15.201 1.00 4.31 C ATOM 34 OD1 ASN A 563 -18.285 52.098 15.138 1.00 75.25 O ATOM 35 ND2 ASN A 563 -16.489 51.441 16.317 1.00 52.12 N ATOM 0 H ASN A 563 -17.813 51.013 11.632 1.00 73.24 H new ATOM 0 HA ASN A 563 -15.631 50.981 12.179 1.00 54.04 H new ATOM 0 HB2 ASN A 563 -15.158 52.143 14.305 1.00 64.15 H new ATOM 0 HB3 ASN A 563 -16.476 52.910 13.441 1.00 64.15 H new ATOM 0 HD21 ASN A 563 -17.037 51.317 17.168 1.00 52.12 H new ATOM 0 HD22 ASN A 563 -15.487 51.249 16.323 1.00 52.12 H new ATOM 41 N GLN A 564 -16.121 48.389 13.204 1.00 11.20 N ATOM 42 CA GLN A 564 -15.717 47.117 13.790 1.00 44.13 C ATOM 43 C GLN A 564 -14.451 46.588 13.124 1.00 15.13 C ATOM 44 O GLN A 564 -14.459 46.233 11.945 1.00 0.01 O ATOM 45 CB GLN A 564 -16.844 46.090 13.659 1.00 75.34 C ATOM 46 CG GLN A 564 -17.921 46.231 14.721 1.00 4.34 C ATOM 47 CD GLN A 564 -18.842 45.027 14.781 1.00 60.15 C ATOM 48 OE1 GLN A 564 -18.981 44.288 13.807 1.00 30.41 O ATOM 49 NE2 GLN A 564 -19.476 44.824 15.930 1.00 51.34 N ATOM 0 H GLN A 564 -16.673 48.304 12.350 1.00 11.20 H new ATOM 0 HA GLN A 564 -15.507 47.283 14.847 1.00 44.13 H new ATOM 0 HB2 GLN A 564 -17.301 46.188 12.674 1.00 75.34 H new ATOM 0 HB3 GLN A 564 -16.419 45.088 13.715 1.00 75.34 H new ATOM 0 HG2 GLN A 564 -17.450 46.373 15.694 1.00 4.34 H new ATOM 0 HG3 GLN A 564 -18.511 47.125 14.519 1.00 4.34 H new ATOM 0 HE21 GLN A 564 -19.331 45.462 16.712 1.00 51.34 H new ATOM 0 HE22 GLN A 564 -20.108 44.030 16.030 1.00 51.34 H new ATOM 56 N LYS A 565 -13.363 46.541 13.886 1.00 51.42 N ATOM 57 CA LYS A 565 -12.088 46.055 13.370 1.00 44.52 C ATOM 58 C LYS A 565 -11.791 44.653 13.890 1.00 22.34 C ATOM 59 O LYS A 565 -11.469 44.469 15.063 1.00 53.21 O ATOM 60 CB LYS A 565 -10.959 47.008 13.769 1.00 35.42 C ATOM 61 CG LYS A 565 -9.607 46.620 13.195 1.00 22.51 C ATOM 62 CD LYS A 565 -9.371 47.261 11.838 1.00 52.40 C ATOM 63 CE LYS A 565 -9.775 46.331 10.704 1.00 41.41 C ATOM 64 NZ LYS A 565 -10.193 47.084 9.490 1.00 34.43 N ATOM 0 H LYS A 565 -13.339 46.833 14.863 1.00 51.42 H new ATOM 0 HA LYS A 565 -12.155 46.014 12.283 1.00 44.52 H new ATOM 0 HB2 LYS A 565 -11.210 48.015 13.437 1.00 35.42 H new ATOM 0 HB3 LYS A 565 -10.888 47.039 14.856 1.00 35.42 H new ATOM 0 HG2 LYS A 565 -8.818 46.923 13.883 1.00 22.51 H new ATOM 0 HG3 LYS A 565 -9.549 45.536 13.101 1.00 22.51 H new ATOM 0 HD2 LYS A 565 -9.939 48.189 11.769 1.00 52.40 H new ATOM 0 HD3 LYS A 565 -8.318 47.524 11.737 1.00 52.40 H new ATOM 0 HE2 LYS A 565 -8.939 45.677 10.456 1.00 41.41 H new ATOM 0 HE3 LYS A 565 -10.593 45.691 11.034 1.00 41.41 H new ATOM 0 HZ1 LYS A 565 -10.460 46.414 8.741 1.00 34.43 H new ATOM 0 HZ2 LYS A 565 -11.007 47.689 9.720 1.00 34.43 H new ATOM 0 HZ3 LYS A 565 -9.404 47.676 9.160 1.00 34.43 H new ATOM 74 N SER A 566 -11.900 43.665 13.007 1.00 60.52 N ATOM 75 CA SER A 566 -11.645 42.277 13.377 1.00 1.02 C ATOM 76 C SER A 566 -10.243 41.850 12.951 1.00 1.42 C ATOM 77 O SER A 566 -9.926 41.813 11.762 1.00 14.14 O ATOM 78 CB SER A 566 -12.686 41.357 12.738 1.00 32.15 C ATOM 79 OG SER A 566 -12.966 41.750 11.405 1.00 74.13 O ATOM 0 H SER A 566 -12.163 43.800 12.031 1.00 60.52 H new ATOM 0 HA SER A 566 -11.717 42.197 14.462 1.00 1.02 H new ATOM 0 HB2 SER A 566 -12.323 40.329 12.749 1.00 32.15 H new ATOM 0 HB3 SER A 566 -13.603 41.377 13.326 1.00 32.15 H new ATOM 0 HG SER A 566 -12.128 41.958 10.942 1.00 74.13 H new ATOM 84 N LYS A 567 -9.406 41.528 13.932 1.00 15.32 N ATOM 85 CA LYS A 567 -8.038 41.103 13.661 1.00 53.15 C ATOM 86 C LYS A 567 -7.754 39.748 14.303 1.00 32.32 C ATOM 87 O LYS A 567 -7.224 39.675 15.411 1.00 63.31 O ATOM 88 CB LYS A 567 -7.046 42.144 14.183 1.00 53.32 C ATOM 89 CG LYS A 567 -5.721 42.149 13.440 1.00 11.42 C ATOM 90 CD LYS A 567 -4.801 43.247 13.947 1.00 23.22 C ATOM 91 CE LYS A 567 -3.337 42.875 13.765 1.00 1.53 C ATOM 92 NZ LYS A 567 -2.961 42.788 12.327 1.00 40.30 N ATOM 0 H LYS A 567 -9.651 41.553 14.922 1.00 15.32 H new ATOM 0 HA LYS A 567 -7.920 41.007 12.582 1.00 53.15 H new ATOM 0 HB2 LYS A 567 -7.498 43.133 14.109 1.00 53.32 H new ATOM 0 HB3 LYS A 567 -6.859 41.957 15.240 1.00 53.32 H new ATOM 0 HG2 LYS A 567 -5.233 41.181 13.558 1.00 11.42 H new ATOM 0 HG3 LYS A 567 -5.901 42.288 12.374 1.00 11.42 H new ATOM 0 HD2 LYS A 567 -5.011 44.174 13.414 1.00 23.22 H new ATOM 0 HD3 LYS A 567 -5.002 43.433 15.002 1.00 23.22 H new ATOM 0 HE2 LYS A 567 -2.710 43.616 14.260 1.00 1.53 H new ATOM 0 HE3 LYS A 567 -3.143 41.918 14.250 1.00 1.53 H new ATOM 0 HZ1 LYS A 567 -1.956 42.532 12.246 1.00 40.30 H new ATOM 0 HZ2 LYS A 567 -3.542 42.063 11.860 1.00 40.30 H new ATOM 0 HZ3 LYS A 567 -3.122 43.708 11.870 1.00 40.30 H new ATOM 102 N ARG A 568 -8.107 38.679 13.597 1.00 44.13 N ATOM 103 CA ARG A 568 -7.889 37.327 14.097 1.00 3.21 C ATOM 104 C ARG A 568 -7.452 36.395 12.972 1.00 23.53 C ATOM 105 O ARG A 568 -7.273 36.823 11.832 1.00 0.34 O ATOM 106 CB ARG A 568 -9.163 36.791 14.752 1.00 41.21 C ATOM 107 CG ARG A 568 -10.403 36.941 13.885 1.00 44.03 C ATOM 108 CD ARG A 568 -11.664 36.562 14.646 1.00 25.14 C ATOM 109 NE ARG A 568 -11.878 37.416 15.810 1.00 64.14 N ATOM 110 CZ ARG A 568 -12.783 37.164 16.750 1.00 4.13 C ATOM 111 NH1 ARG A 568 -13.553 36.088 16.661 1.00 42.53 N ATOM 112 NH2 ARG A 568 -12.918 37.988 17.781 1.00 52.20 N ATOM 0 H ARG A 568 -8.545 38.723 12.677 1.00 44.13 H new ATOM 0 HA ARG A 568 -7.094 37.366 14.842 1.00 3.21 H new ATOM 0 HB2 ARG A 568 -9.023 35.737 14.991 1.00 41.21 H new ATOM 0 HB3 ARG A 568 -9.324 37.313 15.695 1.00 41.21 H new ATOM 0 HG2 ARG A 568 -10.482 37.971 13.537 1.00 44.03 H new ATOM 0 HG3 ARG A 568 -10.308 36.312 13.000 1.00 44.03 H new ATOM 0 HD2 ARG A 568 -12.524 36.634 13.981 1.00 25.14 H new ATOM 0 HD3 ARG A 568 -11.595 35.523 14.967 1.00 25.14 H new ATOM 0 HE ARG A 568 -11.302 38.252 15.907 1.00 64.14 H new ATOM 0 HH11 ARG A 568 -13.451 35.452 15.870 1.00 42.53 H new ATOM 0 HH12 ARG A 568 -14.247 35.896 17.384 1.00 42.53 H new ATOM 0 HH21 ARG A 568 -12.327 38.816 17.853 1.00 52.20 H new ATOM 0 HH22 ARG A 568 -13.613 37.793 18.502 1.00 52.20 H new ATOM 123 N SER A 569 -7.280 35.118 13.300 1.00 14.51 N ATOM 124 CA SER A 569 -6.859 34.126 12.318 1.00 44.53 C ATOM 125 C SER A 569 -8.065 33.524 11.603 1.00 12.31 C ATOM 126 O SER A 569 -9.093 33.251 12.221 1.00 51.40 O ATOM 127 CB SER A 569 -6.049 33.019 12.996 1.00 1.12 C ATOM 128 OG SER A 569 -6.119 31.811 12.258 1.00 13.32 O ATOM 0 H SER A 569 -7.426 34.746 14.239 1.00 14.51 H new ATOM 0 HA SER A 569 -6.232 34.625 11.579 1.00 44.53 H new ATOM 0 HB2 SER A 569 -5.009 33.331 13.091 1.00 1.12 H new ATOM 0 HB3 SER A 569 -6.426 32.855 14.005 1.00 1.12 H new ATOM 0 HG SER A 569 -5.592 31.120 12.711 1.00 13.32 H new ATOM 133 N GLU A 570 -7.929 33.320 10.296 1.00 53.13 N ATOM 134 CA GLU A 570 -9.007 32.751 9.497 1.00 54.41 C ATOM 135 C GLU A 570 -8.544 31.487 8.780 1.00 3.43 C ATOM 136 O GLU A 570 -8.834 31.287 7.599 1.00 13.52 O ATOM 137 CB GLU A 570 -9.510 33.775 8.476 1.00 23.10 C ATOM 138 CG GLU A 570 -8.450 34.208 7.477 1.00 34.43 C ATOM 139 CD GLU A 570 -7.619 35.375 7.976 1.00 5.50 C ATOM 140 OE1 GLU A 570 -8.212 36.417 8.325 1.00 71.51 O ATOM 141 OE2 GLU A 570 -6.379 35.245 8.018 1.00 32.40 O ATOM 0 H GLU A 570 -7.084 33.540 9.769 1.00 53.13 H new ATOM 0 HA GLU A 570 -9.823 32.488 10.170 1.00 54.41 H new ATOM 0 HB2 GLU A 570 -10.356 33.351 7.935 1.00 23.10 H new ATOM 0 HB3 GLU A 570 -9.879 34.653 9.006 1.00 23.10 H new ATOM 0 HG2 GLU A 570 -7.793 33.365 7.262 1.00 34.43 H new ATOM 0 HG3 GLU A 570 -8.932 34.485 6.539 1.00 34.43 H new ATOM 146 N LEU A 571 -7.823 30.636 9.501 1.00 21.15 N ATOM 147 CA LEU A 571 -7.319 29.390 8.935 1.00 22.41 C ATOM 148 C LEU A 571 -7.921 28.184 9.648 1.00 24.10 C ATOM 149 O LEU A 571 -7.991 28.147 10.877 1.00 33.13 O ATOM 150 CB LEU A 571 -5.792 29.343 9.032 1.00 15.54 C ATOM 151 CG LEU A 571 -5.034 30.361 8.178 1.00 11.55 C ATOM 152 CD1 LEU A 571 -3.668 30.649 8.780 1.00 35.53 C ATOM 153 CD2 LEU A 571 -4.895 29.860 6.748 1.00 5.21 C ATOM 0 H LEU A 571 -7.574 30.786 10.479 1.00 21.15 H new ATOM 0 HA LEU A 571 -7.613 29.353 7.886 1.00 22.41 H new ATOM 0 HB2 LEU A 571 -5.509 29.491 10.074 1.00 15.54 H new ATOM 0 HB3 LEU A 571 -5.460 28.344 8.750 1.00 15.54 H new ATOM 0 HG LEU A 571 -5.604 31.290 8.161 1.00 11.55 H new ATOM 0 HD11 LEU A 571 -3.143 31.375 8.160 1.00 35.53 H new ATOM 0 HD12 LEU A 571 -3.791 31.052 9.785 1.00 35.53 H new ATOM 0 HD13 LEU A 571 -3.089 29.726 8.827 1.00 35.53 H new ATOM 0 HD21 LEU A 571 -4.353 30.597 6.155 1.00 5.21 H new ATOM 0 HD22 LEU A 571 -4.347 28.918 6.744 1.00 5.21 H new ATOM 0 HD23 LEU A 571 -5.885 29.706 6.319 1.00 5.21 H new ATOM 164 N SER A 572 -8.354 27.198 8.869 1.00 63.41 N ATOM 165 CA SER A 572 -8.952 25.989 9.426 1.00 53.43 C ATOM 166 C SER A 572 -7.877 25.035 9.935 1.00 41.23 C ATOM 167 O SER A 572 -6.715 25.125 9.539 1.00 53.12 O ATOM 168 CB SER A 572 -9.815 25.290 8.373 1.00 65.55 C ATOM 169 OG SER A 572 -9.079 25.057 7.185 1.00 71.25 O ATOM 0 H SER A 572 -8.302 27.212 7.850 1.00 63.41 H new ATOM 0 HA SER A 572 -9.582 26.279 10.267 1.00 53.43 H new ATOM 0 HB2 SER A 572 -10.182 24.343 8.769 1.00 65.55 H new ATOM 0 HB3 SER A 572 -10.689 25.902 8.149 1.00 65.55 H new ATOM 0 HG SER A 572 -9.651 24.608 6.528 1.00 71.25 H new ATOM 174 N GLN A 573 -8.273 24.122 10.817 1.00 34.10 N ATOM 175 CA GLN A 573 -7.343 23.152 11.382 1.00 13.44 C ATOM 176 C GLN A 573 -6.810 22.217 10.301 1.00 3.35 C ATOM 177 O GLN A 573 -7.526 21.336 9.821 1.00 74.50 O ATOM 178 CB GLN A 573 -8.026 22.341 12.483 1.00 42.33 C ATOM 179 CG GLN A 573 -8.522 23.189 13.644 1.00 61.42 C ATOM 180 CD GLN A 573 -7.454 23.419 14.696 1.00 32.34 C ATOM 181 OE1 GLN A 573 -6.697 22.511 15.038 1.00 3.05 O ATOM 182 NE2 GLN A 573 -7.388 24.640 15.214 1.00 24.32 N ATOM 0 H GLN A 573 -9.231 24.034 11.155 1.00 34.10 H new ATOM 0 HA GLN A 573 -6.503 23.698 11.811 1.00 13.44 H new ATOM 0 HB2 GLN A 573 -8.869 21.799 12.054 1.00 42.33 H new ATOM 0 HB3 GLN A 573 -7.326 21.596 12.861 1.00 42.33 H new ATOM 0 HG2 GLN A 573 -8.867 24.151 13.265 1.00 61.42 H new ATOM 0 HG3 GLN A 573 -9.381 22.701 14.104 1.00 61.42 H new ATOM 0 HE21 GLN A 573 -8.036 25.363 14.901 1.00 24.32 H new ATOM 0 HE22 GLN A 573 -6.689 24.855 15.925 1.00 24.32 H new ATOM 189 N ARG A 574 -5.552 22.413 9.924 1.00 33.24 N ATOM 190 CA ARG A 574 -4.924 21.587 8.899 1.00 14.13 C ATOM 191 C ARG A 574 -3.552 21.103 9.356 1.00 30.31 C ATOM 192 O ARG A 574 -3.061 21.503 10.411 1.00 65.04 O ATOM 193 CB ARG A 574 -4.790 22.373 7.592 1.00 44.32 C ATOM 194 CG ARG A 574 -6.120 22.838 7.022 1.00 65.10 C ATOM 195 CD ARG A 574 -6.056 22.988 5.510 1.00 24.30 C ATOM 196 NE ARG A 574 -4.973 23.875 5.094 1.00 24.30 N ATOM 197 CZ ARG A 574 -5.035 25.199 5.176 1.00 22.13 C ATOM 198 NH1 ARG A 574 -6.122 25.786 5.656 1.00 12.34 N ATOM 199 NH2 ARG A 574 -4.007 25.938 4.776 1.00 41.45 N ATOM 0 H ARG A 574 -4.947 23.136 10.312 1.00 33.24 H new ATOM 0 HA ARG A 574 -5.559 20.717 8.729 1.00 14.13 H new ATOM 0 HB2 ARG A 574 -4.154 23.242 7.764 1.00 44.32 H new ATOM 0 HB3 ARG A 574 -4.286 21.750 6.853 1.00 44.32 H new ATOM 0 HG2 ARG A 574 -6.900 22.123 7.285 1.00 65.10 H new ATOM 0 HG3 ARG A 574 -6.397 23.791 7.472 1.00 65.10 H new ATOM 0 HD2 ARG A 574 -5.917 22.008 5.054 1.00 24.30 H new ATOM 0 HD3 ARG A 574 -7.005 23.379 5.144 1.00 24.30 H new ATOM 0 HE ARG A 574 -4.122 23.455 4.720 1.00 24.30 H new ATOM 0 HH11 ARG A 574 -6.913 25.221 5.963 1.00 12.34 H new ATOM 0 HH12 ARG A 574 -6.167 26.803 5.718 1.00 12.34 H new ATOM 0 HH21 ARG A 574 -3.169 25.489 4.406 1.00 41.45 H new ATOM 0 HH22 ARG A 574 -4.055 26.955 4.839 1.00 41.45 H new ATOM 210 N ARG A 575 -2.937 20.239 8.554 1.00 74.34 N ATOM 211 CA ARG A 575 -1.622 19.699 8.878 1.00 22.43 C ATOM 212 C ARG A 575 -0.607 20.056 7.796 1.00 34.11 C ATOM 213 O ARG A 575 -0.976 20.458 6.692 1.00 61.30 O ATOM 214 CB ARG A 575 -1.697 18.180 9.039 1.00 44.42 C ATOM 215 CG ARG A 575 -0.580 17.602 9.892 1.00 21.52 C ATOM 216 CD ARG A 575 -0.983 16.276 10.516 1.00 22.24 C ATOM 217 NE ARG A 575 -0.845 15.165 9.577 1.00 74.40 N ATOM 218 CZ ARG A 575 -1.470 14.001 9.718 1.00 34.53 C ATOM 219 NH1 ARG A 575 -2.273 13.798 10.752 1.00 41.14 N ATOM 220 NH2 ARG A 575 -1.293 13.039 8.821 1.00 41.44 N ATOM 0 H ARG A 575 -3.328 19.898 7.676 1.00 74.34 H new ATOM 0 HA ARG A 575 -1.296 20.142 9.819 1.00 22.43 H new ATOM 0 HB2 ARG A 575 -2.656 17.917 9.485 1.00 44.42 H new ATOM 0 HB3 ARG A 575 -1.666 17.717 8.053 1.00 44.42 H new ATOM 0 HG2 ARG A 575 0.311 17.461 9.280 1.00 21.52 H new ATOM 0 HG3 ARG A 575 -0.318 18.310 10.678 1.00 21.52 H new ATOM 0 HD2 ARG A 575 -0.367 16.087 11.395 1.00 22.24 H new ATOM 0 HD3 ARG A 575 -2.016 16.335 10.858 1.00 22.24 H new ATOM 0 HE ARG A 575 -0.235 15.290 8.769 1.00 74.40 H new ATOM 0 HH11 ARG A 575 -2.413 14.536 11.442 1.00 41.14 H new ATOM 0 HH12 ARG A 575 -2.752 12.904 10.858 1.00 41.14 H new ATOM 0 HH21 ARG A 575 -0.677 13.193 8.023 1.00 41.44 H new ATOM 0 HH22 ARG A 575 -1.773 12.146 8.930 1.00 41.44 H new ATOM 231 N ILE A 576 0.673 19.907 8.120 1.00 71.21 N ATOM 232 CA ILE A 576 1.741 20.212 7.176 1.00 51.24 C ATOM 233 C ILE A 576 2.186 18.963 6.426 1.00 63.50 C ATOM 234 O ILE A 576 2.174 18.927 5.195 1.00 54.31 O ATOM 235 CB ILE A 576 2.960 20.833 7.887 1.00 4.32 C ATOM 236 CG1 ILE A 576 2.544 22.089 8.654 1.00 71.14 C ATOM 237 CG2 ILE A 576 4.051 21.157 6.878 1.00 14.42 C ATOM 238 CD1 ILE A 576 2.107 21.813 10.075 1.00 62.24 C ATOM 0 H ILE A 576 0.996 19.577 9.029 1.00 71.21 H new ATOM 0 HA ILE A 576 1.338 20.934 6.466 1.00 51.24 H new ATOM 0 HB ILE A 576 3.355 20.110 8.600 1.00 4.32 H new ATOM 0 HG12 ILE A 576 3.379 22.789 8.669 1.00 71.14 H new ATOM 0 HG13 ILE A 576 1.729 22.577 8.120 1.00 71.14 H new ATOM 0 HG21 ILE A 576 4.905 21.595 7.394 1.00 14.42 H new ATOM 0 HG22 ILE A 576 4.362 20.243 6.372 1.00 14.42 H new ATOM 0 HG23 ILE A 576 3.669 21.866 6.144 1.00 14.42 H new ATOM 0 HD11 ILE A 576 1.827 22.749 10.558 1.00 62.24 H new ATOM 0 HD12 ILE A 576 1.251 21.138 10.068 1.00 62.24 H new ATOM 0 HD13 ILE A 576 2.928 21.353 10.625 1.00 62.24 H new ATOM 249 N ARG A 577 2.578 17.937 7.175 1.00 2.10 N ATOM 250 CA ARG A 577 3.026 16.683 6.580 1.00 41.45 C ATOM 251 C ARG A 577 1.859 15.934 5.945 1.00 43.43 C ATOM 252 O ARG A 577 1.000 15.396 6.646 1.00 24.35 O ATOM 253 CB ARG A 577 3.696 15.804 7.638 1.00 12.05 C ATOM 254 CG ARG A 577 4.156 14.455 7.107 1.00 14.22 C ATOM 255 CD ARG A 577 4.515 13.504 8.237 1.00 13.31 C ATOM 256 NE ARG A 577 5.728 13.919 8.936 1.00 54.04 N ATOM 257 CZ ARG A 577 6.180 13.329 10.037 1.00 54.14 C ATOM 258 NH1 ARG A 577 5.522 12.305 10.562 1.00 51.21 N ATOM 259 NH2 ARG A 577 7.292 13.764 10.616 1.00 13.42 N ATOM 0 H ARG A 577 2.594 17.949 8.195 1.00 2.10 H new ATOM 0 HA ARG A 577 3.750 16.918 5.800 1.00 41.45 H new ATOM 0 HB2 ARG A 577 4.555 16.335 8.049 1.00 12.05 H new ATOM 0 HB3 ARG A 577 2.998 15.643 8.459 1.00 12.05 H new ATOM 0 HG2 ARG A 577 3.367 14.015 6.497 1.00 14.22 H new ATOM 0 HG3 ARG A 577 5.021 14.594 6.458 1.00 14.22 H new ATOM 0 HD2 ARG A 577 3.688 13.453 8.945 1.00 13.31 H new ATOM 0 HD3 ARG A 577 4.653 12.500 7.836 1.00 13.31 H new ATOM 0 HE ARG A 577 6.257 14.705 8.558 1.00 54.04 H new ATOM 0 HH11 ARG A 577 4.666 11.968 10.120 1.00 51.21 H new ATOM 0 HH12 ARG A 577 5.871 11.854 11.407 1.00 51.21 H new ATOM 0 HH21 ARG A 577 7.801 14.552 10.216 1.00 13.42 H new ATOM 0 HH22 ARG A 577 7.638 13.310 11.461 1.00 13.42 H new ATOM 270 N ARG A 578 1.832 15.905 4.617 1.00 73.14 N ATOM 271 CA ARG A 578 0.770 15.224 3.889 1.00 11.23 C ATOM 272 C ARG A 578 1.117 13.755 3.668 1.00 23.50 C ATOM 273 O ARG A 578 2.277 13.347 3.742 1.00 33.14 O ATOM 274 CB ARG A 578 0.525 15.908 2.543 1.00 75.20 C ATOM 275 CG ARG A 578 -0.523 17.008 2.600 1.00 41.42 C ATOM 276 CD ARG A 578 -0.051 18.185 3.439 1.00 70.32 C ATOM 277 NE ARG A 578 -1.121 19.147 3.683 1.00 52.44 N ATOM 278 CZ ARG A 578 -1.618 19.948 2.747 1.00 31.14 C ATOM 279 NH1 ARG A 578 -1.144 19.900 1.510 1.00 31.22 N ATOM 280 NH2 ARG A 578 -2.592 20.797 3.047 1.00 42.42 N ATOM 0 H ARG A 578 2.534 16.346 4.023 1.00 73.14 H new ATOM 0 HA ARG A 578 -0.139 15.279 4.488 1.00 11.23 H new ATOM 0 HB2 ARG A 578 1.463 16.330 2.184 1.00 75.20 H new ATOM 0 HB3 ARG A 578 0.213 15.158 1.816 1.00 75.20 H new ATOM 0 HG2 ARG A 578 -0.750 17.348 1.590 1.00 41.42 H new ATOM 0 HG3 ARG A 578 -1.448 16.610 3.018 1.00 41.42 H new ATOM 0 HD2 ARG A 578 0.333 17.820 4.392 1.00 70.32 H new ATOM 0 HD3 ARG A 578 0.776 18.683 2.932 1.00 70.32 H new ATOM 0 HE ARG A 578 -1.509 19.208 4.624 1.00 52.44 H new ATOM 0 HH11 ARG A 578 -0.396 19.247 1.275 1.00 31.22 H new ATOM 0 HH12 ARG A 578 -1.527 20.516 0.793 1.00 31.22 H new ATOM 0 HH21 ARG A 578 -2.960 20.835 3.997 1.00 42.42 H new ATOM 0 HH22 ARG A 578 -2.973 21.411 2.327 1.00 42.42 H new ATOM 291 N PRO A 579 0.090 12.938 3.392 1.00 3.52 N ATOM 292 CA PRO A 579 0.260 11.501 3.155 1.00 73.13 C ATOM 293 C PRO A 579 0.972 11.212 1.838 1.00 3.51 C ATOM 294 O PRO A 579 1.481 12.121 1.183 1.00 54.14 O ATOM 295 CB PRO A 579 -1.176 10.975 3.115 1.00 12.03 C ATOM 296 CG PRO A 579 -1.998 12.147 2.704 1.00 35.13 C ATOM 297 CD PRO A 579 -1.320 13.354 3.289 1.00 72.32 C ATOM 0 HA PRO A 579 0.878 11.031 3.921 1.00 73.13 H new ATOM 0 HB2 PRO A 579 -1.277 10.153 2.406 1.00 12.03 H new ATOM 0 HB3 PRO A 579 -1.486 10.596 4.089 1.00 12.03 H new ATOM 0 HG2 PRO A 579 -2.057 12.221 1.618 1.00 35.13 H new ATOM 0 HG3 PRO A 579 -3.019 12.056 3.073 1.00 35.13 H new ATOM 0 HD2 PRO A 579 -1.435 14.229 2.649 1.00 72.32 H new ATOM 0 HD3 PRO A 579 -1.734 13.615 4.263 1.00 72.32 H new ATOM 302 N PHE A 580 1.002 9.940 1.454 1.00 52.20 N ATOM 303 CA PHE A 580 1.651 9.530 0.215 1.00 54.20 C ATOM 304 C PHE A 580 0.687 9.632 -0.963 1.00 30.30 C ATOM 305 O PHE A 580 -0.507 9.371 -0.825 1.00 0.44 O ATOM 306 CB PHE A 580 2.176 8.098 0.337 1.00 43.41 C ATOM 307 CG PHE A 580 3.609 8.021 0.780 1.00 63.12 C ATOM 308 CD1 PHE A 580 4.071 8.817 1.816 1.00 63.21 C ATOM 309 CD2 PHE A 580 4.493 7.151 0.162 1.00 22.21 C ATOM 310 CE1 PHE A 580 5.390 8.747 2.226 1.00 1.05 C ATOM 311 CE2 PHE A 580 5.812 7.078 0.568 1.00 23.54 C ATOM 312 CZ PHE A 580 6.261 7.875 1.601 1.00 10.40 C ATOM 0 H PHE A 580 0.584 9.175 1.984 1.00 52.20 H new ATOM 0 HA PHE A 580 2.490 10.202 0.035 1.00 54.20 H new ATOM 0 HB2 PHE A 580 1.555 7.551 1.046 1.00 43.41 H new ATOM 0 HB3 PHE A 580 2.075 7.599 -0.627 1.00 43.41 H new ATOM 0 HD1 PHE A 580 3.394 9.499 2.308 1.00 63.21 H new ATOM 0 HD2 PHE A 580 4.147 6.523 -0.646 1.00 22.21 H new ATOM 0 HE1 PHE A 580 5.739 9.373 3.034 1.00 1.05 H new ATOM 0 HE2 PHE A 580 6.491 6.397 0.077 1.00 23.54 H new ATOM 0 HZ PHE A 580 7.291 7.817 1.920 1.00 10.40 H new ATOM 321 N SER A 581 1.216 10.013 -2.122 1.00 60.01 N ATOM 322 CA SER A 581 0.402 10.154 -3.324 1.00 11.25 C ATOM 323 C SER A 581 0.025 8.787 -3.887 1.00 22.25 C ATOM 324 O SER A 581 0.659 7.778 -3.577 1.00 15.25 O ATOM 325 CB SER A 581 1.153 10.964 -4.382 1.00 54.24 C ATOM 326 OG SER A 581 1.367 12.296 -3.946 1.00 71.54 O ATOM 0 H SER A 581 2.204 10.229 -2.254 1.00 60.01 H new ATOM 0 HA SER A 581 -0.513 10.682 -3.054 1.00 11.25 H new ATOM 0 HB2 SER A 581 2.111 10.490 -4.596 1.00 54.24 H new ATOM 0 HB3 SER A 581 0.585 10.969 -5.312 1.00 54.24 H new ATOM 0 HG SER A 581 1.850 12.793 -4.639 1.00 71.54 H new ATOM 331 N VAL A 582 -1.012 8.762 -4.718 1.00 2.32 N ATOM 332 CA VAL A 582 -1.475 7.521 -5.327 1.00 44.21 C ATOM 333 C VAL A 582 -0.335 6.798 -6.035 1.00 25.21 C ATOM 334 O VAL A 582 -0.286 5.569 -6.060 1.00 64.15 O ATOM 335 CB VAL A 582 -2.610 7.779 -6.336 1.00 75.32 C ATOM 336 CG1 VAL A 582 -3.827 8.361 -5.634 1.00 72.03 C ATOM 337 CG2 VAL A 582 -2.133 8.701 -7.448 1.00 21.23 C ATOM 0 H VAL A 582 -1.548 9.588 -4.985 1.00 2.32 H new ATOM 0 HA VAL A 582 -1.853 6.894 -4.519 1.00 44.21 H new ATOM 0 HB VAL A 582 -2.900 6.828 -6.783 1.00 75.32 H new ATOM 0 HG11 VAL A 582 -4.618 8.536 -6.363 1.00 72.03 H new ATOM 0 HG12 VAL A 582 -4.180 7.661 -4.877 1.00 72.03 H new ATOM 0 HG13 VAL A 582 -3.556 9.304 -5.158 1.00 72.03 H new ATOM 0 HG21 VAL A 582 -2.947 8.873 -8.152 1.00 21.23 H new ATOM 0 HG22 VAL A 582 -1.816 9.652 -7.021 1.00 21.23 H new ATOM 0 HG23 VAL A 582 -1.294 8.239 -7.969 1.00 21.23 H new ATOM 347 N ALA A 583 0.581 7.570 -6.610 1.00 51.33 N ATOM 348 CA ALA A 583 1.723 7.004 -7.317 1.00 41.11 C ATOM 349 C ALA A 583 2.625 6.223 -6.367 1.00 73.33 C ATOM 350 O ALA A 583 3.046 5.108 -6.672 1.00 52.41 O ATOM 351 CB ALA A 583 2.512 8.103 -8.013 1.00 43.22 C ATOM 0 H ALA A 583 0.554 8.590 -6.600 1.00 51.33 H new ATOM 0 HA ALA A 583 1.345 6.312 -8.069 1.00 41.11 H new ATOM 0 HB1 ALA A 583 3.362 7.665 -8.537 1.00 43.22 H new ATOM 0 HB2 ALA A 583 1.869 8.615 -8.729 1.00 43.22 H new ATOM 0 HB3 ALA A 583 2.871 8.818 -7.273 1.00 43.22 H new ATOM 357 N GLU A 584 2.918 6.818 -5.214 1.00 73.42 N ATOM 358 CA GLU A 584 3.772 6.178 -4.220 1.00 0.04 C ATOM 359 C GLU A 584 3.051 5.008 -3.556 1.00 4.13 C ATOM 360 O GLU A 584 3.601 3.914 -3.433 1.00 71.33 O ATOM 361 CB GLU A 584 4.207 7.191 -3.160 1.00 55.42 C ATOM 362 CG GLU A 584 4.879 8.426 -3.737 1.00 61.30 C ATOM 363 CD GLU A 584 6.381 8.423 -3.528 1.00 50.00 C ATOM 364 OE1 GLU A 584 6.824 8.093 -2.408 1.00 24.34 O ATOM 365 OE2 GLU A 584 7.114 8.752 -4.484 1.00 12.12 O ATOM 0 H GLU A 584 2.577 7.741 -4.946 1.00 73.42 H new ATOM 0 HA GLU A 584 4.656 5.796 -4.730 1.00 0.04 H new ATOM 0 HB2 GLU A 584 3.334 7.498 -2.584 1.00 55.42 H new ATOM 0 HB3 GLU A 584 4.893 6.706 -2.466 1.00 55.42 H new ATOM 0 HG2 GLU A 584 4.664 8.487 -4.804 1.00 61.30 H new ATOM 0 HG3 GLU A 584 4.453 9.317 -3.275 1.00 61.30 H new ATOM 370 N VAL A 585 1.815 5.248 -3.129 1.00 62.11 N ATOM 371 CA VAL A 585 1.017 4.216 -2.478 1.00 71.24 C ATOM 372 C VAL A 585 0.920 2.966 -3.346 1.00 34.41 C ATOM 373 O VAL A 585 0.890 1.846 -2.837 1.00 13.21 O ATOM 374 CB VAL A 585 -0.403 4.720 -2.164 1.00 43.44 C ATOM 375 CG1 VAL A 585 -1.232 3.617 -1.521 1.00 20.44 C ATOM 376 CG2 VAL A 585 -0.347 5.947 -1.265 1.00 65.54 C ATOM 0 H VAL A 585 1.345 6.148 -3.222 1.00 62.11 H new ATOM 0 HA VAL A 585 1.522 3.968 -1.544 1.00 71.24 H new ATOM 0 HB VAL A 585 -0.883 5.005 -3.100 1.00 43.44 H new ATOM 0 HG11 VAL A 585 -2.233 3.992 -1.306 1.00 20.44 H new ATOM 0 HG12 VAL A 585 -1.301 2.769 -2.203 1.00 20.44 H new ATOM 0 HG13 VAL A 585 -0.757 3.299 -0.593 1.00 20.44 H new ATOM 0 HG21 VAL A 585 -1.360 6.290 -1.053 1.00 65.54 H new ATOM 0 HG22 VAL A 585 0.152 5.691 -0.330 1.00 65.54 H new ATOM 0 HG23 VAL A 585 0.207 6.741 -1.766 1.00 65.54 H new ATOM 386 N GLU A 586 0.874 3.167 -4.659 1.00 25.45 N ATOM 387 CA GLU A 586 0.781 2.055 -5.599 1.00 51.50 C ATOM 388 C GLU A 586 1.888 1.035 -5.346 1.00 72.12 C ATOM 389 O GLU A 586 1.633 -0.166 -5.260 1.00 14.33 O ATOM 390 CB GLU A 586 0.863 2.567 -7.038 1.00 2.15 C ATOM 391 CG GLU A 586 -0.491 2.904 -7.641 1.00 12.33 C ATOM 392 CD GLU A 586 -0.396 3.943 -8.742 1.00 65.11 C ATOM 393 OE1 GLU A 586 0.726 4.185 -9.233 1.00 53.32 O ATOM 394 OE2 GLU A 586 -1.443 4.514 -9.111 1.00 1.23 O ATOM 0 H GLU A 586 0.900 4.088 -5.096 1.00 25.45 H new ATOM 0 HA GLU A 586 -0.181 1.565 -5.450 1.00 51.50 H new ATOM 0 HB2 GLU A 586 1.494 3.455 -7.064 1.00 2.15 H new ATOM 0 HB3 GLU A 586 1.349 1.813 -7.656 1.00 2.15 H new ATOM 0 HG2 GLU A 586 -0.943 1.996 -8.041 1.00 12.33 H new ATOM 0 HG3 GLU A 586 -1.153 3.271 -6.857 1.00 12.33 H new ATOM 399 N ALA A 587 3.118 1.523 -5.228 1.00 54.02 N ATOM 400 CA ALA A 587 4.264 0.656 -4.985 1.00 53.34 C ATOM 401 C ALA A 587 4.088 -0.138 -3.695 1.00 3.41 C ATOM 402 O ALA A 587 4.368 -1.336 -3.648 1.00 64.34 O ATOM 403 CB ALA A 587 5.545 1.476 -4.930 1.00 55.51 C ATOM 0 H ALA A 587 3.347 2.515 -5.297 1.00 54.02 H new ATOM 0 HA ALA A 587 4.333 -0.052 -5.811 1.00 53.34 H new ATOM 0 HB1 ALA A 587 6.392 0.815 -4.748 1.00 55.51 H new ATOM 0 HB2 ALA A 587 5.686 1.994 -5.878 1.00 55.51 H new ATOM 0 HB3 ALA A 587 5.475 2.207 -4.124 1.00 55.51 H new ATOM 409 N LEU A 588 3.620 0.536 -2.650 1.00 3.00 N ATOM 410 CA LEU A 588 3.405 -0.107 -1.358 1.00 73.44 C ATOM 411 C LEU A 588 2.487 -1.317 -1.498 1.00 51.20 C ATOM 412 O LEU A 588 2.773 -2.391 -0.968 1.00 21.32 O ATOM 413 CB LEU A 588 2.808 0.889 -0.363 1.00 14.32 C ATOM 414 CG LEU A 588 2.882 0.492 1.112 1.00 35.34 C ATOM 415 CD1 LEU A 588 1.979 -0.699 1.390 1.00 31.35 C ATOM 416 CD2 LEU A 588 4.318 0.178 1.508 1.00 13.13 C ATOM 0 H LEU A 588 3.382 1.528 -2.672 1.00 3.00 H new ATOM 0 HA LEU A 588 4.371 -0.448 -0.985 1.00 73.44 H new ATOM 0 HB2 LEU A 588 3.317 1.845 -0.487 1.00 14.32 H new ATOM 0 HB3 LEU A 588 1.762 1.049 -0.623 1.00 14.32 H new ATOM 0 HG LEU A 588 2.535 1.333 1.713 1.00 35.34 H new ATOM 0 HD11 LEU A 588 2.045 -0.967 2.444 1.00 31.35 H new ATOM 0 HD12 LEU A 588 0.949 -0.440 1.145 1.00 31.35 H new ATOM 0 HD13 LEU A 588 2.295 -1.545 0.780 1.00 31.35 H new ATOM 0 HD21 LEU A 588 4.352 -0.103 2.561 1.00 13.13 H new ATOM 0 HD22 LEU A 588 4.691 -0.647 0.900 1.00 13.13 H new ATOM 0 HD23 LEU A 588 4.941 1.058 1.347 1.00 13.13 H new ATOM 427 N VAL A 589 1.383 -1.136 -2.216 1.00 71.32 N ATOM 428 CA VAL A 589 0.424 -2.213 -2.429 1.00 72.31 C ATOM 429 C VAL A 589 0.982 -3.265 -3.380 1.00 62.30 C ATOM 430 O VAL A 589 1.049 -4.447 -3.042 1.00 51.00 O ATOM 431 CB VAL A 589 -0.904 -1.678 -2.996 1.00 1.10 C ATOM 432 CG1 VAL A 589 -1.941 -2.789 -3.066 1.00 12.14 C ATOM 433 CG2 VAL A 589 -1.412 -0.516 -2.155 1.00 61.12 C ATOM 0 H VAL A 589 1.131 -0.253 -2.660 1.00 71.32 H new ATOM 0 HA VAL A 589 0.238 -2.668 -1.456 1.00 72.31 H new ATOM 0 HB VAL A 589 -0.727 -1.315 -4.008 1.00 1.10 H new ATOM 0 HG11 VAL A 589 -2.873 -2.392 -3.469 1.00 12.14 H new ATOM 0 HG12 VAL A 589 -1.576 -3.587 -3.713 1.00 12.14 H new ATOM 0 HG13 VAL A 589 -2.118 -3.185 -2.066 1.00 12.14 H new ATOM 0 HG21 VAL A 589 -2.351 -0.150 -2.570 1.00 61.12 H new ATOM 0 HG22 VAL A 589 -1.574 -0.852 -1.131 1.00 61.12 H new ATOM 0 HG23 VAL A 589 -0.675 0.287 -2.161 1.00 61.12 H new ATOM 443 N GLU A 590 1.382 -2.828 -4.569 1.00 21.24 N ATOM 444 CA GLU A 590 1.934 -3.734 -5.570 1.00 73.41 C ATOM 445 C GLU A 590 3.081 -4.554 -4.987 1.00 70.44 C ATOM 446 O GLU A 590 3.317 -5.691 -5.395 1.00 12.33 O ATOM 447 CB GLU A 590 2.423 -2.948 -6.788 1.00 1.32 C ATOM 448 CG GLU A 590 1.306 -2.535 -7.733 1.00 70.12 C ATOM 449 CD GLU A 590 0.821 -3.680 -8.600 1.00 5.23 C ATOM 450 OE1 GLU A 590 0.148 -4.586 -8.063 1.00 72.33 O ATOM 451 OE2 GLU A 590 1.115 -3.672 -9.814 1.00 44.31 O ATOM 0 H GLU A 590 1.334 -1.853 -4.863 1.00 21.24 H new ATOM 0 HA GLU A 590 1.143 -4.416 -5.881 1.00 73.41 H new ATOM 0 HB2 GLU A 590 2.948 -2.056 -6.447 1.00 1.32 H new ATOM 0 HB3 GLU A 590 3.145 -3.554 -7.335 1.00 1.32 H new ATOM 0 HG2 GLU A 590 0.470 -2.145 -7.153 1.00 70.12 H new ATOM 0 HG3 GLU A 590 1.657 -1.724 -8.372 1.00 70.12 H new ATOM 456 N ALA A 591 3.793 -3.967 -4.029 1.00 22.35 N ATOM 457 CA ALA A 591 4.915 -4.643 -3.390 1.00 44.10 C ATOM 458 C ALA A 591 4.430 -5.690 -2.393 1.00 1.53 C ATOM 459 O ALA A 591 4.886 -6.833 -2.405 1.00 41.11 O ATOM 460 CB ALA A 591 5.815 -3.630 -2.697 1.00 33.13 C ATOM 0 H ALA A 591 3.612 -3.026 -3.679 1.00 22.35 H new ATOM 0 HA ALA A 591 5.488 -5.154 -4.164 1.00 44.10 H new ATOM 0 HB1 ALA A 591 6.649 -4.148 -2.224 1.00 33.13 H new ATOM 0 HB2 ALA A 591 6.198 -2.921 -3.431 1.00 33.13 H new ATOM 0 HB3 ALA A 591 5.244 -3.094 -1.939 1.00 33.13 H new ATOM 466 N VAL A 592 3.500 -5.292 -1.530 1.00 52.25 N ATOM 467 CA VAL A 592 2.952 -6.196 -0.526 1.00 41.02 C ATOM 468 C VAL A 592 1.997 -7.204 -1.156 1.00 34.14 C ATOM 469 O VAL A 592 1.751 -8.273 -0.599 1.00 54.32 O ATOM 470 CB VAL A 592 2.207 -5.423 0.579 1.00 72.32 C ATOM 471 CG1 VAL A 592 0.885 -4.885 0.057 1.00 22.12 C ATOM 472 CG2 VAL A 592 1.988 -6.311 1.795 1.00 44.03 C ATOM 0 H VAL A 592 3.111 -4.350 -1.506 1.00 52.25 H new ATOM 0 HA VAL A 592 3.796 -6.726 -0.084 1.00 41.02 H new ATOM 0 HB VAL A 592 2.822 -4.575 0.882 1.00 72.32 H new ATOM 0 HG11 VAL A 592 0.374 -4.342 0.852 1.00 22.12 H new ATOM 0 HG12 VAL A 592 1.071 -4.212 -0.780 1.00 22.12 H new ATOM 0 HG13 VAL A 592 0.261 -5.714 -0.276 1.00 22.12 H new ATOM 0 HG21 VAL A 592 1.461 -5.749 2.566 1.00 44.03 H new ATOM 0 HG22 VAL A 592 1.395 -7.180 1.509 1.00 44.03 H new ATOM 0 HG23 VAL A 592 2.952 -6.641 2.182 1.00 44.03 H new ATOM 482 N GLU A 593 1.463 -6.855 -2.322 1.00 34.33 N ATOM 483 CA GLU A 593 0.535 -7.730 -3.030 1.00 70.15 C ATOM 484 C GLU A 593 1.266 -8.928 -3.628 1.00 4.43 C ATOM 485 O GLU A 593 0.786 -10.061 -3.560 1.00 15.40 O ATOM 486 CB GLU A 593 -0.190 -6.957 -4.133 1.00 71.23 C ATOM 487 CG GLU A 593 -1.554 -6.434 -3.716 1.00 72.41 C ATOM 488 CD GLU A 593 -2.476 -6.199 -4.897 1.00 62.44 C ATOM 489 OE1 GLU A 593 -2.219 -5.254 -5.672 1.00 61.44 O ATOM 490 OE2 GLU A 593 -3.453 -6.962 -5.046 1.00 2.14 O ATOM 0 H GLU A 593 1.657 -5.973 -2.796 1.00 34.33 H new ATOM 0 HA GLU A 593 -0.199 -8.096 -2.312 1.00 70.15 H new ATOM 0 HB2 GLU A 593 0.431 -6.118 -4.445 1.00 71.23 H new ATOM 0 HB3 GLU A 593 -0.309 -7.605 -5.001 1.00 71.23 H new ATOM 0 HG2 GLU A 593 -2.018 -7.146 -3.033 1.00 72.41 H new ATOM 0 HG3 GLU A 593 -1.429 -5.501 -3.167 1.00 72.41 H new ATOM 495 N HIS A 594 2.430 -8.671 -4.216 1.00 51.11 N ATOM 496 CA HIS A 594 3.228 -9.727 -4.828 1.00 33.11 C ATOM 497 C HIS A 594 4.064 -10.453 -3.778 1.00 55.24 C ATOM 498 O HIS A 594 4.138 -11.683 -3.770 1.00 54.24 O ATOM 499 CB HIS A 594 4.138 -9.146 -5.910 1.00 70.31 C ATOM 500 CG HIS A 594 4.489 -10.126 -6.988 1.00 53.41 C ATOM 501 ND1 HIS A 594 4.957 -11.396 -6.727 1.00 23.02 N ATOM 502 CD2 HIS A 594 4.435 -10.016 -8.336 1.00 41.31 C ATOM 503 CE1 HIS A 594 5.178 -12.025 -7.867 1.00 1.35 C ATOM 504 NE2 HIS A 594 4.868 -11.209 -8.859 1.00 21.44 N ATOM 0 H HIS A 594 2.842 -7.740 -4.282 1.00 51.11 H new ATOM 0 HA HIS A 594 2.547 -10.445 -5.285 1.00 33.11 H new ATOM 0 HB2 HIS A 594 3.648 -8.283 -6.361 1.00 70.31 H new ATOM 0 HB3 HIS A 594 5.056 -8.785 -5.446 1.00 70.31 H new ATOM 0 HD1 HIS A 594 5.109 -11.789 -5.798 1.00 23.02 H new ATOM 0 HD2 HIS A 594 4.112 -9.151 -8.896 1.00 41.31 H new ATOM 0 HE1 HIS A 594 5.549 -13.034 -7.971 1.00 1.35 H new ATOM 511 N LEU A 595 4.693 -9.684 -2.896 1.00 63.22 N ATOM 512 CA LEU A 595 5.525 -10.255 -1.841 1.00 33.11 C ATOM 513 C LEU A 595 4.669 -10.758 -0.685 1.00 44.45 C ATOM 514 O LEU A 595 5.122 -11.555 0.136 1.00 55.21 O ATOM 515 CB LEU A 595 6.526 -9.213 -1.336 1.00 1.22 C ATOM 516 CG LEU A 595 7.296 -8.445 -2.410 1.00 2.31 C ATOM 517 CD1 LEU A 595 7.806 -7.124 -1.859 1.00 75.14 C ATOM 518 CD2 LEU A 595 8.448 -9.284 -2.942 1.00 33.34 C ATOM 0 H LEU A 595 4.643 -8.665 -2.890 1.00 63.22 H new ATOM 0 HA LEU A 595 6.070 -11.102 -2.259 1.00 33.11 H new ATOM 0 HB2 LEU A 595 5.990 -8.493 -0.718 1.00 1.22 H new ATOM 0 HB3 LEU A 595 7.246 -9.714 -0.690 1.00 1.22 H new ATOM 0 HG LEU A 595 6.617 -8.232 -3.235 1.00 2.31 H new ATOM 0 HD11 LEU A 595 8.352 -6.591 -2.638 1.00 75.14 H new ATOM 0 HD12 LEU A 595 6.963 -6.518 -1.528 1.00 75.14 H new ATOM 0 HD13 LEU A 595 8.470 -7.314 -1.016 1.00 75.14 H new ATOM 0 HD21 LEU A 595 8.985 -8.722 -3.706 1.00 33.34 H new ATOM 0 HD22 LEU A 595 9.128 -9.528 -2.126 1.00 33.34 H new ATOM 0 HD23 LEU A 595 8.058 -10.204 -3.376 1.00 33.34 H new ATOM 529 N GLY A 596 3.427 -10.289 -0.626 1.00 1.21 N ATOM 530 CA GLY A 596 2.525 -10.703 0.434 1.00 22.51 C ATOM 531 C GLY A 596 2.684 -9.870 1.689 1.00 62.54 C ATOM 532 O GLY A 596 3.504 -8.953 1.736 1.00 52.32 O ATOM 0 H GLY A 596 3.028 -9.629 -1.294 1.00 1.21 H new ATOM 0 HA2 GLY A 596 1.496 -10.629 0.081 1.00 22.51 H new ATOM 0 HA3 GLY A 596 2.706 -11.751 0.672 1.00 22.51 H new ATOM 536 N THR A 597 1.896 -10.188 2.712 1.00 73.24 N ATOM 537 CA THR A 597 1.951 -9.460 3.974 1.00 42.32 C ATOM 538 C THR A 597 2.909 -10.129 4.953 1.00 60.52 C ATOM 539 O THR A 597 2.746 -10.022 6.168 1.00 33.34 O ATOM 540 CB THR A 597 0.559 -9.359 4.625 1.00 12.35 C ATOM 541 OG1 THR A 597 -0.154 -10.588 4.450 1.00 12.52 O ATOM 542 CG2 THR A 597 -0.239 -8.213 4.020 1.00 44.12 C ATOM 0 H THR A 597 1.212 -10.945 2.691 1.00 73.24 H new ATOM 0 HA THR A 597 2.311 -8.457 3.745 1.00 42.32 H new ATOM 0 HB THR A 597 0.693 -9.166 5.689 1.00 12.35 H new ATOM 0 HG1 THR A 597 -0.562 -10.605 3.559 1.00 12.52 H new ATOM 0 HG21 THR A 597 -1.219 -8.161 4.495 1.00 44.12 H new ATOM 0 HG22 THR A 597 0.292 -7.275 4.181 1.00 44.12 H new ATOM 0 HG23 THR A 597 -0.363 -8.381 2.950 1.00 44.12 H new ATOM 550 N GLY A 598 3.911 -10.819 4.416 1.00 50.30 N ATOM 551 CA GLY A 598 4.882 -11.495 5.257 1.00 54.43 C ATOM 552 C GLY A 598 6.308 -11.106 4.924 1.00 21.31 C ATOM 553 O GLY A 598 7.247 -11.516 5.607 1.00 11.20 O ATOM 0 H GLY A 598 4.068 -10.922 3.413 1.00 50.30 H new ATOM 0 HA2 GLY A 598 4.679 -11.260 6.302 1.00 54.43 H new ATOM 0 HA3 GLY A 598 4.767 -12.573 5.145 1.00 54.43 H new ATOM 557 N ARG A 599 6.473 -10.315 3.868 1.00 44.14 N ATOM 558 CA ARG A 599 7.796 -9.874 3.443 1.00 41.41 C ATOM 559 C ARG A 599 7.873 -8.351 3.397 1.00 13.25 C ATOM 560 O ARG A 599 7.768 -7.747 2.329 1.00 15.24 O ATOM 561 CB ARG A 599 8.134 -10.455 2.069 1.00 12.44 C ATOM 562 CG ARG A 599 8.955 -11.732 2.131 1.00 43.43 C ATOM 563 CD ARG A 599 10.191 -11.644 1.251 1.00 53.54 C ATOM 564 NE ARG A 599 10.208 -12.679 0.222 1.00 3.44 N ATOM 565 CZ ARG A 599 11.311 -13.086 -0.394 1.00 30.10 C ATOM 566 NH1 ARG A 599 12.483 -12.547 -0.087 1.00 2.21 N ATOM 567 NH2 ARG A 599 11.244 -14.035 -1.320 1.00 15.32 N ATOM 0 H ARG A 599 5.707 -9.967 3.292 1.00 44.14 H new ATOM 0 HA ARG A 599 8.523 -10.235 4.171 1.00 41.41 H new ATOM 0 HB2 ARG A 599 7.207 -10.655 1.531 1.00 12.44 H new ATOM 0 HB3 ARG A 599 8.682 -9.709 1.494 1.00 12.44 H new ATOM 0 HG2 ARG A 599 9.254 -11.924 3.162 1.00 43.43 H new ATOM 0 HG3 ARG A 599 8.342 -12.576 1.815 1.00 43.43 H new ATOM 0 HD2 ARG A 599 10.229 -10.663 0.778 1.00 53.54 H new ATOM 0 HD3 ARG A 599 11.083 -11.735 1.870 1.00 53.54 H new ATOM 0 HE ARG A 599 9.323 -13.114 -0.038 1.00 3.44 H new ATOM 0 HH11 ARG A 599 12.538 -11.818 0.624 1.00 2.21 H new ATOM 0 HH12 ARG A 599 13.329 -12.862 -0.562 1.00 2.21 H new ATOM 0 HH21 ARG A 599 10.344 -14.452 -1.559 1.00 15.32 H new ATOM 0 HH22 ARG A 599 12.092 -14.347 -1.793 1.00 15.32 H new ATOM 578 N TRP A 600 8.055 -7.737 4.560 1.00 61.50 N ATOM 579 CA TRP A 600 8.145 -6.284 4.652 1.00 63.13 C ATOM 580 C TRP A 600 9.441 -5.779 4.027 1.00 2.11 C ATOM 581 O TRP A 600 9.444 -4.782 3.304 1.00 51.53 O ATOM 582 CB TRP A 600 8.060 -5.839 6.113 1.00 31.43 C ATOM 583 CG TRP A 600 6.949 -6.499 6.872 1.00 13.45 C ATOM 584 CD1 TRP A 600 5.669 -6.703 6.438 1.00 72.24 C ATOM 585 CD2 TRP A 600 7.017 -7.037 8.196 1.00 44.03 C ATOM 586 NE1 TRP A 600 4.938 -7.337 7.414 1.00 74.35 N ATOM 587 CE2 TRP A 600 5.743 -7.554 8.503 1.00 14.45 C ATOM 588 CE3 TRP A 600 8.031 -7.136 9.153 1.00 34.43 C ATOM 589 CZ2 TRP A 600 5.458 -8.157 9.725 1.00 75.11 C ATOM 590 CZ3 TRP A 600 7.747 -7.734 10.366 1.00 24.34 C ATOM 591 CH2 TRP A 600 6.470 -8.240 10.642 1.00 52.22 C ATOM 0 H TRP A 600 8.143 -8.222 5.453 1.00 61.50 H new ATOM 0 HA TRP A 600 7.307 -5.856 4.101 1.00 63.13 H new ATOM 0 HB2 TRP A 600 9.007 -6.056 6.607 1.00 31.43 H new ATOM 0 HB3 TRP A 600 7.923 -4.758 6.149 1.00 31.43 H new ATOM 0 HD1 TRP A 600 5.288 -6.409 5.471 1.00 72.24 H new ATOM 0 HE1 TRP A 600 3.956 -7.603 7.340 1.00 74.35 H new ATOM 0 HE3 TRP A 600 9.019 -6.752 8.948 1.00 34.43 H new ATOM 0 HZ2 TRP A 600 4.474 -8.545 9.941 1.00 75.11 H new ATOM 0 HZ3 TRP A 600 8.522 -7.813 11.114 1.00 24.34 H new ATOM 0 HH2 TRP A 600 6.281 -8.705 11.598 1.00 52.22 H new ATOM 601 N ARG A 601 10.539 -6.471 4.310 1.00 25.41 N ATOM 602 CA ARG A 601 11.840 -6.091 3.776 1.00 22.42 C ATOM 603 C ARG A 601 11.783 -5.940 2.258 1.00 54.21 C ATOM 604 O ARG A 601 12.239 -4.938 1.707 1.00 21.14 O ATOM 605 CB ARG A 601 12.896 -7.132 4.155 1.00 52.40 C ATOM 606 CG ARG A 601 14.307 -6.573 4.220 1.00 34.54 C ATOM 607 CD ARG A 601 15.279 -7.580 4.815 1.00 42.02 C ATOM 608 NE ARG A 601 14.855 -8.033 6.137 1.00 3.55 N ATOM 609 CZ ARG A 601 15.515 -8.937 6.851 1.00 5.22 C ATOM 610 NH1 ARG A 601 16.625 -9.482 6.374 1.00 71.41 N ATOM 611 NH2 ARG A 601 15.065 -9.299 8.046 1.00 62.14 N ATOM 0 H ARG A 601 10.553 -7.298 4.907 1.00 25.41 H new ATOM 0 HA ARG A 601 12.115 -5.130 4.210 1.00 22.42 H new ATOM 0 HB2 ARG A 601 12.639 -7.561 5.124 1.00 52.40 H new ATOM 0 HB3 ARG A 601 12.869 -7.945 3.429 1.00 52.40 H new ATOM 0 HG2 ARG A 601 14.636 -6.296 3.218 1.00 34.54 H new ATOM 0 HG3 ARG A 601 14.312 -5.663 4.820 1.00 34.54 H new ATOM 0 HD2 ARG A 601 15.366 -8.438 4.148 1.00 42.02 H new ATOM 0 HD3 ARG A 601 16.269 -7.130 4.886 1.00 42.02 H new ATOM 0 HE ARG A 601 14.005 -7.633 6.534 1.00 3.55 H new ATOM 0 HH11 ARG A 601 16.974 -9.207 5.456 1.00 71.41 H new ATOM 0 HH12 ARG A 601 17.130 -10.176 6.925 1.00 71.41 H new ATOM 0 HH21 ARG A 601 14.211 -8.883 8.417 1.00 62.14 H new ATOM 0 HH22 ARG A 601 15.573 -9.994 8.593 1.00 62.14 H new ATOM 622 N ASP A 602 11.219 -6.940 1.590 1.00 71.42 N ATOM 623 CA ASP A 602 11.102 -6.918 0.137 1.00 62.00 C ATOM 624 C ASP A 602 10.145 -5.819 -0.314 1.00 21.12 C ATOM 625 O ASP A 602 10.308 -5.242 -1.389 1.00 52.41 O ATOM 626 CB ASP A 602 10.618 -8.276 -0.377 1.00 53.14 C ATOM 627 CG ASP A 602 11.755 -9.259 -0.573 1.00 72.11 C ATOM 628 OD1 ASP A 602 12.807 -9.086 0.077 1.00 34.44 O ATOM 629 OD2 ASP A 602 11.593 -10.201 -1.377 1.00 43.00 O ATOM 0 H ASP A 602 10.836 -7.776 2.031 1.00 71.42 H new ATOM 0 HA ASP A 602 12.087 -6.710 -0.280 1.00 62.00 H new ATOM 0 HB2 ASP A 602 9.899 -8.693 0.328 1.00 53.14 H new ATOM 0 HB3 ASP A 602 10.094 -8.138 -1.323 1.00 53.14 H new ATOM 633 N VAL A 603 9.145 -5.535 0.515 1.00 21.32 N ATOM 634 CA VAL A 603 8.161 -4.506 0.201 1.00 71.23 C ATOM 635 C VAL A 603 8.804 -3.124 0.169 1.00 13.24 C ATOM 636 O VAL A 603 8.431 -2.272 -0.639 1.00 63.12 O ATOM 637 CB VAL A 603 7.009 -4.500 1.224 1.00 72.41 C ATOM 638 CG1 VAL A 603 6.179 -3.233 1.087 1.00 41.11 C ATOM 639 CG2 VAL A 603 6.141 -5.737 1.055 1.00 22.34 C ATOM 0 H VAL A 603 8.995 -6.003 1.409 1.00 21.32 H new ATOM 0 HA VAL A 603 7.760 -4.741 -0.785 1.00 71.23 H new ATOM 0 HB VAL A 603 7.436 -4.518 2.227 1.00 72.41 H new ATOM 0 HG11 VAL A 603 5.370 -3.247 1.818 1.00 41.11 H new ATOM 0 HG12 VAL A 603 6.812 -2.363 1.262 1.00 41.11 H new ATOM 0 HG13 VAL A 603 5.759 -3.180 0.082 1.00 41.11 H new ATOM 0 HG21 VAL A 603 5.332 -5.717 1.785 1.00 22.34 H new ATOM 0 HG22 VAL A 603 5.721 -5.752 0.049 1.00 22.34 H new ATOM 0 HG23 VAL A 603 6.746 -6.630 1.209 1.00 22.34 H new ATOM 649 N LYS A 604 9.773 -2.907 1.051 1.00 70.20 N ATOM 650 CA LYS A 604 10.471 -1.629 1.124 1.00 31.22 C ATOM 651 C LYS A 604 11.344 -1.414 -0.109 1.00 24.33 C ATOM 652 O LYS A 604 11.331 -0.342 -0.710 1.00 32.15 O ATOM 653 CB LYS A 604 11.331 -1.565 2.387 1.00 42.15 C ATOM 654 CG LYS A 604 11.897 -0.183 2.669 1.00 5.12 C ATOM 655 CD LYS A 604 10.961 0.635 3.542 1.00 14.01 C ATOM 656 CE LYS A 604 11.612 1.933 3.993 1.00 55.13 C ATOM 657 NZ LYS A 604 11.724 2.915 2.878 1.00 24.20 N ATOM 0 H LYS A 604 10.093 -3.601 1.726 1.00 70.20 H new ATOM 0 HA LYS A 604 9.723 -0.837 1.161 1.00 31.22 H new ATOM 0 HB2 LYS A 604 10.733 -1.884 3.240 1.00 42.15 H new ATOM 0 HB3 LYS A 604 12.154 -2.273 2.292 1.00 42.15 H new ATOM 0 HG2 LYS A 604 12.865 -0.279 3.161 1.00 5.12 H new ATOM 0 HG3 LYS A 604 12.068 0.340 1.728 1.00 5.12 H new ATOM 0 HD2 LYS A 604 10.048 0.857 2.990 1.00 14.01 H new ATOM 0 HD3 LYS A 604 10.671 0.050 4.415 1.00 14.01 H new ATOM 0 HE2 LYS A 604 11.028 2.369 4.804 1.00 55.13 H new ATOM 0 HE3 LYS A 604 12.604 1.722 4.392 1.00 55.13 H new ATOM 0 HZ1 LYS A 604 12.717 2.985 2.576 1.00 24.20 H new ATOM 0 HZ2 LYS A 604 11.140 2.599 2.078 1.00 24.20 H new ATOM 0 HZ3 LYS A 604 11.394 3.847 3.201 1.00 24.20 H new ATOM 667 N MET A 605 12.098 -2.444 -0.480 1.00 13.12 N ATOM 668 CA MET A 605 12.974 -2.368 -1.643 1.00 73.34 C ATOM 669 C MET A 605 12.166 -2.390 -2.936 1.00 65.41 C ATOM 670 O MET A 605 12.563 -1.795 -3.938 1.00 14.41 O ATOM 671 CB MET A 605 13.974 -3.528 -1.633 1.00 51.43 C ATOM 672 CG MET A 605 14.847 -3.565 -0.389 1.00 62.43 C ATOM 673 SD MET A 605 16.286 -2.487 -0.518 1.00 12.10 S ATOM 674 CE MET A 605 17.593 -3.691 -0.738 1.00 32.50 C ATOM 0 H MET A 605 12.120 -3.340 0.007 1.00 13.12 H new ATOM 0 HA MET A 605 13.520 -1.426 -1.593 1.00 73.34 H new ATOM 0 HB2 MET A 605 13.428 -4.468 -1.713 1.00 51.43 H new ATOM 0 HB3 MET A 605 14.613 -3.454 -2.513 1.00 51.43 H new ATOM 0 HG2 MET A 605 14.253 -3.270 0.476 1.00 62.43 H new ATOM 0 HG3 MET A 605 15.179 -4.588 -0.213 1.00 62.43 H new ATOM 0 HE1 MET A 605 18.549 -3.177 -0.833 1.00 32.50 H new ATOM 0 HE2 MET A 605 17.623 -4.357 0.125 1.00 32.50 H new ATOM 0 HE3 MET A 605 17.403 -4.274 -1.639 1.00 32.50 H new ATOM 682 N ARG A 606 11.032 -3.082 -2.907 1.00 3.22 N ATOM 683 CA ARG A 606 10.168 -3.183 -4.078 1.00 52.43 C ATOM 684 C ARG A 606 9.365 -1.900 -4.272 1.00 35.35 C ATOM 685 O ARG A 606 9.186 -1.434 -5.398 1.00 0.21 O ATOM 686 CB ARG A 606 9.219 -4.375 -3.936 1.00 53.33 C ATOM 687 CG ARG A 606 8.043 -4.334 -4.900 1.00 62.22 C ATOM 688 CD ARG A 606 8.510 -4.308 -6.347 1.00 53.33 C ATOM 689 NE ARG A 606 9.236 -5.522 -6.710 1.00 64.02 N ATOM 690 CZ ARG A 606 9.946 -5.648 -7.825 1.00 51.32 C ATOM 691 NH1 ARG A 606 10.027 -4.638 -8.681 1.00 32.31 N ATOM 692 NH2 ARG A 606 10.578 -6.785 -8.086 1.00 72.12 N ATOM 0 H ARG A 606 10.690 -3.581 -2.086 1.00 3.22 H new ATOM 0 HA ARG A 606 10.800 -3.332 -4.954 1.00 52.43 H new ATOM 0 HB2 ARG A 606 9.779 -5.296 -4.098 1.00 53.33 H new ATOM 0 HB3 ARG A 606 8.840 -4.408 -2.915 1.00 53.33 H new ATOM 0 HG2 ARG A 606 7.407 -5.204 -4.737 1.00 62.22 H new ATOM 0 HG3 ARG A 606 7.435 -3.452 -4.697 1.00 62.22 H new ATOM 0 HD2 ARG A 606 7.648 -4.191 -7.004 1.00 53.33 H new ATOM 0 HD3 ARG A 606 9.151 -3.441 -6.505 1.00 53.33 H new ATOM 0 HE ARG A 606 9.195 -6.317 -6.072 1.00 64.02 H new ATOM 0 HH11 ARG A 606 9.543 -3.762 -8.483 1.00 32.31 H new ATOM 0 HH12 ARG A 606 10.573 -4.737 -9.537 1.00 32.31 H new ATOM 0 HH21 ARG A 606 10.519 -7.564 -7.430 1.00 72.12 H new ATOM 0 HH22 ARG A 606 11.123 -6.880 -8.943 1.00 72.12 H new ATOM 703 N ALA A 607 8.885 -1.334 -3.170 1.00 62.12 N ATOM 704 CA ALA A 607 8.103 -0.106 -3.220 1.00 55.10 C ATOM 705 C ALA A 607 9.007 1.117 -3.340 1.00 21.54 C ATOM 706 O ALA A 607 9.007 1.803 -4.362 1.00 34.32 O ATOM 707 CB ALA A 607 7.220 0.010 -1.986 1.00 24.22 C ATOM 0 H ALA A 607 9.024 -1.707 -2.231 1.00 62.12 H new ATOM 0 HA ALA A 607 7.469 -0.146 -4.105 1.00 55.10 H new ATOM 0 HB1 ALA A 607 6.642 0.933 -2.038 1.00 24.22 H new ATOM 0 HB2 ALA A 607 6.541 -0.842 -1.943 1.00 24.22 H new ATOM 0 HB3 ALA A 607 7.844 0.022 -1.092 1.00 24.22 H new ATOM 713 N PHE A 608 9.777 1.383 -2.291 1.00 20.40 N ATOM 714 CA PHE A 608 10.687 2.523 -2.279 1.00 4.12 C ATOM 715 C PHE A 608 11.864 2.290 -3.221 1.00 11.24 C ATOM 716 O PHE A 608 12.574 1.291 -3.110 1.00 24.04 O ATOM 717 CB PHE A 608 11.197 2.780 -0.859 1.00 34.43 C ATOM 718 CG PHE A 608 10.103 3.071 0.128 1.00 71.44 C ATOM 719 CD1 PHE A 608 9.373 2.039 0.696 1.00 74.14 C ATOM 720 CD2 PHE A 608 9.806 4.374 0.488 1.00 15.43 C ATOM 721 CE1 PHE A 608 8.366 2.303 1.606 1.00 20.44 C ATOM 722 CE2 PHE A 608 8.800 4.645 1.397 1.00 60.31 C ATOM 723 CZ PHE A 608 8.079 3.608 1.956 1.00 23.41 C ATOM 0 H PHE A 608 9.789 0.825 -1.437 1.00 20.40 H new ATOM 0 HA PHE A 608 10.137 3.399 -2.624 1.00 4.12 H new ATOM 0 HB2 PHE A 608 11.759 1.909 -0.520 1.00 34.43 H new ATOM 0 HB3 PHE A 608 11.891 3.620 -0.878 1.00 34.43 H new ATOM 0 HD1 PHE A 608 9.593 1.017 0.425 1.00 74.14 H new ATOM 0 HD2 PHE A 608 10.367 5.189 0.054 1.00 15.43 H new ATOM 0 HE1 PHE A 608 7.805 1.490 2.042 1.00 20.44 H new ATOM 0 HE2 PHE A 608 8.578 5.666 1.670 1.00 60.31 H new ATOM 0 HZ PHE A 608 7.292 3.817 2.666 1.00 23.41 H new ATOM 732 N ASP A 609 12.063 3.221 -4.149 1.00 64.52 N ATOM 733 CA ASP A 609 13.154 3.118 -5.111 1.00 73.40 C ATOM 734 C ASP A 609 14.499 3.371 -4.436 1.00 34.22 C ATOM 735 O ASP A 609 15.511 2.775 -4.804 1.00 0.54 O ATOM 736 CB ASP A 609 12.948 4.112 -6.255 1.00 61.33 C ATOM 737 CG ASP A 609 14.083 4.080 -7.260 1.00 10.33 C ATOM 738 OD1 ASP A 609 14.421 2.978 -7.740 1.00 3.20 O ATOM 739 OD2 ASP A 609 14.632 5.159 -7.569 1.00 63.51 O ATOM 0 H ASP A 609 11.484 4.054 -4.255 1.00 64.52 H new ATOM 0 HA ASP A 609 13.156 2.106 -5.515 1.00 73.40 H new ATOM 0 HB2 ASP A 609 12.010 3.888 -6.763 1.00 61.33 H new ATOM 0 HB3 ASP A 609 12.856 5.118 -5.846 1.00 61.33 H new ATOM 743 N ASN A 610 14.503 4.260 -3.449 1.00 42.53 N ATOM 744 CA ASN A 610 15.723 4.593 -2.725 1.00 51.54 C ATOM 745 C ASN A 610 15.532 4.411 -1.222 1.00 3.33 C ATOM 746 O ASN A 610 15.385 5.383 -0.482 1.00 4.50 O ATOM 747 CB ASN A 610 16.142 6.034 -3.025 1.00 44.42 C ATOM 748 CG ASN A 610 16.705 6.194 -4.423 1.00 61.21 C ATOM 749 OD1 ASN A 610 16.024 6.680 -5.327 1.00 5.12 O ATOM 750 ND2 ASN A 610 17.954 5.782 -4.609 1.00 51.52 N ATOM 0 H ASN A 610 13.674 4.763 -3.132 1.00 42.53 H new ATOM 0 HA ASN A 610 16.509 3.915 -3.058 1.00 51.54 H new ATOM 0 HB2 ASN A 610 15.281 6.692 -2.906 1.00 44.42 H new ATOM 0 HB3 ASN A 610 16.889 6.351 -2.297 1.00 44.42 H new ATOM 0 HD21 ASN A 610 18.386 5.862 -5.530 1.00 51.52 H new ATOM 0 HD22 ASN A 610 18.481 5.385 -3.831 1.00 51.52 H new ATOM 756 N ALA A 611 15.535 3.157 -0.779 1.00 2.52 N ATOM 757 CA ALA A 611 15.363 2.847 0.635 1.00 43.42 C ATOM 758 C ALA A 611 16.677 2.387 1.258 1.00 5.50 C ATOM 759 O ALA A 611 16.940 1.189 1.361 1.00 41.02 O ATOM 760 CB ALA A 611 14.291 1.783 0.815 1.00 2.42 C ATOM 0 H ALA A 611 15.655 2.341 -1.379 1.00 2.52 H new ATOM 0 HA ALA A 611 15.046 3.756 1.146 1.00 43.42 H new ATOM 0 HB1 ALA A 611 14.173 1.561 1.876 1.00 2.42 H new ATOM 0 HB2 ALA A 611 13.346 2.147 0.413 1.00 2.42 H new ATOM 0 HB3 ALA A 611 14.585 0.877 0.285 1.00 2.42 H new ATOM 766 N ASP A 612 17.497 3.346 1.673 1.00 10.44 N ATOM 767 CA ASP A 612 18.783 3.039 2.287 1.00 32.43 C ATOM 768 C ASP A 612 18.617 2.040 3.428 1.00 12.55 C ATOM 769 O ASP A 612 19.252 0.986 3.442 1.00 21.33 O ATOM 770 CB ASP A 612 19.444 4.318 2.805 1.00 3.15 C ATOM 771 CG ASP A 612 19.712 5.320 1.699 1.00 31.50 C ATOM 772 OD1 ASP A 612 20.536 5.016 0.811 1.00 45.24 O ATOM 773 OD2 ASP A 612 19.099 6.407 1.721 1.00 14.13 O ATOM 0 H ASP A 612 17.294 4.343 1.595 1.00 10.44 H new ATOM 0 HA ASP A 612 19.422 2.591 1.526 1.00 32.43 H new ATOM 0 HB2 ASP A 612 18.803 4.776 3.558 1.00 3.15 H new ATOM 0 HB3 ASP A 612 20.383 4.065 3.297 1.00 3.15 H new ATOM 777 N HIS A 613 17.758 2.380 4.385 1.00 73.23 N ATOM 778 CA HIS A 613 17.509 1.514 5.531 1.00 10.21 C ATOM 779 C HIS A 613 16.250 0.678 5.315 1.00 65.33 C ATOM 780 O HIS A 613 15.181 1.212 5.019 1.00 70.33 O ATOM 781 CB HIS A 613 17.370 2.346 6.806 1.00 3.13 C ATOM 782 CG HIS A 613 18.661 2.944 7.274 1.00 2.12 C ATOM 783 ND1 HIS A 613 19.895 2.486 6.864 1.00 1.22 N ATOM 784 CD2 HIS A 613 18.905 3.971 8.121 1.00 71.31 C ATOM 785 CE1 HIS A 613 20.843 3.204 7.440 1.00 50.44 C ATOM 786 NE2 HIS A 613 20.268 4.112 8.208 1.00 11.12 N ATOM 0 H HIS A 613 17.223 3.249 4.389 1.00 73.23 H new ATOM 0 HA HIS A 613 18.359 0.840 5.638 1.00 10.21 H new ATOM 0 HB2 HIS A 613 16.651 3.146 6.631 1.00 3.13 H new ATOM 0 HB3 HIS A 613 16.962 1.718 7.598 1.00 3.13 H new ATOM 0 HD2 HIS A 613 18.165 4.568 8.633 1.00 71.31 H new ATOM 0 HE1 HIS A 613 21.906 3.071 7.306 1.00 50.44 H new ATOM 0 HE2 HIS A 613 20.757 4.805 8.774 1.00 11.12 H new ATOM 793 N ARG A 614 16.386 -0.636 5.465 1.00 2.42 N ATOM 794 CA ARG A 614 15.260 -1.545 5.285 1.00 34.52 C ATOM 795 C ARG A 614 14.275 -1.426 6.444 1.00 23.22 C ATOM 796 O ARG A 614 14.515 -1.946 7.534 1.00 14.15 O ATOM 797 CB ARG A 614 15.757 -2.988 5.169 1.00 52.35 C ATOM 798 CG ARG A 614 16.953 -3.148 4.246 1.00 63.45 C ATOM 799 CD ARG A 614 17.354 -4.608 4.101 1.00 43.11 C ATOM 800 NE ARG A 614 16.796 -5.210 2.893 1.00 71.31 N ATOM 801 CZ ARG A 614 17.286 -6.308 2.326 1.00 51.43 C ATOM 802 NH1 ARG A 614 18.335 -6.920 2.857 1.00 72.42 N ATOM 803 NH2 ARG A 614 16.724 -6.795 1.227 1.00 65.31 N ATOM 0 H ARG A 614 17.264 -1.094 5.710 1.00 2.42 H new ATOM 0 HA ARG A 614 14.745 -1.270 4.364 1.00 34.52 H new ATOM 0 HB2 ARG A 614 16.023 -3.352 6.161 1.00 52.35 H new ATOM 0 HB3 ARG A 614 14.943 -3.616 4.807 1.00 52.35 H new ATOM 0 HG2 ARG A 614 16.715 -2.736 3.265 1.00 63.45 H new ATOM 0 HG3 ARG A 614 17.794 -2.576 4.636 1.00 63.45 H new ATOM 0 HD2 ARG A 614 18.441 -4.685 4.076 1.00 43.11 H new ATOM 0 HD3 ARG A 614 17.015 -5.166 4.974 1.00 43.11 H new ATOM 0 HE ARG A 614 15.987 -4.764 2.461 1.00 71.31 H new ATOM 0 HH11 ARG A 614 18.768 -6.549 3.703 1.00 72.42 H new ATOM 0 HH12 ARG A 614 18.709 -7.762 2.420 1.00 72.42 H new ATOM 0 HH21 ARG A 614 15.916 -6.327 0.817 1.00 65.31 H new ATOM 0 HH22 ARG A 614 17.100 -7.637 0.792 1.00 65.31 H new ATOM 814 N THR A 615 13.164 -0.738 6.200 1.00 10.55 N ATOM 815 CA THR A 615 12.142 -0.549 7.223 1.00 35.31 C ATOM 816 C THR A 615 10.970 -1.498 7.010 1.00 3.22 C ATOM 817 O THR A 615 10.753 -1.995 5.905 1.00 24.22 O ATOM 818 CB THR A 615 11.619 0.900 7.233 1.00 20.22 C ATOM 819 OG1 THR A 615 12.616 1.785 6.709 1.00 22.11 O ATOM 820 CG2 THR A 615 11.243 1.330 8.643 1.00 75.43 C ATOM 0 H THR A 615 12.949 -0.302 5.303 1.00 10.55 H new ATOM 0 HA THR A 615 12.611 -0.765 8.183 1.00 35.31 H new ATOM 0 HB THR A 615 10.728 0.945 6.606 1.00 20.22 H new ATOM 0 HG1 THR A 615 12.275 2.704 6.717 1.00 22.11 H new ATOM 0 HG21 THR A 615 10.877 2.356 8.625 1.00 75.43 H new ATOM 0 HG22 THR A 615 10.463 0.673 9.028 1.00 75.43 H new ATOM 0 HG23 THR A 615 12.120 1.269 9.288 1.00 75.43 H new ATOM 828 N TYR A 616 10.215 -1.747 8.075 1.00 13.35 N ATOM 829 CA TYR A 616 9.064 -2.639 8.004 1.00 40.02 C ATOM 830 C TYR A 616 7.819 -1.969 8.579 1.00 62.14 C ATOM 831 O TYR A 616 6.714 -2.142 8.067 1.00 4.21 O ATOM 832 CB TYR A 616 9.353 -3.938 8.758 1.00 42.25 C ATOM 833 CG TYR A 616 9.969 -3.721 10.122 1.00 64.53 C ATOM 834 CD1 TYR A 616 11.344 -3.582 10.270 1.00 14.21 C ATOM 835 CD2 TYR A 616 9.178 -3.659 11.263 1.00 74.13 C ATOM 836 CE1 TYR A 616 11.913 -3.385 11.514 1.00 23.24 C ATOM 837 CE2 TYR A 616 9.739 -3.461 12.510 1.00 52.45 C ATOM 838 CZ TYR A 616 11.106 -3.325 12.630 1.00 54.01 C ATOM 839 OH TYR A 616 11.667 -3.128 13.871 1.00 70.02 O ATOM 0 H TYR A 616 10.380 -1.344 8.997 1.00 13.35 H new ATOM 0 HA TYR A 616 8.878 -2.869 6.955 1.00 40.02 H new ATOM 0 HB2 TYR A 616 8.424 -4.496 8.873 1.00 42.25 H new ATOM 0 HB3 TYR A 616 10.024 -4.554 8.159 1.00 42.25 H new ATOM 0 HD1 TYR A 616 11.979 -3.629 9.398 1.00 14.21 H new ATOM 0 HD2 TYR A 616 8.107 -3.767 11.173 1.00 74.13 H new ATOM 0 HE1 TYR A 616 12.983 -3.279 11.611 1.00 23.24 H new ATOM 0 HE2 TYR A 616 9.110 -3.413 13.387 1.00 52.45 H new ATOM 0 HH TYR A 616 10.961 -3.110 14.550 1.00 70.02 H new ATOM 848 N VAL A 617 8.009 -1.202 9.649 1.00 21.13 N ATOM 849 CA VAL A 617 6.903 -0.504 10.294 1.00 42.24 C ATOM 850 C VAL A 617 6.366 0.613 9.407 1.00 43.01 C ATOM 851 O VAL A 617 5.170 0.905 9.415 1.00 30.12 O ATOM 852 CB VAL A 617 7.330 0.092 11.648 1.00 44.53 C ATOM 853 CG1 VAL A 617 8.446 1.107 11.458 1.00 50.21 C ATOM 854 CG2 VAL A 617 6.138 0.723 12.352 1.00 3.23 C ATOM 0 H VAL A 617 8.918 -1.049 10.087 1.00 21.13 H new ATOM 0 HA VAL A 617 6.117 -1.241 10.461 1.00 42.24 H new ATOM 0 HB VAL A 617 7.709 -0.714 12.276 1.00 44.53 H new ATOM 0 HG11 VAL A 617 8.734 1.517 12.426 1.00 50.21 H new ATOM 0 HG12 VAL A 617 9.307 0.620 11.000 1.00 50.21 H new ATOM 0 HG13 VAL A 617 8.099 1.913 10.812 1.00 50.21 H new ATOM 0 HG21 VAL A 617 6.458 1.139 13.307 1.00 3.23 H new ATOM 0 HG22 VAL A 617 5.727 1.518 11.730 1.00 3.23 H new ATOM 0 HG23 VAL A 617 5.374 -0.035 12.524 1.00 3.23 H new ATOM 864 N ASP A 618 7.257 1.234 8.642 1.00 24.21 N ATOM 865 CA ASP A 618 6.873 2.319 7.747 1.00 2.52 C ATOM 866 C ASP A 618 5.905 1.823 6.677 1.00 35.34 C ATOM 867 O ASP A 618 4.843 2.409 6.463 1.00 43.35 O ATOM 868 CB ASP A 618 8.111 2.930 7.090 1.00 74.51 C ATOM 869 CG ASP A 618 8.414 4.322 7.608 1.00 62.13 C ATOM 870 OD1 ASP A 618 8.680 4.458 8.820 1.00 13.42 O ATOM 871 OD2 ASP A 618 8.385 5.275 6.801 1.00 32.12 O ATOM 0 H ASP A 618 8.251 1.004 8.624 1.00 24.21 H new ATOM 0 HA ASP A 618 6.371 3.085 8.338 1.00 2.52 H new ATOM 0 HB2 ASP A 618 8.970 2.284 7.269 1.00 74.51 H new ATOM 0 HB3 ASP A 618 7.963 2.971 6.011 1.00 74.51 H new ATOM 875 N LEU A 619 6.281 0.741 6.003 1.00 64.40 N ATOM 876 CA LEU A 619 5.448 0.166 4.953 1.00 4.43 C ATOM 877 C LEU A 619 4.234 -0.543 5.547 1.00 53.11 C ATOM 878 O LEU A 619 3.135 -0.486 4.993 1.00 75.52 O ATOM 879 CB LEU A 619 6.262 -0.816 4.108 1.00 54.34 C ATOM 880 CG LEU A 619 6.957 -1.943 4.873 1.00 21.24 C ATOM 881 CD1 LEU A 619 6.059 -3.168 4.949 1.00 62.03 C ATOM 882 CD2 LEU A 619 8.285 -2.293 4.216 1.00 24.04 C ATOM 0 H LEU A 619 7.157 0.245 6.165 1.00 64.40 H new ATOM 0 HA LEU A 619 5.097 0.979 4.317 1.00 4.43 H new ATOM 0 HB2 LEU A 619 5.600 -1.262 3.366 1.00 54.34 H new ATOM 0 HB3 LEU A 619 7.019 -0.254 3.562 1.00 54.34 H new ATOM 0 HG LEU A 619 7.156 -1.599 5.888 1.00 21.24 H new ATOM 0 HD11 LEU A 619 6.570 -3.960 5.497 1.00 62.03 H new ATOM 0 HD12 LEU A 619 5.134 -2.909 5.464 1.00 62.03 H new ATOM 0 HD13 LEU A 619 5.829 -3.514 3.941 1.00 62.03 H new ATOM 0 HD21 LEU A 619 8.766 -3.097 4.773 1.00 24.04 H new ATOM 0 HD22 LEU A 619 8.109 -2.617 3.190 1.00 24.04 H new ATOM 0 HD23 LEU A 619 8.932 -1.416 4.213 1.00 24.04 H new ATOM 893 N LYS A 620 4.439 -1.208 6.678 1.00 51.12 N ATOM 894 CA LYS A 620 3.362 -1.925 7.350 1.00 41.05 C ATOM 895 C LYS A 620 2.311 -0.955 7.881 1.00 23.40 C ATOM 896 O LYS A 620 1.122 -1.269 7.910 1.00 44.03 O ATOM 897 CB LYS A 620 3.923 -2.766 8.500 1.00 10.53 C ATOM 898 CG LYS A 620 2.900 -3.700 9.124 1.00 5.23 C ATOM 899 CD LYS A 620 2.214 -3.059 10.318 1.00 44.22 C ATOM 900 CE LYS A 620 2.958 -3.353 11.612 1.00 53.30 C ATOM 901 NZ LYS A 620 2.230 -2.829 12.801 1.00 60.43 N ATOM 0 H LYS A 620 5.342 -1.266 7.149 1.00 51.12 H new ATOM 0 HA LYS A 620 2.888 -2.584 6.623 1.00 41.05 H new ATOM 0 HB2 LYS A 620 4.764 -3.354 8.133 1.00 10.53 H new ATOM 0 HB3 LYS A 620 4.312 -2.100 9.270 1.00 10.53 H new ATOM 0 HG2 LYS A 620 2.154 -3.974 8.378 1.00 5.23 H new ATOM 0 HG3 LYS A 620 3.391 -4.622 9.437 1.00 5.23 H new ATOM 0 HD2 LYS A 620 2.153 -1.981 10.169 1.00 44.22 H new ATOM 0 HD3 LYS A 620 1.191 -3.428 10.393 1.00 44.22 H new ATOM 0 HE2 LYS A 620 3.096 -4.429 11.715 1.00 53.30 H new ATOM 0 HE3 LYS A 620 3.952 -2.907 11.569 1.00 53.30 H new ATOM 0 HZ1 LYS A 620 2.769 -3.049 13.663 1.00 60.43 H new ATOM 0 HZ2 LYS A 620 2.121 -1.798 12.715 1.00 60.43 H new ATOM 0 HZ3 LYS A 620 1.291 -3.273 12.857 1.00 60.43 H new ATOM 911 N ASP A 621 2.759 0.224 8.298 1.00 3.33 N ATOM 912 CA ASP A 621 1.856 1.241 8.826 1.00 34.14 C ATOM 913 C ASP A 621 0.952 1.789 7.725 1.00 22.25 C ATOM 914 O ASP A 621 -0.265 1.869 7.888 1.00 43.40 O ATOM 915 CB ASP A 621 2.653 2.381 9.462 1.00 32.34 C ATOM 916 CG ASP A 621 1.760 3.425 10.101 1.00 72.30 C ATOM 917 OD1 ASP A 621 1.300 3.196 11.239 1.00 31.14 O ATOM 918 OD2 ASP A 621 1.519 4.472 9.463 1.00 74.23 O ATOM 0 H ASP A 621 3.741 0.499 8.281 1.00 3.33 H new ATOM 0 HA ASP A 621 1.231 0.776 9.588 1.00 34.14 H new ATOM 0 HB2 ASP A 621 3.327 1.973 10.215 1.00 32.34 H new ATOM 0 HB3 ASP A 621 3.274 2.855 8.702 1.00 32.34 H new ATOM 922 N LYS A 622 1.556 2.165 6.603 1.00 72.30 N ATOM 923 CA LYS A 622 0.808 2.706 5.474 1.00 64.23 C ATOM 924 C LYS A 622 -0.270 1.727 5.018 1.00 40.23 C ATOM 925 O LYS A 622 -1.405 2.120 4.752 1.00 1.31 O ATOM 926 CB LYS A 622 1.753 3.018 4.312 1.00 14.20 C ATOM 927 CG LYS A 622 1.422 4.314 3.591 1.00 72.53 C ATOM 928 CD LYS A 622 1.562 5.515 4.512 1.00 60.51 C ATOM 929 CE LYS A 622 2.226 6.686 3.803 1.00 24.15 C ATOM 930 NZ LYS A 622 3.684 6.757 4.096 1.00 31.10 N ATOM 0 H LYS A 622 2.563 2.105 6.451 1.00 72.30 H new ATOM 0 HA LYS A 622 0.325 3.628 5.798 1.00 64.23 H new ATOM 0 HB2 LYS A 622 2.774 3.072 4.689 1.00 14.20 H new ATOM 0 HB3 LYS A 622 1.721 2.196 3.597 1.00 14.20 H new ATOM 0 HG2 LYS A 622 2.083 4.433 2.733 1.00 72.53 H new ATOM 0 HG3 LYS A 622 0.404 4.267 3.205 1.00 72.53 H new ATOM 0 HD2 LYS A 622 0.578 5.816 4.871 1.00 60.51 H new ATOM 0 HD3 LYS A 622 2.150 5.237 5.387 1.00 60.51 H new ATOM 0 HE2 LYS A 622 2.076 6.592 2.728 1.00 24.15 H new ATOM 0 HE3 LYS A 622 1.748 7.616 4.111 1.00 24.15 H new ATOM 0 HZ1 LYS A 622 4.139 7.419 3.435 1.00 31.10 H new ATOM 0 HZ2 LYS A 622 3.826 7.089 5.071 1.00 31.10 H new ATOM 0 HZ3 LYS A 622 4.106 5.813 3.987 1.00 31.10 H new ATOM 940 N TRP A 623 0.093 0.452 4.932 1.00 12.33 N ATOM 941 CA TRP A 623 -0.844 -0.582 4.509 1.00 71.02 C ATOM 942 C TRP A 623 -1.986 -0.724 5.510 1.00 12.42 C ATOM 943 O TRP A 623 -3.154 -0.808 5.127 1.00 71.33 O ATOM 944 CB TRP A 623 -0.121 -1.920 4.349 1.00 71.41 C ATOM 945 CG TRP A 623 -1.051 -3.091 4.259 1.00 23.03 C ATOM 946 CD1 TRP A 623 -1.573 -3.806 5.300 1.00 51.43 C ATOM 947 CD2 TRP A 623 -1.568 -3.686 3.064 1.00 15.34 C ATOM 948 NE1 TRP A 623 -2.383 -4.808 4.823 1.00 10.40 N ATOM 949 CE2 TRP A 623 -2.397 -4.755 3.454 1.00 4.41 C ATOM 950 CE3 TRP A 623 -1.412 -3.418 1.701 1.00 54.44 C ATOM 951 CZ2 TRP A 623 -3.066 -5.555 2.531 1.00 52.43 C ATOM 952 CZ3 TRP A 623 -2.077 -4.212 0.786 1.00 34.33 C ATOM 953 CH2 TRP A 623 -2.896 -5.270 1.204 1.00 15.20 C ATOM 0 H TRP A 623 1.029 0.110 5.149 1.00 12.33 H new ATOM 0 HA TRP A 623 -1.263 -0.286 3.547 1.00 71.02 H new ATOM 0 HB2 TRP A 623 0.497 -1.886 3.451 1.00 71.41 H new ATOM 0 HB3 TRP A 623 0.552 -2.064 5.194 1.00 71.41 H new ATOM 0 HD1 TRP A 623 -1.378 -3.612 6.344 1.00 51.43 H new ATOM 0 HE1 TRP A 623 -2.891 -5.482 5.395 1.00 10.40 H new ATOM 0 HE3 TRP A 623 -0.783 -2.605 1.369 1.00 54.44 H new ATOM 0 HZ2 TRP A 623 -3.696 -6.371 2.851 1.00 52.43 H new ATOM 0 HZ3 TRP A 623 -1.964 -4.014 -0.270 1.00 34.33 H new ATOM 0 HH2 TRP A 623 -3.403 -5.872 0.464 1.00 15.20 H new ATOM 963 N LYS A 624 -1.642 -0.749 6.793 1.00 23.11 N ATOM 964 CA LYS A 624 -2.639 -0.879 7.850 1.00 71.21 C ATOM 965 C LYS A 624 -3.776 0.118 7.651 1.00 22.05 C ATOM 966 O LYS A 624 -4.950 -0.254 7.657 1.00 15.41 O ATOM 967 CB LYS A 624 -1.991 -0.664 9.219 1.00 73.20 C ATOM 968 CG LYS A 624 -2.659 -1.444 10.338 1.00 13.53 C ATOM 969 CD LYS A 624 -3.837 -0.681 10.923 1.00 65.43 C ATOM 970 CE LYS A 624 -4.262 -1.257 12.265 1.00 34.34 C ATOM 971 NZ LYS A 624 -3.301 -0.909 13.347 1.00 43.41 N ATOM 0 H LYS A 624 -0.680 -0.681 7.126 1.00 23.11 H new ATOM 0 HA LYS A 624 -3.052 -1.887 7.805 1.00 71.21 H new ATOM 0 HB2 LYS A 624 -0.941 -0.952 9.164 1.00 73.20 H new ATOM 0 HB3 LYS A 624 -2.018 0.398 9.462 1.00 73.20 H new ATOM 0 HG2 LYS A 624 -3.000 -2.407 9.958 1.00 13.53 H new ATOM 0 HG3 LYS A 624 -1.932 -1.651 11.123 1.00 13.53 H new ATOM 0 HD2 LYS A 624 -3.568 0.368 11.045 1.00 65.43 H new ATOM 0 HD3 LYS A 624 -4.676 -0.716 10.228 1.00 65.43 H new ATOM 0 HE2 LYS A 624 -5.252 -0.882 12.524 1.00 34.34 H new ATOM 0 HE3 LYS A 624 -4.343 -2.341 12.186 1.00 34.34 H new ATOM 0 HZ1 LYS A 624 -3.720 -1.139 14.271 1.00 43.41 H new ATOM 0 HZ2 LYS A 624 -2.423 -1.452 13.220 1.00 43.41 H new ATOM 0 HZ3 LYS A 624 -3.087 0.108 13.308 1.00 43.41 H new ATOM 981 N THR A 625 -3.421 1.387 7.474 1.00 70.44 N ATOM 982 CA THR A 625 -4.410 2.437 7.272 1.00 50.55 C ATOM 983 C THR A 625 -5.044 2.338 5.890 1.00 12.11 C ATOM 984 O THR A 625 -6.184 2.757 5.687 1.00 14.43 O ATOM 985 CB THR A 625 -3.788 3.835 7.442 1.00 54.30 C ATOM 986 OG1 THR A 625 -4.805 4.839 7.345 1.00 1.02 O ATOM 987 CG2 THR A 625 -2.721 4.083 6.386 1.00 53.31 C ATOM 0 H THR A 625 -2.454 1.712 7.467 1.00 70.44 H new ATOM 0 HA THR A 625 -5.179 2.296 8.031 1.00 50.55 H new ATOM 0 HB THR A 625 -3.322 3.885 8.426 1.00 54.30 H new ATOM 0 HG1 THR A 625 -5.486 4.682 8.032 1.00 1.02 H new ATOM 0 HG21 THR A 625 -2.295 5.077 6.525 1.00 53.31 H new ATOM 0 HG22 THR A 625 -1.934 3.335 6.481 1.00 53.31 H new ATOM 0 HG23 THR A 625 -3.168 4.016 5.394 1.00 53.31 H new ATOM 995 N LEU A 626 -4.299 1.782 4.941 1.00 62.34 N ATOM 996 CA LEU A 626 -4.788 1.628 3.576 1.00 31.43 C ATOM 997 C LEU A 626 -6.002 0.705 3.533 1.00 43.33 C ATOM 998 O LEU A 626 -7.063 1.081 3.037 1.00 2.43 O ATOM 999 CB LEU A 626 -3.681 1.074 2.676 1.00 51.22 C ATOM 1000 CG LEU A 626 -3.442 1.826 1.367 1.00 11.34 C ATOM 1001 CD1 LEU A 626 -2.341 1.158 0.560 1.00 74.23 C ATOM 1002 CD2 LEU A 626 -4.727 1.905 0.555 1.00 23.35 C ATOM 0 H LEU A 626 -3.354 1.430 5.092 1.00 62.34 H new ATOM 0 HA LEU A 626 -5.088 2.610 3.211 1.00 31.43 H new ATOM 0 HB2 LEU A 626 -2.750 1.066 3.242 1.00 51.22 H new ATOM 0 HB3 LEU A 626 -3.918 0.037 2.438 1.00 51.22 H new ATOM 0 HG LEU A 626 -3.124 2.840 1.607 1.00 11.34 H new ATOM 0 HD11 LEU A 626 -2.186 1.708 -0.368 1.00 74.23 H new ATOM 0 HD12 LEU A 626 -1.417 1.154 1.138 1.00 74.23 H new ATOM 0 HD13 LEU A 626 -2.630 0.132 0.330 1.00 74.23 H new ATOM 0 HD21 LEU A 626 -4.538 2.444 -0.374 1.00 23.35 H new ATOM 0 HD22 LEU A 626 -5.075 0.898 0.326 1.00 23.35 H new ATOM 0 HD23 LEU A 626 -5.489 2.430 1.130 1.00 23.35 H new ATOM 1013 N VAL A 627 -5.838 -0.505 4.060 1.00 70.44 N ATOM 1014 CA VAL A 627 -6.921 -1.481 4.086 1.00 53.42 C ATOM 1015 C VAL A 627 -8.118 -0.952 4.868 1.00 3.34 C ATOM 1016 O VAL A 627 -9.264 -1.080 4.432 1.00 61.25 O ATOM 1017 CB VAL A 627 -6.462 -2.813 4.709 1.00 15.21 C ATOM 1018 CG1 VAL A 627 -5.832 -2.574 6.073 1.00 23.03 C ATOM 1019 CG2 VAL A 627 -7.630 -3.781 4.813 1.00 40.01 C ATOM 0 H VAL A 627 -4.965 -0.832 4.475 1.00 70.44 H new ATOM 0 HA VAL A 627 -7.215 -1.656 3.051 1.00 53.42 H new ATOM 0 HB VAL A 627 -5.708 -3.259 4.060 1.00 15.21 H new ATOM 0 HG11 VAL A 627 -5.514 -3.526 6.498 1.00 23.03 H new ATOM 0 HG12 VAL A 627 -4.968 -1.918 5.965 1.00 23.03 H new ATOM 0 HG13 VAL A 627 -6.562 -2.107 6.734 1.00 23.03 H new ATOM 0 HG21 VAL A 627 -7.289 -4.717 5.255 1.00 40.01 H new ATOM 0 HG22 VAL A 627 -8.408 -3.346 5.440 1.00 40.01 H new ATOM 0 HG23 VAL A 627 -8.032 -3.975 3.818 1.00 40.01 H new ATOM 1029 N HIS A 628 -7.847 -0.357 6.024 1.00 54.52 N ATOM 1030 CA HIS A 628 -8.902 0.194 6.868 1.00 14.14 C ATOM 1031 C HIS A 628 -9.680 1.278 6.127 1.00 32.43 C ATOM 1032 O HIS A 628 -10.851 1.525 6.415 1.00 45.44 O ATOM 1033 CB HIS A 628 -8.310 0.765 8.156 1.00 34.23 C ATOM 1034 CG HIS A 628 -8.260 -0.222 9.282 1.00 15.14 C ATOM 1035 ND1 HIS A 628 -8.431 0.134 10.602 1.00 54.44 N ATOM 1036 CD2 HIS A 628 -8.060 -1.560 9.277 1.00 24.33 C ATOM 1037 CE1 HIS A 628 -8.336 -0.943 11.362 1.00 41.32 C ATOM 1038 NE2 HIS A 628 -8.112 -1.984 10.582 1.00 2.21 N ATOM 0 H HIS A 628 -6.905 -0.244 6.399 1.00 54.52 H new ATOM 0 HA HIS A 628 -9.589 -0.614 7.121 1.00 14.14 H new ATOM 0 HB2 HIS A 628 -7.301 1.125 7.954 1.00 34.23 H new ATOM 0 HB3 HIS A 628 -8.900 1.628 8.466 1.00 34.23 H new ATOM 0 HD2 HIS A 628 -7.891 -2.179 8.408 1.00 24.33 H new ATOM 0 HE1 HIS A 628 -8.426 -0.967 12.438 1.00 41.32 H new ATOM 0 HE2 HIS A 628 -7.996 -2.947 10.897 1.00 2.21 H new ATOM 1045 N THR A 629 -9.019 1.925 5.171 1.00 3.24 N ATOM 1046 CA THR A 629 -9.648 2.983 4.391 1.00 75.10 C ATOM 1047 C THR A 629 -10.573 2.407 3.326 1.00 22.02 C ATOM 1048 O THR A 629 -11.562 3.032 2.944 1.00 11.31 O ATOM 1049 CB THR A 629 -8.595 3.879 3.709 1.00 64.22 C ATOM 1050 OG1 THR A 629 -7.933 4.688 4.688 1.00 44.01 O ATOM 1051 CG2 THR A 629 -9.241 4.771 2.660 1.00 43.21 C ATOM 0 H THR A 629 -8.049 1.734 4.919 1.00 3.24 H new ATOM 0 HA THR A 629 -10.232 3.584 5.088 1.00 75.10 H new ATOM 0 HB THR A 629 -7.866 3.235 3.216 1.00 64.22 H new ATOM 0 HG1 THR A 629 -7.249 4.155 5.144 1.00 44.01 H new ATOM 0 HG21 THR A 629 -8.478 5.394 2.193 1.00 43.21 H new ATOM 0 HG22 THR A 629 -9.719 4.152 1.901 1.00 43.21 H new ATOM 0 HG23 THR A 629 -9.989 5.407 3.134 1.00 43.21 H new ATOM 1059 N ALA A 630 -10.247 1.209 2.850 1.00 34.30 N ATOM 1060 CA ALA A 630 -11.050 0.547 1.830 1.00 1.51 C ATOM 1061 C ALA A 630 -12.515 0.469 2.250 1.00 54.53 C ATOM 1062 O ALA A 630 -13.411 0.806 1.477 1.00 64.34 O ATOM 1063 CB ALA A 630 -10.506 -0.845 1.551 1.00 22.55 C ATOM 0 H ALA A 630 -9.432 0.677 3.155 1.00 34.30 H new ATOM 0 HA ALA A 630 -10.991 1.138 0.916 1.00 1.51 H new ATOM 0 HB1 ALA A 630 -11.116 -1.328 0.787 1.00 22.55 H new ATOM 0 HB2 ALA A 630 -9.477 -0.770 1.200 1.00 22.55 H new ATOM 0 HB3 ALA A 630 -10.535 -1.437 2.466 1.00 22.55 H new ATOM 1069 N SER A 631 -12.749 0.024 3.481 1.00 52.43 N ATOM 1070 CA SER A 631 -14.105 -0.102 4.002 1.00 12.40 C ATOM 1071 C SER A 631 -14.103 -0.800 5.359 1.00 20.22 C ATOM 1072 O SER A 631 -14.592 -1.922 5.491 1.00 4.32 O ATOM 1073 CB SER A 631 -14.983 -0.876 3.018 1.00 1.32 C ATOM 1074 OG SER A 631 -15.751 0.006 2.216 1.00 20.51 O ATOM 0 H SER A 631 -12.018 -0.255 4.135 1.00 52.43 H new ATOM 0 HA SER A 631 -14.513 0.901 4.130 1.00 12.40 H new ATOM 0 HB2 SER A 631 -14.357 -1.500 2.380 1.00 1.32 H new ATOM 0 HB3 SER A 631 -15.646 -1.545 3.566 1.00 1.32 H new ATOM 0 HG SER A 631 -15.152 0.579 1.693 1.00 20.51 H new ATOM 1079 N ILE A 632 -13.549 -0.129 6.362 1.00 11.32 N ATOM 1080 CA ILE A 632 -13.484 -0.685 7.708 1.00 0.30 C ATOM 1081 C ILE A 632 -13.985 0.319 8.742 1.00 62.43 C ATOM 1082 O ILE A 632 -15.082 0.174 9.281 1.00 32.31 O ATOM 1083 CB ILE A 632 -12.049 -1.108 8.074 1.00 10.13 C ATOM 1084 CG1 ILE A 632 -11.674 -2.400 7.346 1.00 34.41 C ATOM 1085 CG2 ILE A 632 -11.916 -1.283 9.579 1.00 23.42 C ATOM 1086 CD1 ILE A 632 -11.436 -2.211 5.863 1.00 71.33 C ATOM 0 H ILE A 632 -13.139 0.800 6.269 1.00 11.32 H new ATOM 0 HA ILE A 632 -14.127 -1.565 7.717 1.00 0.30 H new ATOM 0 HB ILE A 632 -11.362 -0.323 7.758 1.00 10.13 H new ATOM 0 HG12 ILE A 632 -10.774 -2.815 7.800 1.00 34.41 H new ATOM 0 HG13 ILE A 632 -12.470 -3.131 7.488 1.00 34.41 H new ATOM 0 HG21 ILE A 632 -10.896 -1.582 9.822 1.00 23.42 H new ATOM 0 HG22 ILE A 632 -12.146 -0.341 10.077 1.00 23.42 H new ATOM 0 HG23 ILE A 632 -12.610 -2.052 9.919 1.00 23.42 H new ATOM 0 HD11 ILE A 632 -11.174 -3.168 5.412 1.00 71.33 H new ATOM 0 HD12 ILE A 632 -12.342 -1.825 5.395 1.00 71.33 H new ATOM 0 HD13 ILE A 632 -10.620 -1.504 5.713 1.00 71.33 H new ATOM 1097 N ALA A 633 -13.174 1.335 9.013 1.00 55.40 N ATOM 1098 CA ALA A 633 -13.536 2.365 9.979 1.00 31.41 C ATOM 1099 C ALA A 633 -13.982 3.644 9.278 1.00 34.33 C ATOM 1100 O ALA A 633 -13.403 4.065 8.276 1.00 22.25 O ATOM 1101 CB ALA A 633 -12.366 2.652 10.909 1.00 32.03 C ATOM 0 H ALA A 633 -12.261 1.467 8.577 1.00 55.40 H new ATOM 0 HA ALA A 633 -14.374 1.994 10.570 1.00 31.41 H new ATOM 0 HB1 ALA A 633 -12.651 3.423 11.625 1.00 32.03 H new ATOM 0 HB2 ALA A 633 -12.095 1.742 11.444 1.00 32.03 H new ATOM 0 HB3 ALA A 633 -11.513 2.997 10.325 1.00 32.03 H new ATOM 1107 N PRO A 634 -15.037 4.277 9.813 1.00 72.34 N ATOM 1108 CA PRO A 634 -15.583 5.517 9.254 1.00 72.40 C ATOM 1109 C PRO A 634 -14.646 6.704 9.449 1.00 40.15 C ATOM 1110 O PRO A 634 -14.507 7.547 8.565 1.00 72.43 O ATOM 1111 CB PRO A 634 -16.879 5.721 10.044 1.00 73.45 C ATOM 1112 CG PRO A 634 -16.652 5.009 11.332 1.00 63.34 C ATOM 1113 CD PRO A 634 -15.775 3.832 11.006 1.00 62.23 C ATOM 0 HA PRO A 634 -15.731 5.448 8.176 1.00 72.40 H new ATOM 0 HB2 PRO A 634 -17.081 6.780 10.207 1.00 73.45 H new ATOM 0 HB3 PRO A 634 -17.737 5.311 9.511 1.00 73.45 H new ATOM 0 HG2 PRO A 634 -16.172 5.663 12.060 1.00 63.34 H new ATOM 0 HG3 PRO A 634 -17.596 4.683 11.769 1.00 63.34 H new ATOM 0 HD2 PRO A 634 -15.102 3.592 11.829 1.00 62.23 H new ATOM 0 HD3 PRO A 634 -16.363 2.937 10.804 1.00 62.23 H new ATOM 1118 N GLN A 635 -14.008 6.762 10.614 1.00 21.42 N ATOM 1119 CA GLN A 635 -13.084 7.847 10.924 1.00 44.13 C ATOM 1120 C GLN A 635 -11.781 7.691 10.149 1.00 34.44 C ATOM 1121 O GLN A 635 -10.976 8.620 10.078 1.00 21.53 O ATOM 1122 CB GLN A 635 -12.795 7.884 12.426 1.00 64.23 C ATOM 1123 CG GLN A 635 -12.178 6.601 12.960 1.00 15.42 C ATOM 1124 CD GLN A 635 -11.817 6.694 14.428 1.00 62.03 C ATOM 1125 OE1 GLN A 635 -11.133 7.625 14.854 1.00 73.10 O ATOM 1126 NE2 GLN A 635 -12.276 5.726 15.214 1.00 60.33 N ATOM 0 H GLN A 635 -14.114 6.072 11.357 1.00 21.42 H new ATOM 0 HA GLN A 635 -13.552 8.785 10.627 1.00 44.13 H new ATOM 0 HB2 GLN A 635 -12.123 8.716 12.638 1.00 64.23 H new ATOM 0 HB3 GLN A 635 -13.724 8.081 12.961 1.00 64.23 H new ATOM 0 HG2 GLN A 635 -12.877 5.778 12.813 1.00 15.42 H new ATOM 0 HG3 GLN A 635 -11.283 6.366 12.384 1.00 15.42 H new ATOM 0 HE21 GLN A 635 -12.840 4.973 14.820 1.00 60.33 H new ATOM 0 HE22 GLN A 635 -12.065 5.736 16.212 1.00 60.33 H new ATOM 1133 N GLN A 636 -11.581 6.513 9.567 1.00 22.12 N ATOM 1134 CA GLN A 636 -10.375 6.238 8.796 1.00 63.43 C ATOM 1135 C GLN A 636 -10.482 6.819 7.390 1.00 13.20 C ATOM 1136 O GLN A 636 -9.475 7.175 6.777 1.00 24.31 O ATOM 1137 CB GLN A 636 -10.126 4.730 8.719 1.00 5.22 C ATOM 1138 CG GLN A 636 -9.541 4.144 9.993 1.00 63.04 C ATOM 1139 CD GLN A 636 -8.152 4.673 10.294 1.00 25.22 C ATOM 1140 OE1 GLN A 636 -7.312 4.788 9.401 1.00 30.15 O ATOM 1141 NE2 GLN A 636 -7.902 4.996 11.558 1.00 12.13 N ATOM 0 H GLN A 636 -12.238 5.734 9.615 1.00 22.12 H new ATOM 0 HA GLN A 636 -9.535 6.713 9.303 1.00 63.43 H new ATOM 0 HB2 GLN A 636 -11.066 4.226 8.496 1.00 5.22 H new ATOM 0 HB3 GLN A 636 -9.449 4.524 7.890 1.00 5.22 H new ATOM 0 HG2 GLN A 636 -10.202 4.371 10.830 1.00 63.04 H new ATOM 0 HG3 GLN A 636 -9.501 3.058 9.904 1.00 63.04 H new ATOM 0 HE21 GLN A 636 -8.628 4.885 12.266 1.00 12.13 H new ATOM 0 HE22 GLN A 636 -6.984 5.355 11.821 1.00 12.13 H new ATOM 1148 N ARG A 637 -11.708 6.912 6.886 1.00 34.23 N ATOM 1149 CA ARG A 637 -11.946 7.449 5.551 1.00 53.02 C ATOM 1150 C ARG A 637 -12.028 8.973 5.585 1.00 63.21 C ATOM 1151 O ARG A 637 -12.950 9.542 6.167 1.00 2.55 O ATOM 1152 CB ARG A 637 -13.237 6.871 4.969 1.00 60.11 C ATOM 1153 CG ARG A 637 -13.417 7.154 3.486 1.00 51.04 C ATOM 1154 CD ARG A 637 -14.204 6.050 2.799 1.00 71.14 C ATOM 1155 NE ARG A 637 -15.514 5.849 3.413 1.00 20.44 N ATOM 1156 CZ ARG A 637 -16.309 4.824 3.128 1.00 3.31 C ATOM 1157 NH1 ARG A 637 -15.929 3.910 2.245 1.00 55.12 N ATOM 1158 NH2 ARG A 637 -17.487 4.710 3.727 1.00 1.23 N ATOM 0 H ARG A 637 -12.552 6.623 7.381 1.00 34.23 H new ATOM 0 HA ARG A 637 -11.108 7.161 4.916 1.00 53.02 H new ATOM 0 HB2 ARG A 637 -13.246 5.793 5.128 1.00 60.11 H new ATOM 0 HB3 ARG A 637 -14.087 7.281 5.514 1.00 60.11 H new ATOM 0 HG2 ARG A 637 -13.933 8.105 3.356 1.00 51.04 H new ATOM 0 HG3 ARG A 637 -12.440 7.254 3.013 1.00 51.04 H new ATOM 0 HD2 ARG A 637 -14.332 6.298 1.745 1.00 71.14 H new ATOM 0 HD3 ARG A 637 -13.637 5.120 2.842 1.00 71.14 H new ATOM 0 HE ARG A 637 -15.836 6.533 4.098 1.00 20.44 H new ATOM 0 HH11 ARG A 637 -15.024 3.993 1.783 1.00 55.12 H new ATOM 0 HH12 ARG A 637 -16.542 3.124 2.029 1.00 55.12 H new ATOM 0 HH21 ARG A 637 -17.783 5.410 4.407 1.00 1.23 H new ATOM 0 HH22 ARG A 637 -18.097 3.922 3.507 1.00 1.23 H new ATOM 1169 N ARG A 638 -11.055 9.626 4.958 1.00 4.24 N ATOM 1170 CA ARG A 638 -11.016 11.083 4.917 1.00 11.44 C ATOM 1171 C ARG A 638 -9.788 11.573 4.156 1.00 2.12 C ATOM 1172 O ARG A 638 -9.090 10.789 3.514 1.00 74.12 O ATOM 1173 CB ARG A 638 -11.010 11.654 6.337 1.00 22.22 C ATOM 1174 CG ARG A 638 -12.014 12.775 6.546 1.00 44.22 C ATOM 1175 CD ARG A 638 -11.340 14.039 7.056 1.00 30.22 C ATOM 1176 NE ARG A 638 -12.182 14.765 8.003 1.00 32.31 N ATOM 1177 CZ ARG A 638 -13.300 15.394 7.659 1.00 13.23 C ATOM 1178 NH1 ARG A 638 -13.709 15.387 6.398 1.00 70.51 N ATOM 1179 NH2 ARG A 638 -14.013 16.033 8.578 1.00 74.13 N ATOM 0 H ARG A 638 -10.283 9.169 4.472 1.00 4.24 H new ATOM 0 HA ARG A 638 -11.908 11.431 4.396 1.00 11.44 H new ATOM 0 HB2 ARG A 638 -11.222 10.851 7.043 1.00 22.22 H new ATOM 0 HB3 ARG A 638 -10.011 12.025 6.566 1.00 22.22 H new ATOM 0 HG2 ARG A 638 -12.525 12.987 5.607 1.00 44.22 H new ATOM 0 HG3 ARG A 638 -12.775 12.455 7.257 1.00 44.22 H new ATOM 0 HD2 ARG A 638 -10.397 13.778 7.536 1.00 30.22 H new ATOM 0 HD3 ARG A 638 -11.100 14.687 6.213 1.00 30.22 H new ATOM 0 HE ARG A 638 -11.896 14.790 8.982 1.00 32.31 H new ATOM 0 HH11 ARG A 638 -13.165 14.897 5.688 1.00 70.51 H new ATOM 0 HH12 ARG A 638 -14.568 15.871 6.138 1.00 70.51 H new ATOM 0 HH21 ARG A 638 -13.702 16.041 9.550 1.00 74.13 H new ATOM 0 HH22 ARG A 638 -14.871 16.516 8.313 1.00 74.13 H new ATOM 1190 N GLY A 639 -9.532 12.875 4.231 1.00 33.23 N ATOM 1191 CA GLY A 639 -8.389 13.448 3.544 1.00 71.21 C ATOM 1192 C GLY A 639 -8.519 13.368 2.036 1.00 13.32 C ATOM 1193 O GLY A 639 -9.623 13.232 1.508 1.00 64.14 O ATOM 0 H GLY A 639 -10.096 13.544 4.755 1.00 33.23 H new ATOM 0 HA2 GLY A 639 -8.276 14.491 3.841 1.00 71.21 H new ATOM 0 HA3 GLY A 639 -7.483 12.928 3.856 1.00 71.21 H new ATOM 1197 N GLU A 640 -7.390 13.454 1.340 1.00 74.14 N ATOM 1198 CA GLU A 640 -7.384 13.394 -0.117 1.00 52.21 C ATOM 1199 C GLU A 640 -8.143 12.167 -0.614 1.00 43.41 C ATOM 1200 O GLU A 640 -8.251 11.151 0.075 1.00 75.41 O ATOM 1201 CB GLU A 640 -5.948 13.366 -0.643 1.00 41.23 C ATOM 1202 CG GLU A 640 -5.265 12.019 -0.475 1.00 71.21 C ATOM 1203 CD GLU A 640 -5.120 11.616 0.980 1.00 52.41 C ATOM 1204 OE1 GLU A 640 -4.854 12.504 1.818 1.00 3.43 O ATOM 1205 OE2 GLU A 640 -5.272 10.414 1.281 1.00 42.34 O ATOM 0 H GLU A 640 -6.468 13.565 1.761 1.00 74.14 H new ATOM 0 HA GLU A 640 -7.884 14.287 -0.494 1.00 52.21 H new ATOM 0 HB2 GLU A 640 -5.952 13.633 -1.700 1.00 41.23 H new ATOM 0 HB3 GLU A 640 -5.365 14.127 -0.124 1.00 41.23 H new ATOM 0 HG2 GLU A 640 -5.838 11.257 -1.004 1.00 71.21 H new ATOM 0 HG3 GLU A 640 -4.279 12.055 -0.938 1.00 71.21 H new ATOM 1210 N PRO A 641 -8.685 12.261 -1.836 1.00 14.34 N ATOM 1211 CA PRO A 641 -9.444 11.169 -2.454 1.00 71.14 C ATOM 1212 C PRO A 641 -8.557 9.988 -2.830 1.00 63.12 C ATOM 1213 O PRO A 641 -7.603 10.133 -3.595 1.00 1.40 O ATOM 1214 CB PRO A 641 -10.037 11.814 -3.709 1.00 41.02 C ATOM 1215 CG PRO A 641 -9.111 12.935 -4.032 1.00 3.22 C ATOM 1216 CD PRO A 641 -8.597 13.442 -2.713 1.00 42.02 C ATOM 0 HA PRO A 641 -10.192 10.758 -1.776 1.00 71.14 H new ATOM 0 HB2 PRO A 641 -10.096 11.100 -4.531 1.00 41.02 H new ATOM 0 HB3 PRO A 641 -11.049 12.176 -3.528 1.00 41.02 H new ATOM 0 HG2 PRO A 641 -8.292 12.594 -4.665 1.00 3.22 H new ATOM 0 HG3 PRO A 641 -9.629 13.724 -4.578 1.00 3.22 H new ATOM 0 HD2 PRO A 641 -7.573 13.807 -2.794 1.00 42.02 H new ATOM 0 HD3 PRO A 641 -9.201 14.268 -2.337 1.00 42.02 H new ATOM 1221 N VAL A 642 -8.878 8.817 -2.288 1.00 62.35 N ATOM 1222 CA VAL A 642 -8.110 7.608 -2.568 1.00 55.43 C ATOM 1223 C VAL A 642 -8.745 6.803 -3.696 1.00 51.41 C ATOM 1224 O VAL A 642 -9.966 6.661 -3.779 1.00 70.53 O ATOM 1225 CB VAL A 642 -7.992 6.716 -1.319 1.00 41.23 C ATOM 1226 CG1 VAL A 642 -7.459 7.516 -0.139 1.00 20.10 C ATOM 1227 CG2 VAL A 642 -9.336 6.089 -0.984 1.00 43.42 C ATOM 0 H VAL A 642 -9.664 8.680 -1.653 1.00 62.35 H new ATOM 0 HA VAL A 642 -7.113 7.929 -2.871 1.00 55.43 H new ATOM 0 HB VAL A 642 -7.285 5.914 -1.532 1.00 41.23 H new ATOM 0 HG11 VAL A 642 -7.383 6.869 0.735 1.00 20.10 H new ATOM 0 HG12 VAL A 642 -6.474 7.913 -0.384 1.00 20.10 H new ATOM 0 HG13 VAL A 642 -8.138 8.340 0.078 1.00 20.10 H new ATOM 0 HG21 VAL A 642 -9.234 5.462 -0.098 1.00 43.42 H new ATOM 0 HG22 VAL A 642 -10.066 6.875 -0.790 1.00 43.42 H new ATOM 0 HG23 VAL A 642 -9.673 5.480 -1.823 1.00 43.42 H new ATOM 1237 N PRO A 643 -7.901 6.263 -4.586 1.00 42.14 N ATOM 1238 CA PRO A 643 -8.357 5.461 -5.724 1.00 21.45 C ATOM 1239 C PRO A 643 -8.923 4.111 -5.295 1.00 53.03 C ATOM 1240 O PRO A 643 -8.283 3.370 -4.549 1.00 55.53 O ATOM 1241 CB PRO A 643 -7.086 5.268 -6.555 1.00 33.31 C ATOM 1242 CG PRO A 643 -5.970 5.396 -5.575 1.00 13.25 C ATOM 1243 CD PRO A 643 -6.434 6.391 -4.548 1.00 13.55 C ATOM 0 HA PRO A 643 -9.167 5.949 -6.266 1.00 21.45 H new ATOM 0 HB2 PRO A 643 -7.076 4.293 -7.042 1.00 33.31 H new ATOM 0 HB3 PRO A 643 -7.010 6.018 -7.342 1.00 33.31 H new ATOM 0 HG2 PRO A 643 -5.744 4.435 -5.113 1.00 13.25 H new ATOM 0 HG3 PRO A 643 -5.058 5.737 -6.065 1.00 13.25 H new ATOM 0 HD2 PRO A 643 -6.036 6.163 -3.559 1.00 13.55 H new ATOM 0 HD3 PRO A 643 -6.113 7.403 -4.795 1.00 13.55 H new ATOM 1248 N GLN A 644 -10.123 3.800 -5.771 1.00 5.35 N ATOM 1249 CA GLN A 644 -10.774 2.540 -5.434 1.00 5.01 C ATOM 1250 C GLN A 644 -9.955 1.354 -5.935 1.00 2.32 C ATOM 1251 O GLN A 644 -10.135 0.225 -5.477 1.00 10.43 O ATOM 1252 CB GLN A 644 -12.182 2.491 -6.032 1.00 35.44 C ATOM 1253 CG GLN A 644 -12.982 1.272 -5.606 1.00 10.45 C ATOM 1254 CD GLN A 644 -14.331 1.189 -6.296 1.00 61.44 C ATOM 1255 OE1 GLN A 644 -14.793 2.157 -6.900 1.00 51.05 O ATOM 1256 NE2 GLN A 644 -14.968 0.027 -6.210 1.00 14.03 N ATOM 0 H GLN A 644 -10.664 4.402 -6.391 1.00 5.35 H new ATOM 0 HA GLN A 644 -10.846 2.477 -4.348 1.00 5.01 H new ATOM 0 HB2 GLN A 644 -12.723 3.391 -5.740 1.00 35.44 H new ATOM 0 HB3 GLN A 644 -12.106 2.504 -7.119 1.00 35.44 H new ATOM 0 HG2 GLN A 644 -12.409 0.371 -5.826 1.00 10.45 H new ATOM 0 HG3 GLN A 644 -13.131 1.299 -4.527 1.00 10.45 H new ATOM 0 HE21 GLN A 644 -14.547 -0.749 -5.699 1.00 14.03 H new ATOM 0 HE22 GLN A 644 -15.878 -0.090 -6.655 1.00 14.03 H new ATOM 1263 N ASP A 645 -9.058 1.617 -6.877 1.00 55.12 N ATOM 1264 CA ASP A 645 -8.210 0.572 -7.439 1.00 30.04 C ATOM 1265 C ASP A 645 -7.259 0.017 -6.384 1.00 22.43 C ATOM 1266 O ASP A 645 -7.051 -1.195 -6.296 1.00 54.31 O ATOM 1267 CB ASP A 645 -7.414 1.115 -8.627 1.00 5.21 C ATOM 1268 CG ASP A 645 -6.618 0.035 -9.333 1.00 62.25 C ATOM 1269 OD1 ASP A 645 -7.085 -1.122 -9.363 1.00 2.40 O ATOM 1270 OD2 ASP A 645 -5.526 0.348 -9.854 1.00 64.13 O ATOM 0 H ASP A 645 -8.898 2.545 -7.268 1.00 55.12 H new ATOM 0 HA ASP A 645 -8.854 -0.238 -7.783 1.00 30.04 H new ATOM 0 HB2 ASP A 645 -8.098 1.581 -9.337 1.00 5.21 H new ATOM 0 HB3 ASP A 645 -6.735 1.894 -8.280 1.00 5.21 H new ATOM 1274 N LEU A 646 -6.683 0.909 -5.586 1.00 34.44 N ATOM 1275 CA LEU A 646 -5.751 0.509 -4.538 1.00 44.44 C ATOM 1276 C LEU A 646 -6.493 -0.126 -3.365 1.00 31.41 C ATOM 1277 O LEU A 646 -6.120 -1.200 -2.890 1.00 61.22 O ATOM 1278 CB LEU A 646 -4.949 1.717 -4.053 1.00 13.12 C ATOM 1279 CG LEU A 646 -4.068 2.402 -5.099 1.00 1.25 C ATOM 1280 CD1 LEU A 646 -3.160 3.430 -4.443 1.00 73.21 C ATOM 1281 CD2 LEU A 646 -3.248 1.372 -5.862 1.00 41.24 C ATOM 0 H LEU A 646 -6.845 1.914 -5.645 1.00 34.44 H new ATOM 0 HA LEU A 646 -5.067 -0.229 -4.956 1.00 44.44 H new ATOM 0 HB2 LEU A 646 -5.646 2.455 -3.655 1.00 13.12 H new ATOM 0 HB3 LEU A 646 -4.315 1.398 -3.226 1.00 13.12 H new ATOM 0 HG LEU A 646 -4.714 2.920 -5.808 1.00 1.25 H new ATOM 0 HD11 LEU A 646 -2.541 3.907 -5.203 1.00 73.21 H new ATOM 0 HD12 LEU A 646 -3.767 4.185 -3.943 1.00 73.21 H new ATOM 0 HD13 LEU A 646 -2.520 2.936 -3.711 1.00 73.21 H new ATOM 0 HD21 LEU A 646 -2.627 1.877 -6.602 1.00 41.24 H new ATOM 0 HD22 LEU A 646 -2.611 0.826 -5.166 1.00 41.24 H new ATOM 0 HD23 LEU A 646 -3.917 0.674 -6.365 1.00 41.24 H new ATOM 1292 N LEU A 647 -7.544 0.542 -2.905 1.00 3.30 N ATOM 1293 CA LEU A 647 -8.340 0.041 -1.790 1.00 52.23 C ATOM 1294 C LEU A 647 -8.824 -1.380 -2.060 1.00 31.33 C ATOM 1295 O LEU A 647 -8.811 -2.231 -1.170 1.00 1.11 O ATOM 1296 CB LEU A 647 -9.537 0.960 -1.538 1.00 0.32 C ATOM 1297 CG LEU A 647 -9.208 2.376 -1.065 1.00 13.53 C ATOM 1298 CD1 LEU A 647 -10.482 3.137 -0.733 1.00 10.32 C ATOM 1299 CD2 LEU A 647 -8.281 2.333 0.140 1.00 41.04 C ATOM 0 H LEU A 647 -7.865 1.432 -3.286 1.00 3.30 H new ATOM 0 HA LEU A 647 -7.707 0.027 -0.903 1.00 52.23 H new ATOM 0 HB2 LEU A 647 -10.115 1.031 -2.459 1.00 0.32 H new ATOM 0 HB3 LEU A 647 -10.180 0.490 -0.794 1.00 0.32 H new ATOM 0 HG LEU A 647 -8.697 2.899 -1.873 1.00 13.53 H new ATOM 0 HD11 LEU A 647 -10.228 4.143 -0.398 1.00 10.32 H new ATOM 0 HD12 LEU A 647 -11.111 3.198 -1.621 1.00 10.32 H new ATOM 0 HD13 LEU A 647 -11.021 2.616 0.058 1.00 10.32 H new ATOM 0 HD21 LEU A 647 -8.057 3.350 0.463 1.00 41.04 H new ATOM 0 HD22 LEU A 647 -8.766 1.792 0.953 1.00 41.04 H new ATOM 0 HD23 LEU A 647 -7.355 1.826 -0.131 1.00 41.04 H new ATOM 1310 N ASP A 648 -9.247 -1.631 -3.294 1.00 11.42 N ATOM 1311 CA ASP A 648 -9.732 -2.950 -3.684 1.00 55.24 C ATOM 1312 C ASP A 648 -8.614 -3.985 -3.602 1.00 54.42 C ATOM 1313 O ASP A 648 -8.786 -5.053 -3.014 1.00 54.04 O ATOM 1314 CB ASP A 648 -10.304 -2.909 -5.101 1.00 34.41 C ATOM 1315 CG ASP A 648 -10.939 -4.224 -5.508 1.00 61.32 C ATOM 1316 OD1 ASP A 648 -10.212 -5.099 -6.021 1.00 21.11 O ATOM 1317 OD2 ASP A 648 -12.164 -4.377 -5.313 1.00 70.30 O ATOM 0 H ASP A 648 -9.264 -0.938 -4.042 1.00 11.42 H new ATOM 0 HA ASP A 648 -10.522 -3.239 -2.991 1.00 55.24 H new ATOM 0 HB2 ASP A 648 -11.047 -2.114 -5.167 1.00 34.41 H new ATOM 0 HB3 ASP A 648 -9.509 -2.660 -5.804 1.00 34.41 H new ATOM 1321 N ARG A 649 -7.471 -3.662 -4.197 1.00 13.03 N ATOM 1322 CA ARG A 649 -6.326 -4.564 -4.194 1.00 72.31 C ATOM 1323 C ARG A 649 -5.834 -4.813 -2.771 1.00 25.41 C ATOM 1324 O ARG A 649 -5.464 -5.933 -2.419 1.00 63.04 O ATOM 1325 CB ARG A 649 -5.192 -3.987 -5.044 1.00 1.31 C ATOM 1326 CG ARG A 649 -5.411 -4.145 -6.539 1.00 11.14 C ATOM 1327 CD ARG A 649 -5.338 -5.603 -6.963 1.00 45.31 C ATOM 1328 NE ARG A 649 -4.062 -5.926 -7.597 1.00 42.35 N ATOM 1329 CZ ARG A 649 -3.819 -7.076 -8.215 1.00 33.14 C ATOM 1330 NH1 ARG A 649 -4.760 -8.007 -8.285 1.00 43.35 N ATOM 1331 NH2 ARG A 649 -2.633 -7.296 -8.767 1.00 21.13 N ATOM 0 H ARG A 649 -7.313 -2.782 -4.688 1.00 13.03 H new ATOM 0 HA ARG A 649 -6.643 -5.515 -4.622 1.00 72.31 H new ATOM 0 HB2 ARG A 649 -5.078 -2.928 -4.812 1.00 1.31 H new ATOM 0 HB3 ARG A 649 -4.258 -4.476 -4.768 1.00 1.31 H new ATOM 0 HG2 ARG A 649 -6.384 -3.735 -6.810 1.00 11.14 H new ATOM 0 HG3 ARG A 649 -4.660 -3.570 -7.080 1.00 11.14 H new ATOM 0 HD2 ARG A 649 -5.481 -6.242 -6.091 1.00 45.31 H new ATOM 0 HD3 ARG A 649 -6.152 -5.820 -7.655 1.00 45.31 H new ATOM 0 HE ARG A 649 -3.317 -5.230 -7.563 1.00 42.35 H new ATOM 0 HH11 ARG A 649 -5.674 -7.841 -7.863 1.00 43.35 H new ATOM 0 HH12 ARG A 649 -4.570 -8.889 -8.760 1.00 43.35 H new ATOM 0 HH21 ARG A 649 -1.907 -6.582 -8.717 1.00 21.13 H new ATOM 0 HH22 ARG A 649 -2.447 -8.180 -9.241 1.00 21.13 H new ATOM 1342 N VAL A 650 -5.832 -3.762 -1.959 1.00 62.14 N ATOM 1343 CA VAL A 650 -5.386 -3.866 -0.575 1.00 52.12 C ATOM 1344 C VAL A 650 -6.216 -4.888 0.194 1.00 40.32 C ATOM 1345 O VAL A 650 -5.673 -5.785 0.841 1.00 10.33 O ATOM 1346 CB VAL A 650 -5.469 -2.507 0.146 1.00 63.23 C ATOM 1347 CG1 VAL A 650 -5.168 -2.668 1.628 1.00 25.52 C ATOM 1348 CG2 VAL A 650 -4.518 -1.507 -0.494 1.00 61.03 C ATOM 0 H VAL A 650 -6.134 -2.828 -2.235 1.00 62.14 H new ATOM 0 HA VAL A 650 -4.346 -4.192 -0.601 1.00 52.12 H new ATOM 0 HB VAL A 650 -6.485 -2.124 0.047 1.00 63.23 H new ATOM 0 HG11 VAL A 650 -5.232 -1.697 2.120 1.00 25.52 H new ATOM 0 HG12 VAL A 650 -5.892 -3.349 2.075 1.00 25.52 H new ATOM 0 HG13 VAL A 650 -4.164 -3.073 1.753 1.00 25.52 H new ATOM 0 HG21 VAL A 650 -4.589 -0.552 0.027 1.00 61.03 H new ATOM 0 HG22 VAL A 650 -3.497 -1.882 -0.427 1.00 61.03 H new ATOM 0 HG23 VAL A 650 -4.786 -1.369 -1.542 1.00 61.03 H new ATOM 1358 N LEU A 651 -7.535 -4.747 0.121 1.00 20.04 N ATOM 1359 CA LEU A 651 -8.442 -5.658 0.810 1.00 30.03 C ATOM 1360 C LEU A 651 -8.269 -7.085 0.302 1.00 64.53 C ATOM 1361 O LEU A 651 -8.556 -8.048 1.013 1.00 43.30 O ATOM 1362 CB LEU A 651 -9.891 -5.209 0.618 1.00 14.31 C ATOM 1363 CG LEU A 651 -10.418 -4.191 1.630 1.00 31.44 C ATOM 1364 CD1 LEU A 651 -11.822 -3.743 1.255 1.00 43.42 C ATOM 1365 CD2 LEU A 651 -10.400 -4.777 3.034 1.00 2.25 C ATOM 0 H LEU A 651 -8.000 -4.010 -0.409 1.00 20.04 H new ATOM 0 HA LEU A 651 -8.200 -5.638 1.873 1.00 30.03 H new ATOM 0 HB2 LEU A 651 -9.989 -4.783 -0.380 1.00 14.31 H new ATOM 0 HB3 LEU A 651 -10.531 -6.091 0.653 1.00 14.31 H new ATOM 0 HG LEU A 651 -9.764 -3.319 1.613 1.00 31.44 H new ATOM 0 HD11 LEU A 651 -12.180 -3.019 1.987 1.00 43.42 H new ATOM 0 HD12 LEU A 651 -11.805 -3.283 0.267 1.00 43.42 H new ATOM 0 HD13 LEU A 651 -12.488 -4.606 1.242 1.00 43.42 H new ATOM 0 HD21 LEU A 651 -10.778 -4.039 3.741 1.00 2.25 H new ATOM 0 HD22 LEU A 651 -11.030 -5.666 3.065 1.00 2.25 H new ATOM 0 HD23 LEU A 651 -9.379 -5.047 3.303 1.00 2.25 H new ATOM 1376 N ALA A 652 -7.794 -7.216 -0.932 1.00 15.22 N ATOM 1377 CA ALA A 652 -7.578 -8.526 -1.534 1.00 72.53 C ATOM 1378 C ALA A 652 -6.492 -9.298 -0.793 1.00 54.02 C ATOM 1379 O ALA A 652 -6.694 -10.445 -0.395 1.00 33.32 O ATOM 1380 CB ALA A 652 -7.212 -8.378 -3.004 1.00 1.53 C ATOM 0 H ALA A 652 -7.551 -6.430 -1.535 1.00 15.22 H new ATOM 0 HA ALA A 652 -8.507 -9.091 -1.457 1.00 72.53 H new ATOM 0 HB1 ALA A 652 -7.054 -9.364 -3.441 1.00 1.53 H new ATOM 0 HB2 ALA A 652 -8.021 -7.873 -3.531 1.00 1.53 H new ATOM 0 HB3 ALA A 652 -6.298 -7.790 -3.094 1.00 1.53 H new ATOM 1386 N ALA A 653 -5.340 -8.661 -0.610 1.00 63.45 N ATOM 1387 CA ALA A 653 -4.222 -9.289 0.086 1.00 35.05 C ATOM 1388 C ALA A 653 -4.498 -9.398 1.580 1.00 61.13 C ATOM 1389 O ALA A 653 -4.247 -10.436 2.193 1.00 44.54 O ATOM 1390 CB ALA A 653 -2.941 -8.506 -0.162 1.00 42.11 C ATOM 0 H ALA A 653 -5.156 -7.711 -0.933 1.00 63.45 H new ATOM 0 HA ALA A 653 -4.100 -10.298 -0.308 1.00 35.05 H new ATOM 0 HB1 ALA A 653 -2.114 -8.985 0.363 1.00 42.11 H new ATOM 0 HB2 ALA A 653 -2.729 -8.485 -1.231 1.00 42.11 H new ATOM 0 HB3 ALA A 653 -3.061 -7.486 0.204 1.00 42.11 H new ATOM 1396 N HIS A 654 -5.014 -8.321 2.164 1.00 33.21 N ATOM 1397 CA HIS A 654 -5.323 -8.296 3.588 1.00 53.03 C ATOM 1398 C HIS A 654 -6.231 -9.462 3.968 1.00 11.34 C ATOM 1399 O HIS A 654 -6.010 -10.132 4.975 1.00 63.21 O ATOM 1400 CB HIS A 654 -5.989 -6.972 3.965 1.00 3.23 C ATOM 1401 CG HIS A 654 -6.681 -7.006 5.292 1.00 3.30 C ATOM 1402 ND1 HIS A 654 -8.054 -7.039 5.425 1.00 50.40 N ATOM 1403 CD2 HIS A 654 -6.183 -7.014 6.551 1.00 1.23 C ATOM 1404 CE1 HIS A 654 -8.369 -7.064 6.708 1.00 10.43 C ATOM 1405 NE2 HIS A 654 -7.252 -7.050 7.412 1.00 40.22 N ATOM 0 H HIS A 654 -5.227 -7.453 1.672 1.00 33.21 H new ATOM 0 HA HIS A 654 -4.387 -8.393 4.139 1.00 53.03 H new ATOM 0 HB2 HIS A 654 -5.234 -6.186 3.978 1.00 3.23 H new ATOM 0 HB3 HIS A 654 -6.712 -6.706 3.194 1.00 3.23 H new ATOM 0 HD2 HIS A 654 -5.139 -6.996 6.827 1.00 1.23 H new ATOM 0 HE1 HIS A 654 -9.370 -7.091 7.112 1.00 10.43 H new ATOM 0 HE2 HIS A 654 -7.193 -7.064 8.430 1.00 40.22 H new ATOM 1412 N ALA A 655 -7.255 -9.698 3.152 1.00 60.02 N ATOM 1413 CA ALA A 655 -8.196 -10.783 3.401 1.00 54.14 C ATOM 1414 C ALA A 655 -7.600 -12.128 3.001 1.00 21.35 C ATOM 1415 O ALA A 655 -7.674 -13.100 3.753 1.00 23.42 O ATOM 1416 CB ALA A 655 -9.497 -10.536 2.654 1.00 53.14 C ATOM 0 H ALA A 655 -7.453 -9.152 2.313 1.00 60.02 H new ATOM 0 HA ALA A 655 -8.405 -10.811 4.470 1.00 54.14 H new ATOM 0 HB1 ALA A 655 -10.190 -11.354 2.850 1.00 53.14 H new ATOM 0 HB2 ALA A 655 -9.938 -9.598 2.992 1.00 53.14 H new ATOM 0 HB3 ALA A 655 -9.297 -10.478 1.584 1.00 53.14 H new ATOM 1422 N TYR A 656 -7.011 -12.178 1.811 1.00 0.34 N ATOM 1423 CA TYR A 656 -6.406 -13.406 1.308 1.00 74.43 C ATOM 1424 C TYR A 656 -5.398 -13.965 2.308 1.00 44.13 C ATOM 1425 O TYR A 656 -5.443 -15.144 2.658 1.00 21.24 O ATOM 1426 CB TYR A 656 -5.720 -13.149 -0.035 1.00 53.22 C ATOM 1427 CG TYR A 656 -4.923 -14.328 -0.543 1.00 61.23 C ATOM 1428 CD1 TYR A 656 -5.539 -15.358 -1.243 1.00 21.51 C ATOM 1429 CD2 TYR A 656 -3.554 -14.413 -0.324 1.00 72.23 C ATOM 1430 CE1 TYR A 656 -4.814 -16.439 -1.708 1.00 15.53 C ATOM 1431 CE2 TYR A 656 -2.821 -15.488 -0.788 1.00 70.14 C ATOM 1432 CZ TYR A 656 -3.455 -16.499 -1.479 1.00 3.51 C ATOM 1433 OH TYR A 656 -2.730 -17.572 -1.942 1.00 4.51 O ATOM 0 H TYR A 656 -6.940 -11.382 1.177 1.00 0.34 H new ATOM 0 HA TYR A 656 -7.199 -14.141 1.168 1.00 74.43 H new ATOM 0 HB2 TYR A 656 -6.476 -12.886 -0.775 1.00 53.22 H new ATOM 0 HB3 TYR A 656 -5.058 -12.289 0.064 1.00 53.22 H new ATOM 0 HD1 TYR A 656 -6.602 -15.313 -1.427 1.00 21.51 H new ATOM 0 HD2 TYR A 656 -3.054 -13.625 0.219 1.00 72.23 H new ATOM 0 HE1 TYR A 656 -5.309 -17.233 -2.248 1.00 15.53 H new ATOM 0 HE2 TYR A 656 -1.757 -15.536 -0.610 1.00 70.14 H new ATOM 0 HH TYR A 656 -1.788 -17.460 -1.698 1.00 4.51 H new ATOM 1442 N TRP A 657 -4.491 -13.110 2.765 1.00 12.13 N ATOM 1443 CA TRP A 657 -3.472 -13.517 3.725 1.00 52.04 C ATOM 1444 C TRP A 657 -4.086 -13.767 5.097 1.00 62.32 C ATOM 1445 O TRP A 657 -3.625 -14.629 5.846 1.00 52.44 O ATOM 1446 CB TRP A 657 -2.382 -12.447 3.827 1.00 65.12 C ATOM 1447 CG TRP A 657 -1.581 -12.294 2.571 1.00 35.20 C ATOM 1448 CD1 TRP A 657 -1.474 -11.172 1.799 1.00 12.40 C ATOM 1449 CD2 TRP A 657 -0.776 -13.295 1.939 1.00 65.23 C ATOM 1450 NE1 TRP A 657 -0.652 -11.416 0.726 1.00 22.13 N ATOM 1451 CE2 TRP A 657 -0.210 -12.711 0.789 1.00 14.03 C ATOM 1452 CE3 TRP A 657 -0.477 -14.628 2.234 1.00 33.30 C ATOM 1453 CZ2 TRP A 657 0.636 -13.415 -0.064 1.00 52.14 C ATOM 1454 CZ3 TRP A 657 0.363 -15.325 1.386 1.00 63.14 C ATOM 1455 CH2 TRP A 657 0.912 -14.718 0.249 1.00 42.24 C ATOM 0 H TRP A 657 -4.440 -12.130 2.486 1.00 12.13 H new ATOM 0 HA TRP A 657 -3.027 -14.447 3.372 1.00 52.04 H new ATOM 0 HB2 TRP A 657 -2.844 -11.491 4.074 1.00 65.12 H new ATOM 0 HB3 TRP A 657 -1.711 -12.699 4.649 1.00 65.12 H new ATOM 0 HD1 TRP A 657 -1.964 -10.231 2.003 1.00 12.40 H new ATOM 0 HE1 TRP A 657 -0.410 -10.742 -0.000 1.00 22.13 H new ATOM 0 HE3 TRP A 657 -0.895 -15.105 3.108 1.00 33.30 H new ATOM 0 HZ2 TRP A 657 1.059 -12.949 -0.942 1.00 52.14 H new ATOM 0 HZ3 TRP A 657 0.600 -16.356 1.604 1.00 63.14 H new ATOM 0 HH2 TRP A 657 1.566 -15.290 -0.393 1.00 42.24 H new ATOM 1465 N SER A 658 -5.129 -13.009 5.422 1.00 23.21 N ATOM 1466 CA SER A 658 -5.805 -13.148 6.707 1.00 71.44 C ATOM 1467 C SER A 658 -6.292 -14.579 6.913 1.00 14.34 C ATOM 1468 O SER A 658 -6.286 -15.092 8.031 1.00 23.13 O ATOM 1469 CB SER A 658 -6.984 -12.178 6.795 1.00 75.31 C ATOM 1470 OG SER A 658 -7.955 -12.636 7.718 1.00 24.31 O ATOM 0 H SER A 658 -5.524 -12.292 4.813 1.00 23.21 H new ATOM 0 HA SER A 658 -5.089 -12.910 7.494 1.00 71.44 H new ATOM 0 HB2 SER A 658 -6.627 -11.194 7.097 1.00 75.31 H new ATOM 0 HB3 SER A 658 -7.439 -12.064 5.811 1.00 75.31 H new ATOM 0 HG SER A 658 -8.697 -11.997 7.756 1.00 24.31 H new ATOM 1475 N GLN A 659 -6.714 -15.216 5.825 1.00 4.11 N ATOM 1476 CA GLN A 659 -7.206 -16.587 5.885 1.00 42.51 C ATOM 1477 C GLN A 659 -6.150 -17.519 6.470 1.00 33.10 C ATOM 1478 O GLN A 659 -6.475 -18.558 7.043 1.00 5.14 O ATOM 1479 CB GLN A 659 -7.613 -17.068 4.492 1.00 72.30 C ATOM 1480 CG GLN A 659 -9.021 -16.656 4.093 1.00 14.11 C ATOM 1481 CD GLN A 659 -9.678 -17.654 3.159 1.00 51.23 C ATOM 1482 OE1 GLN A 659 -9.016 -18.532 2.604 1.00 55.51 O ATOM 1483 NE2 GLN A 659 -10.988 -17.525 2.982 1.00 32.10 N ATOM 0 H GLN A 659 -6.725 -14.804 4.892 1.00 4.11 H new ATOM 0 HA GLN A 659 -8.080 -16.604 6.536 1.00 42.51 H new ATOM 0 HB2 GLN A 659 -6.907 -16.675 3.760 1.00 72.30 H new ATOM 0 HB3 GLN A 659 -7.537 -18.155 4.456 1.00 72.30 H new ATOM 0 HG2 GLN A 659 -9.631 -16.547 4.989 1.00 14.11 H new ATOM 0 HG3 GLN A 659 -8.987 -15.680 3.610 1.00 14.11 H new ATOM 0 HE21 GLN A 659 -11.497 -16.783 3.462 1.00 32.10 H new ATOM 0 HE22 GLN A 659 -11.485 -18.168 2.366 1.00 32.10 H new ATOM 1490 N GLN A 660 -4.885 -17.139 6.321 1.00 62.15 N ATOM 1491 CA GLN A 660 -3.782 -17.943 6.834 1.00 31.21 C ATOM 1492 C GLN A 660 -3.402 -17.509 8.246 1.00 32.20 C ATOM 1493 O GLN A 660 -3.464 -18.301 9.186 1.00 74.20 O ATOM 1494 CB GLN A 660 -2.568 -17.829 5.909 1.00 23.22 C ATOM 1495 CG GLN A 660 -2.752 -18.536 4.575 1.00 31.00 C ATOM 1496 CD GLN A 660 -2.395 -20.008 4.641 1.00 25.02 C ATOM 1497 OE1 GLN A 660 -2.821 -20.722 5.549 1.00 13.22 O ATOM 1498 NE2 GLN A 660 -1.609 -20.471 3.675 1.00 13.41 N ATOM 0 H GLN A 660 -4.599 -16.281 5.850 1.00 62.15 H new ATOM 0 HA GLN A 660 -4.108 -18.982 6.869 1.00 31.21 H new ATOM 0 HB2 GLN A 660 -2.358 -16.775 5.727 1.00 23.22 H new ATOM 0 HB3 GLN A 660 -1.696 -18.245 6.414 1.00 23.22 H new ATOM 0 HG2 GLN A 660 -3.788 -18.431 4.252 1.00 31.00 H new ATOM 0 HG3 GLN A 660 -2.133 -18.049 3.822 1.00 31.00 H new ATOM 0 HE21 GLN A 660 -1.279 -19.844 2.942 1.00 13.41 H new ATOM 0 HE22 GLN A 660 -1.336 -21.454 3.667 1.00 13.41 H new ATOM 1505 N GLN A 661 -3.009 -16.247 8.387 1.00 34.14 N ATOM 1506 CA GLN A 661 -2.619 -15.709 9.683 1.00 72.14 C ATOM 1507 C GLN A 661 -3.841 -15.472 10.565 1.00 74.41 C ATOM 1508 O GLN A 661 -4.966 -15.793 10.183 1.00 55.43 O ATOM 1509 CB GLN A 661 -1.844 -14.402 9.505 1.00 62.55 C ATOM 1510 CG GLN A 661 -0.530 -14.572 8.758 1.00 3.21 C ATOM 1511 CD GLN A 661 0.550 -15.204 9.613 1.00 3.11 C ATOM 1512 OE1 GLN A 661 0.264 -15.816 10.643 1.00 71.52 O ATOM 1513 NE2 GLN A 661 1.800 -15.062 9.190 1.00 34.22 N ATOM 0 H GLN A 661 -2.953 -15.579 7.619 1.00 34.14 H new ATOM 0 HA GLN A 661 -1.976 -16.441 10.172 1.00 72.14 H new ATOM 0 HB2 GLN A 661 -2.469 -13.689 8.967 1.00 62.55 H new ATOM 0 HB3 GLN A 661 -1.642 -13.972 10.486 1.00 62.55 H new ATOM 0 HG2 GLN A 661 -0.696 -15.189 7.875 1.00 3.21 H new ATOM 0 HG3 GLN A 661 -0.187 -13.598 8.407 1.00 3.21 H new ATOM 0 HE21 GLN A 661 1.992 -14.547 8.331 1.00 34.22 H new ATOM 0 HE22 GLN A 661 2.568 -15.468 9.724 1.00 34.22 H new ATOM 1520 N GLY A 662 -3.612 -14.909 11.748 1.00 23.22 N ATOM 1521 CA GLY A 662 -4.704 -14.640 12.665 1.00 61.32 C ATOM 1522 C GLY A 662 -5.705 -13.653 12.099 1.00 45.24 C ATOM 1523 O GLY A 662 -5.697 -13.365 10.903 1.00 74.11 O ATOM 0 H GLY A 662 -2.690 -14.635 12.087 1.00 23.22 H new ATOM 0 HA2 GLY A 662 -5.213 -15.574 12.903 1.00 61.32 H new ATOM 0 HA3 GLY A 662 -4.302 -14.249 13.600 1.00 61.32 H new ATOM 1527 N LYS A 663 -6.574 -13.135 12.962 1.00 74.04 N ATOM 1528 CA LYS A 663 -7.587 -12.175 12.543 1.00 1.31 C ATOM 1529 C LYS A 663 -8.008 -11.284 13.708 1.00 61.32 C ATOM 1530 O LYS A 663 -7.513 -11.435 14.825 1.00 54.10 O ATOM 1531 CB LYS A 663 -8.808 -12.904 11.980 1.00 5.43 C ATOM 1532 CG LYS A 663 -9.316 -14.023 12.875 1.00 15.44 C ATOM 1533 CD LYS A 663 -8.681 -15.355 12.517 1.00 11.14 C ATOM 1534 CE LYS A 663 -9.487 -16.090 11.457 1.00 61.33 C ATOM 1535 NZ LYS A 663 -10.576 -16.908 12.057 1.00 5.24 N ATOM 0 H LYS A 663 -6.596 -13.365 13.956 1.00 74.04 H new ATOM 0 HA LYS A 663 -7.155 -11.546 11.764 1.00 1.31 H new ATOM 0 HB2 LYS A 663 -9.610 -12.183 11.823 1.00 5.43 H new ATOM 0 HB3 LYS A 663 -8.555 -13.317 11.004 1.00 5.43 H new ATOM 0 HG2 LYS A 663 -9.100 -13.784 13.916 1.00 15.44 H new ATOM 0 HG3 LYS A 663 -10.400 -14.099 12.784 1.00 15.44 H new ATOM 0 HD2 LYS A 663 -7.666 -15.190 12.154 1.00 11.14 H new ATOM 0 HD3 LYS A 663 -8.603 -15.974 13.411 1.00 11.14 H new ATOM 0 HE2 LYS A 663 -9.916 -15.368 10.762 1.00 61.33 H new ATOM 0 HE3 LYS A 663 -8.825 -16.735 10.879 1.00 61.33 H new ATOM 0 HZ1 LYS A 663 -11.102 -17.393 11.302 1.00 5.24 H new ATOM 0 HZ2 LYS A 663 -10.165 -17.614 12.701 1.00 5.24 H new ATOM 0 HZ3 LYS A 663 -11.223 -16.290 12.587 1.00 5.24 H new ATOM 1545 N GLN A 664 -8.923 -10.359 13.440 1.00 40.32 N ATOM 1546 CA GLN A 664 -9.409 -9.445 14.467 1.00 1.51 C ATOM 1547 C GLN A 664 -10.838 -9.003 14.170 1.00 34.21 C ATOM 1548 O GLN A 664 -11.426 -9.402 13.164 1.00 15.20 O ATOM 1549 CB GLN A 664 -8.495 -8.223 14.567 1.00 21.24 C ATOM 1550 CG GLN A 664 -7.360 -8.392 15.564 1.00 72.24 C ATOM 1551 CD GLN A 664 -7.852 -8.736 16.956 1.00 51.34 C ATOM 1552 OE1 GLN A 664 -7.624 -9.839 17.454 1.00 21.35 O ATOM 1553 NE2 GLN A 664 -8.532 -7.791 17.594 1.00 14.23 N ATOM 0 H GLN A 664 -9.343 -10.222 12.521 1.00 40.32 H new ATOM 0 HA GLN A 664 -9.402 -9.973 15.420 1.00 1.51 H new ATOM 0 HB2 GLN A 664 -8.075 -8.012 13.583 1.00 21.24 H new ATOM 0 HB3 GLN A 664 -9.091 -7.356 14.851 1.00 21.24 H new ATOM 0 HG2 GLN A 664 -6.689 -9.177 15.215 1.00 72.24 H new ATOM 0 HG3 GLN A 664 -6.778 -7.471 15.606 1.00 72.24 H new ATOM 0 HE21 GLN A 664 -8.698 -6.891 17.144 1.00 14.23 H new ATOM 0 HE22 GLN A 664 -8.888 -7.965 18.534 1.00 14.23 H new ATOM 1560 N HIS A 665 -11.392 -8.177 15.051 1.00 54.44 N ATOM 1561 CA HIS A 665 -12.753 -7.679 14.884 1.00 24.20 C ATOM 1562 C HIS A 665 -12.939 -7.062 13.501 1.00 4.02 C ATOM 1563 O HIS A 665 -12.432 -5.976 13.221 1.00 52.15 O ATOM 1564 CB HIS A 665 -13.078 -6.648 15.964 1.00 15.54 C ATOM 1565 CG HIS A 665 -14.472 -6.104 15.872 1.00 60.52 C ATOM 1566 ND1 HIS A 665 -15.594 -6.868 16.109 1.00 42.33 N ATOM 1567 CD2 HIS A 665 -14.919 -4.863 15.569 1.00 32.10 C ATOM 1568 CE1 HIS A 665 -16.673 -6.121 15.954 1.00 55.11 C ATOM 1569 NE2 HIS A 665 -16.291 -4.900 15.626 1.00 72.41 N ATOM 0 H HIS A 665 -10.919 -7.838 15.889 1.00 54.44 H new ATOM 0 HA HIS A 665 -13.437 -8.522 14.981 1.00 24.20 H new ATOM 0 HB2 HIS A 665 -12.939 -7.104 16.944 1.00 15.54 H new ATOM 0 HB3 HIS A 665 -12.369 -5.823 15.893 1.00 15.54 H new ATOM 0 HD2 HIS A 665 -14.311 -4.004 15.327 1.00 32.10 H new ATOM 0 HE1 HIS A 665 -17.694 -6.453 16.075 1.00 55.11 H new ATOM 0 HE2 HIS A 665 -16.913 -4.113 15.445 1.00 72.41 H new ATOM 1576 N VAL A 666 -13.669 -7.763 12.638 1.00 41.11 N ATOM 1577 CA VAL A 666 -13.922 -7.284 11.285 1.00 10.14 C ATOM 1578 C VAL A 666 -14.923 -8.179 10.563 1.00 41.13 C ATOM 1579 O VAL A 666 -14.938 -9.394 10.760 1.00 14.14 O ATOM 1580 CB VAL A 666 -12.622 -7.218 10.461 1.00 13.24 C ATOM 1581 CG1 VAL A 666 -11.960 -8.586 10.397 1.00 15.32 C ATOM 1582 CG2 VAL A 666 -12.904 -6.687 9.063 1.00 1.20 C ATOM 0 H VAL A 666 -14.095 -8.664 12.853 1.00 41.11 H new ATOM 0 HA VAL A 666 -14.337 -6.280 11.377 1.00 10.14 H new ATOM 0 HB VAL A 666 -11.934 -6.531 10.954 1.00 13.24 H new ATOM 0 HG11 VAL A 666 -11.043 -8.520 9.811 1.00 15.32 H new ATOM 0 HG12 VAL A 666 -11.722 -8.923 11.406 1.00 15.32 H new ATOM 0 HG13 VAL A 666 -12.640 -9.298 9.928 1.00 15.32 H new ATOM 0 HG21 VAL A 666 -11.975 -6.647 8.495 1.00 1.20 H new ATOM 0 HG22 VAL A 666 -13.610 -7.347 8.559 1.00 1.20 H new ATOM 0 HG23 VAL A 666 -13.330 -5.686 9.133 1.00 1.20 H new ATOM 1592 N GLU A 667 -15.758 -7.569 9.727 1.00 62.11 N ATOM 1593 CA GLU A 667 -16.763 -8.313 8.976 1.00 55.44 C ATOM 1594 C GLU A 667 -16.149 -8.964 7.741 1.00 73.51 C ATOM 1595 O GLU A 667 -15.079 -8.575 7.270 1.00 41.20 O ATOM 1596 CB GLU A 667 -17.909 -7.387 8.562 1.00 2.21 C ATOM 1597 CG GLU A 667 -19.035 -7.320 9.579 1.00 4.43 C ATOM 1598 CD GLU A 667 -20.228 -6.530 9.077 1.00 13.23 C ATOM 1599 OE1 GLU A 667 -20.220 -5.289 9.220 1.00 1.20 O ATOM 1600 OE2 GLU A 667 -21.171 -7.151 8.543 1.00 32.34 O ATOM 0 H GLU A 667 -15.759 -6.564 9.553 1.00 62.11 H new ATOM 0 HA GLU A 667 -17.154 -9.099 9.622 1.00 55.44 H new ATOM 0 HB2 GLU A 667 -17.514 -6.383 8.403 1.00 2.21 H new ATOM 0 HB3 GLU A 667 -18.312 -7.726 7.608 1.00 2.21 H new ATOM 0 HG2 GLU A 667 -19.354 -8.332 9.830 1.00 4.43 H new ATOM 0 HG3 GLU A 667 -18.663 -6.866 10.497 1.00 4.43 H new ATOM 1605 N PRO A 668 -16.839 -9.979 7.202 1.00 31.24 N ATOM 1606 CA PRO A 668 -16.381 -10.706 6.014 1.00 45.40 C ATOM 1607 C PRO A 668 -16.455 -9.856 4.751 1.00 23.54 C ATOM 1608 O PRO A 668 -16.970 -8.738 4.770 1.00 64.05 O ATOM 1609 CB PRO A 668 -17.353 -11.886 5.923 1.00 40.44 C ATOM 1610 CG PRO A 668 -18.586 -11.414 6.614 1.00 1.31 C ATOM 1611 CD PRO A 668 -18.122 -10.495 7.710 1.00 70.20 C ATOM 0 HA PRO A 668 -15.335 -11.003 6.096 1.00 45.40 H new ATOM 0 HB2 PRO A 668 -17.557 -12.152 4.886 1.00 40.44 H new ATOM 0 HB3 PRO A 668 -16.944 -12.774 6.405 1.00 40.44 H new ATOM 0 HG2 PRO A 668 -19.246 -10.892 5.921 1.00 1.31 H new ATOM 0 HG3 PRO A 668 -19.150 -12.253 7.021 1.00 1.31 H new ATOM 0 HD2 PRO A 668 -18.836 -9.691 7.889 1.00 70.20 H new ATOM 0 HD3 PRO A 668 -17.996 -11.026 8.654 1.00 70.20 H new ATOM 1616 N LEU A 669 -15.937 -10.394 3.651 1.00 62.42 N ATOM 1617 CA LEU A 669 -15.944 -9.685 2.376 1.00 41.14 C ATOM 1618 C LEU A 669 -15.421 -10.577 1.255 1.00 1.45 C ATOM 1619 O LEU A 669 -14.691 -11.537 1.499 1.00 74.21 O ATOM 1620 CB LEU A 669 -15.095 -8.416 2.472 1.00 10.53 C ATOM 1621 CG LEU A 669 -15.457 -7.293 1.498 1.00 2.23 C ATOM 1622 CD1 LEU A 669 -16.469 -6.347 2.126 1.00 75.23 C ATOM 1623 CD2 LEU A 669 -14.208 -6.535 1.072 1.00 21.41 C ATOM 0 H LEU A 669 -15.507 -11.318 3.617 1.00 62.42 H new ATOM 0 HA LEU A 669 -16.973 -9.410 2.146 1.00 41.14 H new ATOM 0 HB2 LEU A 669 -15.171 -8.028 3.488 1.00 10.53 H new ATOM 0 HB3 LEU A 669 -14.052 -8.687 2.311 1.00 10.53 H new ATOM 0 HG LEU A 669 -15.909 -7.738 0.611 1.00 2.23 H new ATOM 0 HD11 LEU A 669 -16.714 -5.555 1.419 1.00 75.23 H new ATOM 0 HD12 LEU A 669 -17.374 -6.899 2.381 1.00 75.23 H new ATOM 0 HD13 LEU A 669 -16.045 -5.908 3.029 1.00 75.23 H new ATOM 0 HD21 LEU A 669 -14.484 -5.740 0.379 1.00 21.41 H new ATOM 0 HD22 LEU A 669 -13.728 -6.102 1.950 1.00 21.41 H new ATOM 0 HD23 LEU A 669 -13.516 -7.220 0.582 1.00 21.41 H new ATOM 1634 N LYS A 670 -15.799 -10.251 0.023 1.00 33.04 N ATOM 1635 CA LYS A 670 -15.366 -11.020 -1.138 1.00 12.43 C ATOM 1636 C LYS A 670 -14.046 -10.484 -1.684 1.00 10.25 C ATOM 1637 O LYS A 670 -13.839 -9.273 -1.755 1.00 12.21 O ATOM 1638 CB LYS A 670 -16.437 -10.977 -2.232 1.00 53.20 C ATOM 1639 CG LYS A 670 -17.818 -11.379 -1.746 1.00 41.31 C ATOM 1640 CD LYS A 670 -17.888 -12.863 -1.429 1.00 34.42 C ATOM 1641 CE LYS A 670 -18.145 -13.689 -2.681 1.00 51.43 C ATOM 1642 NZ LYS A 670 -19.587 -13.700 -3.051 1.00 63.32 N ATOM 0 H LYS A 670 -16.404 -9.460 -0.197 1.00 33.04 H new ATOM 0 HA LYS A 670 -15.217 -12.053 -0.824 1.00 12.43 H new ATOM 0 HB2 LYS A 670 -16.485 -9.968 -2.643 1.00 53.20 H new ATOM 0 HB3 LYS A 670 -16.140 -11.639 -3.046 1.00 53.20 H new ATOM 0 HG2 LYS A 670 -18.073 -10.804 -0.856 1.00 41.31 H new ATOM 0 HG3 LYS A 670 -18.558 -11.133 -2.507 1.00 41.31 H new ATOM 0 HD2 LYS A 670 -16.954 -13.182 -0.967 1.00 34.42 H new ATOM 0 HD3 LYS A 670 -18.681 -13.044 -0.703 1.00 34.42 H new ATOM 0 HE2 LYS A 670 -17.561 -13.286 -3.508 1.00 51.43 H new ATOM 0 HE3 LYS A 670 -17.804 -14.711 -2.518 1.00 51.43 H new ATOM 0 HZ1 LYS A 670 -19.721 -14.273 -3.909 1.00 63.32 H new ATOM 0 HZ2 LYS A 670 -20.142 -14.108 -2.272 1.00 63.32 H new ATOM 0 HZ3 LYS A 670 -19.907 -12.727 -3.231 1.00 63.32 H new ATOM 1652 N ILE A 671 -13.158 -11.394 -2.069 1.00 65.03 N ATOM 1653 CA ILE A 671 -11.860 -11.012 -2.611 1.00 64.05 C ATOM 1654 C ILE A 671 -11.843 -11.127 -4.130 1.00 21.41 C ATOM 1655 O ILE A 671 -12.473 -12.017 -4.704 1.00 74.34 O ATOM 1656 CB ILE A 671 -10.729 -11.882 -2.028 1.00 21.31 C ATOM 1657 CG1 ILE A 671 -10.732 -11.804 -0.500 1.00 23.00 C ATOM 1658 CG2 ILE A 671 -9.383 -11.443 -2.584 1.00 71.14 C ATOM 1659 CD1 ILE A 671 -9.849 -12.840 0.160 1.00 21.34 C ATOM 0 H ILE A 671 -13.313 -12.401 -2.016 1.00 65.03 H new ATOM 0 HA ILE A 671 -11.692 -9.973 -2.327 1.00 64.05 H new ATOM 0 HB ILE A 671 -10.900 -12.918 -2.320 1.00 21.31 H new ATOM 0 HG12 ILE A 671 -10.403 -10.811 -0.194 1.00 23.00 H new ATOM 0 HG13 ILE A 671 -11.754 -11.927 -0.140 1.00 23.00 H new ATOM 0 HG21 ILE A 671 -8.594 -12.067 -2.163 1.00 71.14 H new ATOM 0 HG22 ILE A 671 -9.387 -11.546 -3.669 1.00 71.14 H new ATOM 0 HG23 ILE A 671 -9.202 -10.401 -2.319 1.00 71.14 H new ATOM 0 HD11 ILE A 671 -9.900 -12.725 1.243 1.00 21.34 H new ATOM 0 HD12 ILE A 671 -10.190 -13.838 -0.116 1.00 21.34 H new ATOM 0 HD13 ILE A 671 -8.819 -12.704 -0.171 1.00 21.34 H new ATOM 1670 N LEU A 672 -11.116 -10.224 -4.778 1.00 20.12 N ATOM 1671 CA LEU A 672 -11.014 -10.224 -6.234 1.00 64.31 C ATOM 1672 C LEU A 672 -9.567 -10.408 -6.679 1.00 43.24 C ATOM 1673 O LEU A 672 -8.640 -9.940 -6.017 1.00 33.15 O ATOM 1674 CB LEU A 672 -11.573 -8.919 -6.804 1.00 61.11 C ATOM 1675 CG LEU A 672 -12.144 -8.996 -8.221 1.00 71.23 C ATOM 1676 CD1 LEU A 672 -13.428 -9.808 -8.236 1.00 1.52 C ATOM 1677 CD2 LEU A 672 -12.386 -7.599 -8.773 1.00 2.15 C ATOM 0 H LEU A 672 -10.588 -9.482 -4.319 1.00 20.12 H new ATOM 0 HA LEU A 672 -11.600 -11.060 -6.614 1.00 64.31 H new ATOM 0 HB2 LEU A 672 -12.357 -8.561 -6.137 1.00 61.11 H new ATOM 0 HB3 LEU A 672 -10.779 -8.172 -6.794 1.00 61.11 H new ATOM 0 HG LEU A 672 -11.416 -9.497 -8.860 1.00 71.23 H new ATOM 0 HD11 LEU A 672 -13.819 -9.851 -9.252 1.00 1.52 H new ATOM 0 HD12 LEU A 672 -13.224 -10.819 -7.882 1.00 1.52 H new ATOM 0 HD13 LEU A 672 -14.164 -9.337 -7.584 1.00 1.52 H new ATOM 0 HD21 LEU A 672 -12.792 -7.672 -9.782 1.00 2.15 H new ATOM 0 HD22 LEU A 672 -13.095 -7.073 -8.133 1.00 2.15 H new ATOM 0 HD23 LEU A 672 -11.445 -7.050 -8.800 1.00 2.15 H new ATOM 1688 N ASP A 673 -9.381 -11.091 -7.803 1.00 53.42 N ATOM 1689 CA ASP A 673 -8.047 -11.334 -8.338 1.00 35.35 C ATOM 1690 C ASP A 673 -8.100 -11.572 -9.844 1.00 10.41 C ATOM 1691 O ASP A 673 -9.156 -11.881 -10.397 1.00 43.42 O ATOM 1692 CB ASP A 673 -7.406 -12.535 -7.642 1.00 64.41 C ATOM 1693 CG ASP A 673 -5.962 -12.741 -8.055 1.00 32.44 C ATOM 1694 OD1 ASP A 673 -5.203 -11.749 -8.077 1.00 21.12 O ATOM 1695 OD2 ASP A 673 -5.590 -13.895 -8.357 1.00 2.41 O ATOM 0 H ASP A 673 -10.138 -11.486 -8.361 1.00 53.42 H new ATOM 0 HA ASP A 673 -7.440 -10.448 -8.149 1.00 35.35 H new ATOM 0 HB2 ASP A 673 -7.455 -12.394 -6.562 1.00 64.41 H new ATOM 0 HB3 ASP A 673 -7.979 -13.433 -7.873 1.00 64.41 H new ATOM 1699 N ALA A 674 -6.956 -11.424 -10.503 1.00 42.02 N ATOM 1700 CA ALA A 674 -6.872 -11.625 -11.944 1.00 41.33 C ATOM 1701 C ALA A 674 -5.530 -12.233 -12.336 1.00 35.44 C ATOM 1702 O ALA A 674 -4.602 -12.289 -11.530 1.00 33.03 O ATOM 1703 CB ALA A 674 -7.091 -10.307 -12.673 1.00 32.31 C ATOM 0 H ALA A 674 -6.074 -11.165 -10.061 1.00 42.02 H new ATOM 0 HA ALA A 674 -7.656 -12.324 -12.236 1.00 41.33 H new ATOM 0 HB1 ALA A 674 -7.026 -10.471 -13.749 1.00 32.31 H new ATOM 0 HB2 ALA A 674 -8.077 -9.914 -12.425 1.00 32.31 H new ATOM 0 HB3 ALA A 674 -6.327 -9.591 -12.368 1.00 32.31 H new ATOM 1709 N LYS A 675 -5.434 -12.687 -13.582 1.00 60.53 N ATOM 1710 CA LYS A 675 -4.205 -13.291 -14.083 1.00 22.51 C ATOM 1711 C LYS A 675 -3.892 -12.798 -15.492 1.00 34.22 C ATOM 1712 O LYS A 675 -4.617 -13.098 -16.441 1.00 70.44 O ATOM 1713 CB LYS A 675 -4.325 -14.817 -14.081 1.00 64.43 C ATOM 1714 CG LYS A 675 -3.068 -15.526 -14.558 1.00 43.43 C ATOM 1715 CD LYS A 675 -3.079 -16.996 -14.173 1.00 73.23 C ATOM 1716 CE LYS A 675 -2.725 -17.192 -12.706 1.00 15.13 C ATOM 1717 NZ LYS A 675 -3.372 -18.406 -12.137 1.00 14.44 N ATOM 0 H LYS A 675 -6.193 -12.648 -14.263 1.00 60.53 H new ATOM 0 HA LYS A 675 -3.389 -12.995 -13.423 1.00 22.51 H new ATOM 0 HB2 LYS A 675 -4.561 -15.153 -13.071 1.00 64.43 H new ATOM 0 HB3 LYS A 675 -5.160 -15.108 -14.718 1.00 64.43 H new ATOM 0 HG2 LYS A 675 -2.985 -15.433 -15.641 1.00 43.43 H new ATOM 0 HG3 LYS A 675 -2.191 -15.043 -14.128 1.00 43.43 H new ATOM 0 HD2 LYS A 675 -4.065 -17.417 -14.370 1.00 73.23 H new ATOM 0 HD3 LYS A 675 -2.370 -17.541 -14.795 1.00 73.23 H new ATOM 0 HE2 LYS A 675 -1.643 -17.274 -12.601 1.00 15.13 H new ATOM 0 HE3 LYS A 675 -3.035 -16.315 -12.137 1.00 15.13 H new ATOM 0 HZ1 LYS A 675 -3.106 -18.504 -11.136 1.00 14.44 H new ATOM 0 HZ2 LYS A 675 -4.405 -18.317 -12.214 1.00 14.44 H new ATOM 0 HZ3 LYS A 675 -3.057 -19.246 -12.663 1.00 14.44 H new ATOM 1727 N ALA A 676 -2.807 -12.041 -15.622 1.00 40.44 N ATOM 1728 CA ALA A 676 -2.397 -11.508 -16.915 1.00 24.54 C ATOM 1729 C ALA A 676 -1.584 -12.535 -17.698 1.00 1.32 C ATOM 1730 O ALA A 676 -0.869 -13.348 -17.114 1.00 31.30 O ATOM 1731 CB ALA A 676 -1.596 -10.229 -16.730 1.00 73.00 C ATOM 0 H ALA A 676 -2.196 -11.783 -14.847 1.00 40.44 H new ATOM 0 HA ALA A 676 -3.296 -11.280 -17.488 1.00 24.54 H new ATOM 0 HB1 ALA A 676 -1.297 -9.843 -17.704 1.00 73.00 H new ATOM 0 HB2 ALA A 676 -2.209 -9.487 -16.218 1.00 73.00 H new ATOM 0 HB3 ALA A 676 -0.707 -10.439 -16.135 1.00 73.00 H new ATOM 1737 N GLN A 677 -1.702 -12.491 -19.021 1.00 32.25 N ATOM 1738 CA GLN A 677 -0.979 -13.419 -19.882 1.00 35.12 C ATOM 1739 C GLN A 677 0.122 -12.699 -20.655 1.00 23.51 C ATOM 1740 O GLN A 677 0.315 -11.492 -20.503 1.00 24.03 O ATOM 1741 CB GLN A 677 -1.942 -14.099 -20.857 1.00 32.43 C ATOM 1742 CG GLN A 677 -2.597 -13.136 -21.836 1.00 62.34 C ATOM 1743 CD GLN A 677 -3.770 -13.758 -22.569 1.00 61.51 C ATOM 1744 OE1 GLN A 677 -4.905 -13.720 -22.093 1.00 62.32 O ATOM 1745 NE2 GLN A 677 -3.500 -14.334 -23.734 1.00 4.31 N ATOM 0 H GLN A 677 -2.291 -11.824 -19.519 1.00 32.25 H new ATOM 0 HA GLN A 677 -0.518 -14.178 -19.250 1.00 35.12 H new ATOM 0 HB2 GLN A 677 -1.401 -14.861 -21.417 1.00 32.43 H new ATOM 0 HB3 GLN A 677 -2.719 -14.612 -20.290 1.00 32.43 H new ATOM 0 HG2 GLN A 677 -2.937 -12.252 -21.297 1.00 62.34 H new ATOM 0 HG3 GLN A 677 -1.856 -12.801 -22.562 1.00 62.34 H new ATOM 0 HE21 GLN A 677 -2.544 -14.342 -24.090 1.00 4.31 H new ATOM 0 HE22 GLN A 677 -4.248 -14.769 -24.273 1.00 4.31 H new ATOM 1752 N LYS A 678 0.843 -13.448 -21.483 1.00 34.13 N ATOM 1753 CA LYS A 678 1.925 -12.882 -22.281 1.00 44.52 C ATOM 1754 C LYS A 678 2.376 -13.863 -23.358 1.00 31.54 C ATOM 1755 O LYS A 678 2.445 -15.069 -23.125 1.00 62.31 O ATOM 1756 CB LYS A 678 3.109 -12.514 -21.383 1.00 2.14 C ATOM 1757 CG LYS A 678 4.005 -11.437 -21.971 1.00 64.14 C ATOM 1758 CD LYS A 678 3.471 -10.045 -21.677 1.00 42.20 C ATOM 1759 CE LYS A 678 4.081 -9.007 -22.606 1.00 5.44 C ATOM 1760 NZ LYS A 678 3.611 -7.631 -22.283 1.00 32.40 N ATOM 0 H LYS A 678 0.698 -14.448 -21.619 1.00 34.13 H new ATOM 0 HA LYS A 678 1.552 -11.981 -22.768 1.00 44.52 H new ATOM 0 HB2 LYS A 678 2.731 -12.174 -20.419 1.00 2.14 H new ATOM 0 HB3 LYS A 678 3.704 -13.408 -21.196 1.00 2.14 H new ATOM 0 HG2 LYS A 678 5.011 -11.536 -21.562 1.00 64.14 H new ATOM 0 HG3 LYS A 678 4.084 -11.577 -23.049 1.00 64.14 H new ATOM 0 HD2 LYS A 678 2.386 -10.040 -21.786 1.00 42.20 H new ATOM 0 HD3 LYS A 678 3.689 -9.782 -20.642 1.00 42.20 H new ATOM 0 HE2 LYS A 678 5.168 -9.047 -22.532 1.00 5.44 H new ATOM 0 HE3 LYS A 678 3.823 -9.246 -23.638 1.00 5.44 H new ATOM 0 HZ1 LYS A 678 4.049 -6.952 -22.938 1.00 32.40 H new ATOM 0 HZ2 LYS A 678 2.576 -7.586 -22.378 1.00 32.40 H new ATOM 0 HZ3 LYS A 678 3.879 -7.393 -21.307 1.00 32.40 H new ATOM 1770 N VAL A 679 2.684 -13.337 -24.539 1.00 74.41 N ATOM 1771 CA VAL A 679 3.132 -14.165 -25.652 1.00 32.01 C ATOM 1772 C VAL A 679 4.648 -14.113 -25.802 1.00 71.35 C ATOM 1773 O VAL A 679 5.276 -13.093 -25.520 1.00 51.41 O ATOM 1774 CB VAL A 679 2.482 -13.725 -26.977 1.00 11.24 C ATOM 1775 CG1 VAL A 679 2.927 -12.319 -27.349 1.00 14.22 C ATOM 1776 CG2 VAL A 679 2.815 -14.709 -28.087 1.00 21.33 C ATOM 0 H VAL A 679 2.631 -12.340 -24.750 1.00 74.41 H new ATOM 0 HA VAL A 679 2.827 -15.187 -25.427 1.00 32.01 H new ATOM 0 HB VAL A 679 1.400 -13.715 -26.845 1.00 11.24 H new ATOM 0 HG11 VAL A 679 2.458 -12.025 -28.288 1.00 14.22 H new ATOM 0 HG12 VAL A 679 2.632 -11.624 -26.563 1.00 14.22 H new ATOM 0 HG13 VAL A 679 4.011 -12.299 -27.463 1.00 14.22 H new ATOM 0 HG21 VAL A 679 2.347 -14.382 -29.016 1.00 21.33 H new ATOM 0 HG22 VAL A 679 3.896 -14.754 -28.221 1.00 21.33 H new ATOM 0 HG23 VAL A 679 2.441 -15.698 -27.821 1.00 21.33 H new ATOM 1786 N GLY A 680 5.232 -15.221 -26.247 1.00 61.44 N ATOM 1787 CA GLY A 680 6.672 -15.281 -26.426 1.00 3.35 C ATOM 1788 C GLY A 680 7.072 -15.312 -27.888 1.00 33.42 C ATOM 1789 O GLY A 680 7.636 -14.347 -28.404 1.00 24.11 O ATOM 0 H GLY A 680 4.734 -16.078 -26.487 1.00 61.44 H new ATOM 0 HA2 GLY A 680 7.131 -14.418 -25.945 1.00 3.35 H new ATOM 0 HA3 GLY A 680 7.061 -16.169 -25.927 1.00 3.35 H new ATOM 1793 N ALA A 681 6.783 -16.423 -28.556 1.00 10.11 N ATOM 1794 CA ALA A 681 7.117 -16.576 -29.967 1.00 53.40 C ATOM 1795 C ALA A 681 6.579 -15.407 -30.787 1.00 30.32 C ATOM 1796 O ALA A 681 7.218 -14.960 -31.741 1.00 64.50 O ATOM 1797 CB ALA A 681 6.571 -17.892 -30.500 1.00 22.22 C ATOM 0 H ALA A 681 6.318 -17.231 -28.143 1.00 10.11 H new ATOM 0 HA ALA A 681 8.203 -16.583 -30.059 1.00 53.40 H new ATOM 0 HB1 ALA A 681 6.828 -17.992 -31.554 1.00 22.22 H new ATOM 0 HB2 ALA A 681 7.006 -18.720 -29.940 1.00 22.22 H new ATOM 0 HB3 ALA A 681 5.487 -17.908 -30.388 1.00 22.22 H new TER 1803 ALA A 681