USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 861 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 28 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.6!) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -125:sc= 0 (180deg=0) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -118:sc= 0.146 (180deg=0) USER MOD Set 2.2: A 90 THR OG1 : rot -91:sc= -0.712 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.736 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 63:sc= 1.03 USER MOD Single : A 17 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 22 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.96) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 120:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.303) USER MOD Single : A 44 MET CE :methyl -124:sc= -7.75! (180deg=-15.4!) USER MOD Single : A 50 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.52) USER MOD Single : A 52 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0267) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0351) USER MOD Single : A 63 SER OG : rot 55:sc= 0.535 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.543 K(o=-0.54,f=-0.0017) USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= -0.556 (180deg=-2.06!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.0139 USER MOD Single : A 80 SER OG : rot 180:sc= -0.71 USER MOD Single : A 81 TYR OH : rot 30:sc= -0.158 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 32:sc= 1.21 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= -2.79! (180deg=-3.06!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.111 K(o=0.11,f=-0.73) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 103 SER OG : rot -145:sc= 1.15 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.609 25.713 -12.158 1.00 0.00 N ATOM 2 CA GLY A 1 6.213 25.725 -11.762 1.00 0.00 C ATOM 3 C GLY A 1 6.021 26.165 -10.324 1.00 0.00 C ATOM 4 O GLY A 1 6.021 25.340 -9.411 1.00 0.00 O ATOM 0 H1 GLY A 1 7.686 25.405 -13.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.006 26.669 -12.060 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.137 25.056 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.658 26.393 -12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.793 24.728 -11.893 1.00 0.00 H new ATOM 8 N SER A 2 5.859 27.469 -10.122 1.00 0.00 N ATOM 9 CA SER A 2 5.672 28.017 -8.784 1.00 0.00 C ATOM 10 C SER A 2 4.225 27.853 -8.328 1.00 0.00 C ATOM 11 O SER A 2 3.355 28.645 -8.690 1.00 0.00 O ATOM 12 CB SER A 2 6.062 29.496 -8.757 1.00 0.00 C ATOM 13 OG SER A 2 5.299 30.243 -9.688 1.00 0.00 O ATOM 0 H SER A 2 5.854 28.165 -10.868 1.00 0.00 H new ATOM 0 HA SER A 2 6.316 27.466 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.911 29.896 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.123 29.600 -8.986 1.00 0.00 H new ATOM 0 HG SER A 2 4.353 30.000 -9.605 1.00 0.00 H new ATOM 19 N SER A 3 3.976 26.819 -7.530 1.00 0.00 N ATOM 20 CA SER A 3 2.635 26.548 -7.027 1.00 0.00 C ATOM 21 C SER A 3 2.568 26.759 -5.517 1.00 0.00 C ATOM 22 O SER A 3 3.595 26.860 -4.847 1.00 0.00 O ATOM 23 CB SER A 3 2.218 25.117 -7.372 1.00 0.00 C ATOM 24 OG SER A 3 2.877 24.179 -6.539 1.00 0.00 O ATOM 0 H SER A 3 4.685 26.156 -7.218 1.00 0.00 H new ATOM 0 HA SER A 3 1.947 27.245 -7.505 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.139 25.012 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.452 24.908 -8.416 1.00 0.00 H new ATOM 0 HG SER A 3 2.592 23.272 -6.778 1.00 0.00 H new ATOM 30 N GLY A 4 1.350 26.825 -4.988 1.00 0.00 N ATOM 31 CA GLY A 4 1.170 27.024 -3.562 1.00 0.00 C ATOM 32 C GLY A 4 0.044 26.183 -2.997 1.00 0.00 C ATOM 33 O GLY A 4 -0.931 25.890 -3.690 1.00 0.00 O ATOM 0 H GLY A 4 0.485 26.744 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.097 26.779 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.965 28.077 -3.368 1.00 0.00 H new ATOM 37 N SER A 5 0.176 25.790 -1.734 1.00 0.00 N ATOM 38 CA SER A 5 -0.836 24.972 -1.077 1.00 0.00 C ATOM 39 C SER A 5 -1.385 25.677 0.160 1.00 0.00 C ATOM 40 O SER A 5 -0.922 26.755 0.531 1.00 0.00 O ATOM 41 CB SER A 5 -0.251 23.614 -0.686 1.00 0.00 C ATOM 42 OG SER A 5 0.627 23.736 0.420 1.00 0.00 O ATOM 0 H SER A 5 0.975 26.025 -1.145 1.00 0.00 H new ATOM 0 HA SER A 5 -1.655 24.818 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.058 22.924 -0.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.285 23.187 -1.534 1.00 0.00 H new ATOM 0 HG SER A 5 0.986 22.854 0.651 1.00 0.00 H new ATOM 48 N SER A 6 -2.376 25.058 0.795 1.00 0.00 N ATOM 49 CA SER A 6 -2.992 25.627 1.988 1.00 0.00 C ATOM 50 C SER A 6 -2.014 25.623 3.159 1.00 0.00 C ATOM 51 O SER A 6 -1.864 26.623 3.860 1.00 0.00 O ATOM 52 CB SER A 6 -4.253 24.843 2.360 1.00 0.00 C ATOM 53 OG SER A 6 -5.078 25.591 3.237 1.00 0.00 O ATOM 0 H SER A 6 -2.769 24.163 0.503 1.00 0.00 H new ATOM 0 HA SER A 6 -3.265 26.659 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.809 24.593 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.974 23.902 2.833 1.00 0.00 H new ATOM 0 HG SER A 6 -5.878 25.069 3.458 1.00 0.00 H new ATOM 59 N GLY A 7 -1.350 24.490 3.363 1.00 0.00 N ATOM 60 CA GLY A 7 -0.394 24.376 4.450 1.00 0.00 C ATOM 61 C GLY A 7 0.704 23.374 4.153 1.00 0.00 C ATOM 62 O GLY A 7 1.784 23.746 3.693 1.00 0.00 O ATOM 0 H GLY A 7 -1.456 23.649 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.051 25.352 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.916 24.079 5.360 1.00 0.00 H new ATOM 66 N GLU A 8 0.430 22.101 4.418 1.00 0.00 N ATOM 67 CA GLU A 8 1.405 21.044 4.178 1.00 0.00 C ATOM 68 C GLU A 8 0.715 19.754 3.743 1.00 0.00 C ATOM 69 O GLU A 8 -0.505 19.714 3.581 1.00 0.00 O ATOM 70 CB GLU A 8 2.236 20.791 5.438 1.00 0.00 C ATOM 71 CG GLU A 8 1.411 20.335 6.630 1.00 0.00 C ATOM 72 CD GLU A 8 2.129 20.543 7.949 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.863 21.546 8.074 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.956 19.703 8.857 1.00 0.00 O ATOM 0 H GLU A 8 -0.459 21.777 4.799 1.00 0.00 H new ATOM 0 HA GLU A 8 2.065 21.370 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.991 20.036 5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.767 21.706 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.467 20.880 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.167 19.279 6.516 1.00 0.00 H new ATOM 81 N VAL A 9 1.504 18.701 3.557 1.00 0.00 N ATOM 82 CA VAL A 9 0.969 17.409 3.142 1.00 0.00 C ATOM 83 C VAL A 9 0.194 16.746 4.274 1.00 0.00 C ATOM 84 O VAL A 9 0.559 16.866 5.444 1.00 0.00 O ATOM 85 CB VAL A 9 2.091 16.461 2.677 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.115 16.262 3.784 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.510 15.128 2.231 1.00 0.00 C ATOM 0 H VAL A 9 2.516 18.717 3.687 1.00 0.00 H new ATOM 0 HA VAL A 9 0.294 17.598 2.307 1.00 0.00 H new ATOM 0 HB VAL A 9 2.597 16.915 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.900 15.590 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.553 17.224 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.627 15.830 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.316 14.470 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.978 14.666 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.819 15.291 1.404 1.00 0.00 H new ATOM 97 N ASP A 10 -0.877 16.044 3.919 1.00 0.00 N ATOM 98 CA ASP A 10 -1.704 15.359 4.906 1.00 0.00 C ATOM 99 C ASP A 10 -2.082 13.963 4.422 1.00 0.00 C ATOM 100 O ASP A 10 -2.409 13.751 3.255 1.00 0.00 O ATOM 101 CB ASP A 10 -2.967 16.171 5.196 1.00 0.00 C ATOM 102 CG ASP A 10 -3.513 15.915 6.587 1.00 0.00 C ATOM 103 OD1 ASP A 10 -2.751 16.076 7.563 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.703 15.554 6.699 1.00 0.00 O ATOM 0 H ASP A 10 -1.193 15.934 2.955 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.125 15.262 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.746 17.233 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.731 15.925 4.458 1.00 0.00 H new ATOM 109 N PRO A 11 -2.034 12.986 5.340 1.00 0.00 N ATOM 110 CA PRO A 11 -2.368 11.592 5.031 1.00 0.00 C ATOM 111 C PRO A 11 -3.856 11.399 4.759 1.00 0.00 C ATOM 112 O PRO A 11 -4.240 10.744 3.790 1.00 0.00 O ATOM 113 CB PRO A 11 -1.954 10.838 6.297 1.00 0.00 C ATOM 114 CG PRO A 11 -2.028 11.855 7.384 1.00 0.00 C ATOM 115 CD PRO A 11 -1.653 13.166 6.751 1.00 0.00 C ATOM 0 HA PRO A 11 -1.866 11.244 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.621 9.999 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.947 10.430 6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.031 11.900 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.347 11.606 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.186 14.000 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.588 13.373 6.856 1.00 0.00 H new ATOM 123 N ALA A 12 -4.690 11.974 5.619 1.00 0.00 N ATOM 124 CA ALA A 12 -6.136 11.867 5.470 1.00 0.00 C ATOM 125 C ALA A 12 -6.580 12.326 4.085 1.00 0.00 C ATOM 126 O ALA A 12 -7.617 11.896 3.580 1.00 0.00 O ATOM 127 CB ALA A 12 -6.839 12.678 6.548 1.00 0.00 C ATOM 0 H ALA A 12 -4.389 12.519 6.427 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.412 10.818 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.918 12.589 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.554 12.302 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.549 13.725 6.463 1.00 0.00 H new ATOM 133 N LYS A 13 -5.789 13.202 3.475 1.00 0.00 N ATOM 134 CA LYS A 13 -6.100 13.720 2.148 1.00 0.00 C ATOM 135 C LYS A 13 -5.512 12.823 1.063 1.00 0.00 C ATOM 136 O LYS A 13 -6.083 12.688 -0.020 1.00 0.00 O ATOM 137 CB LYS A 13 -5.561 15.144 1.995 1.00 0.00 C ATOM 138 CG LYS A 13 -6.063 16.103 3.061 1.00 0.00 C ATOM 139 CD LYS A 13 -7.495 16.535 2.791 1.00 0.00 C ATOM 140 CE LYS A 13 -8.493 15.628 3.494 1.00 0.00 C ATOM 141 NZ LYS A 13 -8.831 16.126 4.856 1.00 0.00 N ATOM 0 H LYS A 13 -4.927 13.568 3.879 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.184 13.734 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.472 15.116 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.842 15.526 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.004 15.625 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.417 16.981 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.636 17.562 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.684 16.522 1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.402 15.557 2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.080 14.622 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.514 15.481 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.967 16.170 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.248 17.076 4.785 1.00 0.00 H new ATOM 155 N CYS A 14 -4.370 12.213 1.360 1.00 0.00 N ATOM 156 CA CYS A 14 -3.706 11.328 0.410 1.00 0.00 C ATOM 157 C CYS A 14 -4.670 10.267 -0.110 1.00 0.00 C ATOM 158 O CYS A 14 -5.676 9.960 0.529 1.00 0.00 O ATOM 159 CB CYS A 14 -2.496 10.659 1.063 1.00 0.00 C ATOM 160 SG CYS A 14 -1.081 11.760 1.297 1.00 0.00 S ATOM 0 H CYS A 14 -3.885 12.315 2.251 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.367 11.930 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.795 10.258 2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.187 9.813 0.449 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.407 12.718 2.113 1.00 0.00 H new ATOM 166 N VAL A 15 -4.357 9.711 -1.276 1.00 0.00 N ATOM 167 CA VAL A 15 -5.195 8.684 -1.883 1.00 0.00 C ATOM 168 C VAL A 15 -4.354 7.523 -2.401 1.00 0.00 C ATOM 169 O VAL A 15 -3.125 7.552 -2.329 1.00 0.00 O ATOM 170 CB VAL A 15 -6.031 9.255 -3.044 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.373 9.762 -2.537 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.268 10.363 -3.755 1.00 0.00 C ATOM 0 H VAL A 15 -3.529 9.955 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.867 8.323 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.219 8.456 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.950 10.162 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.922 8.940 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.210 10.548 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.873 10.755 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.048 11.164 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.335 9.965 -4.153 1.00 0.00 H new ATOM 182 N LEU A 16 -5.024 6.501 -2.923 1.00 0.00 N ATOM 183 CA LEU A 16 -4.338 5.328 -3.454 1.00 0.00 C ATOM 184 C LEU A 16 -4.874 4.963 -4.835 1.00 0.00 C ATOM 185 O LEU A 16 -6.084 4.941 -5.055 1.00 0.00 O ATOM 186 CB LEU A 16 -4.501 4.142 -2.502 1.00 0.00 C ATOM 187 CG LEU A 16 -4.211 4.421 -1.027 1.00 0.00 C ATOM 188 CD1 LEU A 16 -5.054 3.521 -0.137 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.731 4.233 -0.730 1.00 0.00 C ATOM 0 H LEU A 16 -6.041 6.461 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.279 5.568 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.522 3.771 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.842 3.340 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.475 5.457 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.834 3.734 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.111 3.705 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.823 2.478 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.543 4.436 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.441 3.208 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.147 4.921 -1.342 1.00 0.00 H new ATOM 201 N GLN A 17 -3.964 4.677 -5.760 1.00 0.00 N ATOM 202 CA GLN A 17 -4.345 4.311 -7.119 1.00 0.00 C ATOM 203 C GLN A 17 -4.144 2.819 -7.359 1.00 0.00 C ATOM 204 O GLN A 17 -3.435 2.150 -6.608 1.00 0.00 O ATOM 205 CB GLN A 17 -3.532 5.117 -8.134 1.00 0.00 C ATOM 206 CG GLN A 17 -3.963 6.571 -8.242 1.00 0.00 C ATOM 207 CD GLN A 17 -5.424 6.721 -8.616 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.878 6.177 -9.624 1.00 0.00 O ATOM 209 NE2 GLN A 17 -6.170 7.460 -7.805 1.00 0.00 N ATOM 0 H GLN A 17 -2.958 4.692 -5.593 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.403 4.541 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.479 5.079 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.620 4.647 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.782 7.071 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.348 7.074 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.753 7.892 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.161 7.596 -8.006 1.00 0.00 H new ATOM 218 N GLY A 18 -4.774 2.302 -8.410 1.00 0.00 N ATOM 219 CA GLY A 18 -4.651 0.892 -8.729 1.00 0.00 C ATOM 220 C GLY A 18 -5.998 0.209 -8.864 1.00 0.00 C ATOM 221 O GLY A 18 -6.833 0.288 -7.964 1.00 0.00 O ATOM 0 H GLY A 18 -5.367 2.835 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.095 0.780 -9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.072 0.396 -7.951 1.00 0.00 H new ATOM 225 N GLU A 19 -6.209 -0.462 -9.992 1.00 0.00 N ATOM 226 CA GLU A 19 -7.465 -1.159 -10.241 1.00 0.00 C ATOM 227 C GLU A 19 -7.606 -2.372 -9.326 1.00 0.00 C ATOM 228 O GLU A 19 -8.644 -2.569 -8.694 1.00 0.00 O ATOM 229 CB GLU A 19 -7.548 -1.599 -11.705 1.00 0.00 C ATOM 230 CG GLU A 19 -7.490 -0.445 -12.691 1.00 0.00 C ATOM 231 CD GLU A 19 -6.105 0.165 -12.794 1.00 0.00 C ATOM 232 OE1 GLU A 19 -5.138 -0.595 -13.010 1.00 0.00 O ATOM 233 OE2 GLU A 19 -5.989 1.401 -12.659 1.00 0.00 O ATOM 0 H GLU A 19 -5.527 -0.538 -10.747 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.282 -0.469 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.730 -2.287 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.476 -2.150 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.802 -0.796 -13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.200 0.324 -12.387 1.00 0.00 H new ATOM 240 N ASP A 20 -6.554 -3.181 -9.260 1.00 0.00 N ATOM 241 CA ASP A 20 -6.559 -4.374 -8.422 1.00 0.00 C ATOM 242 C ASP A 20 -5.789 -4.132 -7.127 1.00 0.00 C ATOM 243 O ASP A 20 -4.690 -4.655 -6.939 1.00 0.00 O ATOM 244 CB ASP A 20 -5.951 -5.557 -9.178 1.00 0.00 C ATOM 245 CG ASP A 20 -4.464 -5.387 -9.419 1.00 0.00 C ATOM 246 OD1 ASP A 20 -4.042 -4.259 -9.748 1.00 0.00 O ATOM 247 OD2 ASP A 20 -3.723 -6.382 -9.280 1.00 0.00 O ATOM 0 H ASP A 20 -5.687 -3.032 -9.777 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.594 -4.607 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.122 -6.473 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.460 -5.674 -10.135 1.00 0.00 H new ATOM 252 N LEU A 21 -6.372 -3.335 -6.238 1.00 0.00 N ATOM 253 CA LEU A 21 -5.740 -3.022 -4.961 1.00 0.00 C ATOM 254 C LEU A 21 -6.183 -4.003 -3.880 1.00 0.00 C ATOM 255 O LEU A 21 -5.366 -4.499 -3.104 1.00 0.00 O ATOM 256 CB LEU A 21 -6.079 -1.592 -4.539 1.00 0.00 C ATOM 257 CG LEU A 21 -5.155 -0.497 -5.073 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.693 0.879 -4.712 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.744 -0.679 -4.531 1.00 0.00 C ATOM 0 H LEU A 21 -7.281 -2.894 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.661 -3.111 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.096 -1.371 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.073 -1.545 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.119 -0.577 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.022 1.645 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.683 1.008 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.760 0.971 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.100 0.109 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.763 -0.626 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.358 -1.650 -4.841 1.00 0.00 H new ATOM 271 N HIS A 22 -7.483 -4.279 -3.835 1.00 0.00 N ATOM 272 CA HIS A 22 -8.035 -5.202 -2.850 1.00 0.00 C ATOM 273 C HIS A 22 -8.063 -6.626 -3.397 1.00 0.00 C ATOM 274 O HIS A 22 -8.843 -7.462 -2.940 1.00 0.00 O ATOM 275 CB HIS A 22 -9.445 -4.770 -2.448 1.00 0.00 C ATOM 276 CG HIS A 22 -9.467 -3.703 -1.398 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.080 -3.865 -0.173 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.947 -2.453 -1.394 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.936 -2.761 0.538 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.252 -1.889 -0.180 1.00 0.00 N ATOM 0 H HIS A 22 -8.173 -3.877 -4.469 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.393 -5.182 -1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.972 -4.410 -3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.992 -5.639 -2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.395 -1.986 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.314 -2.599 1.537 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.992 -0.949 0.119 1.00 0.00 H new ATOM 289 N ARG A 23 -7.209 -6.895 -4.379 1.00 0.00 N ATOM 290 CA ARG A 23 -7.138 -8.217 -4.990 1.00 0.00 C ATOM 291 C ARG A 23 -5.723 -8.516 -5.476 1.00 0.00 C ATOM 292 O ARG A 23 -5.165 -7.777 -6.286 1.00 0.00 O ATOM 293 CB ARG A 23 -8.121 -8.316 -6.158 1.00 0.00 C ATOM 294 CG ARG A 23 -8.634 -9.726 -6.404 1.00 0.00 C ATOM 295 CD ARG A 23 -7.609 -10.570 -7.144 1.00 0.00 C ATOM 296 NE ARG A 23 -7.516 -10.206 -8.555 1.00 0.00 N ATOM 297 CZ ARG A 23 -8.372 -10.626 -9.481 1.00 0.00 C ATOM 298 NH1 ARG A 23 -9.378 -11.421 -9.145 1.00 0.00 N ATOM 299 NH2 ARG A 23 -8.221 -10.251 -10.745 1.00 0.00 N ATOM 0 H ARG A 23 -6.556 -6.215 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.407 -8.954 -4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.969 -7.658 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.635 -7.952 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.876 -10.198 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.557 -9.683 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.633 -10.450 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.877 -11.623 -7.058 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.752 -9.596 -8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.496 -11.711 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.034 -11.742 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.447 -9.640 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.878 -10.574 -11.455 1.00 0.00 H new ATOM 313 N ALA A 24 -5.148 -9.605 -4.975 1.00 0.00 N ATOM 314 CA ALA A 24 -3.800 -10.003 -5.359 1.00 0.00 C ATOM 315 C ALA A 24 -3.715 -11.508 -5.586 1.00 0.00 C ATOM 316 O ALA A 24 -4.589 -12.261 -5.156 1.00 0.00 O ATOM 317 CB ALA A 24 -2.799 -9.570 -4.297 1.00 0.00 C ATOM 0 H ALA A 24 -5.596 -10.227 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.555 -9.506 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.796 -9.874 -4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.832 -8.486 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.051 -10.040 -3.346 1.00 0.00 H new ATOM 323 N ARG A 25 -2.658 -11.941 -6.265 1.00 0.00 N ATOM 324 CA ARG A 25 -2.460 -13.357 -6.551 1.00 0.00 C ATOM 325 C ARG A 25 -1.190 -13.874 -5.883 1.00 0.00 C ATOM 326 O ARG A 25 -0.235 -13.125 -5.679 1.00 0.00 O ATOM 327 CB ARG A 25 -2.386 -13.589 -8.061 1.00 0.00 C ATOM 328 CG ARG A 25 -3.736 -13.867 -8.702 1.00 0.00 C ATOM 329 CD ARG A 25 -3.633 -13.924 -10.218 1.00 0.00 C ATOM 330 NE ARG A 25 -3.184 -12.654 -10.783 1.00 0.00 N ATOM 331 CZ ARG A 25 -3.944 -11.566 -10.841 1.00 0.00 C ATOM 332 NH1 ARG A 25 -5.183 -11.593 -10.369 1.00 0.00 N ATOM 333 NH2 ARG A 25 -3.465 -10.448 -11.371 1.00 0.00 N ATOM 0 H ARG A 25 -1.925 -11.331 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.311 -13.906 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.943 -12.712 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.720 -14.429 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.130 -14.812 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.444 -13.090 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.939 -14.714 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.604 -14.185 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.235 -12.600 -11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.554 -12.451 -9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.765 -10.756 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.512 -10.423 -11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.049 -9.613 -11.415 1.00 0.00 H new ATOM 347 N GLU A 26 -1.186 -15.160 -5.545 1.00 0.00 N ATOM 348 CA GLU A 26 -0.033 -15.776 -4.899 1.00 0.00 C ATOM 349 C GLU A 26 1.187 -15.740 -5.815 1.00 0.00 C ATOM 350 O GLU A 26 1.082 -15.979 -7.018 1.00 0.00 O ATOM 351 CB GLU A 26 -0.351 -17.222 -4.510 1.00 0.00 C ATOM 352 CG GLU A 26 0.885 -18.075 -4.277 1.00 0.00 C ATOM 353 CD GLU A 26 0.567 -19.385 -3.582 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.612 -19.796 -3.604 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.496 -19.998 -3.017 1.00 0.00 O ATOM 0 H GLU A 26 -1.968 -15.795 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 26 0.194 -15.207 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.957 -17.221 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.953 -17.677 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.364 -18.283 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.601 -17.514 -3.677 1.00 0.00 H new ATOM 362 N LYS A 27 2.345 -15.440 -5.236 1.00 0.00 N ATOM 363 CA LYS A 27 3.586 -15.372 -5.997 1.00 0.00 C ATOM 364 C LYS A 27 3.463 -14.384 -7.153 1.00 0.00 C ATOM 365 O LYS A 27 3.981 -14.624 -8.243 1.00 0.00 O ATOM 366 CB LYS A 27 3.956 -16.757 -6.533 1.00 0.00 C ATOM 367 CG LYS A 27 4.500 -17.696 -5.471 1.00 0.00 C ATOM 368 CD LYS A 27 4.892 -19.040 -6.061 1.00 0.00 C ATOM 369 CE LYS A 27 3.840 -19.549 -7.035 1.00 0.00 C ATOM 370 NZ LYS A 27 4.089 -20.962 -7.432 1.00 0.00 N ATOM 0 H LYS A 27 2.449 -15.240 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 27 4.374 -15.025 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.074 -17.209 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.700 -16.645 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.367 -17.241 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.748 -17.844 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.850 -18.948 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.028 -19.765 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.853 -19.469 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.832 -18.918 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.351 -21.271 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.020 -21.035 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.071 -21.568 -6.587 1.00 0.00 H new ATOM 384 N GLN A 28 2.776 -13.274 -6.906 1.00 0.00 N ATOM 385 CA GLN A 28 2.586 -12.250 -7.926 1.00 0.00 C ATOM 386 C GLN A 28 3.042 -10.886 -7.420 1.00 0.00 C ATOM 387 O GLN A 28 2.888 -10.566 -6.241 1.00 0.00 O ATOM 388 CB GLN A 28 1.117 -12.186 -8.348 1.00 0.00 C ATOM 389 CG GLN A 28 0.844 -11.176 -9.450 1.00 0.00 C ATOM 390 CD GLN A 28 1.252 -11.681 -10.820 1.00 0.00 C ATOM 391 OE1 GLN A 28 2.431 -11.927 -11.078 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.277 -11.839 -11.708 1.00 0.00 N ATOM 0 H GLN A 28 2.342 -13.061 -6.008 1.00 0.00 H new ATOM 0 HA GLN A 28 3.193 -12.518 -8.791 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.801 -13.173 -8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.509 -11.936 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.218 -10.932 -9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.381 -10.253 -9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.686 -11.623 -11.452 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.492 -12.176 -12.646 1.00 0.00 H new ATOM 401 N THR A 29 3.605 -10.084 -8.319 1.00 0.00 N ATOM 402 CA THR A 29 4.084 -8.755 -7.963 1.00 0.00 C ATOM 403 C THR A 29 3.017 -7.697 -8.223 1.00 0.00 C ATOM 404 O THR A 29 2.755 -7.335 -9.369 1.00 0.00 O ATOM 405 CB THR A 29 5.357 -8.387 -8.750 1.00 0.00 C ATOM 406 OG1 THR A 29 6.304 -9.458 -8.677 1.00 0.00 O ATOM 407 CG2 THR A 29 5.982 -7.113 -8.204 1.00 0.00 C ATOM 0 H THR A 29 3.740 -10.333 -9.299 1.00 0.00 H new ATOM 0 HA THR A 29 4.317 -8.778 -6.898 1.00 0.00 H new ATOM 0 HB THR A 29 5.078 -8.219 -9.790 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.109 -9.217 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.879 -6.874 -8.775 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.269 -6.293 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.247 -7.258 -7.157 1.00 0.00 H new ATOM 415 N ALA A 30 2.405 -7.206 -7.150 1.00 0.00 N ATOM 416 CA ALA A 30 1.368 -6.188 -7.263 1.00 0.00 C ATOM 417 C ALA A 30 1.877 -4.831 -6.789 1.00 0.00 C ATOM 418 O ALA A 30 2.305 -4.682 -5.644 1.00 0.00 O ATOM 419 CB ALA A 30 0.137 -6.598 -6.468 1.00 0.00 C ATOM 0 H ALA A 30 2.609 -7.497 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 30 1.095 -6.098 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.629 -5.829 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.248 -7.542 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.405 -6.718 -5.418 1.00 0.00 H new ATOM 425 N SER A 31 1.830 -3.843 -7.678 1.00 0.00 N ATOM 426 CA SER A 31 2.291 -2.499 -7.352 1.00 0.00 C ATOM 427 C SER A 31 1.181 -1.475 -7.571 1.00 0.00 C ATOM 428 O SER A 31 0.250 -1.708 -8.342 1.00 0.00 O ATOM 429 CB SER A 31 3.511 -2.135 -8.201 1.00 0.00 C ATOM 430 OG SER A 31 3.240 -2.304 -9.582 1.00 0.00 O ATOM 0 H SER A 31 1.477 -3.949 -8.629 1.00 0.00 H new ATOM 0 HA SER A 31 2.572 -2.484 -6.299 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.798 -1.101 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.357 -2.759 -7.914 1.00 0.00 H new ATOM 0 HG SER A 31 4.034 -2.063 -10.103 1.00 0.00 H new ATOM 436 N PHE A 32 1.288 -0.341 -6.888 1.00 0.00 N ATOM 437 CA PHE A 32 0.293 0.719 -7.006 1.00 0.00 C ATOM 438 C PHE A 32 0.940 2.092 -6.847 1.00 0.00 C ATOM 439 O PHE A 32 2.080 2.206 -6.393 1.00 0.00 O ATOM 440 CB PHE A 32 -0.806 0.536 -5.958 1.00 0.00 C ATOM 441 CG PHE A 32 -0.280 0.353 -4.563 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.136 -0.893 -4.123 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.201 1.427 -3.692 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.621 -1.065 -2.840 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.284 1.262 -2.408 1.00 0.00 C ATOM 446 CZ PHE A 32 0.694 0.014 -1.981 1.00 0.00 C ATOM 0 H PHE A 32 2.053 -0.132 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.150 0.658 -8.000 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.465 1.404 -5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.412 -0.330 -6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.081 -1.740 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.522 2.405 -4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.942 -2.042 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.342 2.108 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.071 -0.118 -0.978 1.00 0.00 H new ATOM 456 N THR A 33 0.204 3.134 -7.222 1.00 0.00 N ATOM 457 CA THR A 33 0.705 4.499 -7.123 1.00 0.00 C ATOM 458 C THR A 33 0.055 5.240 -5.961 1.00 0.00 C ATOM 459 O THR A 33 -1.156 5.148 -5.752 1.00 0.00 O ATOM 460 CB THR A 33 0.454 5.285 -8.424 1.00 0.00 C ATOM 461 OG1 THR A 33 1.213 4.715 -9.495 1.00 0.00 O ATOM 462 CG2 THR A 33 0.830 6.749 -8.252 1.00 0.00 C ATOM 0 H THR A 33 -0.741 3.058 -7.597 1.00 0.00 H new ATOM 0 HA THR A 33 1.779 4.430 -6.951 1.00 0.00 H new ATOM 0 HB THR A 33 -0.608 5.224 -8.660 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.046 5.219 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.644 7.284 -9.183 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.229 7.188 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.886 6.825 -7.994 1.00 0.00 H new ATOM 470 N LEU A 34 0.864 5.974 -5.206 1.00 0.00 N ATOM 471 CA LEU A 34 0.367 6.733 -4.064 1.00 0.00 C ATOM 472 C LEU A 34 0.565 8.230 -4.277 1.00 0.00 C ATOM 473 O LEU A 34 1.692 8.725 -4.273 1.00 0.00 O ATOM 474 CB LEU A 34 1.078 6.290 -2.784 1.00 0.00 C ATOM 475 CG LEU A 34 0.941 7.225 -1.582 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.450 7.115 -0.977 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.004 6.913 -0.539 1.00 0.00 C ATOM 0 H LEU A 34 1.868 6.060 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.701 6.537 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.696 5.309 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.138 6.168 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 34 1.087 8.249 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.529 7.787 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.195 7.389 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.624 6.090 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.891 7.588 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.890 5.883 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.993 7.044 -0.977 1.00 0.00 H new ATOM 489 N LEU A 35 -0.539 8.947 -4.460 1.00 0.00 N ATOM 490 CA LEU A 35 -0.488 10.389 -4.673 1.00 0.00 C ATOM 491 C LEU A 35 -0.364 11.131 -3.345 1.00 0.00 C ATOM 492 O LEU A 35 -0.708 10.597 -2.290 1.00 0.00 O ATOM 493 CB LEU A 35 -1.738 10.859 -5.418 1.00 0.00 C ATOM 494 CG LEU A 35 -2.033 10.157 -6.744 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.514 10.246 -7.077 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.196 10.758 -7.863 1.00 0.00 C ATOM 0 H LEU A 35 -1.480 8.553 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 35 0.392 10.612 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.598 10.728 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.642 11.928 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.767 9.105 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.705 9.741 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.094 9.768 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.806 11.293 -7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.419 10.246 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.431 11.818 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.138 10.641 -7.629 1.00 0.00 H new ATOM 508 N CYS A 36 0.126 12.364 -3.406 1.00 0.00 N ATOM 509 CA CYS A 36 0.294 13.180 -2.209 1.00 0.00 C ATOM 510 C CYS A 36 -0.401 14.528 -2.369 1.00 0.00 C ATOM 511 O CYS A 36 -0.093 15.294 -3.283 1.00 0.00 O ATOM 512 CB CYS A 36 1.780 13.390 -1.914 1.00 0.00 C ATOM 513 SG CYS A 36 2.719 11.856 -1.725 1.00 0.00 S ATOM 0 H CYS A 36 0.414 12.821 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.164 12.653 -1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.220 13.976 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.879 13.979 -1.002 1.00 0.00 H new ATOM 0 HG CYS A 36 3.656 11.807 -2.625 1.00 0.00 H new ATOM 519 N LYS A 37 -1.341 14.813 -1.474 1.00 0.00 N ATOM 520 CA LYS A 37 -2.081 16.069 -1.514 1.00 0.00 C ATOM 521 C LYS A 37 -1.875 16.863 -0.229 1.00 0.00 C ATOM 522 O LYS A 37 -1.370 16.337 0.763 1.00 0.00 O ATOM 523 CB LYS A 37 -3.573 15.799 -1.725 1.00 0.00 C ATOM 524 CG LYS A 37 -3.917 15.358 -3.137 1.00 0.00 C ATOM 525 CD LYS A 37 -3.858 13.846 -3.280 1.00 0.00 C ATOM 526 CE LYS A 37 -4.044 13.415 -4.726 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.480 13.406 -5.122 1.00 0.00 N ATOM 0 H LYS A 37 -1.609 14.191 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.702 16.658 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.897 15.030 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.134 16.703 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.916 15.710 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.224 15.818 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.899 13.482 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.631 13.391 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.491 14.089 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.623 12.419 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.588 12.904 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.039 12.923 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.817 14.384 -5.227 1.00 0.00 H new ATOM 541 N ASP A 38 -2.269 18.132 -0.253 1.00 0.00 N ATOM 542 CA ASP A 38 -2.129 18.998 0.911 1.00 0.00 C ATOM 543 C ASP A 38 -3.343 18.877 1.828 1.00 0.00 C ATOM 544 O ASP A 38 -4.301 18.172 1.514 1.00 0.00 O ATOM 545 CB ASP A 38 -1.949 20.453 0.473 1.00 0.00 C ATOM 546 CG ASP A 38 -3.268 21.127 0.148 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.256 20.407 -0.106 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.311 22.375 0.149 1.00 0.00 O ATOM 0 H ASP A 38 -2.688 18.583 -1.066 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.245 18.681 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.446 21.008 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.301 20.488 -0.403 1.00 0.00 H new ATOM 553 N ALA A 39 -3.293 19.568 2.962 1.00 0.00 N ATOM 554 CA ALA A 39 -4.388 19.539 3.923 1.00 0.00 C ATOM 555 C ALA A 39 -5.710 19.912 3.261 1.00 0.00 C ATOM 556 O ALA A 39 -6.780 19.523 3.727 1.00 0.00 O ATOM 557 CB ALA A 39 -4.095 20.475 5.086 1.00 0.00 C ATOM 0 H ALA A 39 -2.506 20.155 3.237 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.477 18.522 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.922 20.443 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.177 20.161 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.976 21.492 4.713 1.00 0.00 H new ATOM 563 N ALA A 40 -5.628 20.670 2.173 1.00 0.00 N ATOM 564 CA ALA A 40 -6.818 21.095 1.446 1.00 0.00 C ATOM 565 C ALA A 40 -7.333 19.984 0.538 1.00 0.00 C ATOM 566 O ALA A 40 -8.493 19.991 0.129 1.00 0.00 O ATOM 567 CB ALA A 40 -6.521 22.348 0.635 1.00 0.00 C ATOM 0 H ALA A 40 -4.750 21.003 1.775 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.597 21.323 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.418 22.654 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.208 23.149 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.724 22.139 -0.078 1.00 0.00 H new ATOM 573 N GLY A 41 -6.462 19.029 0.226 1.00 0.00 N ATOM 574 CA GLY A 41 -6.847 17.925 -0.633 1.00 0.00 C ATOM 575 C GLY A 41 -6.525 18.184 -2.091 1.00 0.00 C ATOM 576 O GLY A 41 -7.143 17.602 -2.982 1.00 0.00 O ATOM 0 H GLY A 41 -5.496 19.001 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.335 17.020 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.916 17.743 -0.527 1.00 0.00 H new ATOM 580 N GLU A 42 -5.556 19.060 -2.335 1.00 0.00 N ATOM 581 CA GLU A 42 -5.155 19.397 -3.696 1.00 0.00 C ATOM 582 C GLU A 42 -3.683 19.069 -3.926 1.00 0.00 C ATOM 583 O GLU A 42 -2.902 18.970 -2.979 1.00 0.00 O ATOM 584 CB GLU A 42 -5.408 20.880 -3.974 1.00 0.00 C ATOM 585 CG GLU A 42 -4.427 21.806 -3.275 1.00 0.00 C ATOM 586 CD GLU A 42 -5.036 23.153 -2.936 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.492 23.849 -3.868 1.00 0.00 O ATOM 588 OE2 GLU A 42 -5.057 23.511 -1.740 1.00 0.00 O ATOM 0 H GLU A 42 -5.034 19.549 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.754 18.799 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.356 21.054 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.421 21.133 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.073 21.331 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.556 21.955 -3.913 1.00 0.00 H new ATOM 595 N ILE A 43 -3.311 18.900 -5.191 1.00 0.00 N ATOM 596 CA ILE A 43 -1.933 18.584 -5.546 1.00 0.00 C ATOM 597 C ILE A 43 -0.974 19.652 -5.033 1.00 0.00 C ATOM 598 O ILE A 43 -1.247 20.848 -5.139 1.00 0.00 O ATOM 599 CB ILE A 43 -1.763 18.445 -7.070 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.765 17.432 -7.628 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.339 18.030 -7.408 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.568 16.031 -7.095 1.00 0.00 C ATOM 0 H ILE A 43 -3.945 18.977 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.696 17.631 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.959 19.413 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.776 17.764 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.683 17.413 -8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.234 17.936 -8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.357 18.784 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.118 17.072 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.313 15.367 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.570 15.679 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.679 16.035 -6.011 1.00 0.00 H new ATOM 614 N MET A 44 0.151 19.213 -4.479 1.00 0.00 N ATOM 615 CA MET A 44 1.153 20.133 -3.953 1.00 0.00 C ATOM 616 C MET A 44 2.315 20.288 -4.929 1.00 0.00 C ATOM 617 O MET A 44 2.884 21.370 -5.064 1.00 0.00 O ATOM 618 CB MET A 44 1.670 19.638 -2.601 1.00 0.00 C ATOM 619 CG MET A 44 2.105 18.181 -2.612 1.00 0.00 C ATOM 620 SD MET A 44 2.749 17.636 -1.019 1.00 0.00 S ATOM 621 CE MET A 44 1.305 17.847 0.020 1.00 0.00 C ATOM 0 H MET A 44 0.392 18.227 -4.383 1.00 0.00 H new ATOM 0 HA MET A 44 0.682 21.107 -3.820 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.513 20.258 -2.295 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.889 19.770 -1.852 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.257 17.555 -2.890 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.870 18.040 -3.376 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.552 18.498 0.859 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.500 18.296 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.983 16.876 0.397 1.00 0.00 H new ATOM 631 N GLY A 45 2.662 19.198 -5.607 1.00 0.00 N ATOM 632 CA GLY A 45 3.755 19.235 -6.561 1.00 0.00 C ATOM 633 C GLY A 45 5.096 18.944 -5.918 1.00 0.00 C ATOM 634 O GLY A 45 6.120 19.493 -6.327 1.00 0.00 O ATOM 0 H GLY A 45 2.206 18.291 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.569 18.507 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.788 20.217 -7.034 1.00 0.00 H new ATOM 638 N ARG A 46 5.092 18.081 -4.907 1.00 0.00 N ATOM 639 CA ARG A 46 6.317 17.722 -4.204 1.00 0.00 C ATOM 640 C ARG A 46 6.059 16.605 -3.197 1.00 0.00 C ATOM 641 O ARG A 46 4.918 16.359 -2.807 1.00 0.00 O ATOM 642 CB ARG A 46 6.898 18.943 -3.489 1.00 0.00 C ATOM 643 CG ARG A 46 5.950 19.563 -2.475 1.00 0.00 C ATOM 644 CD ARG A 46 5.053 20.609 -3.118 1.00 0.00 C ATOM 645 NE ARG A 46 4.655 21.647 -2.171 1.00 0.00 N ATOM 646 CZ ARG A 46 5.443 22.655 -1.812 1.00 0.00 C ATOM 647 NH1 ARG A 46 6.663 22.760 -2.319 1.00 0.00 N ATOM 648 NH2 ARG A 46 5.010 23.560 -0.944 1.00 0.00 N ATOM 0 H ARG A 46 4.254 17.618 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 46 7.037 17.365 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.819 18.653 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.165 19.695 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.336 18.783 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.525 20.021 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.575 21.066 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.163 20.125 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 46 3.722 21.595 -1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.999 22.066 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.266 23.535 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.072 23.482 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.615 24.333 -0.669 1.00 0.00 H new ATOM 662 N GLY A 47 7.127 15.932 -2.780 1.00 0.00 N ATOM 663 CA GLY A 47 6.994 14.849 -1.823 1.00 0.00 C ATOM 664 C GLY A 47 7.665 15.159 -0.499 1.00 0.00 C ATOM 665 O GLY A 47 7.042 15.715 0.405 1.00 0.00 O ATOM 0 H GLY A 47 8.082 16.117 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.937 14.647 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.428 13.942 -2.243 1.00 0.00 H new ATOM 669 N GLY A 48 8.939 14.798 -0.384 1.00 0.00 N ATOM 670 CA GLY A 48 9.673 15.048 0.843 1.00 0.00 C ATOM 671 C GLY A 48 8.937 14.549 2.070 1.00 0.00 C ATOM 672 O GLY A 48 8.861 15.246 3.082 1.00 0.00 O ATOM 0 H GLY A 48 9.476 14.337 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.647 14.563 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.855 16.118 0.942 1.00 0.00 H new ATOM 676 N ASP A 49 8.393 13.340 1.981 1.00 0.00 N ATOM 677 CA ASP A 49 7.659 12.749 3.094 1.00 0.00 C ATOM 678 C ASP A 49 8.186 11.353 3.411 1.00 0.00 C ATOM 679 O ASP A 49 9.003 10.804 2.673 1.00 0.00 O ATOM 680 CB ASP A 49 6.166 12.682 2.769 1.00 0.00 C ATOM 681 CG ASP A 49 5.480 14.026 2.918 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.709 14.697 3.946 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.714 14.406 2.008 1.00 0.00 O ATOM 0 H ASP A 49 8.446 12.751 1.150 1.00 0.00 H new ATOM 0 HA ASP A 49 7.804 13.381 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.035 12.322 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.686 11.957 3.427 1.00 0.00 H new ATOM 688 N ASN A 50 7.712 10.784 4.516 1.00 0.00 N ATOM 689 CA ASN A 50 8.137 9.453 4.932 1.00 0.00 C ATOM 690 C ASN A 50 6.976 8.465 4.863 1.00 0.00 C ATOM 691 O ASN A 50 6.143 8.405 5.768 1.00 0.00 O ATOM 692 CB ASN A 50 8.701 9.496 6.354 1.00 0.00 C ATOM 693 CG ASN A 50 10.194 9.760 6.376 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.952 9.162 5.612 1.00 0.00 O ATOM 695 ND2 ASN A 50 10.623 10.658 7.254 1.00 0.00 N ATOM 0 H ASN A 50 7.034 11.224 5.138 1.00 0.00 H new ATOM 0 HA ASN A 50 8.917 9.118 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.189 10.273 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.495 8.549 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.617 10.877 7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.958 11.129 7.868 1.00 0.00 H new ATOM 702 N VAL A 51 6.928 7.690 3.784 1.00 0.00 N ATOM 703 CA VAL A 51 5.871 6.704 3.597 1.00 0.00 C ATOM 704 C VAL A 51 6.199 5.404 4.323 1.00 0.00 C ATOM 705 O VAL A 51 7.334 4.929 4.283 1.00 0.00 O ATOM 706 CB VAL A 51 5.642 6.402 2.104 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.558 5.349 1.932 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.284 7.676 1.353 1.00 0.00 C ATOM 0 H VAL A 51 7.609 7.726 3.026 1.00 0.00 H new ATOM 0 HA VAL A 51 4.961 7.132 4.017 1.00 0.00 H new ATOM 0 HB VAL A 51 6.567 6.007 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.410 5.149 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.860 4.431 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.626 5.712 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.125 7.445 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.372 8.102 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.097 8.395 1.448 1.00 0.00 H new ATOM 718 N GLN A 52 5.197 4.833 4.984 1.00 0.00 N ATOM 719 CA GLN A 52 5.380 3.587 5.719 1.00 0.00 C ATOM 720 C GLN A 52 4.501 2.481 5.143 1.00 0.00 C ATOM 721 O GLN A 52 3.279 2.616 5.078 1.00 0.00 O ATOM 722 CB GLN A 52 5.056 3.792 7.200 1.00 0.00 C ATOM 723 CG GLN A 52 6.123 4.569 7.954 1.00 0.00 C ATOM 724 CD GLN A 52 7.522 4.053 7.683 1.00 0.00 C ATOM 725 OE1 GLN A 52 7.727 2.856 7.483 1.00 0.00 O ATOM 726 NE2 GLN A 52 8.496 4.956 7.676 1.00 0.00 N ATOM 0 H GLN A 52 4.251 5.213 5.026 1.00 0.00 H new ATOM 0 HA GLN A 52 6.423 3.286 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.106 4.319 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.925 2.819 7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.067 5.621 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.920 4.513 9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.282 5.939 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.458 4.667 7.500 1.00 0.00 H new ATOM 735 N VAL A 53 5.132 1.388 4.725 1.00 0.00 N ATOM 736 CA VAL A 53 4.407 0.259 4.154 1.00 0.00 C ATOM 737 C VAL A 53 4.800 -1.047 4.836 1.00 0.00 C ATOM 738 O VAL A 53 5.983 -1.323 5.036 1.00 0.00 O ATOM 739 CB VAL A 53 4.666 0.133 2.641 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.041 -1.142 2.097 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.132 1.354 1.907 1.00 0.00 C ATOM 0 H VAL A 53 6.143 1.261 4.771 1.00 0.00 H new ATOM 0 HA VAL A 53 3.346 0.448 4.319 1.00 0.00 H new ATOM 0 HB VAL A 53 5.742 0.080 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.234 -1.214 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.475 -2.004 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.965 -1.123 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.323 1.249 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.059 1.440 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.631 2.249 2.279 1.00 0.00 H new ATOM 751 N ALA A 54 3.800 -1.847 5.191 1.00 0.00 N ATOM 752 CA ALA A 54 4.041 -3.125 5.849 1.00 0.00 C ATOM 753 C ALA A 54 2.863 -4.074 5.652 1.00 0.00 C ATOM 754 O ALA A 54 1.791 -3.874 6.222 1.00 0.00 O ATOM 755 CB ALA A 54 4.310 -2.914 7.331 1.00 0.00 C ATOM 0 H ALA A 54 2.815 -1.633 5.034 1.00 0.00 H new ATOM 0 HA ALA A 54 4.921 -3.580 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.488 -3.877 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.188 -2.280 7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.447 -2.434 7.793 1.00 0.00 H new ATOM 761 N VAL A 55 3.070 -5.107 4.841 1.00 0.00 N ATOM 762 CA VAL A 55 2.025 -6.087 4.570 1.00 0.00 C ATOM 763 C VAL A 55 2.102 -7.256 5.545 1.00 0.00 C ATOM 764 O VAL A 55 3.100 -7.974 5.594 1.00 0.00 O ATOM 765 CB VAL A 55 2.122 -6.627 3.131 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.044 -7.670 2.878 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.020 -5.488 2.127 1.00 0.00 C ATOM 0 H VAL A 55 3.952 -5.287 4.360 1.00 0.00 H new ATOM 0 HA VAL A 55 1.071 -5.575 4.695 1.00 0.00 H new ATOM 0 HB VAL A 55 3.093 -7.106 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.128 -8.040 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.168 -8.498 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.062 -7.220 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.090 -5.887 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.064 -4.979 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.832 -4.781 2.295 1.00 0.00 H new ATOM 777 N VAL A 56 1.039 -7.442 6.322 1.00 0.00 N ATOM 778 CA VAL A 56 0.984 -8.525 7.296 1.00 0.00 C ATOM 779 C VAL A 56 -0.281 -9.357 7.123 1.00 0.00 C ATOM 780 O VAL A 56 -1.388 -8.831 7.002 1.00 0.00 O ATOM 781 CB VAL A 56 1.038 -7.986 8.738 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.253 -9.123 9.726 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.130 -6.937 8.874 1.00 0.00 C ATOM 0 H VAL A 56 0.204 -6.856 6.295 1.00 0.00 H new ATOM 0 HA VAL A 56 1.856 -9.155 7.118 1.00 0.00 H new ATOM 0 HB VAL A 56 0.082 -7.514 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.288 -8.723 10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.432 -9.835 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.193 -9.627 9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.154 -6.567 9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.094 -7.381 8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.926 -6.109 8.194 1.00 0.00 H new ATOM 793 N PRO A 57 -0.117 -10.688 7.110 1.00 0.00 N ATOM 794 CA PRO A 57 -1.236 -11.622 6.953 1.00 0.00 C ATOM 795 C PRO A 57 -2.146 -11.648 8.176 1.00 0.00 C ATOM 796 O PRO A 57 -1.678 -11.583 9.313 1.00 0.00 O ATOM 797 CB PRO A 57 -0.545 -12.976 6.772 1.00 0.00 C ATOM 798 CG PRO A 57 0.774 -12.821 7.445 1.00 0.00 C ATOM 799 CD PRO A 57 1.173 -11.384 7.249 1.00 0.00 C ATOM 0 HA PRO A 57 -1.885 -11.344 6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.127 -13.781 7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.425 -13.221 5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.702 -13.065 8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.514 -13.494 7.012 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.744 -11.006 8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.796 -11.257 6.363 1.00 0.00 H new ATOM 807 N LYS A 58 -3.450 -11.742 7.936 1.00 0.00 N ATOM 808 CA LYS A 58 -4.427 -11.778 9.018 1.00 0.00 C ATOM 809 C LYS A 58 -4.194 -12.985 9.921 1.00 0.00 C ATOM 810 O LYS A 58 -4.554 -12.970 11.099 1.00 0.00 O ATOM 811 CB LYS A 58 -5.847 -11.820 8.449 1.00 0.00 C ATOM 812 CG LYS A 58 -6.905 -11.319 9.417 1.00 0.00 C ATOM 813 CD LYS A 58 -7.132 -9.823 9.269 1.00 0.00 C ATOM 814 CE LYS A 58 -5.925 -9.027 9.740 1.00 0.00 C ATOM 815 NZ LYS A 58 -6.305 -7.660 10.194 1.00 0.00 N ATOM 0 H LYS A 58 -3.855 -11.795 7.001 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.307 -10.873 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.883 -11.218 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.085 -12.845 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.841 -11.849 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.599 -11.542 10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.340 -9.587 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.010 -9.529 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.436 -9.558 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.200 -8.952 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.837 -6.952 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.336 -7.545 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.008 -7.527 11.182 1.00 0.00 H new ATOM 829 N ASP A 59 -3.590 -14.028 9.363 1.00 0.00 N ATOM 830 CA ASP A 59 -3.307 -15.243 10.119 1.00 0.00 C ATOM 831 C ASP A 59 -2.260 -14.980 11.197 1.00 0.00 C ATOM 832 O ASP A 59 -2.563 -15.004 12.391 1.00 0.00 O ATOM 833 CB ASP A 59 -2.826 -16.352 9.182 1.00 0.00 C ATOM 834 CG ASP A 59 -2.021 -15.815 8.015 1.00 0.00 C ATOM 835 OD1 ASP A 59 -2.635 -15.430 6.998 1.00 0.00 O ATOM 836 OD2 ASP A 59 -0.777 -15.779 8.119 1.00 0.00 O ATOM 0 H ASP A 59 -3.287 -14.057 8.390 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.229 -15.563 10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.217 -17.060 9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.687 -16.902 8.803 1.00 0.00 H new ATOM 841 N LYS A 60 -1.028 -14.731 10.769 1.00 0.00 N ATOM 842 CA LYS A 60 0.066 -14.463 11.696 1.00 0.00 C ATOM 843 C LYS A 60 0.401 -12.976 11.728 1.00 0.00 C ATOM 844 O LYS A 60 0.285 -12.281 10.718 1.00 0.00 O ATOM 845 CB LYS A 60 1.306 -15.268 11.301 1.00 0.00 C ATOM 846 CG LYS A 60 1.028 -16.745 11.082 1.00 0.00 C ATOM 847 CD LYS A 60 2.257 -17.592 11.366 1.00 0.00 C ATOM 848 CE LYS A 60 1.877 -18.997 11.808 1.00 0.00 C ATOM 849 NZ LYS A 60 1.123 -19.726 10.750 1.00 0.00 N ATOM 0 H LYS A 60 -0.761 -14.709 9.785 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.254 -14.766 12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.727 -14.847 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.062 -15.161 12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.209 -17.062 11.728 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.703 -16.907 10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.877 -17.646 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.857 -17.116 12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.779 -19.555 12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.272 -18.942 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.956 -20.706 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.211 -19.254 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.675 -19.727 9.869 1.00 0.00 H new ATOM 863 N LYS A 61 0.818 -12.492 12.893 1.00 0.00 N ATOM 864 CA LYS A 61 1.174 -11.088 13.056 1.00 0.00 C ATOM 865 C LYS A 61 2.682 -10.891 12.943 1.00 0.00 C ATOM 866 O LYS A 61 3.170 -9.761 12.918 1.00 0.00 O ATOM 867 CB LYS A 61 0.681 -10.569 14.409 1.00 0.00 C ATOM 868 CG LYS A 61 1.118 -11.426 15.584 1.00 0.00 C ATOM 869 CD LYS A 61 0.080 -12.485 15.919 1.00 0.00 C ATOM 870 CE LYS A 61 -0.970 -11.951 16.881 1.00 0.00 C ATOM 871 NZ LYS A 61 -0.450 -11.858 18.273 1.00 0.00 N ATOM 0 H LYS A 61 0.918 -13.053 13.739 1.00 0.00 H new ATOM 0 HA LYS A 61 0.691 -10.523 12.259 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.048 -9.553 14.555 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.408 -10.516 14.394 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.068 -11.907 15.351 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.287 -10.792 16.455 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.403 -12.825 15.003 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.572 -13.352 16.360 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.299 -10.966 16.550 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.844 -12.602 16.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.235 -11.654 18.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.005 -12.760 18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.254 -11.095 18.330 1.00 0.00 H new ATOM 885 N ASP A 62 3.414 -11.997 12.875 1.00 0.00 N ATOM 886 CA ASP A 62 4.867 -11.947 12.762 1.00 0.00 C ATOM 887 C ASP A 62 5.308 -12.157 11.317 1.00 0.00 C ATOM 888 O ASP A 62 5.893 -11.267 10.700 1.00 0.00 O ATOM 889 CB ASP A 62 5.507 -13.004 13.663 1.00 0.00 C ATOM 890 CG ASP A 62 5.668 -12.527 15.092 1.00 0.00 C ATOM 891 OD1 ASP A 62 4.644 -12.418 15.799 1.00 0.00 O ATOM 892 OD2 ASP A 62 6.817 -12.261 15.504 1.00 0.00 O ATOM 0 H ASP A 62 3.025 -12.940 12.896 1.00 0.00 H new ATOM 0 HA ASP A 62 5.197 -10.959 13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.895 -13.906 13.651 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.483 -13.276 13.262 1.00 0.00 H new ATOM 897 N SER A 63 5.024 -13.341 10.783 1.00 0.00 N ATOM 898 CA SER A 63 5.395 -13.671 9.412 1.00 0.00 C ATOM 899 C SER A 63 5.300 -12.442 8.513 1.00 0.00 C ATOM 900 O SER A 63 4.229 -12.079 8.026 1.00 0.00 O ATOM 901 CB SER A 63 4.495 -14.783 8.871 1.00 0.00 C ATOM 902 OG SER A 63 3.248 -14.267 8.442 1.00 0.00 O ATOM 0 H SER A 63 4.538 -14.088 11.279 1.00 0.00 H new ATOM 0 HA SER A 63 6.428 -14.019 9.415 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.990 -15.283 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.335 -15.534 9.645 1.00 0.00 H new ATOM 0 HG SER A 63 3.397 -13.549 7.791 1.00 0.00 H new ATOM 908 N PRO A 64 6.447 -11.785 8.287 1.00 0.00 N ATOM 909 CA PRO A 64 6.521 -10.587 7.445 1.00 0.00 C ATOM 910 C PRO A 64 6.295 -10.900 5.970 1.00 0.00 C ATOM 911 O PRO A 64 6.310 -12.062 5.562 1.00 0.00 O ATOM 912 CB PRO A 64 7.948 -10.081 7.672 1.00 0.00 C ATOM 913 CG PRO A 64 8.720 -11.291 8.070 1.00 0.00 C ATOM 914 CD PRO A 64 7.761 -12.162 8.835 1.00 0.00 C ATOM 0 HA PRO A 64 5.751 -9.860 7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.357 -9.630 6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.979 -9.318 8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.107 -11.812 7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.578 -11.021 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.971 -13.221 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.817 -11.976 9.908 1.00 0.00 H new ATOM 922 N VAL A 65 6.087 -9.857 5.173 1.00 0.00 N ATOM 923 CA VAL A 65 5.860 -10.021 3.743 1.00 0.00 C ATOM 924 C VAL A 65 6.756 -9.089 2.934 1.00 0.00 C ATOM 925 O VAL A 65 6.683 -7.868 3.070 1.00 0.00 O ATOM 926 CB VAL A 65 4.390 -9.749 3.373 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.232 -9.627 1.865 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.491 -10.846 3.924 1.00 0.00 C ATOM 0 H VAL A 65 6.071 -8.889 5.494 1.00 0.00 H new ATOM 0 HA VAL A 65 6.103 -11.056 3.501 1.00 0.00 H new ATOM 0 HB VAL A 65 4.089 -8.803 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.187 -9.435 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.846 -8.804 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.550 -10.555 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.456 -10.638 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.790 -11.806 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.582 -10.880 5.010 1.00 0.00 H new ATOM 938 N ARG A 66 7.601 -9.675 2.091 1.00 0.00 N ATOM 939 CA ARG A 66 8.512 -8.897 1.260 1.00 0.00 C ATOM 940 C ARG A 66 7.773 -7.763 0.556 1.00 0.00 C ATOM 941 O ARG A 66 6.711 -7.971 -0.034 1.00 0.00 O ATOM 942 CB ARG A 66 9.188 -9.799 0.226 1.00 0.00 C ATOM 943 CG ARG A 66 10.456 -10.465 0.734 1.00 0.00 C ATOM 944 CD ARG A 66 11.673 -9.577 0.528 1.00 0.00 C ATOM 945 NE ARG A 66 12.915 -10.258 0.883 1.00 0.00 N ATOM 946 CZ ARG A 66 14.109 -9.678 0.843 1.00 0.00 C ATOM 947 NH1 ARG A 66 14.222 -8.411 0.467 1.00 0.00 N ATOM 948 NH2 ARG A 66 15.193 -10.364 1.181 1.00 0.00 N ATOM 0 H ARG A 66 7.673 -10.685 1.966 1.00 0.00 H new ATOM 0 HA ARG A 66 9.274 -8.463 1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.484 -10.570 -0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.427 -9.208 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.348 -10.695 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.604 -11.412 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.718 -9.261 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.569 -8.675 1.131 1.00 0.00 H new ATOM 0 HE ARG A 66 12.863 -11.233 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.391 -7.880 0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.140 -7.968 0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.110 -11.338 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.109 -9.917 1.150 1.00 0.00 H new ATOM 962 N THR A 67 8.340 -6.563 0.621 1.00 0.00 N ATOM 963 CA THR A 67 7.735 -5.396 -0.008 1.00 0.00 C ATOM 964 C THR A 67 8.791 -4.515 -0.665 1.00 0.00 C ATOM 965 O THR A 67 9.989 -4.716 -0.468 1.00 0.00 O ATOM 966 CB THR A 67 6.944 -4.555 1.012 1.00 0.00 C ATOM 967 OG1 THR A 67 7.722 -4.365 2.199 1.00 0.00 O ATOM 968 CG2 THR A 67 5.627 -5.230 1.366 1.00 0.00 C ATOM 0 H THR A 67 9.218 -6.374 1.104 1.00 0.00 H new ATOM 0 HA THR A 67 7.051 -5.768 -0.771 1.00 0.00 H new ATOM 0 HB THR A 67 6.728 -3.587 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.213 -3.828 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.087 -4.617 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.024 -5.347 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.825 -6.210 1.799 1.00 0.00 H new ATOM 976 N MET A 68 8.339 -3.540 -1.446 1.00 0.00 N ATOM 977 CA MET A 68 9.247 -2.627 -2.130 1.00 0.00 C ATOM 978 C MET A 68 8.719 -1.197 -2.083 1.00 0.00 C ATOM 979 O MET A 68 7.548 -0.948 -2.370 1.00 0.00 O ATOM 980 CB MET A 68 9.443 -3.063 -3.584 1.00 0.00 C ATOM 981 CG MET A 68 10.806 -2.699 -4.149 1.00 0.00 C ATOM 982 SD MET A 68 12.158 -3.531 -3.293 1.00 0.00 S ATOM 983 CE MET A 68 12.900 -4.446 -4.642 1.00 0.00 C ATOM 0 H MET A 68 7.350 -3.362 -1.621 1.00 0.00 H new ATOM 0 HA MET A 68 10.208 -2.657 -1.616 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.307 -4.142 -3.653 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.669 -2.604 -4.200 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.837 -2.958 -5.207 1.00 0.00 H new ATOM 0 HG3 MET A 68 10.947 -1.620 -4.081 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.753 -5.014 -4.271 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.165 -5.131 -5.065 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.234 -3.751 -5.413 1.00 0.00 H new ATOM 993 N VAL A 69 9.589 -0.260 -1.720 1.00 0.00 N ATOM 994 CA VAL A 69 9.210 1.145 -1.636 1.00 0.00 C ATOM 995 C VAL A 69 10.240 2.034 -2.323 1.00 0.00 C ATOM 996 O VAL A 69 11.200 2.484 -1.699 1.00 0.00 O ATOM 997 CB VAL A 69 9.052 1.598 -0.172 1.00 0.00 C ATOM 998 CG1 VAL A 69 8.686 3.072 -0.105 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.010 0.748 0.539 1.00 0.00 C ATOM 0 H VAL A 69 10.562 -0.449 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 69 8.251 1.245 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 69 10.006 1.463 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.579 3.373 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.472 3.664 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.745 3.237 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.911 1.082 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.050 0.849 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.320 -0.297 0.523 1.00 0.00 H new ATOM 1009 N GLN A 70 10.031 2.284 -3.612 1.00 0.00 N ATOM 1010 CA GLN A 70 10.943 3.120 -4.384 1.00 0.00 C ATOM 1011 C GLN A 70 10.614 4.598 -4.200 1.00 0.00 C ATOM 1012 O GLN A 70 9.774 5.150 -4.911 1.00 0.00 O ATOM 1013 CB GLN A 70 10.874 2.751 -5.867 1.00 0.00 C ATOM 1014 CG GLN A 70 12.135 3.101 -6.640 1.00 0.00 C ATOM 1015 CD GLN A 70 13.229 2.065 -6.472 1.00 0.00 C ATOM 1016 OE1 GLN A 70 14.049 2.154 -5.557 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.248 1.075 -7.357 1.00 0.00 N ATOM 0 H GLN A 70 9.240 1.920 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 70 11.955 2.944 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.687 1.681 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.026 3.263 -6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.892 3.199 -7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.504 4.071 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.549 1.041 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.962 0.349 -7.295 1.00 0.00 H new ATOM 1026 N ASP A 71 11.281 5.233 -3.243 1.00 0.00 N ATOM 1027 CA ASP A 71 11.060 6.647 -2.966 1.00 0.00 C ATOM 1028 C ASP A 71 11.363 7.496 -4.197 1.00 0.00 C ATOM 1029 O ASP A 71 12.440 7.395 -4.783 1.00 0.00 O ATOM 1030 CB ASP A 71 11.929 7.101 -1.792 1.00 0.00 C ATOM 1031 CG ASP A 71 13.272 6.398 -1.760 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.762 6.004 -2.840 1.00 0.00 O ATOM 1033 OD2 ASP A 71 13.834 6.241 -0.656 1.00 0.00 O ATOM 0 H ASP A 71 11.980 4.791 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 71 10.010 6.780 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.087 8.178 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.400 6.911 -0.858 1.00 0.00 H new ATOM 1038 N ASN A 72 10.405 8.332 -4.583 1.00 0.00 N ATOM 1039 CA ASN A 72 10.569 9.197 -5.746 1.00 0.00 C ATOM 1040 C ASN A 72 10.459 10.666 -5.350 1.00 0.00 C ATOM 1041 O ASN A 72 11.180 11.517 -5.872 1.00 0.00 O ATOM 1042 CB ASN A 72 9.518 8.864 -6.807 1.00 0.00 C ATOM 1043 CG ASN A 72 9.687 7.465 -7.369 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.654 7.181 -8.076 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.744 6.584 -7.056 1.00 0.00 N ATOM 0 H ASN A 72 9.508 8.429 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 72 11.562 9.023 -6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.523 8.960 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.582 9.589 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.804 5.627 -7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.960 6.864 -6.467 1.00 0.00 H new ATOM 1052 N LYS A 73 9.553 10.958 -4.423 1.00 0.00 N ATOM 1053 CA LYS A 73 9.350 12.324 -3.954 1.00 0.00 C ATOM 1054 C LYS A 73 9.026 13.256 -5.117 1.00 0.00 C ATOM 1055 O LYS A 73 9.319 14.450 -5.068 1.00 0.00 O ATOM 1056 CB LYS A 73 10.595 12.823 -3.217 1.00 0.00 C ATOM 1057 CG LYS A 73 10.931 12.016 -1.975 1.00 0.00 C ATOM 1058 CD LYS A 73 11.851 10.851 -2.298 1.00 0.00 C ATOM 1059 CE LYS A 73 12.735 10.494 -1.114 1.00 0.00 C ATOM 1060 NZ LYS A 73 13.946 9.735 -1.534 1.00 0.00 N ATOM 0 H LYS A 73 8.947 10.266 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 73 8.505 12.323 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.445 12.796 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.446 13.865 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.407 12.663 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.012 11.641 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.255 9.984 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.474 11.105 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.038 11.406 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.164 9.900 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.149 8.991 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.778 9.301 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.757 10.383 -1.596 1.00 0.00 H new ATOM 1074 N ASP A 74 8.420 12.702 -6.162 1.00 0.00 N ATOM 1075 CA ASP A 74 8.055 13.485 -7.337 1.00 0.00 C ATOM 1076 C ASP A 74 6.539 13.569 -7.484 1.00 0.00 C ATOM 1077 O ASP A 74 6.008 13.498 -8.592 1.00 0.00 O ATOM 1078 CB ASP A 74 8.669 12.871 -8.596 1.00 0.00 C ATOM 1079 CG ASP A 74 8.352 13.671 -9.844 1.00 0.00 C ATOM 1080 OD1 ASP A 74 8.982 14.731 -10.046 1.00 0.00 O ATOM 1081 OD2 ASP A 74 7.474 13.238 -10.619 1.00 0.00 O ATOM 0 H ASP A 74 8.171 11.714 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 74 8.446 14.494 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.750 12.806 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.300 11.853 -8.717 1.00 0.00 H new ATOM 1086 N GLY A 75 5.847 13.718 -6.358 1.00 0.00 N ATOM 1087 CA GLY A 75 4.399 13.807 -6.384 1.00 0.00 C ATOM 1088 C GLY A 75 3.731 12.488 -6.050 1.00 0.00 C ATOM 1089 O GLY A 75 2.660 12.461 -5.442 1.00 0.00 O ATOM 0 H GLY A 75 6.264 13.779 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.072 14.566 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.076 14.134 -7.372 1.00 0.00 H new ATOM 1093 N THR A 76 4.362 11.389 -6.450 1.00 0.00 N ATOM 1094 CA THR A 76 3.821 10.060 -6.192 1.00 0.00 C ATOM 1095 C THR A 76 4.900 9.120 -5.666 1.00 0.00 C ATOM 1096 O THR A 76 6.068 9.494 -5.565 1.00 0.00 O ATOM 1097 CB THR A 76 3.200 9.450 -7.463 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.158 9.454 -8.527 1.00 0.00 O ATOM 1099 CG2 THR A 76 1.962 10.227 -7.886 1.00 0.00 C ATOM 0 H THR A 76 5.249 11.393 -6.954 1.00 0.00 H new ATOM 0 HA THR A 76 3.044 10.176 -5.436 1.00 0.00 H new ATOM 0 HB THR A 76 2.908 8.423 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.756 9.063 -9.331 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.541 9.778 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.223 10.198 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.235 11.262 -8.091 1.00 0.00 H new ATOM 1107 N TYR A 77 4.501 7.897 -5.334 1.00 0.00 N ATOM 1108 CA TYR A 77 5.434 6.903 -4.816 1.00 0.00 C ATOM 1109 C TYR A 77 5.221 5.552 -5.492 1.00 0.00 C ATOM 1110 O TYR A 77 4.213 5.333 -6.164 1.00 0.00 O ATOM 1111 CB TYR A 77 5.271 6.759 -3.302 1.00 0.00 C ATOM 1112 CG TYR A 77 5.957 7.851 -2.513 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.322 9.063 -2.269 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.240 7.671 -2.011 1.00 0.00 C ATOM 1115 CE1 TYR A 77 5.945 10.064 -1.549 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.870 8.666 -1.288 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.219 9.860 -1.060 1.00 0.00 C ATOM 1118 OH TYR A 77 7.844 10.854 -0.342 1.00 0.00 O ATOM 0 H TYR A 77 3.538 7.570 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 77 6.446 7.244 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.209 6.758 -3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.670 5.793 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.324 9.225 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.754 6.738 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.438 11.001 -1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.867 8.509 -0.904 1.00 0.00 H new ATOM 0 HH TYR A 77 8.060 10.523 0.555 1.00 0.00 H new ATOM 1128 N TYR A 78 6.179 4.650 -5.310 1.00 0.00 N ATOM 1129 CA TYR A 78 6.099 3.320 -5.903 1.00 0.00 C ATOM 1130 C TYR A 78 6.114 2.241 -4.825 1.00 0.00 C ATOM 1131 O TYR A 78 7.136 2.007 -4.180 1.00 0.00 O ATOM 1132 CB TYR A 78 7.260 3.102 -6.875 1.00 0.00 C ATOM 1133 CG TYR A 78 6.932 2.154 -8.007 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.814 2.358 -8.808 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.738 1.056 -8.275 1.00 0.00 C ATOM 1136 CE1 TYR A 78 5.510 1.494 -9.842 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.443 0.188 -9.308 1.00 0.00 C ATOM 1138 CZ TYR A 78 6.328 0.411 -10.089 1.00 0.00 C ATOM 1139 OH TYR A 78 6.029 -0.452 -11.118 1.00 0.00 O ATOM 0 H TYR A 78 7.020 4.815 -4.757 1.00 0.00 H new ATOM 0 HA TYR A 78 5.158 3.249 -6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.559 4.064 -7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.116 2.714 -6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.173 3.206 -8.619 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.611 0.877 -7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.637 1.665 -10.454 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.082 -0.661 -9.503 1.00 0.00 H new ATOM 0 HH TYR A 78 6.705 -1.160 -11.158 1.00 0.00 H new ATOM 1149 N ILE A 79 4.973 1.586 -4.637 1.00 0.00 N ATOM 1150 CA ILE A 79 4.855 0.530 -3.639 1.00 0.00 C ATOM 1151 C ILE A 79 4.425 -0.786 -4.279 1.00 0.00 C ATOM 1152 O ILE A 79 3.448 -0.834 -5.026 1.00 0.00 O ATOM 1153 CB ILE A 79 3.846 0.906 -2.539 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.272 2.203 -1.847 1.00 0.00 C ATOM 1155 CG2 ILE A 79 3.719 -0.223 -1.527 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.117 2.985 -1.263 1.00 0.00 C ATOM 0 H ILE A 79 4.118 1.768 -5.162 1.00 0.00 H new ATOM 0 HA ILE A 79 5.841 0.408 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 79 2.871 1.065 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.978 1.966 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.800 2.831 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.002 0.059 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.374 -1.126 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.690 -0.411 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.494 3.891 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.421 3.254 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.602 2.374 -0.521 1.00 0.00 H new ATOM 1168 N SER A 80 5.160 -1.851 -3.980 1.00 0.00 N ATOM 1169 CA SER A 80 4.856 -3.168 -4.528 1.00 0.00 C ATOM 1170 C SER A 80 5.076 -4.256 -3.481 1.00 0.00 C ATOM 1171 O SER A 80 5.900 -4.107 -2.578 1.00 0.00 O ATOM 1172 CB SER A 80 5.724 -3.445 -5.757 1.00 0.00 C ATOM 1173 OG SER A 80 7.063 -3.724 -5.384 1.00 0.00 O ATOM 0 H SER A 80 5.971 -1.828 -3.361 1.00 0.00 H new ATOM 0 HA SER A 80 3.807 -3.178 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.315 -4.289 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.701 -2.583 -6.424 1.00 0.00 H new ATOM 0 HG SER A 80 7.597 -3.899 -6.187 1.00 0.00 H new ATOM 1179 N TYR A 81 4.332 -5.349 -3.608 1.00 0.00 N ATOM 1180 CA TYR A 81 4.442 -6.462 -2.672 1.00 0.00 C ATOM 1181 C TYR A 81 4.247 -7.796 -3.386 1.00 0.00 C ATOM 1182 O TYR A 81 3.507 -7.887 -4.366 1.00 0.00 O ATOM 1183 CB TYR A 81 3.413 -6.315 -1.550 1.00 0.00 C ATOM 1184 CG TYR A 81 1.981 -6.327 -2.036 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.354 -5.154 -2.438 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.256 -7.511 -2.094 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.046 -5.160 -2.883 1.00 0.00 C ATOM 1188 CE2 TYR A 81 -0.052 -7.526 -2.538 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.652 -6.348 -2.931 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.955 -6.358 -3.374 1.00 0.00 O ATOM 0 H TYR A 81 3.646 -5.488 -4.350 1.00 0.00 H new ATOM 0 HA TYR A 81 5.443 -6.445 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.551 -7.124 -0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.599 -5.382 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.898 -4.222 -2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.723 -8.435 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.427 -4.239 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.602 -8.455 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.084 -5.638 -4.026 1.00 0.00 H new ATOM 1200 N THR A 82 4.916 -8.830 -2.887 1.00 0.00 N ATOM 1201 CA THR A 82 4.818 -10.160 -3.475 1.00 0.00 C ATOM 1202 C THR A 82 4.527 -11.212 -2.411 1.00 0.00 C ATOM 1203 O THR A 82 5.418 -11.664 -1.692 1.00 0.00 O ATOM 1204 CB THR A 82 6.111 -10.542 -4.219 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.506 -9.478 -5.093 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.916 -11.819 -5.022 1.00 0.00 C ATOM 0 H THR A 82 5.532 -8.772 -2.076 1.00 0.00 H new ATOM 0 HA THR A 82 3.993 -10.130 -4.187 1.00 0.00 H new ATOM 0 HB THR A 82 6.893 -10.713 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.330 -9.728 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.843 -12.069 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.644 -12.633 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.121 -11.671 -5.753 1.00 0.00 H new ATOM 1214 N PRO A 83 3.252 -11.613 -2.307 1.00 0.00 N ATOM 1215 CA PRO A 83 2.815 -12.619 -1.334 1.00 0.00 C ATOM 1216 C PRO A 83 3.329 -14.014 -1.672 1.00 0.00 C ATOM 1217 O PRO A 83 3.184 -14.485 -2.800 1.00 0.00 O ATOM 1218 CB PRO A 83 1.288 -12.572 -1.437 1.00 0.00 C ATOM 1219 CG PRO A 83 1.016 -12.066 -2.811 1.00 0.00 C ATOM 1220 CD PRO A 83 2.137 -11.117 -3.132 1.00 0.00 C ATOM 0 HA PRO A 83 3.195 -12.411 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.851 -13.559 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.860 -11.914 -0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.981 -12.886 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.051 -11.560 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.385 -11.132 -4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.877 -10.089 -2.880 1.00 0.00 H new ATOM 1228 N LYS A 84 3.930 -14.673 -0.686 1.00 0.00 N ATOM 1229 CA LYS A 84 4.464 -16.016 -0.877 1.00 0.00 C ATOM 1230 C LYS A 84 3.359 -17.062 -0.768 1.00 0.00 C ATOM 1231 O LYS A 84 3.320 -18.018 -1.542 1.00 0.00 O ATOM 1232 CB LYS A 84 5.557 -16.303 0.155 1.00 0.00 C ATOM 1233 CG LYS A 84 6.674 -15.274 0.161 1.00 0.00 C ATOM 1234 CD LYS A 84 7.790 -15.668 1.114 1.00 0.00 C ATOM 1235 CE LYS A 84 7.410 -15.395 2.561 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.771 -14.011 2.978 1.00 0.00 N ATOM 0 H LYS A 84 4.059 -14.298 0.254 1.00 0.00 H new ATOM 0 HA LYS A 84 4.893 -16.071 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.107 -16.344 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.982 -17.287 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.076 -15.166 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.273 -14.302 0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.019 -16.727 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.695 -15.115 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.338 -15.545 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.912 -16.112 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.496 -13.864 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.797 -13.875 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.272 -13.326 2.376 1.00 0.00 H new ATOM 1250 N GLU A 85 2.464 -16.872 0.196 1.00 0.00 N ATOM 1251 CA GLU A 85 1.359 -17.800 0.404 1.00 0.00 C ATOM 1252 C GLU A 85 0.016 -17.093 0.236 1.00 0.00 C ATOM 1253 O GLU A 85 -0.111 -15.889 0.455 1.00 0.00 O ATOM 1254 CB GLU A 85 1.446 -18.428 1.796 1.00 0.00 C ATOM 1255 CG GLU A 85 2.721 -19.223 2.026 1.00 0.00 C ATOM 1256 CD GLU A 85 2.651 -20.092 3.267 1.00 0.00 C ATOM 1257 OE1 GLU A 85 2.291 -19.566 4.341 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.956 -21.299 3.163 1.00 0.00 O ATOM 0 H GLU A 85 2.482 -16.085 0.844 1.00 0.00 H new ATOM 0 HA GLU A 85 1.433 -18.587 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.379 -17.640 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.587 -19.083 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.914 -19.852 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.562 -18.536 2.115 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.010 -17.860 -0.162 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.361 -17.330 -0.368 1.00 0.00 C ATOM 1267 C PRO A 86 -3.035 -16.937 0.942 1.00 0.00 C ATOM 1268 O PRO A 86 -2.594 -17.329 2.021 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.104 -18.497 -1.023 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.371 -19.713 -0.572 1.00 0.00 C ATOM 1271 CD PRO A 86 -0.930 -19.304 -0.441 1.00 0.00 C ATOM 0 HA PRO A 86 -2.355 -16.420 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.148 -18.526 -0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.097 -18.411 -2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.762 -20.074 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.482 -20.525 -1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.431 -19.842 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.370 -19.507 -1.354 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.108 -16.159 0.840 1.00 0.00 N ATOM 1280 CA GLY A 87 -4.827 -15.726 2.024 1.00 0.00 C ATOM 1281 C GLY A 87 -5.048 -14.226 2.052 1.00 0.00 C ATOM 1282 O GLY A 87 -4.652 -13.515 1.129 1.00 0.00 O ATOM 0 H GLY A 87 -4.493 -15.821 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.791 -16.233 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.271 -16.025 2.913 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.685 -13.744 3.114 1.00 0.00 N ATOM 1287 CA VAL A 88 -5.960 -12.319 3.259 1.00 0.00 C ATOM 1288 C VAL A 88 -4.854 -11.623 4.045 1.00 0.00 C ATOM 1289 O VAL A 88 -4.336 -12.166 5.021 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.307 -12.076 3.964 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.357 -12.818 5.291 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.540 -10.587 4.168 1.00 0.00 C ATOM 0 H VAL A 88 -6.020 -14.319 3.887 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.005 -11.901 2.253 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.104 -12.462 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.316 -12.634 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.238 -13.887 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.552 -12.465 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.497 -10.433 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.740 -10.174 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.551 -10.085 3.201 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.498 -10.419 3.614 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.451 -9.648 4.276 1.00 0.00 C ATOM 1304 C TYR A 89 -3.947 -8.250 4.633 1.00 0.00 C ATOM 1305 O TYR A 89 -5.024 -7.832 4.205 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.216 -9.550 3.379 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.486 -10.863 3.208 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.089 -11.937 2.565 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.193 -11.030 3.688 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.427 -13.139 2.407 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.478 -12.227 3.534 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.143 -13.279 2.893 1.00 0.00 C ATOM 1313 OH TYR A 89 0.521 -14.474 2.736 1.00 0.00 O ATOM 0 H TYR A 89 -4.918 -9.955 2.809 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.182 -10.165 5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.518 -9.181 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.530 -8.814 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.093 -11.830 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.296 -10.209 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.911 -13.964 1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.483 -12.339 3.913 1.00 0.00 H new ATOM 0 HH TYR A 89 0.232 -14.902 1.903 1.00 0.00 H new ATOM 1323 N THR A 90 -3.153 -7.531 5.419 1.00 0.00 N ATOM 1324 CA THR A 90 -3.510 -6.180 5.835 1.00 0.00 C ATOM 1325 C THR A 90 -2.398 -5.191 5.502 1.00 0.00 C ATOM 1326 O THR A 90 -1.345 -5.188 6.139 1.00 0.00 O ATOM 1327 CB THR A 90 -3.802 -6.116 7.346 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.774 -7.107 7.699 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.310 -4.738 7.741 1.00 0.00 C ATOM 0 H THR A 90 -2.258 -7.861 5.781 1.00 0.00 H new ATOM 0 HA THR A 90 -4.412 -5.908 5.286 1.00 0.00 H new ATOM 0 HB THR A 90 -2.873 -6.311 7.882 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.672 -6.720 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.509 -4.717 8.812 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.557 -3.989 7.497 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.229 -4.519 7.197 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.640 -4.351 4.500 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.660 -3.355 4.084 1.00 0.00 C ATOM 1339 C VAL A 91 -1.677 -2.146 5.012 1.00 0.00 C ATOM 1340 O VAL A 91 -2.724 -1.540 5.240 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.918 -2.884 2.640 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.935 -1.790 2.253 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.831 -4.056 1.674 1.00 0.00 C ATOM 0 H VAL A 91 -3.506 -4.341 3.962 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.682 -3.833 4.134 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.925 -2.471 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.132 -1.469 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.050 -0.942 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.083 -2.174 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.016 -3.705 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.837 -4.500 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.578 -4.804 1.941 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.511 -1.800 5.545 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.391 -0.662 6.449 1.00 0.00 C ATOM 1355 C TRP A 92 0.256 0.526 5.745 1.00 0.00 C ATOM 1356 O TRP A 92 1.474 0.569 5.572 1.00 0.00 O ATOM 1357 CB TRP A 92 0.427 -1.048 7.682 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.347 -1.854 8.680 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.175 -2.908 8.417 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.368 -1.670 10.100 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.709 -3.390 9.588 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.228 -2.649 10.635 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.259 -0.775 10.972 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.477 -2.754 12.000 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.011 -0.882 12.327 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.851 -1.865 12.831 1.00 0.00 C ATOM 0 H TRP A 92 0.365 -2.291 5.367 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.393 -0.372 6.764 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.301 -1.617 7.366 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.794 -0.142 8.164 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.380 -3.304 7.433 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.358 -4.173 9.665 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.925 -0.014 10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.141 -3.511 12.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.490 -0.196 13.010 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.025 -1.922 13.895 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.566 1.489 5.342 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.073 2.679 4.658 1.00 0.00 C ATOM 1379 C VAL A 93 -0.279 3.927 5.509 1.00 0.00 C ATOM 1380 O VAL A 93 -1.399 4.421 5.644 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.772 2.876 3.300 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.294 4.158 2.634 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.531 1.675 2.398 1.00 0.00 C ATOM 0 H VAL A 93 -1.577 1.469 5.477 1.00 0.00 H new ATOM 0 HA VAL A 93 0.994 2.529 4.491 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.845 2.963 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.799 4.280 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.523 5.009 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.783 4.105 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.032 1.831 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.539 1.554 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.927 0.778 2.873 1.00 0.00 H new ATOM 1393 N CYS A 94 0.809 4.432 6.081 1.00 0.00 N ATOM 1394 CA CYS A 94 0.748 5.624 6.920 1.00 0.00 C ATOM 1395 C CYS A 94 1.897 6.574 6.600 1.00 0.00 C ATOM 1396 O CYS A 94 3.025 6.141 6.359 1.00 0.00 O ATOM 1397 CB CYS A 94 0.789 5.234 8.398 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.553 4.135 8.910 1.00 0.00 S ATOM 0 H CYS A 94 1.743 4.035 5.979 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.191 6.137 6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.742 4.748 8.608 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.753 6.140 9.003 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.431 3.861 10.175 1.00 0.00 H new ATOM 1404 N ILE A 95 1.603 7.869 6.596 1.00 0.00 N ATOM 1405 CA ILE A 95 2.612 8.880 6.305 1.00 0.00 C ATOM 1406 C ILE A 95 2.880 9.757 7.523 1.00 0.00 C ATOM 1407 O ILE A 95 1.972 10.398 8.053 1.00 0.00 O ATOM 1408 CB ILE A 95 2.188 9.775 5.126 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.082 8.949 3.842 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.177 10.918 4.945 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.272 9.621 2.756 1.00 0.00 C ATOM 0 H ILE A 95 0.674 8.243 6.791 1.00 0.00 H new ATOM 0 HA ILE A 95 3.524 8.347 6.037 1.00 0.00 H new ATOM 0 HB ILE A 95 1.208 10.199 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.085 8.749 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.631 7.985 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.863 11.541 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.208 11.519 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.169 10.513 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.240 8.979 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.258 9.797 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.734 10.573 2.494 1.00 0.00 H new ATOM 1423 N LYS A 96 4.134 9.783 7.963 1.00 0.00 N ATOM 1424 CA LYS A 96 4.524 10.584 9.117 1.00 0.00 C ATOM 1425 C LYS A 96 3.780 10.132 10.370 1.00 0.00 C ATOM 1426 O LYS A 96 3.257 10.953 11.122 1.00 0.00 O ATOM 1427 CB LYS A 96 4.246 12.066 8.853 1.00 0.00 C ATOM 1428 CG LYS A 96 5.255 12.718 7.924 1.00 0.00 C ATOM 1429 CD LYS A 96 5.141 14.233 7.951 1.00 0.00 C ATOM 1430 CE LYS A 96 3.710 14.688 7.707 1.00 0.00 C ATOM 1431 NZ LYS A 96 3.272 14.415 6.310 1.00 0.00 N ATOM 0 H LYS A 96 4.898 9.258 7.537 1.00 0.00 H new ATOM 0 HA LYS A 96 5.593 10.444 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.250 12.169 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.241 12.601 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.263 12.423 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.099 12.359 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.484 14.608 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.795 14.662 7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.043 14.179 8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.629 15.756 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.346 14.858 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.968 14.808 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.195 13.388 6.165 1.00 0.00 H new ATOM 1445 N GLU A 97 3.739 8.821 10.587 1.00 0.00 N ATOM 1446 CA GLU A 97 3.059 8.261 11.749 1.00 0.00 C ATOM 1447 C GLU A 97 1.573 8.605 11.729 1.00 0.00 C ATOM 1448 O GLU A 97 0.987 8.931 12.761 1.00 0.00 O ATOM 1449 CB GLU A 97 3.697 8.780 13.040 1.00 0.00 C ATOM 1450 CG GLU A 97 5.059 8.174 13.333 1.00 0.00 C ATOM 1451 CD GLU A 97 5.785 8.887 14.456 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.484 10.075 14.699 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.655 8.257 15.094 1.00 0.00 O ATOM 0 H GLU A 97 4.168 8.128 9.974 1.00 0.00 H new ATOM 0 HA GLU A 97 3.163 7.177 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.797 9.863 12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.029 8.571 13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.936 7.123 13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.670 8.209 12.431 1.00 0.00 H new ATOM 1460 N GLN A 98 0.971 8.531 10.546 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.447 8.836 10.391 1.00 0.00 C ATOM 1462 C GLN A 98 -1.062 8.007 9.269 1.00 0.00 C ATOM 1463 O GLN A 98 -0.481 7.873 8.191 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.641 10.326 10.106 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.349 11.217 11.303 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.843 12.637 11.108 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.970 12.970 11.475 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.000 13.483 10.527 1.00 0.00 N ATOM 0 H GLN A 98 1.442 8.263 9.682 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.952 8.583 11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.008 10.617 9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.667 10.495 9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.818 10.792 12.190 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.725 11.232 11.486 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.925 13.164 10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.277 14.452 10.369 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.242 7.452 9.527 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.937 6.636 8.538 1.00 0.00 C ATOM 1479 C HIS A 99 -3.637 7.514 7.505 1.00 0.00 C ATOM 1480 O HIS A 99 -4.232 8.536 7.844 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.955 5.724 9.223 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.214 6.428 9.625 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.428 6.210 9.008 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.444 7.348 10.591 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.350 6.968 9.575 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.779 7.668 10.539 1.00 0.00 N ATOM 0 H HIS A 99 -2.737 7.553 10.413 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.197 6.021 8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.206 4.904 8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.497 5.282 10.108 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.589 5.565 8.235 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.714 7.755 11.275 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.393 7.008 9.298 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.559 7.108 6.241 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.185 7.857 5.158 1.00 0.00 C ATOM 1497 C VAL A 100 -5.584 7.327 4.860 1.00 0.00 C ATOM 1498 O VAL A 100 -6.016 6.332 5.439 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.340 7.796 3.872 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.930 8.301 4.135 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.314 6.379 3.319 1.00 0.00 C ATOM 0 H VAL A 100 -3.069 6.265 5.942 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.255 8.893 5.489 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.798 8.444 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.348 8.250 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.972 9.334 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.458 7.681 4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.713 6.354 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.880 5.707 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.331 6.059 3.090 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.284 8.000 3.953 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.634 7.596 3.578 1.00 0.00 C ATOM 1513 C GLN A 101 -7.667 6.131 3.157 1.00 0.00 C ATOM 1514 O GLN A 101 -6.711 5.620 2.575 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.155 8.477 2.441 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.528 8.066 1.933 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.906 8.764 0.642 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.640 9.954 0.465 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.529 8.027 -0.270 1.00 0.00 N ATOM 0 H GLN A 101 -5.939 8.827 3.465 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.278 7.719 4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.198 9.511 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.446 8.445 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.545 6.987 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.275 8.290 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.730 7.045 -0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.807 8.443 -1.159 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.775 5.459 3.457 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.912 4.058 3.103 1.00 0.00 C ATOM 1530 C GLY A 102 -7.668 3.254 3.427 1.00 0.00 C ATOM 1531 O GLY A 102 -7.185 2.483 2.598 1.00 0.00 O ATOM 0 H GLY A 102 -9.580 5.860 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.764 3.634 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.127 3.975 2.038 1.00 0.00 H new ATOM 1535 N SER A 103 -7.148 3.435 4.637 1.00 0.00 N ATOM 1536 CA SER A 103 -5.949 2.725 5.067 1.00 0.00 C ATOM 1537 C SER A 103 -5.858 2.686 6.590 1.00 0.00 C ATOM 1538 O SER A 103 -6.143 3.665 7.279 1.00 0.00 O ATOM 1539 CB SER A 103 -4.700 3.390 4.487 1.00 0.00 C ATOM 1540 OG SER A 103 -3.592 3.242 5.358 1.00 0.00 O ATOM 0 H SER A 103 -7.538 4.067 5.336 1.00 0.00 H new ATOM 0 HA SER A 103 -6.011 1.701 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.466 2.949 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.894 4.449 4.317 1.00 0.00 H new ATOM 0 HG SER A 103 -3.030 4.043 5.311 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.451 1.527 7.128 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.110 0.354 6.317 1.00 0.00 C ATOM 1548 C PRO A 104 -6.334 -0.270 5.656 1.00 0.00 C ATOM 1549 O PRO A 104 -7.468 0.127 5.926 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.499 -0.614 7.333 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.095 -0.218 8.640 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.293 1.271 8.569 1.00 0.00 C ATOM 0 HA PRO A 104 -4.442 0.608 5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.737 -1.649 7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.412 -0.533 7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.042 -0.730 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.437 -0.485 9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.172 1.587 9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.440 1.810 8.981 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.099 -1.249 4.789 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.183 -1.927 4.089 1.00 0.00 C ATOM 1562 C PHE A 105 -6.899 -3.421 3.965 1.00 0.00 C ATOM 1563 O PHE A 105 -5.766 -3.868 4.144 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.382 -1.317 2.699 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.128 -1.288 1.873 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.668 -2.436 1.247 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.409 -0.113 1.722 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.515 -2.412 0.485 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.256 -0.084 0.961 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.808 -1.235 0.343 1.00 0.00 C ATOM 0 H PHE A 105 -5.167 -1.591 4.554 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.096 -1.795 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.145 -1.885 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.760 -0.300 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.217 -3.360 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.754 0.790 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.168 -3.313 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.705 0.838 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.906 -1.214 -0.250 1.00 0.00 H new ATOM 1580 N THR A 106 -7.939 -4.192 3.657 1.00 0.00 N ATOM 1581 CA THR A 106 -7.803 -5.635 3.510 1.00 0.00 C ATOM 1582 C THR A 106 -7.469 -6.013 2.072 1.00 0.00 C ATOM 1583 O THR A 106 -7.786 -5.278 1.137 1.00 0.00 O ATOM 1584 CB THR A 106 -9.091 -6.366 3.935 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.698 -5.687 5.040 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.793 -7.807 4.321 1.00 0.00 C ATOM 0 H THR A 106 -8.884 -3.840 3.505 1.00 0.00 H new ATOM 0 HA THR A 106 -6.986 -5.943 4.162 1.00 0.00 H new ATOM 0 HB THR A 106 -9.778 -6.368 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.517 -6.157 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.717 -8.303 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.358 -8.329 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.090 -7.823 5.154 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.827 -7.164 1.901 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.451 -7.641 0.576 1.00 0.00 C ATOM 1596 C VAL A 107 -6.500 -9.163 0.505 1.00 0.00 C ATOM 1597 O VAL A 107 -6.046 -9.854 1.418 1.00 0.00 O ATOM 1598 CB VAL A 107 -5.038 -7.165 0.188 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.492 -7.995 -0.964 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -5.053 -5.687 -0.170 1.00 0.00 C ATOM 0 H VAL A 107 -6.556 -7.784 2.664 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.173 -7.224 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.380 -7.301 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.493 -7.644 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.443 -9.042 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.148 -7.894 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.047 -5.368 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.725 -5.523 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.398 -5.109 0.687 1.00 0.00 H new ATOM 1610 N THR A 108 -7.054 -9.681 -0.587 1.00 0.00 N ATOM 1611 CA THR A 108 -7.164 -11.122 -0.778 1.00 0.00 C ATOM 1612 C THR A 108 -6.089 -11.634 -1.731 1.00 0.00 C ATOM 1613 O THR A 108 -5.907 -11.096 -2.823 1.00 0.00 O ATOM 1614 CB THR A 108 -8.549 -11.512 -1.328 1.00 0.00 C ATOM 1615 OG1 THR A 108 -8.851 -12.867 -0.977 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.596 -11.352 -2.840 1.00 0.00 C ATOM 0 H THR A 108 -7.433 -9.124 -1.353 1.00 0.00 H new ATOM 0 HA THR A 108 -7.027 -11.582 0.201 1.00 0.00 H new ATOM 0 HB THR A 108 -9.291 -10.848 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.734 -13.107 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.584 -11.633 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.394 -10.313 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.844 -11.994 -3.297 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.381 -12.677 -1.311 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.325 -13.263 -2.129 1.00 0.00 C ATOM 1626 C VAL A 109 -4.740 -14.627 -2.667 1.00 0.00 C ATOM 1627 O VAL A 109 -4.698 -15.628 -1.951 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.016 -13.415 -1.331 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -1.940 -14.064 -2.188 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.551 -12.064 -0.809 1.00 0.00 C ATOM 0 H VAL A 109 -5.519 -13.134 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.156 -12.582 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.205 -14.064 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.023 -14.163 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.275 -15.051 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.750 -13.444 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.625 -12.190 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.378 -11.390 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.316 -11.643 -0.157 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.141 -14.660 -3.934 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.565 -15.902 -4.569 1.00 0.00 C ATOM 1642 C ARG A 110 -4.381 -16.845 -4.764 1.00 0.00 C ATOM 1643 O ARG A 110 -3.237 -16.486 -4.484 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.226 -15.610 -5.918 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.406 -14.657 -5.824 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.360 -14.834 -6.995 1.00 0.00 C ATOM 1647 NE ARG A 110 -7.762 -14.410 -8.258 1.00 0.00 N ATOM 1648 CZ ARG A 110 -8.221 -14.778 -9.449 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -9.278 -15.573 -9.538 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -7.622 -14.351 -10.553 1.00 0.00 N ATOM 0 H ARG A 110 -5.181 -13.841 -4.541 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.289 -16.387 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.482 -15.188 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.562 -16.548 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.940 -14.828 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.044 -13.629 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.655 -15.881 -7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.268 -14.259 -6.813 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.947 -13.798 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.740 -15.903 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.629 -15.854 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.808 -13.740 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.975 -14.634 -11.467 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.665 -18.051 -5.245 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.624 -19.045 -5.475 1.00 0.00 C ATOM 1666 C ARG A 111 -3.426 -19.288 -6.969 1.00 0.00 C ATOM 1667 O ARG A 111 -4.274 -19.888 -7.629 1.00 0.00 O ATOM 1668 CB ARG A 111 -3.980 -20.359 -4.777 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.258 -20.998 -5.296 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.901 -21.890 -4.246 1.00 0.00 C ATOM 1671 NE ARG A 111 -6.832 -21.151 -3.397 1.00 0.00 N ATOM 1672 CZ ARG A 111 -8.075 -20.851 -3.756 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -8.535 -21.226 -4.942 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -8.862 -20.176 -2.927 1.00 0.00 N ATOM 0 H ARG A 111 -5.607 -18.363 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.692 -18.662 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.156 -21.062 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.084 -20.176 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.961 -20.219 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.037 -21.585 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.429 -22.707 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -5.124 -22.340 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.510 -20.849 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.934 -21.746 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.490 -20.994 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.512 -19.887 -2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.816 -19.946 -3.204 1.00 0.00 H new ATOM 1688 N LYS A 112 -2.299 -18.819 -7.495 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.988 -18.985 -8.909 1.00 0.00 C ATOM 1690 C LYS A 112 -2.392 -20.373 -9.396 1.00 0.00 C ATOM 1691 O LYS A 112 -2.552 -21.299 -8.600 1.00 0.00 O ATOM 1692 CB LYS A 112 -0.494 -18.762 -9.153 1.00 0.00 C ATOM 1693 CG LYS A 112 -0.177 -18.217 -10.535 1.00 0.00 C ATOM 1694 CD LYS A 112 1.041 -17.309 -10.511 1.00 0.00 C ATOM 1695 CE LYS A 112 0.650 -15.858 -10.277 1.00 0.00 C ATOM 1696 NZ LYS A 112 1.636 -14.915 -10.874 1.00 0.00 N ATOM 0 H LYS A 112 -1.586 -18.321 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.556 -18.243 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.111 -18.070 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.033 -19.706 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.001 -19.045 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.036 -17.664 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.723 -17.634 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.578 -17.394 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.335 -15.673 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.571 -15.671 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.976 -14.259 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.440 -15.451 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.182 -14.376 -11.638 1.00 0.00 H new ATOM 1710 N HIS A 113 -2.553 -20.512 -10.708 1.00 0.00 N ATOM 1711 CA HIS A 113 -2.936 -21.788 -11.301 1.00 0.00 C ATOM 1712 C HIS A 113 -2.080 -22.923 -10.747 1.00 0.00 C ATOM 1713 O HIS A 113 -1.038 -22.685 -10.135 1.00 0.00 O ATOM 1714 CB HIS A 113 -2.802 -21.729 -12.823 1.00 0.00 C ATOM 1715 CG HIS A 113 -3.365 -22.928 -13.521 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -4.691 -23.032 -13.887 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -2.775 -24.077 -13.923 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -4.891 -24.194 -14.481 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -3.744 -24.848 -14.516 1.00 0.00 N ATOM 0 H HIS A 113 -2.424 -19.756 -11.381 1.00 0.00 H new ATOM 0 HA HIS A 113 -3.977 -21.982 -11.043 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -3.307 -20.835 -13.189 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -1.748 -21.629 -13.083 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -1.735 -24.339 -13.800 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.833 -24.550 -14.872 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.601 -25.775 -14.918 1.00 0.00 H new TER 1728 HIS A 113