USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 980 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 73 CYS SG : rot 36:sc= 0.92 USER MOD Set 1.2: A 116 HIS : no HD1:sc= -6.76! C(o=-5.8!,f=-13!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.102 K(o=-2.7,f=-4) USER MOD Set 2.2: A 64 ASN : amide:sc= -2.76! C(o=-2.7!,f=-6.5!) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0.535 USER MOD Set 3.2: A 31 LYS NZ :NH3+ 150:sc= 0.947 (180deg=-1.22!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -117:sc= 0.0932 (180deg=0) USER MOD Set 4.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 118:sc= 0.0241 USER MOD Single : A 17 SER OG : rot 35:sc= 0.98 USER MOD Single : A 18 LYS NZ :NH3+ -127:sc= -1.22! (180deg=-6.4!) USER MOD Single : A 20 CYS SG : rot -131:sc= -1.24 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00575) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.6!) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= -0.179 (180deg=-2.32!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 45 ASN : amide:sc= 0.0101 K(o=0.01,f=-4.5!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc=-0.00891 (180deg=-0.234) USER MOD Single : A 48 THR OG1 : rot -130:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.0453 K(o=0.045,f=-3.2!) USER MOD Single : A 60 ASN : amide:sc= -0.6 K(o=-0.6,f=-1.3) USER MOD Single : A 70 ASN : amide:sc= -1.47! C(o=-1.5!,f=-6.3!) USER MOD Single : A 71 MET CE :methyl -173:sc= 0 (180deg=-0.0774) USER MOD Single : A 74 THR OG1 : rot 29:sc= -0.395 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0572 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.59) USER MOD Single : A 80 ASN : amide:sc= -0.856 K(o=-0.86,f=-1.9) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.3!) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0.03 (180deg=0.0293) USER MOD Single : A 95 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.7!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 162:sc= -0.0386 (180deg=-0.496) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 150:sc= -0.259 USER MOD Single : A 109 SER OG : rot 89:sc= -1.36 USER MOD Single : A 117 LYS NZ :NH3+ -121:sc= -2.14! (180deg=-4.05!) USER MOD Single : A 122 LYS NZ :NH3+ -115:sc= -4.6! (180deg=-7.24!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 7.809 15.576 -12.481 1.00 0.00 N ATOM 2 CA GLU A 8 6.507 15.925 -13.038 1.00 0.00 C ATOM 3 C GLU A 8 6.103 14.942 -14.134 1.00 0.00 C ATOM 4 O GLU A 8 5.224 15.228 -14.946 1.00 0.00 O ATOM 5 CB GLU A 8 6.532 17.348 -13.598 1.00 0.00 C ATOM 6 CG GLU A 8 6.953 18.395 -12.581 1.00 0.00 C ATOM 7 CD GLU A 8 8.454 18.606 -12.547 1.00 0.00 C ATOM 8 OE1 GLU A 8 9.060 18.727 -13.633 1.00 0.00 O ATOM 9 OE2 GLU A 8 9.023 18.651 -11.437 1.00 0.00 O ATOM 0 HA GLU A 8 5.771 15.871 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.215 17.383 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.541 17.598 -13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.462 19.340 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.610 18.093 -11.591 1.00 0.00 H new ATOM 16 N VAL A 9 6.754 13.783 -14.150 1.00 0.00 N ATOM 17 CA VAL A 9 6.463 12.757 -15.144 1.00 0.00 C ATOM 18 C VAL A 9 5.067 12.177 -14.944 1.00 0.00 C ATOM 19 O VAL A 9 4.756 11.630 -13.886 1.00 0.00 O ATOM 20 CB VAL A 9 7.494 11.614 -15.089 1.00 0.00 C ATOM 21 CG1 VAL A 9 8.886 12.135 -15.414 1.00 0.00 C ATOM 22 CG2 VAL A 9 7.472 10.942 -13.725 1.00 0.00 C ATOM 0 H VAL A 9 7.486 13.531 -13.486 1.00 0.00 H new ATOM 0 HA VAL A 9 6.517 13.239 -16.120 1.00 0.00 H new ATOM 0 HB VAL A 9 7.226 10.870 -15.839 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.601 11.314 -15.370 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.889 12.566 -16.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.167 12.899 -14.689 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.207 10.137 -13.704 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.714 11.674 -12.955 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.479 10.532 -13.537 1.00 0.00 H new ATOM 32 N LYS A 10 4.229 12.301 -15.968 1.00 0.00 N ATOM 33 CA LYS A 10 2.866 11.788 -15.907 1.00 0.00 C ATOM 34 C LYS A 10 2.706 10.560 -16.799 1.00 0.00 C ATOM 35 O LYS A 10 1.589 10.170 -17.137 1.00 0.00 O ATOM 36 CB LYS A 10 1.872 12.872 -16.331 1.00 0.00 C ATOM 37 CG LYS A 10 1.569 13.881 -15.236 1.00 0.00 C ATOM 38 CD LYS A 10 0.438 14.814 -15.635 1.00 0.00 C ATOM 39 CE LYS A 10 -0.916 14.253 -15.230 1.00 0.00 C ATOM 40 NZ LYS A 10 -2.020 15.213 -15.508 1.00 0.00 N ATOM 0 H LYS A 10 4.470 12.753 -16.850 1.00 0.00 H new ATOM 0 HA LYS A 10 2.660 11.497 -14.877 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.269 13.398 -17.199 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.942 12.398 -16.644 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.302 13.355 -14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.464 14.464 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.585 15.787 -15.166 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.459 14.973 -16.713 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.099 13.323 -15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.905 14.010 -14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.926 14.793 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.859 16.091 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.047 15.426 -16.526 1.00 0.00 H new ATOM 54 N GLU A 11 3.829 9.956 -17.173 1.00 0.00 N ATOM 55 CA GLU A 11 3.812 8.773 -18.025 1.00 0.00 C ATOM 56 C GLU A 11 3.525 7.517 -17.206 1.00 0.00 C ATOM 57 O GLU A 11 3.729 6.398 -17.675 1.00 0.00 O ATOM 58 CB GLU A 11 5.147 8.624 -18.756 1.00 0.00 C ATOM 59 CG GLU A 11 5.038 7.880 -20.077 1.00 0.00 C ATOM 60 CD GLU A 11 6.390 7.466 -20.626 1.00 0.00 C ATOM 61 OE1 GLU A 11 7.372 8.204 -20.403 1.00 0.00 O ATOM 62 OE2 GLU A 11 6.465 6.404 -21.279 1.00 0.00 O ATOM 0 H GLU A 11 4.762 10.266 -16.900 1.00 0.00 H new ATOM 0 HA GLU A 11 3.016 8.897 -18.759 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.564 9.614 -18.940 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.849 8.098 -18.109 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.418 6.994 -19.941 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.532 8.513 -20.806 1.00 0.00 H new ATOM 69 N GLU A 12 3.052 7.713 -15.979 1.00 0.00 N ATOM 70 CA GLU A 12 2.739 6.597 -15.094 1.00 0.00 C ATOM 71 C GLU A 12 1.312 6.706 -14.566 1.00 0.00 C ATOM 72 O GLU A 12 0.867 7.782 -14.166 1.00 0.00 O ATOM 73 CB GLU A 12 3.726 6.552 -13.925 1.00 0.00 C ATOM 74 CG GLU A 12 5.142 6.188 -14.338 1.00 0.00 C ATOM 75 CD GLU A 12 5.956 7.396 -14.759 1.00 0.00 C ATOM 76 OE1 GLU A 12 5.853 7.799 -15.936 1.00 0.00 O ATOM 77 OE2 GLU A 12 6.696 7.938 -13.911 1.00 0.00 O ATOM 0 H GLU A 12 2.877 8.633 -15.576 1.00 0.00 H new ATOM 0 HA GLU A 12 2.826 5.675 -15.669 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.739 7.525 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.373 5.828 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.642 5.689 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.104 5.475 -15.162 1.00 0.00 H new ATOM 84 N ASP A 13 0.600 5.584 -14.568 1.00 0.00 N ATOM 85 CA ASP A 13 -0.777 5.552 -14.088 1.00 0.00 C ATOM 86 C ASP A 13 -0.883 6.170 -12.698 1.00 0.00 C ATOM 87 O ASP A 13 -1.765 6.988 -12.437 1.00 0.00 O ATOM 88 CB ASP A 13 -1.296 4.113 -14.061 1.00 0.00 C ATOM 89 CG ASP A 13 -2.794 4.034 -14.279 1.00 0.00 C ATOM 90 OD1 ASP A 13 -3.532 4.794 -13.617 1.00 0.00 O ATOM 91 OD2 ASP A 13 -3.229 3.213 -15.113 1.00 0.00 O ATOM 0 H ASP A 13 0.953 4.685 -14.896 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.389 6.138 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.789 3.532 -14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.047 3.658 -13.102 1.00 0.00 H new ATOM 96 N ALA A 14 0.022 5.774 -11.809 1.00 0.00 N ATOM 97 CA ALA A 14 0.030 6.290 -10.446 1.00 0.00 C ATOM 98 C ALA A 14 0.868 7.561 -10.345 1.00 0.00 C ATOM 99 O ALA A 14 2.033 7.581 -10.741 1.00 0.00 O ATOM 100 CB ALA A 14 0.554 5.233 -9.484 1.00 0.00 C ATOM 0 H ALA A 14 0.759 5.098 -12.008 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.995 6.539 -10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.554 5.632 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.087 4.352 -9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.570 4.957 -9.765 1.00 0.00 H new ATOM 106 N PHE A 15 0.266 8.620 -9.814 1.00 0.00 N ATOM 107 CA PHE A 15 0.956 9.895 -9.663 1.00 0.00 C ATOM 108 C PHE A 15 2.157 9.757 -8.731 1.00 0.00 C ATOM 109 O PHE A 15 3.244 10.255 -9.024 1.00 0.00 O ATOM 110 CB PHE A 15 -0.003 10.958 -9.123 1.00 0.00 C ATOM 111 CG PHE A 15 -0.854 10.474 -7.984 1.00 0.00 C ATOM 112 CD1 PHE A 15 -0.395 10.548 -6.679 1.00 0.00 C ATOM 113 CD2 PHE A 15 -2.113 9.945 -8.219 1.00 0.00 C ATOM 114 CE1 PHE A 15 -1.176 10.103 -5.628 1.00 0.00 C ATOM 115 CE2 PHE A 15 -2.899 9.499 -7.172 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.429 9.578 -5.876 1.00 0.00 C ATOM 0 H PHE A 15 -0.698 8.620 -9.481 1.00 0.00 H new ATOM 0 HA PHE A 15 1.314 10.204 -10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.574 11.822 -8.794 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.651 11.296 -9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.584 10.958 -6.480 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.485 9.880 -9.231 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.807 10.166 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.879 9.090 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.041 9.230 -5.057 1.00 0.00 H new ATOM 126 N TYR A 16 1.951 9.079 -7.608 1.00 0.00 N ATOM 127 CA TYR A 16 3.014 8.878 -6.630 1.00 0.00 C ATOM 128 C TYR A 16 3.828 7.630 -6.960 1.00 0.00 C ATOM 129 O TYR A 16 3.289 6.526 -7.033 1.00 0.00 O ATOM 130 CB TYR A 16 2.426 8.760 -5.223 1.00 0.00 C ATOM 131 CG TYR A 16 3.473 8.682 -4.135 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.080 7.474 -3.813 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.854 9.816 -3.428 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.036 7.398 -2.818 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.810 9.749 -2.433 1.00 0.00 C ATOM 136 CZ TYR A 16 5.398 8.538 -2.132 1.00 0.00 C ATOM 137 OH TYR A 16 6.350 8.468 -1.141 1.00 0.00 O ATOM 0 H TYR A 16 1.057 8.659 -7.352 1.00 0.00 H new ATOM 0 HA TYR A 16 3.676 9.743 -6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.781 9.618 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.796 7.872 -5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.800 6.579 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.395 10.766 -3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.497 6.451 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.096 10.640 -1.894 1.00 0.00 H new ATOM 0 HH TYR A 16 7.122 9.018 -1.389 1.00 0.00 H new ATOM 147 N SER A 17 5.129 7.816 -7.158 1.00 0.00 N ATOM 148 CA SER A 17 6.018 6.707 -7.483 1.00 0.00 C ATOM 149 C SER A 17 7.358 6.857 -6.769 1.00 0.00 C ATOM 150 O SER A 17 8.177 7.702 -7.132 1.00 0.00 O ATOM 151 CB SER A 17 6.239 6.629 -8.995 1.00 0.00 C ATOM 152 OG SER A 17 6.929 7.773 -9.469 1.00 0.00 O ATOM 0 H SER A 17 5.591 8.724 -7.099 1.00 0.00 H new ATOM 0 HA SER A 17 5.547 5.785 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.808 5.731 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.278 6.544 -9.502 1.00 0.00 H new ATOM 0 HG SER A 17 7.574 8.069 -8.794 1.00 0.00 H new ATOM 158 N LYS A 18 7.574 6.032 -5.751 1.00 0.00 N ATOM 159 CA LYS A 18 8.814 6.070 -4.984 1.00 0.00 C ATOM 160 C LYS A 18 9.225 4.669 -4.543 1.00 0.00 C ATOM 161 O LYS A 18 8.389 3.871 -4.117 1.00 0.00 O ATOM 162 CB LYS A 18 8.654 6.975 -3.760 1.00 0.00 C ATOM 163 CG LYS A 18 9.968 7.318 -3.081 1.00 0.00 C ATOM 164 CD LYS A 18 10.778 8.309 -3.900 1.00 0.00 C ATOM 165 CE LYS A 18 10.444 9.745 -3.527 1.00 0.00 C ATOM 166 NZ LYS A 18 11.151 10.175 -2.288 1.00 0.00 N ATOM 0 H LYS A 18 6.906 5.328 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 18 9.596 6.473 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.160 7.898 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.999 6.485 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.770 7.736 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.549 6.408 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.841 8.129 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.582 8.152 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.717 10.407 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.368 9.842 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.461 10.555 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.639 9.359 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.847 10.911 -2.523 1.00 0.00 H new ATOM 180 N LYS A 19 10.517 4.376 -4.646 1.00 0.00 N ATOM 181 CA LYS A 19 11.039 3.072 -4.256 1.00 0.00 C ATOM 182 C LYS A 19 11.142 2.959 -2.738 1.00 0.00 C ATOM 183 O LYS A 19 11.512 3.917 -2.059 1.00 0.00 O ATOM 184 CB LYS A 19 12.413 2.840 -4.889 1.00 0.00 C ATOM 185 CG LYS A 19 12.350 2.173 -6.252 1.00 0.00 C ATOM 186 CD LYS A 19 13.589 1.336 -6.521 1.00 0.00 C ATOM 187 CE LYS A 19 13.522 -0.006 -5.807 1.00 0.00 C ATOM 188 NZ LYS A 19 12.807 -1.030 -6.619 1.00 0.00 N ATOM 0 H LYS A 19 11.222 5.025 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 19 10.347 2.310 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.925 3.797 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.013 2.223 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.464 1.541 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.249 2.934 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.694 1.174 -7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.475 1.880 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.532 -0.354 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.016 0.117 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.949 -1.334 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.543 -0.622 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.429 -1.850 -6.770 1.00 0.00 H new ATOM 202 N CYS A 20 10.813 1.784 -2.213 1.00 0.00 N ATOM 203 CA CYS A 20 10.869 1.546 -0.775 1.00 0.00 C ATOM 204 C CYS A 20 10.837 0.053 -0.469 1.00 0.00 C ATOM 205 O CYS A 20 10.735 -0.776 -1.374 1.00 0.00 O ATOM 206 CB CYS A 20 9.703 2.247 -0.076 1.00 0.00 C ATOM 207 SG CYS A 20 8.080 1.844 -0.763 1.00 0.00 S ATOM 0 H CYS A 20 10.505 0.981 -2.762 1.00 0.00 H new ATOM 0 HA CYS A 20 11.807 1.955 -0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.714 1.981 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.853 3.325 -0.135 1.00 0.00 H new ATOM 0 HG CYS A 20 7.414 2.940 -0.976 1.00 0.00 H new ATOM 213 N LYS A 21 10.927 -0.285 0.813 1.00 0.00 N ATOM 214 CA LYS A 21 10.909 -1.680 1.240 1.00 0.00 C ATOM 215 C LYS A 21 9.700 -1.962 2.126 1.00 0.00 C ATOM 216 O LYS A 21 9.477 -1.277 3.125 1.00 0.00 O ATOM 217 CB LYS A 21 12.197 -2.020 1.993 1.00 0.00 C ATOM 218 CG LYS A 21 13.414 -2.141 1.092 1.00 0.00 C ATOM 219 CD LYS A 21 14.643 -2.582 1.871 1.00 0.00 C ATOM 220 CE LYS A 21 15.906 -2.466 1.031 1.00 0.00 C ATOM 221 NZ LYS A 21 16.372 -1.056 0.922 1.00 0.00 N ATOM 0 H LYS A 21 11.013 0.388 1.575 1.00 0.00 H new ATOM 0 HA LYS A 21 10.839 -2.306 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.384 -1.250 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.058 -2.959 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.209 -2.858 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.610 -1.182 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.744 -1.972 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.516 -3.614 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.694 -3.076 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.717 -2.864 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.262 -1.025 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.651 -0.489 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.528 -0.667 1.874 1.00 0.00 H new ATOM 235 N LEU A 22 8.924 -2.974 1.755 1.00 0.00 N ATOM 236 CA LEU A 22 7.737 -3.347 2.517 1.00 0.00 C ATOM 237 C LEU A 22 8.101 -4.280 3.668 1.00 0.00 C ATOM 238 O LEU A 22 8.983 -5.130 3.537 1.00 0.00 O ATOM 239 CB LEU A 22 6.712 -4.022 1.604 1.00 0.00 C ATOM 240 CG LEU A 22 5.699 -3.094 0.931 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.854 -3.864 -0.072 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.815 -2.425 1.974 1.00 0.00 C ATOM 0 H LEU A 22 9.095 -3.551 0.931 1.00 0.00 H new ATOM 0 HA LEU A 22 7.302 -2.438 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.249 -4.565 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.165 -4.761 2.189 1.00 0.00 H new ATOM 0 HG LEU A 22 6.245 -2.318 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.139 -3.188 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.500 -4.296 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.316 -4.661 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.100 -1.768 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.277 -3.187 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.434 -1.840 2.654 1.00 0.00 H new ATOM 254 N PHE A 23 7.415 -4.117 4.794 1.00 0.00 N ATOM 255 CA PHE A 23 7.665 -4.945 5.968 1.00 0.00 C ATOM 256 C PHE A 23 6.371 -5.213 6.730 1.00 0.00 C ATOM 257 O PHE A 23 5.586 -4.299 6.985 1.00 0.00 O ATOM 258 CB PHE A 23 8.681 -4.266 6.890 1.00 0.00 C ATOM 259 CG PHE A 23 10.001 -3.992 6.229 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.992 -4.960 6.201 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.252 -2.766 5.634 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.208 -4.712 5.593 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.466 -2.511 5.024 1.00 0.00 C ATOM 264 CZ PHE A 23 12.445 -3.485 5.005 1.00 0.00 C ATOM 0 H PHE A 23 6.682 -3.419 4.919 1.00 0.00 H new ATOM 0 HA PHE A 23 8.071 -5.898 5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.262 -3.326 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.845 -4.897 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.812 -5.921 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.490 -2.001 5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.971 -5.476 5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.649 -1.552 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.395 -3.287 4.531 1.00 0.00 H new ATOM 274 N TYR A 24 6.154 -6.474 7.090 1.00 0.00 N ATOM 275 CA TYR A 24 4.954 -6.865 7.819 1.00 0.00 C ATOM 276 C TYR A 24 5.313 -7.488 9.165 1.00 0.00 C ATOM 277 O TYR A 24 6.339 -8.154 9.300 1.00 0.00 O ATOM 278 CB TYR A 24 4.127 -7.851 6.992 1.00 0.00 C ATOM 279 CG TYR A 24 4.882 -9.105 6.614 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.756 -9.114 5.533 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.723 -10.280 7.337 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.447 -10.258 5.183 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.411 -11.429 6.996 1.00 0.00 C ATOM 284 CZ TYR A 24 6.271 -11.413 5.918 1.00 0.00 C ATOM 285 OH TYR A 24 6.959 -12.554 5.573 1.00 0.00 O ATOM 0 H TYR A 24 6.794 -7.242 6.888 1.00 0.00 H new ATOM 0 HA TYR A 24 4.362 -5.968 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.237 -8.129 7.556 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.786 -7.354 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.897 -8.211 4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.049 -10.296 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.121 -10.249 4.339 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.276 -12.334 7.570 1.00 0.00 H new ATOM 0 HH TYR A 24 6.724 -13.277 6.191 1.00 0.00 H new ATOM 295 N LYS A 25 4.459 -7.266 10.159 1.00 0.00 N ATOM 296 CA LYS A 25 4.682 -7.806 11.494 1.00 0.00 C ATOM 297 C LYS A 25 3.968 -9.143 11.667 1.00 0.00 C ATOM 298 O LYS A 25 2.739 -9.212 11.629 1.00 0.00 O ATOM 299 CB LYS A 25 4.197 -6.816 12.555 1.00 0.00 C ATOM 300 CG LYS A 25 4.754 -7.088 13.942 1.00 0.00 C ATOM 301 CD LYS A 25 4.583 -5.887 14.857 1.00 0.00 C ATOM 302 CE LYS A 25 4.972 -6.218 16.290 1.00 0.00 C ATOM 303 NZ LYS A 25 6.440 -6.096 16.508 1.00 0.00 N ATOM 0 H LYS A 25 3.606 -6.715 10.064 1.00 0.00 H new ATOM 0 HA LYS A 25 5.753 -7.967 11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.476 -5.807 12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.108 -6.847 12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.249 -7.951 14.375 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.811 -7.342 13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.195 -5.062 14.494 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.546 -5.551 14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.447 -5.550 16.973 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.652 -7.233 16.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.665 -6.330 17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.941 -6.752 15.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.741 -5.121 16.306 1.00 0.00 H new ATOM 317 N LYS A 26 4.745 -10.203 11.860 1.00 0.00 N ATOM 318 CA LYS A 26 4.187 -11.538 12.042 1.00 0.00 C ATOM 319 C LYS A 26 4.966 -12.313 13.100 1.00 0.00 C ATOM 320 O LYS A 26 6.192 -12.227 13.170 1.00 0.00 O ATOM 321 CB LYS A 26 4.204 -12.305 10.717 1.00 0.00 C ATOM 322 CG LYS A 26 5.600 -12.671 10.244 1.00 0.00 C ATOM 323 CD LYS A 26 5.595 -13.957 9.434 1.00 0.00 C ATOM 324 CE LYS A 26 5.411 -15.176 10.325 1.00 0.00 C ATOM 325 NZ LYS A 26 4.809 -16.318 9.584 1.00 0.00 N ATOM 0 H LYS A 26 5.764 -10.164 11.894 1.00 0.00 H new ATOM 0 HA LYS A 26 3.156 -11.431 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.616 -13.216 10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.717 -11.702 9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.004 -11.860 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.259 -12.785 11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.794 -13.920 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.532 -14.045 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.376 -15.476 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.774 -14.915 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.700 -17.129 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.877 -16.040 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.429 -16.584 8.792 1.00 0.00 H new ATOM 339 N ASP A 27 4.246 -13.071 13.920 1.00 0.00 N ATOM 340 CA ASP A 27 4.870 -13.864 14.973 1.00 0.00 C ATOM 341 C ASP A 27 5.791 -13.001 15.830 1.00 0.00 C ATOM 342 O ASP A 27 6.842 -13.455 16.280 1.00 0.00 O ATOM 343 CB ASP A 27 5.657 -15.027 14.368 1.00 0.00 C ATOM 344 CG ASP A 27 6.313 -15.894 15.424 1.00 0.00 C ATOM 345 OD1 ASP A 27 5.834 -15.890 16.577 1.00 0.00 O ATOM 346 OD2 ASP A 27 7.306 -16.577 15.097 1.00 0.00 O ATOM 0 H ASP A 27 3.230 -13.153 13.876 1.00 0.00 H new ATOM 0 HA ASP A 27 4.080 -14.263 15.609 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.988 -15.639 13.764 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.422 -14.635 13.698 1.00 0.00 H new ATOM 351 N ASN A 28 5.389 -11.753 16.050 1.00 0.00 N ATOM 352 CA ASN A 28 6.179 -10.826 16.851 1.00 0.00 C ATOM 353 C ASN A 28 7.533 -10.560 16.199 1.00 0.00 C ATOM 354 O ASN A 28 8.571 -10.620 16.856 1.00 0.00 O ATOM 355 CB ASN A 28 6.381 -11.382 18.262 1.00 0.00 C ATOM 356 CG ASN A 28 5.149 -11.214 19.131 1.00 0.00 C ATOM 357 OD1 ASN A 28 4.026 -11.156 18.630 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.355 -11.134 20.440 1.00 0.00 N ATOM 0 H ASN A 28 4.521 -11.361 15.685 1.00 0.00 H new ATOM 0 HA ASN A 28 5.634 -9.884 16.913 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.637 -12.440 18.200 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.225 -10.877 18.731 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.565 -11.020 21.075 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.304 -11.187 20.811 1.00 0.00 H new ATOM 365 N GLU A 29 7.511 -10.266 14.903 1.00 0.00 N ATOM 366 CA GLU A 29 8.737 -9.992 14.162 1.00 0.00 C ATOM 367 C GLU A 29 8.432 -9.270 12.853 1.00 0.00 C ATOM 368 O GLU A 29 7.326 -9.367 12.321 1.00 0.00 O ATOM 369 CB GLU A 29 9.489 -11.294 13.876 1.00 0.00 C ATOM 370 CG GLU A 29 10.484 -11.673 14.960 1.00 0.00 C ATOM 371 CD GLU A 29 11.421 -12.784 14.528 1.00 0.00 C ATOM 372 OE1 GLU A 29 10.969 -13.945 14.445 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.609 -12.492 14.274 1.00 0.00 O ATOM 0 H GLU A 29 6.659 -10.211 14.345 1.00 0.00 H new ATOM 0 HA GLU A 29 9.365 -9.346 14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.767 -12.102 13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.017 -11.198 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.069 -10.795 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.942 -11.986 15.852 1.00 0.00 H new ATOM 380 N PHE A 30 9.421 -8.546 12.339 1.00 0.00 N ATOM 381 CA PHE A 30 9.258 -7.806 11.093 1.00 0.00 C ATOM 382 C PHE A 30 9.825 -8.593 9.915 1.00 0.00 C ATOM 383 O PHE A 30 11.033 -8.812 9.823 1.00 0.00 O ATOM 384 CB PHE A 30 9.949 -6.444 11.191 1.00 0.00 C ATOM 385 CG PHE A 30 9.084 -5.375 11.794 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.225 -4.630 11.001 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.129 -5.114 13.154 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.427 -3.646 11.554 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.333 -4.131 13.712 1.00 0.00 C ATOM 390 CZ PHE A 30 7.482 -3.396 12.911 1.00 0.00 C ATOM 0 H PHE A 30 10.343 -8.456 12.766 1.00 0.00 H new ATOM 0 HA PHE A 30 8.192 -7.654 10.926 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.855 -6.547 11.789 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.259 -6.130 10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.179 -4.821 9.939 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.794 -5.685 13.785 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.761 -3.073 10.925 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.377 -3.938 14.774 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.860 -2.627 13.345 1.00 0.00 H new ATOM 400 N LYS A 31 8.944 -9.017 9.016 1.00 0.00 N ATOM 401 CA LYS A 31 9.354 -9.779 7.842 1.00 0.00 C ATOM 402 C LYS A 31 9.211 -8.944 6.574 1.00 0.00 C ATOM 403 O LYS A 31 8.378 -8.041 6.506 1.00 0.00 O ATOM 404 CB LYS A 31 8.520 -11.056 7.722 1.00 0.00 C ATOM 405 CG LYS A 31 8.948 -12.155 8.680 1.00 0.00 C ATOM 406 CD LYS A 31 10.131 -12.939 8.136 1.00 0.00 C ATOM 407 CE LYS A 31 9.678 -14.073 7.230 1.00 0.00 C ATOM 408 NZ LYS A 31 9.574 -13.640 5.809 1.00 0.00 N ATOM 0 H LYS A 31 7.940 -8.846 9.078 1.00 0.00 H new ATOM 0 HA LYS A 31 10.404 -10.048 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.473 -10.814 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.588 -11.430 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.212 -11.717 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.112 -12.832 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.789 -12.269 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.713 -13.344 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.382 -14.902 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.710 -14.444 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.768 -14.449 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.615 -13.283 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.266 -12.886 5.624 1.00 0.00 H new ATOM 422 N GLU A 32 10.027 -9.254 5.571 1.00 0.00 N ATOM 423 CA GLU A 32 9.990 -8.531 4.305 1.00 0.00 C ATOM 424 C GLU A 32 8.947 -9.132 3.367 1.00 0.00 C ATOM 425 O GLU A 32 8.996 -10.318 3.042 1.00 0.00 O ATOM 426 CB GLU A 32 11.366 -8.555 3.638 1.00 0.00 C ATOM 427 CG GLU A 32 11.401 -7.855 2.290 1.00 0.00 C ATOM 428 CD GLU A 32 12.680 -8.129 1.523 1.00 0.00 C ATOM 429 OE1 GLU A 32 13.770 -7.871 2.076 1.00 0.00 O ATOM 430 OE2 GLU A 32 12.592 -8.601 0.370 1.00 0.00 O ATOM 0 H GLU A 32 10.721 -10.000 5.611 1.00 0.00 H new ATOM 0 HA GLU A 32 9.714 -7.497 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.091 -8.083 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.680 -9.591 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.548 -8.180 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.295 -6.781 2.440 1.00 0.00 H new ATOM 437 N LYS A 33 8.002 -8.304 2.935 1.00 0.00 N ATOM 438 CA LYS A 33 6.946 -8.750 2.033 1.00 0.00 C ATOM 439 C LYS A 33 7.455 -8.832 0.598 1.00 0.00 C ATOM 440 O LYS A 33 7.202 -9.809 -0.106 1.00 0.00 O ATOM 441 CB LYS A 33 5.748 -7.801 2.108 1.00 0.00 C ATOM 442 CG LYS A 33 4.692 -8.070 1.049 1.00 0.00 C ATOM 443 CD LYS A 33 3.915 -9.341 1.348 1.00 0.00 C ATOM 444 CE LYS A 33 3.085 -9.780 0.151 1.00 0.00 C ATOM 445 NZ LYS A 33 2.912 -11.259 0.109 1.00 0.00 N ATOM 0 H LYS A 33 7.946 -7.319 3.195 1.00 0.00 H new ATOM 0 HA LYS A 33 6.632 -9.746 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.291 -7.883 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.101 -6.775 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.004 -7.226 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.168 -8.155 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.608 -10.136 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.262 -9.177 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.107 -9.301 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.566 -9.444 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.341 -11.518 -0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.844 -11.716 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.430 -11.577 0.974 1.00 0.00 H new ATOM 459 N GLY A 34 8.175 -7.799 0.170 1.00 0.00 N ATOM 460 CA GLY A 34 8.710 -7.775 -1.179 1.00 0.00 C ATOM 461 C GLY A 34 9.191 -6.397 -1.588 1.00 0.00 C ATOM 462 O GLY A 34 8.409 -5.447 -1.631 1.00 0.00 O ATOM 0 H GLY A 34 8.397 -6.978 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.537 -8.481 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.943 -8.110 -1.877 1.00 0.00 H new ATOM 466 N ILE A 35 10.481 -6.288 -1.887 1.00 0.00 N ATOM 467 CA ILE A 35 11.065 -5.016 -2.294 1.00 0.00 C ATOM 468 C ILE A 35 10.660 -4.655 -3.719 1.00 0.00 C ATOM 469 O ILE A 35 10.836 -5.446 -4.645 1.00 0.00 O ATOM 470 CB ILE A 35 12.602 -5.047 -2.201 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.042 -5.545 -0.823 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.177 -3.666 -2.480 1.00 0.00 C ATOM 473 CD1 ILE A 35 14.516 -5.872 -0.741 1.00 0.00 C ATOM 0 H ILE A 35 11.141 -7.065 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 35 10.683 -4.260 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 35 12.983 -5.737 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 35 12.805 -4.785 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.466 -6.434 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.264 -3.704 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.888 -3.347 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.791 -2.957 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.756 -6.219 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.756 -6.654 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.100 -4.979 -0.966 1.00 0.00 H new ATOM 485 N GLY A 36 10.116 -3.453 -3.888 1.00 0.00 N ATOM 486 CA GLY A 36 9.696 -3.008 -5.204 1.00 0.00 C ATOM 487 C GLY A 36 9.507 -1.506 -5.274 1.00 0.00 C ATOM 488 O GLY A 36 10.344 -0.743 -4.791 1.00 0.00 O ATOM 0 H GLY A 36 9.959 -2.780 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.439 -3.313 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.761 -3.502 -5.470 1.00 0.00 H new ATOM 492 N THR A 37 8.404 -1.077 -5.880 1.00 0.00 N ATOM 493 CA THR A 37 8.109 0.344 -6.015 1.00 0.00 C ATOM 494 C THR A 37 6.676 0.650 -5.593 1.00 0.00 C ATOM 495 O THR A 37 5.735 -0.022 -6.019 1.00 0.00 O ATOM 496 CB THR A 37 8.320 0.827 -7.462 1.00 0.00 C ATOM 497 OG1 THR A 37 9.638 0.483 -7.905 1.00 0.00 O ATOM 498 CG2 THR A 37 8.121 2.331 -7.565 1.00 0.00 C ATOM 0 H THR A 37 7.700 -1.694 -6.285 1.00 0.00 H new ATOM 0 HA THR A 37 8.800 0.874 -5.359 1.00 0.00 H new ATOM 0 HB THR A 37 7.583 0.335 -8.097 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.764 0.792 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.275 2.649 -8.596 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.108 2.586 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.837 2.838 -6.918 1.00 0.00 H new ATOM 506 N LEU A 38 6.516 1.668 -4.755 1.00 0.00 N ATOM 507 CA LEU A 38 5.196 2.065 -4.276 1.00 0.00 C ATOM 508 C LEU A 38 4.493 2.958 -5.294 1.00 0.00 C ATOM 509 O LEU A 38 5.107 3.846 -5.885 1.00 0.00 O ATOM 510 CB LEU A 38 5.316 2.795 -2.937 1.00 0.00 C ATOM 511 CG LEU A 38 4.014 2.989 -2.160 1.00 0.00 C ATOM 512 CD1 LEU A 38 3.057 3.880 -2.936 1.00 0.00 C ATOM 513 CD2 LEU A 38 3.367 1.645 -1.858 1.00 0.00 C ATOM 0 H LEU A 38 7.284 2.234 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 38 4.600 1.163 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.013 2.243 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.757 3.775 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 38 4.248 3.478 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.136 4.007 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.519 4.854 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.829 3.419 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.441 1.803 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.147 1.129 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.048 1.039 -1.260 1.00 0.00 H new ATOM 525 N HIS A 39 3.201 2.717 -5.492 1.00 0.00 N ATOM 526 CA HIS A 39 2.413 3.501 -6.436 1.00 0.00 C ATOM 527 C HIS A 39 1.074 3.902 -5.824 1.00 0.00 C ATOM 528 O HIS A 39 0.630 3.316 -4.836 1.00 0.00 O ATOM 529 CB HIS A 39 2.182 2.708 -7.722 1.00 0.00 C ATOM 530 CG HIS A 39 3.318 2.799 -8.694 1.00 0.00 C ATOM 531 ND1 HIS A 39 3.605 3.941 -9.412 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.242 1.881 -9.064 1.00 0.00 C ATOM 533 CE1 HIS A 39 4.655 3.721 -10.182 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.061 2.479 -9.990 1.00 0.00 N ATOM 0 H HIS A 39 2.678 1.985 -5.011 1.00 0.00 H new ATOM 0 HA HIS A 39 2.971 4.407 -6.672 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.015 1.661 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.273 3.069 -8.203 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.320 0.868 -8.699 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.105 4.436 -10.855 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.854 2.036 -10.454 1.00 0.00 H new ATOM 542 N LEU A 40 0.436 4.905 -6.417 1.00 0.00 N ATOM 543 CA LEU A 40 -0.853 5.386 -5.930 1.00 0.00 C ATOM 544 C LEU A 40 -1.723 5.875 -7.083 1.00 0.00 C ATOM 545 O LEU A 40 -1.468 6.931 -7.664 1.00 0.00 O ATOM 546 CB LEU A 40 -0.649 6.514 -4.916 1.00 0.00 C ATOM 547 CG LEU A 40 0.078 6.133 -3.626 1.00 0.00 C ATOM 548 CD1 LEU A 40 0.467 7.378 -2.845 1.00 0.00 C ATOM 549 CD2 LEU A 40 -0.791 5.217 -2.775 1.00 0.00 C ATOM 0 H LEU A 40 0.790 5.401 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.362 4.555 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.091 7.315 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.626 6.920 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 40 0.989 5.595 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.983 7.087 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.127 7.997 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.430 7.943 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.258 4.956 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.719 5.729 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.019 4.309 -3.334 1.00 0.00 H new ATOM 561 N LYS A 41 -2.753 5.102 -7.410 1.00 0.00 N ATOM 562 CA LYS A 41 -3.664 5.457 -8.492 1.00 0.00 C ATOM 563 C LYS A 41 -5.113 5.425 -8.015 1.00 0.00 C ATOM 564 O LYS A 41 -5.509 4.581 -7.212 1.00 0.00 O ATOM 565 CB LYS A 41 -3.483 4.501 -9.672 1.00 0.00 C ATOM 566 CG LYS A 41 -3.613 3.035 -9.294 1.00 0.00 C ATOM 567 CD LYS A 41 -2.936 2.134 -10.313 1.00 0.00 C ATOM 568 CE LYS A 41 -2.747 0.725 -9.772 1.00 0.00 C ATOM 569 NZ LYS A 41 -2.638 -0.279 -10.866 1.00 0.00 N ATOM 0 H LYS A 41 -2.978 4.225 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.428 6.471 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.223 4.737 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.502 4.667 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.171 2.871 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.668 2.770 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.535 2.098 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.967 2.554 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.848 0.690 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.587 0.468 -9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.292 -1.066 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.882 0.168 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.664 -0.641 -10.909 1.00 0.00 H new ATOM 583 N PRO A 42 -5.924 6.366 -8.522 1.00 0.00 N ATOM 584 CA PRO A 42 -7.342 6.465 -8.163 1.00 0.00 C ATOM 585 C PRO A 42 -8.165 5.312 -8.728 1.00 0.00 C ATOM 586 O PRO A 42 -7.973 4.900 -9.872 1.00 0.00 O ATOM 587 CB PRO A 42 -7.775 7.790 -8.794 1.00 0.00 C ATOM 588 CG PRO A 42 -6.828 8.000 -9.925 1.00 0.00 C ATOM 589 CD PRO A 42 -5.519 7.404 -9.484 1.00 0.00 C ATOM 0 HA PRO A 42 -7.494 6.420 -7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.806 7.743 -9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.720 8.607 -8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.191 7.517 -10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.718 9.061 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.967 6.981 -10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.873 8.150 -9.022 1.00 0.00 H new ATOM 597 N THR A 43 -9.083 4.794 -7.918 1.00 0.00 N ATOM 598 CA THR A 43 -9.934 3.688 -8.337 1.00 0.00 C ATOM 599 C THR A 43 -11.300 4.188 -8.793 1.00 0.00 C ATOM 600 O THR A 43 -11.637 5.356 -8.608 1.00 0.00 O ATOM 601 CB THR A 43 -10.128 2.666 -7.200 1.00 0.00 C ATOM 602 OG1 THR A 43 -10.841 1.523 -7.685 1.00 0.00 O ATOM 603 CG2 THR A 43 -10.887 3.288 -6.037 1.00 0.00 C ATOM 0 H THR A 43 -9.256 5.123 -6.968 1.00 0.00 H new ATOM 0 HA THR A 43 -9.431 3.201 -9.172 1.00 0.00 H new ATOM 0 HB THR A 43 -9.144 2.357 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.959 0.878 -6.957 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.012 2.548 -5.247 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.327 4.140 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.866 3.622 -6.379 1.00 0.00 H new ATOM 611 N ALA A 44 -12.083 3.295 -9.391 1.00 0.00 N ATOM 612 CA ALA A 44 -13.413 3.645 -9.871 1.00 0.00 C ATOM 613 C ALA A 44 -14.137 4.546 -8.876 1.00 0.00 C ATOM 614 O ALA A 44 -14.719 5.562 -9.254 1.00 0.00 O ATOM 615 CB ALA A 44 -14.227 2.387 -10.135 1.00 0.00 C ATOM 0 H ALA A 44 -11.818 2.324 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.301 4.195 -10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.219 2.664 -10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.725 1.780 -10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.321 1.814 -9.212 1.00 0.00 H new ATOM 621 N ASN A 45 -14.096 4.167 -7.603 1.00 0.00 N ATOM 622 CA ASN A 45 -14.749 4.941 -6.554 1.00 0.00 C ATOM 623 C ASN A 45 -14.078 6.301 -6.383 1.00 0.00 C ATOM 624 O ASN A 45 -13.090 6.604 -7.051 1.00 0.00 O ATOM 625 CB ASN A 45 -14.717 4.174 -5.230 1.00 0.00 C ATOM 626 CG ASN A 45 -15.845 4.578 -4.300 1.00 0.00 C ATOM 627 OD1 ASN A 45 -15.751 5.581 -3.593 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.918 3.796 -4.297 1.00 0.00 N ATOM 0 H ASN A 45 -13.618 3.329 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.786 5.102 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.781 3.105 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -13.762 4.349 -4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.708 4.017 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.952 2.974 -4.900 1.00 0.00 H new ATOM 635 N GLN A 46 -14.622 7.114 -5.483 1.00 0.00 N ATOM 636 CA GLN A 46 -14.076 8.441 -5.225 1.00 0.00 C ATOM 637 C GLN A 46 -12.905 8.367 -4.250 1.00 0.00 C ATOM 638 O GLN A 46 -12.494 9.378 -3.679 1.00 0.00 O ATOM 639 CB GLN A 46 -15.162 9.363 -4.668 1.00 0.00 C ATOM 640 CG GLN A 46 -16.075 9.942 -5.736 1.00 0.00 C ATOM 641 CD GLN A 46 -16.748 11.227 -5.294 1.00 0.00 C ATOM 642 OE1 GLN A 46 -17.748 11.203 -4.576 1.00 0.00 O ATOM 643 NE2 GLN A 46 -16.201 12.359 -5.722 1.00 0.00 N ATOM 0 H GLN A 46 -15.440 6.877 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 46 -13.714 8.848 -6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -15.764 8.808 -3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.689 10.181 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.496 10.132 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.837 9.207 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.372 12.332 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.610 13.255 -5.457 1.00 0.00 H new ATOM 652 N LYS A 47 -12.372 7.165 -4.063 1.00 0.00 N ATOM 653 CA LYS A 47 -11.248 6.958 -3.158 1.00 0.00 C ATOM 654 C LYS A 47 -9.987 6.587 -3.933 1.00 0.00 C ATOM 655 O LYS A 47 -10.027 6.391 -5.148 1.00 0.00 O ATOM 656 CB LYS A 47 -11.578 5.860 -2.144 1.00 0.00 C ATOM 657 CG LYS A 47 -12.790 6.172 -1.284 1.00 0.00 C ATOM 658 CD LYS A 47 -12.511 7.315 -0.321 1.00 0.00 C ATOM 659 CE LYS A 47 -11.758 6.835 0.910 1.00 0.00 C ATOM 660 NZ LYS A 47 -12.618 6.003 1.797 1.00 0.00 N ATOM 0 H LYS A 47 -12.701 6.318 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.065 7.892 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.752 4.925 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.715 5.703 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.634 6.431 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.077 5.283 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.929 8.085 -0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.452 7.774 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.888 6.256 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.387 7.695 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.191 5.950 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.563 6.432 1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.701 5.045 1.401 1.00 0.00 H new ATOM 674 N THR A 48 -8.868 6.490 -3.222 1.00 0.00 N ATOM 675 CA THR A 48 -7.596 6.142 -3.842 1.00 0.00 C ATOM 676 C THR A 48 -7.176 4.723 -3.477 1.00 0.00 C ATOM 677 O THR A 48 -7.348 4.290 -2.338 1.00 0.00 O ATOM 678 CB THR A 48 -6.481 7.119 -3.424 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.825 8.453 -3.815 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.153 6.727 -4.054 1.00 0.00 C ATOM 0 H THR A 48 -8.817 6.648 -2.216 1.00 0.00 H new ATOM 0 HA THR A 48 -7.742 6.209 -4.920 1.00 0.00 H new ATOM 0 HB THR A 48 -6.378 7.074 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.072 8.858 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.381 7.432 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.879 5.723 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.246 6.745 -5.140 1.00 0.00 H new ATOM 688 N GLN A 49 -6.624 4.005 -4.450 1.00 0.00 N ATOM 689 CA GLN A 49 -6.180 2.634 -4.229 1.00 0.00 C ATOM 690 C GLN A 49 -4.659 2.563 -4.136 1.00 0.00 C ATOM 691 O GLN A 49 -3.951 3.362 -4.750 1.00 0.00 O ATOM 692 CB GLN A 49 -6.677 1.727 -5.356 1.00 0.00 C ATOM 693 CG GLN A 49 -6.091 0.325 -5.311 1.00 0.00 C ATOM 694 CD GLN A 49 -6.182 -0.388 -6.646 1.00 0.00 C ATOM 695 OE1 GLN A 49 -6.797 0.111 -7.589 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.567 -1.562 -6.733 1.00 0.00 N ATOM 0 H GLN A 49 -6.474 4.350 -5.398 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.600 2.290 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.764 1.660 -5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.431 2.184 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.047 0.381 -5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.615 -0.260 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.069 -1.938 -5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.593 -2.088 -7.607 1.00 0.00 H new ATOM 705 N LEU A 50 -4.163 1.602 -3.365 1.00 0.00 N ATOM 706 CA LEU A 50 -2.725 1.426 -3.191 1.00 0.00 C ATOM 707 C LEU A 50 -2.269 0.082 -3.749 1.00 0.00 C ATOM 708 O LEU A 50 -2.774 -0.970 -3.353 1.00 0.00 O ATOM 709 CB LEU A 50 -2.354 1.530 -1.711 1.00 0.00 C ATOM 710 CG LEU A 50 -0.899 1.890 -1.407 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.460 1.271 -0.089 1.00 0.00 C ATOM 712 CD2 LEU A 50 0.010 1.439 -2.540 1.00 0.00 C ATOM 0 H LEU A 50 -4.735 0.933 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.218 2.218 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.997 2.278 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.579 0.577 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.824 2.974 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.578 1.538 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.092 1.644 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.551 0.186 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.041 1.703 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.069 0.359 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.290 1.931 -3.465 1.00 0.00 H new ATOM 724 N LEU A 51 -1.311 0.123 -4.668 1.00 0.00 N ATOM 725 CA LEU A 51 -0.785 -1.093 -5.279 1.00 0.00 C ATOM 726 C LEU A 51 0.733 -1.022 -5.412 1.00 0.00 C ATOM 727 O LEU A 51 1.268 -0.140 -6.083 1.00 0.00 O ATOM 728 CB LEU A 51 -1.419 -1.312 -6.654 1.00 0.00 C ATOM 729 CG LEU A 51 -0.964 -2.559 -7.412 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.759 -3.776 -6.963 1.00 0.00 C ATOM 731 CD2 LEU A 51 -1.105 -2.353 -8.913 1.00 0.00 C ATOM 0 H LEU A 51 -0.883 0.985 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.036 -1.934 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.501 -1.362 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.209 -0.439 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 51 0.088 -2.733 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.422 -4.654 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.607 -3.936 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.819 -3.611 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.776 -3.251 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.148 -2.153 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.491 -1.507 -9.223 1.00 0.00 H new ATOM 743 N VAL A 52 1.422 -1.960 -4.770 1.00 0.00 N ATOM 744 CA VAL A 52 2.879 -2.007 -4.818 1.00 0.00 C ATOM 745 C VAL A 52 3.362 -3.050 -5.819 1.00 0.00 C ATOM 746 O VAL A 52 2.990 -4.221 -5.739 1.00 0.00 O ATOM 747 CB VAL A 52 3.477 -2.323 -3.435 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.889 -2.869 -3.575 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.460 -1.084 -2.552 1.00 0.00 C ATOM 0 H VAL A 52 0.995 -2.698 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 52 3.217 -1.020 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 52 2.864 -3.089 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.295 -3.086 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.868 -3.783 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.518 -2.129 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.886 -1.325 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.049 -0.295 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.433 -0.743 -2.424 1.00 0.00 H new ATOM 759 N ARG A 53 4.193 -2.618 -6.762 1.00 0.00 N ATOM 760 CA ARG A 53 4.727 -3.515 -7.780 1.00 0.00 C ATOM 761 C ARG A 53 6.078 -4.080 -7.351 1.00 0.00 C ATOM 762 O ARG A 53 6.882 -3.388 -6.728 1.00 0.00 O ATOM 763 CB ARG A 53 4.869 -2.779 -9.114 1.00 0.00 C ATOM 764 CG ARG A 53 3.585 -2.735 -9.925 1.00 0.00 C ATOM 765 CD ARG A 53 3.819 -2.147 -11.308 1.00 0.00 C ATOM 766 NE ARG A 53 2.577 -1.692 -11.927 1.00 0.00 N ATOM 767 CZ ARG A 53 1.656 -2.515 -12.416 1.00 0.00 C ATOM 768 NH1 ARG A 53 1.836 -3.827 -12.359 1.00 0.00 N ATOM 769 NH2 ARG A 53 0.552 -2.024 -12.965 1.00 0.00 N ATOM 0 H ARG A 53 4.511 -1.652 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 53 4.029 -4.343 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.203 -1.759 -8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.646 -3.263 -9.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.179 -3.742 -10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.840 -2.140 -9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.514 -1.311 -11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.289 -2.896 -11.946 1.00 0.00 H new ATOM 0 HE ARG A 53 2.408 -0.688 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.684 -4.208 -11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.127 -4.456 -12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.411 -1.015 -13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.155 -2.656 -13.341 1.00 0.00 H new ATOM 783 N ALA A 54 6.319 -5.342 -7.690 1.00 0.00 N ATOM 784 CA ALA A 54 7.573 -6.000 -7.342 1.00 0.00 C ATOM 785 C ALA A 54 8.766 -5.255 -7.931 1.00 0.00 C ATOM 786 O ALA A 54 8.601 -4.262 -8.639 1.00 0.00 O ATOM 787 CB ALA A 54 7.561 -7.445 -7.820 1.00 0.00 C ATOM 0 H ALA A 54 5.663 -5.929 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 54 7.672 -5.989 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.503 -7.924 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.736 -7.978 -7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.435 -7.469 -8.902 1.00 0.00 H new ATOM 793 N ASP A 55 9.966 -5.741 -7.634 1.00 0.00 N ATOM 794 CA ASP A 55 11.187 -5.121 -8.135 1.00 0.00 C ATOM 795 C ASP A 55 11.667 -5.816 -9.406 1.00 0.00 C ATOM 796 O ASP A 55 12.065 -5.164 -10.372 1.00 0.00 O ATOM 797 CB ASP A 55 12.282 -5.167 -7.069 1.00 0.00 C ATOM 798 CG ASP A 55 13.649 -4.822 -7.627 1.00 0.00 C ATOM 799 OD1 ASP A 55 13.791 -3.730 -8.216 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.576 -5.645 -7.477 1.00 0.00 O ATOM 0 H ASP A 55 10.119 -6.562 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 55 10.966 -4.080 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.034 -4.471 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.314 -6.163 -6.628 1.00 0.00 H new ATOM 805 N THR A 56 11.629 -7.145 -9.398 1.00 0.00 N ATOM 806 CA THR A 56 12.062 -7.929 -10.547 1.00 0.00 C ATOM 807 C THR A 56 11.337 -7.493 -11.815 1.00 0.00 C ATOM 808 O THR A 56 10.182 -7.072 -11.767 1.00 0.00 O ATOM 809 CB THR A 56 11.822 -9.434 -10.324 1.00 0.00 C ATOM 810 OG1 THR A 56 12.231 -10.173 -11.481 1.00 0.00 O ATOM 811 CG2 THR A 56 10.354 -9.710 -10.033 1.00 0.00 C ATOM 0 H THR A 56 11.302 -7.701 -8.607 1.00 0.00 H new ATOM 0 HA THR A 56 13.131 -7.753 -10.664 1.00 0.00 H new ATOM 0 HB THR A 56 12.413 -9.750 -9.464 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.077 -11.129 -11.330 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.208 -10.779 -9.879 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.053 -9.170 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.747 -9.379 -10.876 1.00 0.00 H new ATOM 819 N ASN A 57 12.023 -7.597 -12.949 1.00 0.00 N ATOM 820 CA ASN A 57 11.443 -7.212 -14.231 1.00 0.00 C ATOM 821 C ASN A 57 10.032 -7.773 -14.379 1.00 0.00 C ATOM 822 O ASN A 57 9.069 -7.024 -14.552 1.00 0.00 O ATOM 823 CB ASN A 57 12.323 -7.705 -15.381 1.00 0.00 C ATOM 824 CG ASN A 57 13.681 -7.030 -15.400 1.00 0.00 C ATOM 825 OD1 ASN A 57 14.380 -6.988 -14.388 1.00 0.00 O ATOM 826 ND2 ASN A 57 14.060 -6.496 -16.556 1.00 0.00 N ATOM 0 H ASN A 57 12.980 -7.944 -13.006 1.00 0.00 H new ATOM 0 HA ASN A 57 11.388 -6.124 -14.265 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.457 -8.783 -15.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.816 -7.521 -16.328 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.963 -6.028 -16.630 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.448 -6.555 -17.370 1.00 0.00 H new ATOM 833 N LEU A 58 9.916 -9.095 -14.311 1.00 0.00 N ATOM 834 CA LEU A 58 8.623 -9.757 -14.437 1.00 0.00 C ATOM 835 C LEU A 58 7.512 -8.903 -13.833 1.00 0.00 C ATOM 836 O LEU A 58 6.625 -8.429 -14.541 1.00 0.00 O ATOM 837 CB LEU A 58 8.659 -11.125 -13.752 1.00 0.00 C ATOM 838 CG LEU A 58 7.490 -12.061 -14.061 1.00 0.00 C ATOM 839 CD1 LEU A 58 7.559 -12.544 -15.502 1.00 0.00 C ATOM 840 CD2 LEU A 58 7.484 -13.241 -13.101 1.00 0.00 C ATOM 0 H LEU A 58 10.702 -9.729 -14.169 1.00 0.00 H new ATOM 0 HA LEU A 58 8.415 -9.894 -15.498 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.585 -11.626 -14.035 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.698 -10.968 -12.674 1.00 0.00 H new ATOM 0 HG LEU A 58 6.561 -11.506 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.719 -13.209 -15.703 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.514 -11.688 -16.175 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.494 -13.082 -15.661 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.645 -13.897 -13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.417 -13.796 -13.200 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.385 -12.877 -12.078 1.00 0.00 H new ATOM 852 N GLY A 59 7.570 -8.710 -12.519 1.00 0.00 N ATOM 853 CA GLY A 59 6.565 -7.911 -11.842 1.00 0.00 C ATOM 854 C GLY A 59 5.392 -8.742 -11.360 1.00 0.00 C ATOM 855 O GLY A 59 4.916 -9.626 -12.070 1.00 0.00 O ATOM 0 H GLY A 59 8.295 -9.092 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.021 -7.404 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.204 -7.137 -12.519 1.00 0.00 H new ATOM 859 N ASN A 60 4.925 -8.457 -10.148 1.00 0.00 N ATOM 860 CA ASN A 60 3.802 -9.187 -9.571 1.00 0.00 C ATOM 861 C ASN A 60 3.139 -8.376 -8.462 1.00 0.00 C ATOM 862 O ASN A 60 3.762 -7.498 -7.863 1.00 0.00 O ATOM 863 CB ASN A 60 4.271 -10.535 -9.021 1.00 0.00 C ATOM 864 CG ASN A 60 3.233 -11.190 -8.131 1.00 0.00 C ATOM 865 OD1 ASN A 60 2.135 -11.521 -8.579 1.00 0.00 O ATOM 866 ND2 ASN A 60 3.576 -11.379 -6.862 1.00 0.00 N ATOM 0 H ASN A 60 5.307 -7.726 -9.547 1.00 0.00 H new ATOM 0 HA ASN A 60 3.069 -9.359 -10.359 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.506 -11.201 -9.851 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.192 -10.393 -8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.918 -11.814 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.497 -11.089 -6.534 1.00 0.00 H new ATOM 873 N ILE A 61 1.873 -8.676 -8.193 1.00 0.00 N ATOM 874 CA ILE A 61 1.126 -7.976 -7.155 1.00 0.00 C ATOM 875 C ILE A 61 1.606 -8.381 -5.765 1.00 0.00 C ATOM 876 O ILE A 61 1.430 -9.525 -5.345 1.00 0.00 O ATOM 877 CB ILE A 61 -0.385 -8.253 -7.265 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.944 -7.648 -8.555 1.00 0.00 C ATOM 879 CG2 ILE A 61 -1.115 -7.695 -6.052 1.00 0.00 C ATOM 880 CD1 ILE A 61 -2.376 -8.044 -8.836 1.00 0.00 C ATOM 0 H ILE A 61 1.343 -9.399 -8.679 1.00 0.00 H new ATOM 0 HA ILE A 61 1.303 -6.911 -7.302 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.541 -9.331 -7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.881 -6.562 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.319 -7.957 -9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.182 -7.898 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.732 -8.168 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.955 -6.618 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.706 -7.579 -9.765 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.442 -9.128 -8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.013 -7.711 -8.017 1.00 0.00 H new ATOM 892 N LEU A 62 2.211 -7.435 -5.056 1.00 0.00 N ATOM 893 CA LEU A 62 2.715 -7.691 -3.711 1.00 0.00 C ATOM 894 C LEU A 62 1.644 -7.401 -2.664 1.00 0.00 C ATOM 895 O LEU A 62 1.324 -8.254 -1.835 1.00 0.00 O ATOM 896 CB LEU A 62 3.955 -6.839 -3.439 1.00 0.00 C ATOM 897 CG LEU A 62 5.264 -7.346 -4.045 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.433 -6.488 -3.585 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.493 -8.804 -3.676 1.00 0.00 C ATOM 0 H LEU A 62 2.365 -6.483 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 62 2.985 -8.745 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.770 -5.833 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.085 -6.757 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 62 5.192 -7.274 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.356 -6.864 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.274 -5.457 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.508 -6.528 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.429 -9.148 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.544 -8.901 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.670 -9.409 -4.056 1.00 0.00 H new ATOM 911 N LEU A 63 1.093 -6.193 -2.708 1.00 0.00 N ATOM 912 CA LEU A 63 0.057 -5.790 -1.764 1.00 0.00 C ATOM 913 C LEU A 63 -0.960 -4.871 -2.432 1.00 0.00 C ATOM 914 O LEU A 63 -0.635 -3.751 -2.825 1.00 0.00 O ATOM 915 CB LEU A 63 0.682 -5.087 -0.558 1.00 0.00 C ATOM 916 CG LEU A 63 -0.282 -4.314 0.342 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.000 -5.259 1.293 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.462 -3.237 1.119 1.00 0.00 C ATOM 0 H LEU A 63 1.346 -5.476 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.459 -6.688 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.193 -5.835 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.443 -4.396 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.028 -3.830 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.682 -4.690 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.565 -5.993 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.269 -5.772 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.240 -2.697 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.230 -3.700 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.929 -2.542 0.421 1.00 0.00 H new ATOM 930 N ASN A 64 -2.194 -5.351 -2.555 1.00 0.00 N ATOM 931 CA ASN A 64 -3.259 -4.571 -3.174 1.00 0.00 C ATOM 932 C ASN A 64 -4.387 -4.306 -2.181 1.00 0.00 C ATOM 933 O ASN A 64 -5.118 -5.219 -1.797 1.00 0.00 O ATOM 934 CB ASN A 64 -3.807 -5.302 -4.401 1.00 0.00 C ATOM 935 CG ASN A 64 -4.757 -4.440 -5.211 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.521 -3.649 -4.657 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.713 -4.590 -6.530 1.00 0.00 N ATOM 0 H ASN A 64 -2.480 -6.276 -2.234 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.840 -3.614 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.977 -5.617 -5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.325 -6.206 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.328 -4.037 -7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.064 -5.258 -6.946 1.00 0.00 H new ATOM 944 N VAL A 65 -4.522 -3.049 -1.769 1.00 0.00 N ATOM 945 CA VAL A 65 -5.561 -2.662 -0.822 1.00 0.00 C ATOM 946 C VAL A 65 -6.046 -1.242 -1.088 1.00 0.00 C ATOM 947 O VAL A 65 -5.347 -0.442 -1.711 1.00 0.00 O ATOM 948 CB VAL A 65 -5.060 -2.759 0.631 1.00 0.00 C ATOM 949 CG1 VAL A 65 -4.608 -4.176 0.948 1.00 0.00 C ATOM 950 CG2 VAL A 65 -3.934 -1.765 0.873 1.00 0.00 C ATOM 0 H VAL A 65 -3.925 -2.281 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.390 -3.357 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.885 -2.509 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.258 -4.224 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.444 -4.863 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.798 -4.458 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.592 -1.847 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.106 -1.982 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.296 -0.753 0.690 1.00 0.00 H new ATOM 960 N LEU A 66 -7.247 -0.934 -0.612 1.00 0.00 N ATOM 961 CA LEU A 66 -7.827 0.392 -0.797 1.00 0.00 C ATOM 962 C LEU A 66 -7.742 1.208 0.488 1.00 0.00 C ATOM 963 O LEU A 66 -7.941 0.681 1.584 1.00 0.00 O ATOM 964 CB LEU A 66 -9.285 0.274 -1.245 1.00 0.00 C ATOM 965 CG LEU A 66 -10.080 1.580 -1.293 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.484 2.529 -2.321 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.543 1.303 -1.606 1.00 0.00 C ATOM 0 H LEU A 66 -7.839 -1.584 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.256 0.907 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.304 -0.176 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.796 -0.415 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.023 2.054 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.062 3.453 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.451 2.753 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.511 2.062 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.093 2.244 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.620 0.806 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.965 0.660 -0.833 1.00 0.00 H new ATOM 979 N ILE A 67 -7.448 2.496 0.347 1.00 0.00 N ATOM 980 CA ILE A 67 -7.340 3.385 1.497 1.00 0.00 C ATOM 981 C ILE A 67 -8.700 3.607 2.149 1.00 0.00 C ATOM 982 O ILE A 67 -9.592 4.240 1.584 1.00 0.00 O ATOM 983 CB ILE A 67 -6.745 4.749 1.100 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.326 4.572 0.557 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.747 5.695 2.292 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.785 5.804 -0.135 1.00 0.00 C ATOM 0 H ILE A 67 -7.280 2.947 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.673 2.900 2.209 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.363 5.184 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.662 4.306 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.316 3.737 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.324 6.655 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.770 5.841 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.149 5.268 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.775 5.606 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.427 6.059 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.763 6.636 0.569 1.00 0.00 H new ATOM 998 N PRO A 68 -8.865 3.076 3.370 1.00 0.00 N ATOM 999 CA PRO A 68 -10.113 3.205 4.128 1.00 0.00 C ATOM 1000 C PRO A 68 -10.354 4.632 4.609 1.00 0.00 C ATOM 1001 O PRO A 68 -9.483 5.497 4.524 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.903 2.267 5.319 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.425 2.193 5.487 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.845 2.309 4.105 1.00 0.00 C ATOM 0 HA PRO A 68 -10.985 2.958 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.385 2.654 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.329 1.282 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.065 2.996 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.132 1.253 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.884 2.824 4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.678 1.330 3.656 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.565 4.885 5.127 1.00 0.00 N ATOM 1013 CA PRO A 69 -11.949 6.207 5.633 1.00 0.00 C ATOM 1014 C PRO A 69 -11.214 6.571 6.919 1.00 0.00 C ATOM 1015 O PRO A 69 -10.996 7.746 7.208 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.450 6.064 5.896 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.656 4.607 6.130 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.653 3.902 5.259 1.00 0.00 C ATOM 0 HA PRO A 69 -11.700 7.001 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.758 6.651 6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.036 6.415 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.506 4.355 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.673 4.310 5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.305 2.976 5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.077 3.639 4.290 1.00 0.00 H new ATOM 1026 N ASN A 70 -10.836 5.554 7.686 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.125 5.768 8.942 1.00 0.00 C ATOM 1028 C ASN A 70 -8.926 4.832 9.054 1.00 0.00 C ATOM 1029 O ASN A 70 -9.080 3.612 9.109 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.068 5.552 10.128 1.00 0.00 C ATOM 1031 CG ASN A 70 -10.375 5.756 11.462 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -9.217 5.377 11.636 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -11.083 6.358 12.410 1.00 0.00 N ATOM 0 H ASN A 70 -11.010 4.574 7.461 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.763 6.796 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.910 6.240 10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.477 4.543 10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.670 6.523 13.328 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.040 6.655 12.221 1.00 0.00 H new ATOM 1040 N MET A 71 -7.731 5.412 9.090 1.00 0.00 N ATOM 1041 CA MET A 71 -6.504 4.630 9.198 1.00 0.00 C ATOM 1042 C MET A 71 -5.511 5.304 10.139 1.00 0.00 C ATOM 1043 O MET A 71 -5.204 6.489 10.011 1.00 0.00 O ATOM 1044 CB MET A 71 -5.871 4.443 7.818 1.00 0.00 C ATOM 1045 CG MET A 71 -4.514 3.759 7.860 1.00 0.00 C ATOM 1046 SD MET A 71 -3.447 4.247 6.491 1.00 0.00 S ATOM 1047 CE MET A 71 -2.382 5.438 7.300 1.00 0.00 C ATOM 0 H MET A 71 -7.586 6.421 9.046 1.00 0.00 H new ATOM 0 HA MET A 71 -6.760 3.653 9.608 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.545 3.856 7.194 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.763 5.417 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.021 3.997 8.802 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.655 2.678 7.838 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.748 5.922 6.558 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.992 6.189 7.802 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.757 4.928 8.034 1.00 0.00 H new ATOM 1057 N PRO A 72 -4.996 4.533 11.108 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.030 5.035 12.090 1.00 0.00 C ATOM 1059 C PRO A 72 -2.670 5.328 11.466 1.00 0.00 C ATOM 1060 O PRO A 72 -2.238 4.639 10.542 1.00 0.00 O ATOM 1061 CB PRO A 72 -3.920 3.888 13.097 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.291 2.669 12.326 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.318 3.112 11.320 1.00 0.00 C ATOM 0 HA PRO A 72 -4.350 5.979 12.532 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.910 3.810 13.499 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.589 4.039 13.944 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.420 2.240 11.831 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.695 1.899 12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.246 2.541 10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.332 2.982 11.697 1.00 0.00 H new ATOM 1071 N CYS A 73 -1.999 6.355 11.977 1.00 0.00 N ATOM 1072 CA CYS A 73 -0.687 6.740 11.470 1.00 0.00 C ATOM 1073 C CYS A 73 0.325 6.848 12.606 1.00 0.00 C ATOM 1074 O CYS A 73 0.115 7.581 13.572 1.00 0.00 O ATOM 1075 CB CYS A 73 -0.777 8.071 10.722 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.441 9.430 11.713 1.00 0.00 S ATOM 0 H CYS A 73 -2.342 6.936 12.742 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.350 5.966 10.780 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.217 8.345 10.368 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.404 7.938 9.840 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.038 9.307 12.943 1.00 0.00 H new ATOM 1082 N THR A 74 1.425 6.110 12.484 1.00 0.00 N ATOM 1083 CA THR A 74 2.468 6.120 13.501 1.00 0.00 C ATOM 1084 C THR A 74 3.843 6.331 12.876 1.00 0.00 C ATOM 1085 O THR A 74 4.364 5.452 12.190 1.00 0.00 O ATOM 1086 CB THR A 74 2.479 4.808 14.308 1.00 0.00 C ATOM 1087 OG1 THR A 74 2.095 3.713 13.468 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.535 4.896 15.498 1.00 0.00 C ATOM 0 H THR A 74 1.616 5.498 11.690 1.00 0.00 H new ATOM 0 HA THR A 74 2.246 6.949 14.173 1.00 0.00 H new ATOM 0 HB THR A 74 3.491 4.644 14.679 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.346 3.908 12.541 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.560 3.958 16.052 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.847 5.712 16.150 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.521 5.082 15.145 1.00 0.00 H new ATOM 1096 N ARG A 75 4.425 7.501 13.119 1.00 0.00 N ATOM 1097 CA ARG A 75 5.739 7.827 12.579 1.00 0.00 C ATOM 1098 C ARG A 75 6.844 7.386 13.535 1.00 0.00 C ATOM 1099 O ARG A 75 6.919 7.852 14.673 1.00 0.00 O ATOM 1100 CB ARG A 75 5.848 9.330 12.316 1.00 0.00 C ATOM 1101 CG ARG A 75 5.368 9.742 10.934 1.00 0.00 C ATOM 1102 CD ARG A 75 6.436 9.499 9.879 1.00 0.00 C ATOM 1103 NE ARG A 75 7.377 10.612 9.787 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.521 10.665 10.460 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.863 9.673 11.271 1.00 0.00 N ATOM 1106 NH2 ARG A 75 9.325 11.711 10.324 1.00 0.00 N ATOM 0 H ARG A 75 4.007 8.239 13.686 1.00 0.00 H new ATOM 0 HA ARG A 75 5.860 7.291 11.638 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.267 9.865 13.068 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.887 9.637 12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.468 9.183 10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.096 10.797 10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.979 8.584 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.960 9.345 8.910 1.00 0.00 H new ATOM 0 HE ARG A 75 7.143 11.391 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.247 8.867 11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.742 9.716 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.065 12.476 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.203 11.750 10.842 1.00 0.00 H new ATOM 1120 N THR A 76 7.700 6.483 13.066 1.00 0.00 N ATOM 1121 CA THR A 76 8.800 5.978 13.879 1.00 0.00 C ATOM 1122 C THR A 76 10.146 6.273 13.227 1.00 0.00 C ATOM 1123 O THR A 76 10.224 6.521 12.025 1.00 0.00 O ATOM 1124 CB THR A 76 8.676 4.460 14.110 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.700 4.016 15.007 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.783 3.702 12.795 1.00 0.00 C ATOM 0 H THR A 76 7.653 6.086 12.127 1.00 0.00 H new ATOM 0 HA THR A 76 8.745 6.490 14.840 1.00 0.00 H new ATOM 0 HB THR A 76 7.698 4.260 14.548 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.613 3.050 15.150 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.693 2.632 12.983 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.985 4.021 12.125 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.749 3.909 12.333 1.00 0.00 H new ATOM 1134 N GLY A 77 11.206 6.245 14.030 1.00 0.00 N ATOM 1135 CA GLY A 77 12.535 6.511 13.513 1.00 0.00 C ATOM 1136 C GLY A 77 12.644 7.879 12.869 1.00 0.00 C ATOM 1137 O GLY A 77 11.945 8.815 13.260 1.00 0.00 O ATOM 0 H GLY A 77 11.167 6.043 15.029 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.259 6.436 14.325 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.796 5.747 12.781 1.00 0.00 H new ATOM 1141 N LYS A 78 13.523 7.998 11.881 1.00 0.00 N ATOM 1142 CA LYS A 78 13.723 9.262 11.181 1.00 0.00 C ATOM 1143 C LYS A 78 12.935 9.291 9.875 1.00 0.00 C ATOM 1144 O LYS A 78 12.137 10.198 9.642 1.00 0.00 O ATOM 1145 CB LYS A 78 15.210 9.482 10.896 1.00 0.00 C ATOM 1146 CG LYS A 78 15.517 10.831 10.270 1.00 0.00 C ATOM 1147 CD LYS A 78 16.976 11.214 10.456 1.00 0.00 C ATOM 1148 CE LYS A 78 17.353 12.407 9.591 1.00 0.00 C ATOM 1149 NZ LYS A 78 16.965 13.697 10.226 1.00 0.00 N ATOM 0 H LYS A 78 14.110 7.234 11.546 1.00 0.00 H new ATOM 0 HA LYS A 78 13.360 10.065 11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.768 9.388 11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.564 8.694 10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.281 10.802 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.880 11.594 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.161 11.450 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.611 10.365 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.428 12.400 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.866 12.320 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.239 14.486 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.936 13.715 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.449 13.793 11.142 1.00 0.00 H new ATOM 1163 N ASN A 79 13.163 8.292 9.029 1.00 0.00 N ATOM 1164 CA ASN A 79 12.473 8.204 7.747 1.00 0.00 C ATOM 1165 C ASN A 79 11.598 6.956 7.685 1.00 0.00 C ATOM 1166 O ASN A 79 11.194 6.522 6.608 1.00 0.00 O ATOM 1167 CB ASN A 79 13.485 8.188 6.600 1.00 0.00 C ATOM 1168 CG ASN A 79 14.431 7.005 6.680 1.00 0.00 C ATOM 1169 OD1 ASN A 79 15.454 7.059 7.362 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.093 5.928 5.980 1.00 0.00 N ATOM 0 H ASN A 79 13.820 7.532 9.208 1.00 0.00 H new ATOM 0 HA ASN A 79 11.833 9.080 7.646 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.952 8.160 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.062 9.113 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.691 5.102 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.235 5.927 5.428 1.00 0.00 H new ATOM 1177 N ASN A 80 11.309 6.384 8.850 1.00 0.00 N ATOM 1178 CA ASN A 80 10.482 5.186 8.929 1.00 0.00 C ATOM 1179 C ASN A 80 9.028 5.547 9.220 1.00 0.00 C ATOM 1180 O ASN A 80 8.743 6.348 10.110 1.00 0.00 O ATOM 1181 CB ASN A 80 11.012 4.245 10.012 1.00 0.00 C ATOM 1182 CG ASN A 80 12.498 3.977 9.868 1.00 0.00 C ATOM 1183 OD1 ASN A 80 13.017 3.874 8.756 1.00 0.00 O ATOM 1184 ND2 ASN A 80 13.190 3.862 10.996 1.00 0.00 N ATOM 0 H ASN A 80 11.636 6.731 9.752 1.00 0.00 H new ATOM 0 HA ASN A 80 10.526 4.680 7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.817 4.678 10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.469 3.301 9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.193 3.681 10.963 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.718 3.955 11.896 1.00 0.00 H new ATOM 1191 N VAL A 81 8.113 4.949 8.464 1.00 0.00 N ATOM 1192 CA VAL A 81 6.688 5.206 8.642 1.00 0.00 C ATOM 1193 C VAL A 81 5.924 3.911 8.895 1.00 0.00 C ATOM 1194 O VAL A 81 5.977 2.979 8.091 1.00 0.00 O ATOM 1195 CB VAL A 81 6.088 5.912 7.412 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.593 6.126 7.597 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.797 7.234 7.158 1.00 0.00 C ATOM 0 H VAL A 81 8.332 4.284 7.723 1.00 0.00 H new ATOM 0 HA VAL A 81 6.589 5.858 9.510 1.00 0.00 H new ATOM 0 HB VAL A 81 6.235 5.274 6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.186 6.626 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.101 5.162 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.420 6.743 8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.360 7.719 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.683 7.881 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.856 7.050 6.979 1.00 0.00 H new ATOM 1207 N LEU A 82 5.213 3.859 10.016 1.00 0.00 N ATOM 1208 CA LEU A 82 4.436 2.678 10.375 1.00 0.00 C ATOM 1209 C LEU A 82 2.945 2.922 10.164 1.00 0.00 C ATOM 1210 O LEU A 82 2.423 3.980 10.516 1.00 0.00 O ATOM 1211 CB LEU A 82 4.700 2.294 11.832 1.00 0.00 C ATOM 1212 CG LEU A 82 4.701 0.797 12.142 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.162 0.547 13.569 1.00 0.00 C ATOM 1214 CD2 LEU A 82 3.319 0.203 11.914 1.00 0.00 C ATOM 0 H LEU A 82 5.159 4.621 10.692 1.00 0.00 H new ATOM 0 HA LEU A 82 4.746 1.858 9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.665 2.706 12.126 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.945 2.773 12.456 1.00 0.00 H new ATOM 0 HG LEU A 82 5.401 0.307 11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.156 -0.524 13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.172 0.935 13.698 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.489 1.051 14.262 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.339 -0.863 12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.598 0.698 12.565 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.028 0.348 10.874 1.00 0.00 H new ATOM 1226 N ILE A 83 2.266 1.936 9.588 1.00 0.00 N ATOM 1227 CA ILE A 83 0.835 2.043 9.333 1.00 0.00 C ATOM 1228 C ILE A 83 0.126 0.722 9.613 1.00 0.00 C ATOM 1229 O ILE A 83 0.764 -0.325 9.726 1.00 0.00 O ATOM 1230 CB ILE A 83 0.552 2.466 7.880 1.00 0.00 C ATOM 1231 CG1 ILE A 83 1.166 1.460 6.904 1.00 0.00 C ATOM 1232 CG2 ILE A 83 1.094 3.863 7.620 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.663 1.610 5.485 1.00 0.00 C ATOM 0 H ILE A 83 2.683 1.055 9.289 1.00 0.00 H new ATOM 0 HA ILE A 83 0.451 2.809 10.007 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.527 2.482 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.250 1.575 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.950 0.450 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.886 4.148 6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.614 4.571 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.171 3.873 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.141 0.865 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.417 1.466 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.903 2.608 5.118 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.197 0.778 9.723 1.00 0.00 N ATOM 1246 CA VAL A 84 -1.994 -0.415 9.987 1.00 0.00 C ATOM 1247 C VAL A 84 -3.139 -0.542 8.989 1.00 0.00 C ATOM 1248 O VAL A 84 -3.997 0.337 8.897 1.00 0.00 O ATOM 1249 CB VAL A 84 -2.570 -0.400 11.415 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.139 -1.764 11.776 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -1.505 0.024 12.415 1.00 0.00 C ATOM 0 H VAL A 84 -1.740 1.637 9.633 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.328 -1.271 9.882 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.381 0.327 11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.541 -1.734 12.789 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.934 -2.023 11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.350 -2.514 11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.930 0.029 13.419 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.671 -0.677 12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.150 1.024 12.166 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.147 -1.642 8.244 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.188 -1.886 7.252 1.00 0.00 C ATOM 1263 C CYS A 85 -4.341 -3.378 6.979 1.00 0.00 C ATOM 1264 O CYS A 85 -3.425 -4.162 7.227 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.865 -1.147 5.952 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.426 -1.798 5.072 1.00 0.00 S ATOM 0 H CYS A 85 -2.445 -2.379 8.308 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.131 -1.511 7.651 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.733 -1.195 5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.694 -0.094 6.178 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.234 -1.110 3.986 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.506 -3.765 6.468 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.779 -5.164 6.162 1.00 0.00 C ATOM 1274 C VAL A 86 -5.153 -5.568 4.832 1.00 0.00 C ATOM 1275 O VAL A 86 -5.573 -5.130 3.761 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.293 -5.442 6.109 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.557 -6.910 5.814 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.957 -5.023 7.412 1.00 0.00 C ATOM 0 H VAL A 86 -6.275 -3.129 6.257 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.336 -5.755 6.964 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.725 -4.851 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.632 -7.087 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.116 -7.173 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.113 -7.524 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.026 -5.226 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.523 -5.585 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.798 -3.957 7.575 1.00 0.00 H new ATOM 1288 N PRO A 87 -4.123 -6.425 4.899 1.00 0.00 N ATOM 1289 CA PRO A 87 -3.417 -6.909 3.709 1.00 0.00 C ATOM 1290 C PRO A 87 -4.274 -7.851 2.869 1.00 0.00 C ATOM 1291 O PRO A 87 -4.993 -8.693 3.404 1.00 0.00 O ATOM 1292 CB PRO A 87 -2.214 -7.656 4.290 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.647 -8.071 5.653 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.570 -6.989 6.142 1.00 0.00 C ATOM 0 HA PRO A 87 -3.147 -6.095 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.951 -8.519 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.333 -7.015 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.156 -9.034 5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.790 -8.183 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.354 -7.390 6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.036 -6.237 6.722 1.00 0.00 H new ATOM 1302 N ASN A 88 -4.190 -7.702 1.551 1.00 0.00 N ATOM 1303 CA ASN A 88 -4.959 -8.540 0.637 1.00 0.00 C ATOM 1304 C ASN A 88 -4.057 -9.145 -0.434 1.00 0.00 C ATOM 1305 O ASN A 88 -3.506 -8.445 -1.285 1.00 0.00 O ATOM 1306 CB ASN A 88 -6.074 -7.724 -0.020 1.00 0.00 C ATOM 1307 CG ASN A 88 -7.363 -7.760 0.778 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -7.690 -8.767 1.406 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -8.104 -6.658 0.755 1.00 0.00 N ATOM 0 H ASN A 88 -3.598 -7.010 1.092 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.404 -9.351 1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.747 -6.690 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.260 -8.109 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.983 -6.624 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.794 -5.846 0.221 1.00 0.00 H new ATOM 1316 N PRO A 89 -3.902 -10.477 -0.394 1.00 0.00 N ATOM 1317 CA PRO A 89 -4.552 -11.319 0.614 1.00 0.00 C ATOM 1318 C PRO A 89 -3.968 -11.111 2.007 1.00 0.00 C ATOM 1319 O PRO A 89 -2.947 -10.448 2.186 1.00 0.00 O ATOM 1320 CB PRO A 89 -4.270 -12.741 0.123 1.00 0.00 C ATOM 1321 CG PRO A 89 -3.027 -12.622 -0.689 1.00 0.00 C ATOM 1322 CD PRO A 89 -3.079 -11.262 -1.329 1.00 0.00 C ATOM 0 HA PRO A 89 -5.613 -11.090 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.133 -13.428 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.097 -13.125 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.141 -12.725 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.977 -13.407 -1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.083 -10.834 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.526 -11.302 -2.322 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.630 -11.690 3.020 1.00 0.00 N ATOM 1331 CA PRO A 90 -4.194 -11.583 4.415 1.00 0.00 C ATOM 1332 C PRO A 90 -2.909 -12.359 4.682 1.00 0.00 C ATOM 1333 O PRO A 90 -2.836 -13.563 4.432 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.359 -12.193 5.199 1.00 0.00 C ATOM 1335 CG PRO A 90 -6.018 -13.121 4.238 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.855 -12.496 2.880 1.00 0.00 C ATOM 0 HA PRO A 90 -3.968 -10.554 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.006 -12.724 6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.050 -11.424 5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.557 -14.108 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.072 -13.253 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.753 -13.251 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.714 -11.879 2.616 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.898 -11.663 5.191 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.616 -12.288 5.493 1.00 0.00 C ATOM 1346 C ILE A 91 -0.768 -13.366 6.561 1.00 0.00 C ATOM 1347 O ILE A 91 -0.124 -14.413 6.497 1.00 0.00 O ATOM 1348 CB ILE A 91 0.417 -11.250 5.970 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.641 -10.188 4.892 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.728 -11.935 6.328 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.292 -8.926 5.413 1.00 0.00 C ATOM 0 H ILE A 91 -1.942 -10.666 5.403 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.261 -12.744 4.569 1.00 0.00 H new ATOM 0 HB ILE A 91 0.031 -10.758 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.264 -10.609 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.318 -9.933 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.449 -11.189 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.555 -12.657 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.121 -12.450 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.420 -8.218 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.660 -8.481 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.266 -9.168 5.839 1.00 0.00 H new ATOM 1363 N ASP A 92 -1.626 -13.103 7.541 1.00 0.00 N ATOM 1364 CA ASP A 92 -1.865 -14.052 8.622 1.00 0.00 C ATOM 1365 C ASP A 92 -3.289 -14.595 8.562 1.00 0.00 C ATOM 1366 O ASP A 92 -4.181 -13.965 7.995 1.00 0.00 O ATOM 1367 CB ASP A 92 -1.617 -13.387 9.977 1.00 0.00 C ATOM 1368 CG ASP A 92 -0.180 -13.534 10.439 1.00 0.00 C ATOM 1369 OD1 ASP A 92 0.400 -14.620 10.234 1.00 0.00 O ATOM 1370 OD2 ASP A 92 0.364 -12.562 11.005 1.00 0.00 O ATOM 0 H ASP A 92 -2.167 -12.241 7.609 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.172 -14.884 8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.868 -12.328 9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.282 -13.826 10.721 1.00 0.00 H new ATOM 1375 N GLU A 93 -3.494 -15.770 9.150 1.00 0.00 N ATOM 1376 CA GLU A 93 -4.810 -16.399 9.161 1.00 0.00 C ATOM 1377 C GLU A 93 -5.519 -16.154 10.490 1.00 0.00 C ATOM 1378 O GLU A 93 -6.734 -15.959 10.533 1.00 0.00 O ATOM 1379 CB GLU A 93 -4.684 -17.902 8.907 1.00 0.00 C ATOM 1380 CG GLU A 93 -5.960 -18.677 9.189 1.00 0.00 C ATOM 1381 CD GLU A 93 -5.749 -20.178 9.164 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -4.885 -20.669 9.921 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -6.448 -20.862 8.387 1.00 0.00 O ATOM 0 H GLU A 93 -2.766 -16.305 9.624 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.404 -15.952 8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.393 -18.063 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.882 -18.301 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.350 -18.385 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.715 -18.408 8.450 1.00 0.00 H new ATOM 1390 N LYS A 94 -4.751 -16.167 11.575 1.00 0.00 N ATOM 1391 CA LYS A 94 -5.302 -15.946 12.906 1.00 0.00 C ATOM 1392 C LYS A 94 -5.864 -14.534 13.035 1.00 0.00 C ATOM 1393 O LYS A 94 -6.973 -14.340 13.532 1.00 0.00 O ATOM 1394 CB LYS A 94 -4.228 -16.179 13.971 1.00 0.00 C ATOM 1395 CG LYS A 94 -4.072 -17.636 14.370 1.00 0.00 C ATOM 1396 CD LYS A 94 -3.088 -18.360 13.467 1.00 0.00 C ATOM 1397 CE LYS A 94 -3.085 -19.857 13.732 1.00 0.00 C ATOM 1398 NZ LYS A 94 -4.281 -20.526 13.149 1.00 0.00 N ATOM 0 H LYS A 94 -3.744 -16.329 11.558 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.115 -16.656 13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.273 -15.809 13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.473 -15.593 14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.731 -17.696 15.403 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.041 -18.132 14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.346 -18.175 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.086 -17.960 13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.181 -20.298 13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.057 -20.035 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.216 -21.552 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.141 -20.159 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.322 -20.335 12.128 1.00 0.00 H new ATOM 1412 N ASN A 95 -5.091 -13.551 12.584 1.00 0.00 N ATOM 1413 CA ASN A 95 -5.512 -12.157 12.649 1.00 0.00 C ATOM 1414 C ASN A 95 -6.004 -11.673 11.288 1.00 0.00 C ATOM 1415 O ASN A 95 -6.093 -10.471 11.040 1.00 0.00 O ATOM 1416 CB ASN A 95 -4.358 -11.275 13.129 1.00 0.00 C ATOM 1417 CG ASN A 95 -3.050 -11.607 12.437 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -2.690 -10.988 11.436 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -2.332 -12.589 12.970 1.00 0.00 N ATOM 0 H ASN A 95 -4.170 -13.695 12.170 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.335 -12.086 13.360 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.605 -10.229 12.950 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.237 -11.394 14.206 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.443 -12.857 12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.670 -13.075 13.801 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.322 -12.619 10.410 1.00 0.00 N ATOM 1427 CA ALA A 96 -6.807 -12.290 9.075 1.00 0.00 C ATOM 1428 C ALA A 96 -7.856 -11.184 9.129 1.00 0.00 C ATOM 1429 O ALA A 96 -7.659 -10.099 8.579 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.378 -13.528 8.401 1.00 0.00 C ATOM 0 H ALA A 96 -6.252 -13.619 10.599 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.963 -11.927 8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.736 -13.267 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.602 -14.289 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.206 -13.916 8.994 1.00 0.00 H new ATOM 1436 N THR A 97 -8.972 -11.464 9.795 1.00 0.00 N ATOM 1437 CA THR A 97 -10.052 -10.494 9.919 1.00 0.00 C ATOM 1438 C THR A 97 -9.514 -9.116 10.285 1.00 0.00 C ATOM 1439 O THR A 97 -9.902 -8.110 9.692 1.00 0.00 O ATOM 1440 CB THR A 97 -11.080 -10.931 10.980 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.573 -12.240 10.676 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.240 -9.949 11.045 1.00 0.00 C ATOM 0 H THR A 97 -9.151 -12.356 10.257 1.00 0.00 H new ATOM 0 HA THR A 97 -10.544 -10.442 8.948 1.00 0.00 H new ATOM 0 HB THR A 97 -10.583 -10.948 11.950 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.224 -12.510 11.356 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.953 -10.278 11.801 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.865 -8.960 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.734 -9.905 10.075 1.00 0.00 H new ATOM 1450 N MET A 98 -8.618 -9.077 11.266 1.00 0.00 N ATOM 1451 CA MET A 98 -8.026 -7.821 11.710 1.00 0.00 C ATOM 1452 C MET A 98 -6.923 -7.373 10.755 1.00 0.00 C ATOM 1453 O MET A 98 -6.402 -8.155 9.960 1.00 0.00 O ATOM 1454 CB MET A 98 -7.462 -7.970 13.124 1.00 0.00 C ATOM 1455 CG MET A 98 -8.450 -7.591 14.215 1.00 0.00 C ATOM 1456 SD MET A 98 -7.642 -6.942 15.691 1.00 0.00 S ATOM 1457 CE MET A 98 -8.676 -5.524 16.047 1.00 0.00 C ATOM 0 H MET A 98 -8.286 -9.901 11.768 1.00 0.00 H new ATOM 0 HA MET A 98 -8.808 -7.062 11.717 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.146 -9.003 13.274 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.572 -7.348 13.219 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.144 -6.845 13.828 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.041 -8.466 14.484 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.303 -5.016 16.936 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.655 -4.837 15.201 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.700 -5.855 16.221 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.559 -6.084 10.834 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.515 -5.503 9.984 1.00 0.00 C ATOM 1469 C PRO A 99 -4.125 -6.019 10.339 1.00 0.00 C ATOM 1470 O PRO A 99 -3.956 -6.761 11.307 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.618 -4.003 10.271 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.210 -3.918 11.635 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.138 -5.095 11.758 1.00 0.00 C ATOM 0 HA PRO A 99 -5.654 -5.761 8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.639 -3.525 10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.246 -3.501 9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.434 -3.951 12.400 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -6.749 -2.980 11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.174 -5.473 12.780 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.158 -4.833 11.478 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.132 -5.622 9.550 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.755 -6.043 9.782 1.00 0.00 C ATOM 1483 C VAL A 100 -0.836 -4.841 9.965 1.00 0.00 C ATOM 1484 O VAL A 100 -1.067 -3.776 9.392 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.229 -6.907 8.621 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -0.692 -6.027 7.502 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.158 -7.868 9.114 1.00 0.00 C ATOM 0 H VAL A 100 -3.255 -5.009 8.744 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.756 -6.638 10.695 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.057 -7.495 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.325 -6.655 6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.490 -5.383 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.123 -5.412 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.202 -8.470 8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.672 -7.302 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.579 -8.521 9.878 1.00 0.00 H new ATOM 1497 N THR A 101 0.209 -5.018 10.767 1.00 0.00 N ATOM 1498 CA THR A 101 1.164 -3.948 11.026 1.00 0.00 C ATOM 1499 C THR A 101 2.246 -3.905 9.954 1.00 0.00 C ATOM 1500 O THR A 101 3.098 -4.790 9.883 1.00 0.00 O ATOM 1501 CB THR A 101 1.830 -4.112 12.406 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.833 -4.332 13.409 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.650 -2.880 12.760 1.00 0.00 C ATOM 0 H THR A 101 0.416 -5.893 11.249 1.00 0.00 H new ATOM 0 HA THR A 101 0.604 -3.013 11.010 1.00 0.00 H new ATOM 0 HB THR A 101 2.497 -4.973 12.363 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.265 -4.437 14.282 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.111 -3.018 13.738 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.427 -2.733 12.010 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.000 -2.005 12.786 1.00 0.00 H new ATOM 1511 N MET A 102 2.207 -2.870 9.121 1.00 0.00 N ATOM 1512 CA MET A 102 3.186 -2.711 8.053 1.00 0.00 C ATOM 1513 C MET A 102 4.051 -1.477 8.287 1.00 0.00 C ATOM 1514 O MET A 102 3.642 -0.541 8.975 1.00 0.00 O ATOM 1515 CB MET A 102 2.483 -2.606 6.698 1.00 0.00 C ATOM 1516 CG MET A 102 1.774 -3.884 6.280 1.00 0.00 C ATOM 1517 SD MET A 102 1.410 -3.931 4.515 1.00 0.00 S ATOM 1518 CE MET A 102 2.397 -5.335 4.002 1.00 0.00 C ATOM 0 H MET A 102 1.508 -2.129 9.165 1.00 0.00 H new ATOM 0 HA MET A 102 3.831 -3.590 8.052 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.757 -1.794 6.737 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.217 -2.342 5.937 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.394 -4.741 6.542 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.845 -3.979 6.841 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.047 -5.691 3.033 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.442 -5.035 3.922 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.304 -6.134 4.738 1.00 0.00 H new ATOM 1528 N LEU A 103 5.249 -1.482 7.712 1.00 0.00 N ATOM 1529 CA LEU A 103 6.172 -0.362 7.859 1.00 0.00 C ATOM 1530 C LEU A 103 6.932 -0.109 6.560 1.00 0.00 C ATOM 1531 O LEU A 103 7.501 -1.029 5.973 1.00 0.00 O ATOM 1532 CB LEU A 103 7.159 -0.634 8.995 1.00 0.00 C ATOM 1533 CG LEU A 103 7.917 0.580 9.532 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.254 0.392 11.003 1.00 0.00 C ATOM 1535 CD2 LEU A 103 9.181 0.822 8.720 1.00 0.00 C ATOM 0 H LEU A 103 5.604 -2.249 7.140 1.00 0.00 H new ATOM 0 HA LEU A 103 5.589 0.528 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.614 -1.091 9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.887 -1.368 8.649 1.00 0.00 H new ATOM 0 HG LEU A 103 7.275 1.456 9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.793 1.266 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.334 0.269 11.574 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.877 -0.495 11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.708 1.690 9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.827 -0.054 8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.915 1.003 7.679 1.00 0.00 H new ATOM 1547 N ILE A 104 6.938 1.145 6.119 1.00 0.00 N ATOM 1548 CA ILE A 104 7.630 1.519 4.893 1.00 0.00 C ATOM 1549 C ILE A 104 8.975 2.170 5.197 1.00 0.00 C ATOM 1550 O ILE A 104 9.086 2.994 6.105 1.00 0.00 O ATOM 1551 CB ILE A 104 6.785 2.486 4.042 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.444 1.844 3.682 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.542 2.883 2.783 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.351 2.849 3.396 1.00 0.00 C ATOM 0 H ILE A 104 6.471 1.918 6.593 1.00 0.00 H new ATOM 0 HA ILE A 104 7.793 0.600 4.330 1.00 0.00 H new ATOM 0 HB ILE A 104 6.591 3.386 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.578 1.207 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.128 1.199 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.932 3.566 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.475 3.375 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.762 1.992 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.429 2.323 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.189 3.471 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.646 3.479 2.557 1.00 0.00 H new ATOM 1566 N ARG A 105 9.994 1.796 4.431 1.00 0.00 N ATOM 1567 CA ARG A 105 11.332 2.344 4.618 1.00 0.00 C ATOM 1568 C ARG A 105 11.797 3.083 3.367 1.00 0.00 C ATOM 1569 O ARG A 105 11.889 2.500 2.287 1.00 0.00 O ATOM 1570 CB ARG A 105 12.321 1.228 4.961 1.00 0.00 C ATOM 1571 CG ARG A 105 13.773 1.678 4.956 1.00 0.00 C ATOM 1572 CD ARG A 105 14.201 2.190 6.323 1.00 0.00 C ATOM 1573 NE ARG A 105 15.445 2.953 6.255 1.00 0.00 N ATOM 1574 CZ ARG A 105 16.342 2.983 7.234 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.136 2.296 8.349 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.450 3.702 7.098 1.00 0.00 N ATOM 0 H ARG A 105 9.919 1.116 3.675 1.00 0.00 H new ATOM 0 HA ARG A 105 11.294 3.053 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.077 0.828 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.199 0.414 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.412 0.846 4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.909 2.464 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.413 2.818 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.329 1.347 7.002 1.00 0.00 H new ATOM 0 HE ARG A 105 15.635 3.492 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.286 1.742 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.827 2.321 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.612 4.232 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.139 3.725 7.850 1.00 0.00 H new ATOM 1590 N VAL A 106 12.089 4.371 3.520 1.00 0.00 N ATOM 1591 CA VAL A 106 12.545 5.190 2.403 1.00 0.00 C ATOM 1592 C VAL A 106 14.018 5.554 2.554 1.00 0.00 C ATOM 1593 O VAL A 106 14.643 5.252 3.571 1.00 0.00 O ATOM 1594 CB VAL A 106 11.718 6.484 2.282 1.00 0.00 C ATOM 1595 CG1 VAL A 106 10.268 6.163 1.953 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.814 7.300 3.563 1.00 0.00 C ATOM 0 H VAL A 106 12.018 4.870 4.407 1.00 0.00 H new ATOM 0 HA VAL A 106 12.411 4.596 1.499 1.00 0.00 H new ATOM 0 HB VAL A 106 12.127 7.080 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.700 7.090 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.220 5.624 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.843 5.545 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.224 8.211 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.432 6.713 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.855 7.562 3.750 1.00 0.00 H new ATOM 1606 N LYS A 107 14.568 6.204 1.534 1.00 0.00 N ATOM 1607 CA LYS A 107 15.968 6.612 1.551 1.00 0.00 C ATOM 1608 C LYS A 107 16.144 7.920 2.315 1.00 0.00 C ATOM 1609 O LYS A 107 16.947 8.006 3.244 1.00 0.00 O ATOM 1610 CB LYS A 107 16.493 6.767 0.122 1.00 0.00 C ATOM 1611 CG LYS A 107 17.989 6.539 -0.004 1.00 0.00 C ATOM 1612 CD LYS A 107 18.582 7.349 -1.144 1.00 0.00 C ATOM 1613 CE LYS A 107 20.103 7.347 -1.097 1.00 0.00 C ATOM 1614 NZ LYS A 107 20.698 7.856 -2.364 1.00 0.00 N ATOM 0 H LYS A 107 14.065 6.460 0.684 1.00 0.00 H new ATOM 0 HA LYS A 107 16.541 5.836 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.971 6.063 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 107 16.255 7.768 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.479 6.811 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.184 5.479 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 107 18.246 6.939 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.217 8.375 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.441 7.963 -0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 107 20.459 6.334 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.735 7.839 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.396 7.253 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.379 8.832 -2.530 1.00 0.00 H new ATOM 1628 N THR A 108 15.387 8.939 1.917 1.00 0.00 N ATOM 1629 CA THR A 108 15.460 10.243 2.563 1.00 0.00 C ATOM 1630 C THR A 108 14.242 10.487 3.447 1.00 0.00 C ATOM 1631 O THR A 108 13.140 10.030 3.142 1.00 0.00 O ATOM 1632 CB THR A 108 15.564 11.378 1.527 1.00 0.00 C ATOM 1633 OG1 THR A 108 15.596 12.646 2.192 1.00 0.00 O ATOM 1634 CG2 THR A 108 14.390 11.337 0.560 1.00 0.00 C ATOM 0 H THR A 108 14.717 8.885 1.150 1.00 0.00 H new ATOM 0 HA THR A 108 16.359 10.241 3.180 1.00 0.00 H new ATOM 0 HB THR A 108 16.486 11.241 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 108 16.116 13.282 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.485 12.148 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 108 14.384 10.382 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.458 11.452 1.114 1.00 0.00 H new ATOM 1642 N SER A 109 14.448 11.210 4.543 1.00 0.00 N ATOM 1643 CA SER A 109 13.367 11.512 5.474 1.00 0.00 C ATOM 1644 C SER A 109 12.240 12.264 4.772 1.00 0.00 C ATOM 1645 O SER A 109 11.082 11.849 4.815 1.00 0.00 O ATOM 1646 CB SER A 109 13.892 12.339 6.648 1.00 0.00 C ATOM 1647 OG SER A 109 15.062 11.758 7.198 1.00 0.00 O ATOM 0 H SER A 109 15.353 11.598 4.808 1.00 0.00 H new ATOM 0 HA SER A 109 12.972 10.569 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.108 13.354 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.123 12.414 7.417 1.00 0.00 H new ATOM 0 HG SER A 109 15.850 12.106 6.732 1.00 0.00 H new ATOM 1653 N GLU A 110 12.589 13.372 4.125 1.00 0.00 N ATOM 1654 CA GLU A 110 11.607 14.182 3.414 1.00 0.00 C ATOM 1655 C GLU A 110 10.534 13.303 2.779 1.00 0.00 C ATOM 1656 O GLU A 110 9.352 13.651 2.777 1.00 0.00 O ATOM 1657 CB GLU A 110 12.293 15.027 2.339 1.00 0.00 C ATOM 1658 CG GLU A 110 12.981 14.202 1.264 1.00 0.00 C ATOM 1659 CD GLU A 110 14.148 14.932 0.627 1.00 0.00 C ATOM 1660 OE1 GLU A 110 15.064 15.348 1.367 1.00 0.00 O ATOM 1661 OE2 GLU A 110 14.145 15.086 -0.612 1.00 0.00 O ATOM 0 H GLU A 110 13.543 13.729 4.079 1.00 0.00 H new ATOM 0 HA GLU A 110 11.129 14.844 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 110 11.552 15.674 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.029 15.676 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.335 13.268 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.257 13.940 0.493 1.00 0.00 H new ATOM 1668 N ASP A 111 10.953 12.163 2.241 1.00 0.00 N ATOM 1669 CA ASP A 111 10.029 11.233 1.602 1.00 0.00 C ATOM 1670 C ASP A 111 8.931 10.807 2.571 1.00 0.00 C ATOM 1671 O ASP A 111 7.744 10.960 2.286 1.00 0.00 O ATOM 1672 CB ASP A 111 10.781 10.004 1.091 1.00 0.00 C ATOM 1673 CG ASP A 111 9.971 9.204 0.090 1.00 0.00 C ATOM 1674 OD1 ASP A 111 9.163 9.814 -0.641 1.00 0.00 O ATOM 1675 OD2 ASP A 111 10.144 7.968 0.038 1.00 0.00 O ATOM 0 H ASP A 111 11.927 11.860 2.235 1.00 0.00 H new ATOM 0 HA ASP A 111 9.565 11.742 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.716 10.320 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.043 9.366 1.935 1.00 0.00 H new ATOM 1680 N ALA A 112 9.336 10.271 3.718 1.00 0.00 N ATOM 1681 CA ALA A 112 8.387 9.824 4.730 1.00 0.00 C ATOM 1682 C ALA A 112 7.388 10.925 5.071 1.00 0.00 C ATOM 1683 O ALA A 112 6.183 10.764 4.880 1.00 0.00 O ATOM 1684 CB ALA A 112 9.124 9.371 5.981 1.00 0.00 C ATOM 0 H ALA A 112 10.315 10.136 3.969 1.00 0.00 H new ATOM 0 HA ALA A 112 7.831 8.979 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.403 9.040 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.792 8.547 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.706 10.201 6.381 1.00 0.00 H new ATOM 1690 N ASP A 113 7.897 12.042 5.577 1.00 0.00 N ATOM 1691 CA ASP A 113 7.050 13.171 5.945 1.00 0.00 C ATOM 1692 C ASP A 113 5.915 13.348 4.941 1.00 0.00 C ATOM 1693 O ASP A 113 4.740 13.308 5.305 1.00 0.00 O ATOM 1694 CB ASP A 113 7.879 14.453 6.027 1.00 0.00 C ATOM 1695 CG ASP A 113 7.127 15.587 6.697 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.515 15.346 7.758 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.150 16.714 6.159 1.00 0.00 O ATOM 0 H ASP A 113 8.893 12.191 5.742 1.00 0.00 H new ATOM 0 HA ASP A 113 6.617 12.965 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.797 14.254 6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.171 14.758 5.022 1.00 0.00 H new ATOM 1702 N GLU A 114 6.276 13.545 3.676 1.00 0.00 N ATOM 1703 CA GLU A 114 5.287 13.730 2.621 1.00 0.00 C ATOM 1704 C GLU A 114 4.371 12.514 2.513 1.00 0.00 C ATOM 1705 O GLU A 114 3.147 12.638 2.555 1.00 0.00 O ATOM 1706 CB GLU A 114 5.980 13.981 1.280 1.00 0.00 C ATOM 1707 CG GLU A 114 5.017 14.271 0.141 1.00 0.00 C ATOM 1708 CD GLU A 114 4.712 15.749 -0.003 1.00 0.00 C ATOM 1709 OE1 GLU A 114 5.641 16.566 0.163 1.00 0.00 O ATOM 1710 OE2 GLU A 114 3.543 16.089 -0.282 1.00 0.00 O ATOM 0 H GLU A 114 7.245 13.580 3.358 1.00 0.00 H new ATOM 0 HA GLU A 114 4.680 14.598 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.666 14.821 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.581 13.109 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.441 13.899 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.088 13.727 0.308 1.00 0.00 H new ATOM 1717 N LEU A 115 4.974 11.338 2.373 1.00 0.00 N ATOM 1718 CA LEU A 115 4.215 10.098 2.259 1.00 0.00 C ATOM 1719 C LEU A 115 3.123 10.028 3.322 1.00 0.00 C ATOM 1720 O LEU A 115 1.981 9.669 3.031 1.00 0.00 O ATOM 1721 CB LEU A 115 5.147 8.892 2.389 1.00 0.00 C ATOM 1722 CG LEU A 115 4.472 7.551 2.680 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.610 7.121 1.504 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.514 6.488 2.996 1.00 0.00 C ATOM 0 H LEU A 115 5.986 11.218 2.336 1.00 0.00 H new ATOM 0 HA LEU A 115 3.742 10.080 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.716 8.797 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.863 9.096 3.185 1.00 0.00 H new ATOM 0 HG LEU A 115 3.828 7.671 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.138 6.165 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.841 7.872 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.232 7.018 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.016 5.540 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.183 6.370 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.090 6.792 3.870 1.00 0.00 H new ATOM 1736 N HIS A 116 3.480 10.376 4.554 1.00 0.00 N ATOM 1737 CA HIS A 116 2.529 10.355 5.660 1.00 0.00 C ATOM 1738 C HIS A 116 1.438 11.402 5.458 1.00 0.00 C ATOM 1739 O HIS A 116 0.250 11.114 5.610 1.00 0.00 O ATOM 1740 CB HIS A 116 3.251 10.604 6.985 1.00 0.00 C ATOM 1741 CG HIS A 116 2.325 10.745 8.154 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.980 11.964 8.698 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.670 9.811 8.882 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.155 11.774 9.711 1.00 0.00 C ATOM 1745 NE2 HIS A 116 0.950 10.476 9.844 1.00 0.00 N ATOM 0 H HIS A 116 4.420 10.676 4.812 1.00 0.00 H new ATOM 0 HA HIS A 116 2.063 9.370 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.940 9.781 7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.853 11.509 6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.707 8.742 8.734 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.721 12.548 10.326 1.00 0.00 H new ATOM 0 HE2 HIS A 116 0.354 10.039 10.547 1.00 0.00 H new ATOM 1753 N LYS A 117 1.847 12.618 5.114 1.00 0.00 N ATOM 1754 CA LYS A 117 0.905 13.708 4.890 1.00 0.00 C ATOM 1755 C LYS A 117 -0.068 13.364 3.768 1.00 0.00 C ATOM 1756 O LYS A 117 -1.277 13.277 3.987 1.00 0.00 O ATOM 1757 CB LYS A 117 1.657 14.998 4.551 1.00 0.00 C ATOM 1758 CG LYS A 117 2.034 15.821 5.770 1.00 0.00 C ATOM 1759 CD LYS A 117 2.531 17.202 5.378 1.00 0.00 C ATOM 1760 CE LYS A 117 3.470 17.776 6.428 1.00 0.00 C ATOM 1761 NZ LYS A 117 4.701 16.952 6.582 1.00 0.00 N ATOM 0 H LYS A 117 2.826 12.874 4.984 1.00 0.00 H new ATOM 0 HA LYS A 117 0.336 13.857 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.563 14.746 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.039 15.606 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.169 15.917 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.808 15.302 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.047 17.146 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.681 17.871 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.746 18.793 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.951 17.836 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.775 16.619 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.654 16.134 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.535 17.527 6.348 1.00 0.00 H new ATOM 1775 N ILE A 118 0.466 13.169 2.567 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.357 12.832 1.411 1.00 0.00 C ATOM 1777 C ILE A 118 -1.477 11.871 1.795 1.00 0.00 C ATOM 1778 O ILE A 118 -2.657 12.214 1.720 1.00 0.00 O ATOM 1779 CB ILE A 118 0.485 12.199 0.287 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.562 13.177 -0.186 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.408 11.784 -0.873 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.570 12.556 -1.127 1.00 0.00 C ATOM 0 H ILE A 118 1.464 13.238 2.369 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.790 13.764 1.049 1.00 0.00 H new ATOM 0 HB ILE A 118 0.977 11.309 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.083 14.020 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.086 13.576 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.201 11.338 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.141 11.056 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -0.924 12.660 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.303 13.307 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.076 11.731 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.058 12.182 -2.013 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.099 10.666 2.209 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.072 9.654 2.607 1.00 0.00 C ATOM 1796 C LEU A 119 -3.218 10.281 3.394 1.00 0.00 C ATOM 1797 O LEU A 119 -4.384 10.165 3.013 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.394 8.570 3.447 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.633 7.496 2.669 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.264 6.697 3.602 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.602 6.577 1.941 1.00 0.00 C ATOM 0 H LEU A 119 -0.126 10.366 2.278 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.481 9.202 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.700 9.053 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.155 8.080 4.054 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.005 7.988 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.798 5.937 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.982 7.365 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.344 6.215 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.042 5.819 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.257 6.092 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.202 7.161 1.243 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.880 10.948 4.492 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.881 11.596 5.333 1.00 0.00 C ATOM 1815 C LEU A 120 -4.783 12.504 4.503 1.00 0.00 C ATOM 1816 O LEU A 120 -5.980 12.613 4.766 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.201 12.406 6.437 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.279 11.623 7.373 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.410 12.572 8.184 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -3.091 10.723 8.292 1.00 0.00 C ATOM 0 H LEU A 120 -1.920 11.054 4.821 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.496 10.819 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.621 13.203 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.974 12.884 7.038 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.626 10.995 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.761 11.997 8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.800 13.173 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.045 13.227 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.418 10.174 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.769 11.331 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.669 10.018 7.694 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.200 13.150 3.498 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.953 14.048 2.629 1.00 0.00 C ATOM 1834 C GLU A 121 -5.874 13.260 1.701 1.00 0.00 C ATOM 1835 O GLU A 121 -7.083 13.491 1.664 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.999 14.914 1.804 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.192 15.894 2.639 1.00 0.00 C ATOM 1838 CD GLU A 121 -2.445 16.906 1.791 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -1.474 16.509 1.114 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -2.832 18.093 1.805 1.00 0.00 O ATOM 0 H GLU A 121 -3.210 13.069 3.265 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.565 14.694 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.314 14.266 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.574 15.469 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.860 16.420 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.479 15.342 3.252 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.293 12.330 0.951 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.058 11.507 0.022 1.00 0.00 C ATOM 1849 C LYS A 122 -7.294 10.926 0.702 1.00 0.00 C ATOM 1850 O LYS A 122 -8.355 10.810 0.089 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.186 10.376 -0.528 1.00 0.00 C ATOM 1852 CG LYS A 122 -3.937 10.864 -1.242 1.00 0.00 C ATOM 1853 CD LYS A 122 -3.642 10.032 -2.479 1.00 0.00 C ATOM 1854 CE LYS A 122 -2.723 8.862 -2.157 1.00 0.00 C ATOM 1855 NZ LYS A 122 -3.460 7.740 -1.514 1.00 0.00 N ATOM 0 H LYS A 122 -4.294 12.127 0.968 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.382 12.141 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.893 9.722 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.778 9.775 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.064 11.909 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.087 10.820 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.576 9.658 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.180 10.661 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.250 8.508 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.924 9.198 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.115 7.610 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.477 7.958 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.304 6.866 -2.056 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.150 10.564 1.972 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.254 9.997 2.736 1.00 0.00 C ATOM 1871 C LYS A 123 -9.167 11.096 3.269 1.00 0.00 C ATOM 1872 O LYS A 123 -10.376 10.902 3.403 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.719 9.157 3.898 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.964 9.967 4.938 1.00 0.00 C ATOM 1875 CD LYS A 123 -7.025 9.311 6.307 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.962 10.343 7.423 1.00 0.00 C ATOM 1877 NZ LYS A 123 -8.302 10.923 7.717 1.00 0.00 N ATOM 0 H LYS A 123 -6.278 10.653 2.494 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.833 9.358 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.553 8.648 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -7.060 8.384 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.924 10.075 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.385 10.971 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.946 8.735 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -6.198 8.609 6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.561 9.879 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.274 11.141 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.217 11.622 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.674 11.387 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.952 10.165 8.010 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.583 12.251 3.570 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.345 13.382 4.085 1.00 0.00 C ATOM 1893 C ASP A 124 -10.529 13.699 3.177 1.00 0.00 C ATOM 1894 O ASP A 124 -11.660 13.840 3.642 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.446 14.612 4.218 1.00 0.00 C ATOM 1896 CG ASP A 124 -9.232 15.877 4.501 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -10.023 15.880 5.468 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -9.056 16.864 3.757 1.00 0.00 O ATOM 0 H ASP A 124 -7.584 12.428 3.466 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.727 13.112 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.727 14.448 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -7.874 14.741 3.299 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.262 13.809 1.880 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.305 14.108 0.907 1.00 0.00 C ATOM 1905 C ALA A 125 -12.566 13.297 1.189 1.00 0.00 C ATOM 1906 O ALA A 125 -13.601 13.502 0.553 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.805 13.836 -0.504 1.00 0.00 C ATOM 0 H ALA A 125 -9.331 13.695 1.479 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.556 15.165 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.595 14.064 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.937 14.462 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.525 12.787 -0.595 1.00 0.00 H new TER 1913 ALA A 125