USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HD1:sc= 0 X(o=0,f=0.034) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot 130:sc= 0.563 USER MOD Set 2.2: A 36 ASN : amide:sc= -4.16! C(o=-3.6!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.076 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 54:sc= 0.157 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -59:sc= 1.86 USER MOD Single : A 26 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 28 CYS SG : rot 23:sc= 0.716 USER MOD Single : A 37 SER OG : rot 180:sc= -1.11 USER MOD Single : A 38 ASN : amide:sc= -4.08 K(o=-4.1,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ 128:sc= 0.8 (180deg=-0.834!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.69) USER MOD Single : A 47 SER OG : rot -61:sc= 1.06 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -5.73! C(o=-5.7!,f=-7.5!) USER MOD Single : A 52 CYS SG : rot 69:sc= 0.561 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.5) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -126:sc= 0.236 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 84 HIS : no HD1:sc= -0.13 K(o=-0.13,f=-0.71) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 63:sc= 0.00781 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.730 -17.718 17.018 1.00 0.00 N ATOM 2 CA GLY A 1 -12.940 -17.978 15.827 1.00 0.00 C ATOM 3 C GLY A 1 -12.401 -16.676 15.231 1.00 0.00 C ATOM 4 O GLY A 1 -12.912 -15.597 15.525 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.190 -17.998 17.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.954 -16.704 17.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.613 -18.265 16.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.110 -18.640 16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.551 -18.495 15.087 1.00 0.00 H new ATOM 8 N SER A 2 -11.376 -16.821 14.403 1.00 0.00 N ATOM 9 CA SER A 2 -10.763 -15.670 13.763 1.00 0.00 C ATOM 10 C SER A 2 -11.712 -15.086 12.715 1.00 0.00 C ATOM 11 O SER A 2 -12.267 -15.820 11.898 1.00 0.00 O ATOM 12 CB SER A 2 -9.427 -16.044 13.119 1.00 0.00 C ATOM 13 OG SER A 2 -8.345 -15.289 13.656 1.00 0.00 O ATOM 0 H SER A 2 -10.955 -17.718 14.161 1.00 0.00 H new ATOM 0 HA SER A 2 -10.569 -14.918 14.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.237 -17.107 13.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.485 -15.880 12.043 1.00 0.00 H new ATOM 0 HG SER A 2 -7.510 -15.559 13.220 1.00 0.00 H new ATOM 19 N SER A 3 -11.870 -13.772 12.772 1.00 0.00 N ATOM 20 CA SER A 3 -12.743 -13.082 11.838 1.00 0.00 C ATOM 21 C SER A 3 -12.553 -11.569 11.964 1.00 0.00 C ATOM 22 O SER A 3 -12.021 -11.088 12.964 1.00 0.00 O ATOM 23 CB SER A 3 -14.208 -13.454 12.074 1.00 0.00 C ATOM 24 OG SER A 3 -14.783 -12.706 13.142 1.00 0.00 O ATOM 0 H SER A 3 -11.408 -13.167 13.451 1.00 0.00 H new ATOM 0 HA SER A 3 -12.476 -13.393 10.828 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.778 -13.280 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.280 -14.519 12.297 1.00 0.00 H new ATOM 0 HG SER A 3 -15.719 -12.971 13.260 1.00 0.00 H new ATOM 30 N GLY A 4 -12.997 -10.861 10.936 1.00 0.00 N ATOM 31 CA GLY A 4 -12.883 -9.412 10.920 1.00 0.00 C ATOM 32 C GLY A 4 -13.588 -8.820 9.697 1.00 0.00 C ATOM 33 O GLY A 4 -12.974 -8.651 8.645 1.00 0.00 O ATOM 0 H GLY A 4 -13.436 -11.263 10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.318 -8.999 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.831 -9.126 10.912 1.00 0.00 H new ATOM 37 N SER A 5 -14.866 -8.522 9.878 1.00 0.00 N ATOM 38 CA SER A 5 -15.660 -7.953 8.803 1.00 0.00 C ATOM 39 C SER A 5 -17.020 -7.502 9.339 1.00 0.00 C ATOM 40 O SER A 5 -18.027 -8.178 9.136 1.00 0.00 O ATOM 41 CB SER A 5 -15.846 -8.957 7.664 1.00 0.00 C ATOM 42 OG SER A 5 -16.294 -10.224 8.137 1.00 0.00 O ATOM 0 H SER A 5 -15.371 -8.664 10.753 1.00 0.00 H new ATOM 0 HA SER A 5 -15.128 -7.089 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.566 -8.562 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.902 -9.081 7.133 1.00 0.00 H new ATOM 0 HG SER A 5 -17.099 -10.103 8.683 1.00 0.00 H new ATOM 48 N SER A 6 -17.006 -6.362 10.015 1.00 0.00 N ATOM 49 CA SER A 6 -18.226 -5.813 10.582 1.00 0.00 C ATOM 50 C SER A 6 -18.555 -4.475 9.918 1.00 0.00 C ATOM 51 O SER A 6 -19.628 -4.313 9.339 1.00 0.00 O ATOM 52 CB SER A 6 -18.098 -5.637 12.097 1.00 0.00 C ATOM 53 OG SER A 6 -19.287 -5.105 12.674 1.00 0.00 O ATOM 0 H SER A 6 -16.169 -5.804 10.183 1.00 0.00 H new ATOM 0 HA SER A 6 -19.038 -6.515 10.392 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.871 -6.599 12.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.261 -4.974 12.316 1.00 0.00 H new ATOM 0 HG SER A 6 -19.166 -5.009 13.642 1.00 0.00 H new ATOM 59 N GLY A 7 -17.613 -3.549 10.025 1.00 0.00 N ATOM 60 CA GLY A 7 -17.790 -2.230 9.442 1.00 0.00 C ATOM 61 C GLY A 7 -16.967 -1.183 10.195 1.00 0.00 C ATOM 62 O GLY A 7 -17.331 -0.777 11.297 1.00 0.00 O ATOM 0 H GLY A 7 -16.725 -3.686 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.490 -2.248 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.845 -1.956 9.467 1.00 0.00 H new ATOM 66 N VAL A 8 -15.872 -0.776 9.569 1.00 0.00 N ATOM 67 CA VAL A 8 -14.994 0.216 10.166 1.00 0.00 C ATOM 68 C VAL A 8 -15.803 1.469 10.504 1.00 0.00 C ATOM 69 O VAL A 8 -15.703 1.998 11.610 1.00 0.00 O ATOM 70 CB VAL A 8 -13.814 0.499 9.234 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.293 1.102 7.912 1.00 0.00 C ATOM 72 CG2 VAL A 8 -12.786 1.408 9.911 1.00 0.00 C ATOM 0 H VAL A 8 -15.573 -1.115 8.655 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.572 -0.159 11.098 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.326 -0.450 9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.435 1.294 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.969 0.405 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.816 2.038 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.958 1.593 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.256 2.355 10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.411 0.924 10.813 1.00 0.00 H new ATOM 82 N SER A 9 -16.587 1.909 9.531 1.00 0.00 N ATOM 83 CA SER A 9 -17.413 3.091 9.711 1.00 0.00 C ATOM 84 C SER A 9 -16.565 4.244 10.251 1.00 0.00 C ATOM 85 O SER A 9 -16.346 4.347 11.457 1.00 0.00 O ATOM 86 CB SER A 9 -18.584 2.806 10.654 1.00 0.00 C ATOM 87 OG SER A 9 -19.814 2.663 9.949 1.00 0.00 O ATOM 0 H SER A 9 -16.668 1.468 8.615 1.00 0.00 H new ATOM 0 HA SER A 9 -17.823 3.373 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.382 1.896 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.673 3.617 11.377 1.00 0.00 H new ATOM 0 HG SER A 9 -20.537 2.480 10.585 1.00 0.00 H new ATOM 93 N GLY A 10 -16.112 5.084 9.332 1.00 0.00 N ATOM 94 CA GLY A 10 -15.293 6.226 9.701 1.00 0.00 C ATOM 95 C GLY A 10 -14.035 6.302 8.833 1.00 0.00 C ATOM 96 O GLY A 10 -13.882 7.226 8.035 1.00 0.00 O ATOM 0 H GLY A 10 -16.297 4.997 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.871 7.143 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.011 6.151 10.751 1.00 0.00 H new ATOM 100 N ARG A 11 -13.167 5.319 9.018 1.00 0.00 N ATOM 101 CA ARG A 11 -11.928 5.263 8.262 1.00 0.00 C ATOM 102 C ARG A 11 -11.116 6.542 8.477 1.00 0.00 C ATOM 103 O ARG A 11 -11.363 7.555 7.824 1.00 0.00 O ATOM 104 CB ARG A 11 -12.202 5.086 6.767 1.00 0.00 C ATOM 105 CG ARG A 11 -11.188 4.132 6.133 1.00 0.00 C ATOM 106 CD ARG A 11 -9.895 4.866 5.771 1.00 0.00 C ATOM 107 NE ARG A 11 -9.676 4.814 4.308 1.00 0.00 N ATOM 108 CZ ARG A 11 -8.685 5.455 3.674 1.00 0.00 C ATOM 109 NH1 ARG A 11 -7.817 6.202 4.370 1.00 0.00 N ATOM 110 NH2 ARG A 11 -8.563 5.350 2.344 1.00 0.00 N ATOM 0 H ARG A 11 -13.297 4.555 9.681 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.360 4.404 8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.211 4.699 6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.157 6.054 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.967 3.319 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.617 3.682 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.951 5.903 6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.051 4.411 6.290 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.320 4.255 3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.911 6.283 5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.063 6.690 3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.224 4.782 1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.809 5.838 1.861 1.00 0.00 H new ATOM 124 N GLU A 12 -10.165 6.454 9.395 1.00 0.00 N ATOM 125 CA GLU A 12 -9.316 7.592 9.704 1.00 0.00 C ATOM 126 C GLU A 12 -8.042 7.127 10.413 1.00 0.00 C ATOM 127 O GLU A 12 -8.037 6.087 11.069 1.00 0.00 O ATOM 128 CB GLU A 12 -10.068 8.624 10.548 1.00 0.00 C ATOM 129 CG GLU A 12 -10.316 8.098 11.963 1.00 0.00 C ATOM 130 CD GLU A 12 -11.813 8.069 12.282 1.00 0.00 C ATOM 131 OE1 GLU A 12 -12.349 9.156 12.589 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.386 6.961 12.212 1.00 0.00 O ATOM 0 H GLU A 12 -9.964 5.612 9.935 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.032 8.074 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.493 9.549 10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.019 8.864 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.900 7.095 12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.799 8.729 12.686 1.00 0.00 H new ATOM 139 N PRO A 13 -6.965 7.942 10.252 1.00 0.00 N ATOM 140 CA PRO A 13 -5.688 7.625 10.869 1.00 0.00 C ATOM 141 C PRO A 13 -5.721 7.906 12.372 1.00 0.00 C ATOM 142 O PRO A 13 -6.372 8.850 12.817 1.00 0.00 O ATOM 143 CB PRO A 13 -4.671 8.476 10.127 1.00 0.00 C ATOM 144 CG PRO A 13 -5.467 9.576 9.443 1.00 0.00 C ATOM 145 CD PRO A 13 -6.935 9.182 9.482 1.00 0.00 C ATOM 0 HA PRO A 13 -5.434 6.568 10.792 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.937 8.895 10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.121 7.881 9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.314 10.529 9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.133 9.705 8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.540 9.956 9.954 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.332 9.034 8.478 1.00 0.00 H new ATOM 153 N SER A 14 -5.010 7.069 13.114 1.00 0.00 N ATOM 154 CA SER A 14 -4.949 7.216 14.558 1.00 0.00 C ATOM 155 C SER A 14 -3.560 6.824 15.066 1.00 0.00 C ATOM 156 O SER A 14 -2.900 7.607 15.747 1.00 0.00 O ATOM 157 CB SER A 14 -6.023 6.369 15.244 1.00 0.00 C ATOM 158 OG SER A 14 -6.090 6.624 16.644 1.00 0.00 O ATOM 0 H SER A 14 -4.471 6.287 12.742 1.00 0.00 H new ATOM 0 HA SER A 14 -5.137 8.261 14.803 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.992 6.576 14.791 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.813 5.313 15.078 1.00 0.00 H new ATOM 0 HG SER A 14 -6.788 6.066 17.045 1.00 0.00 H new ATOM 164 N SER A 15 -3.157 5.611 14.714 1.00 0.00 N ATOM 165 CA SER A 15 -1.859 5.105 15.126 1.00 0.00 C ATOM 166 C SER A 15 -0.752 6.041 14.633 1.00 0.00 C ATOM 167 O SER A 15 -1.010 6.955 13.851 1.00 0.00 O ATOM 168 CB SER A 15 -1.628 3.687 14.600 1.00 0.00 C ATOM 169 OG SER A 15 -2.823 2.912 14.614 1.00 0.00 O ATOM 0 H SER A 15 -3.707 4.965 14.148 1.00 0.00 H new ATOM 0 HA SER A 15 -1.837 5.067 16.215 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.240 3.736 13.583 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.869 3.194 15.207 1.00 0.00 H new ATOM 0 HG SER A 15 -2.950 2.491 13.738 1.00 0.00 H new ATOM 175 N ARG A 16 0.456 5.779 15.110 1.00 0.00 N ATOM 176 CA ARG A 16 1.602 6.586 14.727 1.00 0.00 C ATOM 177 C ARG A 16 1.901 6.410 13.237 1.00 0.00 C ATOM 178 O ARG A 16 2.253 5.318 12.796 1.00 0.00 O ATOM 179 CB ARG A 16 2.841 6.202 15.538 1.00 0.00 C ATOM 180 CG ARG A 16 3.188 7.288 16.558 1.00 0.00 C ATOM 181 CD ARG A 16 4.619 7.791 16.359 1.00 0.00 C ATOM 182 NE ARG A 16 4.658 9.266 16.479 1.00 0.00 N ATOM 183 CZ ARG A 16 5.759 10.006 16.291 1.00 0.00 C ATOM 184 NH1 ARG A 16 6.918 9.413 15.973 1.00 0.00 N ATOM 185 NH2 ARG A 16 5.701 11.338 16.422 1.00 0.00 N ATOM 0 H ARG A 16 0.666 5.020 15.758 1.00 0.00 H new ATOM 0 HA ARG A 16 1.357 7.628 14.931 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.664 5.258 16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.685 6.046 14.867 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.490 8.119 16.461 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.075 6.893 17.568 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.278 7.340 17.101 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.987 7.488 15.379 1.00 0.00 H new ATOM 0 HE ARG A 16 3.793 9.749 16.720 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.962 8.399 15.874 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.756 9.976 15.830 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.819 11.789 16.665 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.539 11.901 16.279 1.00 0.00 H new ATOM 199 N ILE A 17 1.750 7.503 12.503 1.00 0.00 N ATOM 200 CA ILE A 17 2.000 7.483 11.072 1.00 0.00 C ATOM 201 C ILE A 17 3.509 7.501 10.821 1.00 0.00 C ATOM 202 O ILE A 17 4.278 7.948 11.671 1.00 0.00 O ATOM 203 CB ILE A 17 1.249 8.623 10.381 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.203 8.694 10.861 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.344 8.500 8.859 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.060 7.632 10.169 1.00 0.00 C ATOM 0 H ILE A 17 1.458 8.408 12.873 1.00 0.00 H new ATOM 0 HA ILE A 17 1.614 6.564 10.631 1.00 0.00 H new ATOM 0 HB ILE A 17 1.726 9.563 10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.241 8.550 11.941 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.610 9.685 10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.802 9.323 8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.390 8.537 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.908 7.553 8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.087 7.703 10.527 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.039 7.794 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.665 6.642 10.395 1.00 0.00 H new ATOM 218 N ILE A 18 3.888 7.008 9.651 1.00 0.00 N ATOM 219 CA ILE A 18 5.292 6.962 9.278 1.00 0.00 C ATOM 220 C ILE A 18 5.447 7.435 7.832 1.00 0.00 C ATOM 221 O ILE A 18 4.468 7.509 7.091 1.00 0.00 O ATOM 222 CB ILE A 18 5.868 5.567 9.534 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.003 4.488 8.881 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.060 5.320 11.032 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.760 3.162 8.784 1.00 0.00 C ATOM 0 H ILE A 18 3.248 6.637 8.949 1.00 0.00 H new ATOM 0 HA ILE A 18 5.874 7.642 9.900 1.00 0.00 H new ATOM 0 HB ILE A 18 6.853 5.513 9.070 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.091 4.348 9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.701 4.812 7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.470 4.322 11.187 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.748 6.062 11.438 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.099 5.400 11.540 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.122 2.412 8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.659 3.299 8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.039 2.828 9.783 1.00 0.00 H new ATOM 237 N ARG A 19 6.685 7.744 7.473 1.00 0.00 N ATOM 238 CA ARG A 19 6.980 8.208 6.129 1.00 0.00 C ATOM 239 C ARG A 19 7.534 7.061 5.281 1.00 0.00 C ATOM 240 O ARG A 19 8.701 6.695 5.411 1.00 0.00 O ATOM 241 CB ARG A 19 7.996 9.352 6.152 1.00 0.00 C ATOM 242 CG ARG A 19 8.376 9.777 4.732 1.00 0.00 C ATOM 243 CD ARG A 19 9.465 10.852 4.754 1.00 0.00 C ATOM 244 NE ARG A 19 10.789 10.235 4.515 1.00 0.00 N ATOM 245 CZ ARG A 19 11.956 10.836 4.783 1.00 0.00 C ATOM 246 NH1 ARG A 19 11.971 12.072 5.300 1.00 0.00 N ATOM 247 NH2 ARG A 19 13.110 10.201 4.534 1.00 0.00 N ATOM 0 H ARG A 19 7.495 7.682 8.090 1.00 0.00 H new ATOM 0 HA ARG A 19 6.050 8.571 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.579 10.203 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.889 9.039 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.726 8.911 4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.495 10.157 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.262 11.603 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.462 11.365 5.716 1.00 0.00 H new ATOM 0 HE ARG A 19 10.814 9.294 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.093 12.556 5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.860 12.529 5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.100 9.260 4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.998 10.659 4.738 1.00 0.00 H new ATOM 261 N VAL A 20 6.669 6.526 4.431 1.00 0.00 N ATOM 262 CA VAL A 20 7.057 5.428 3.561 1.00 0.00 C ATOM 263 C VAL A 20 7.176 5.939 2.124 1.00 0.00 C ATOM 264 O VAL A 20 6.209 6.449 1.560 1.00 0.00 O ATOM 265 CB VAL A 20 6.065 4.272 3.705 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.488 3.078 2.847 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.905 3.865 5.171 1.00 0.00 C ATOM 0 H VAL A 20 5.702 6.832 4.326 1.00 0.00 H new ATOM 0 HA VAL A 20 8.034 5.039 3.849 1.00 0.00 H new ATOM 0 HB VAL A 20 5.095 4.616 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.767 2.270 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.526 3.378 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.473 2.734 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.195 3.042 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.870 3.549 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.537 4.714 5.746 1.00 0.00 H new ATOM 277 N SER A 21 8.371 5.784 1.572 1.00 0.00 N ATOM 278 CA SER A 21 8.629 6.223 0.211 1.00 0.00 C ATOM 279 C SER A 21 8.076 5.200 -0.783 1.00 0.00 C ATOM 280 O SER A 21 8.616 4.103 -0.915 1.00 0.00 O ATOM 281 CB SER A 21 10.126 6.437 -0.024 1.00 0.00 C ATOM 282 OG SER A 21 10.624 7.563 0.694 1.00 0.00 O ATOM 0 H SER A 21 9.171 5.361 2.043 1.00 0.00 H new ATOM 0 HA SER A 21 8.125 7.177 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.672 5.544 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.309 6.576 -1.089 1.00 0.00 H new ATOM 0 HG SER A 21 11.583 7.665 0.519 1.00 0.00 H new ATOM 288 N VAL A 22 7.006 5.596 -1.457 1.00 0.00 N ATOM 289 CA VAL A 22 6.374 4.727 -2.434 1.00 0.00 C ATOM 290 C VAL A 22 7.046 4.924 -3.795 1.00 0.00 C ATOM 291 O VAL A 22 7.061 6.032 -4.329 1.00 0.00 O ATOM 292 CB VAL A 22 4.866 4.986 -2.469 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.217 4.290 -3.666 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.206 4.554 -1.158 1.00 0.00 C ATOM 0 H VAL A 22 6.561 6.507 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 22 6.504 3.681 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 22 4.713 6.059 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.146 4.491 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.657 4.667 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.385 3.215 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.135 4.749 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.374 3.489 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.638 5.116 -0.330 1.00 0.00 H new ATOM 304 N LYS A 23 7.585 3.832 -4.317 1.00 0.00 N ATOM 305 CA LYS A 23 8.256 3.871 -5.605 1.00 0.00 C ATOM 306 C LYS A 23 7.376 3.189 -6.654 1.00 0.00 C ATOM 307 O LYS A 23 7.094 1.996 -6.554 1.00 0.00 O ATOM 308 CB LYS A 23 9.660 3.271 -5.495 1.00 0.00 C ATOM 309 CG LYS A 23 10.664 4.071 -6.327 1.00 0.00 C ATOM 310 CD LYS A 23 11.077 5.354 -5.603 1.00 0.00 C ATOM 311 CE LYS A 23 12.598 5.522 -5.609 1.00 0.00 C ATOM 312 NZ LYS A 23 13.016 6.490 -4.571 1.00 0.00 N ATOM 0 H LYS A 23 7.571 2.915 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 23 8.399 4.902 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.974 3.260 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.644 2.235 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.545 3.461 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.225 4.320 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.611 6.214 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.714 5.329 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.077 4.559 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.928 5.866 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.051 6.592 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.574 7.412 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.718 6.146 -3.636 1.00 0.00 H new ATOM 326 N THR A 24 6.967 3.977 -7.638 1.00 0.00 N ATOM 327 CA THR A 24 6.125 3.464 -8.706 1.00 0.00 C ATOM 328 C THR A 24 6.901 3.420 -10.023 1.00 0.00 C ATOM 329 O THR A 24 7.946 4.056 -10.154 1.00 0.00 O ATOM 330 CB THR A 24 4.865 4.331 -8.771 1.00 0.00 C ATOM 331 OG1 THR A 24 5.261 5.461 -9.543 1.00 0.00 O ATOM 332 CG2 THR A 24 4.489 4.922 -7.411 1.00 0.00 C ATOM 0 H THR A 24 7.203 4.966 -7.718 1.00 0.00 H new ATOM 0 HA THR A 24 5.821 2.436 -8.511 1.00 0.00 H new ATOM 0 HB THR A 24 4.034 3.735 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.010 5.912 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.589 5.528 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.304 4.115 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.306 5.545 -7.047 1.00 0.00 H new ATOM 340 N PRO A 25 6.346 2.643 -10.991 1.00 0.00 N ATOM 341 CA PRO A 25 6.975 2.508 -12.294 1.00 0.00 C ATOM 342 C PRO A 25 6.767 3.767 -13.137 1.00 0.00 C ATOM 343 O PRO A 25 7.197 3.827 -14.288 1.00 0.00 O ATOM 344 CB PRO A 25 6.343 1.270 -12.910 1.00 0.00 C ATOM 345 CG PRO A 25 5.060 1.027 -12.133 1.00 0.00 C ATOM 346 CD PRO A 25 5.110 1.876 -10.872 1.00 0.00 C ATOM 0 HA PRO A 25 8.057 2.396 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.135 1.423 -13.969 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.012 0.413 -12.837 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.192 1.292 -12.737 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.962 -0.028 -11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.242 2.532 -10.801 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.114 1.255 -9.976 1.00 0.00 H new ATOM 354 N GLN A 26 6.107 4.744 -12.532 1.00 0.00 N ATOM 355 CA GLN A 26 5.836 5.999 -13.212 1.00 0.00 C ATOM 356 C GLN A 26 6.652 7.130 -12.584 1.00 0.00 C ATOM 357 O GLN A 26 7.390 7.827 -13.278 1.00 0.00 O ATOM 358 CB GLN A 26 4.341 6.323 -13.190 1.00 0.00 C ATOM 359 CG GLN A 26 3.524 5.187 -13.810 1.00 0.00 C ATOM 360 CD GLN A 26 2.155 5.687 -14.276 1.00 0.00 C ATOM 361 OE1 GLN A 26 1.956 6.857 -14.560 1.00 0.00 O ATOM 362 NE2 GLN A 26 1.225 4.739 -14.337 1.00 0.00 N ATOM 0 H GLN A 26 5.752 4.691 -11.577 1.00 0.00 H new ATOM 0 HA GLN A 26 6.136 5.897 -14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.017 6.490 -12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.158 7.248 -13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.067 4.763 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.394 4.388 -13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.459 3.779 -14.085 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.278 4.972 -14.636 1.00 0.00 H new ATOM 371 N ASP A 27 6.490 7.278 -11.277 1.00 0.00 N ATOM 372 CA ASP A 27 7.203 8.313 -10.547 1.00 0.00 C ATOM 373 C ASP A 27 7.447 7.842 -9.112 1.00 0.00 C ATOM 374 O ASP A 27 7.147 6.700 -8.770 1.00 0.00 O ATOM 375 CB ASP A 27 6.388 9.606 -10.489 1.00 0.00 C ATOM 376 CG ASP A 27 4.875 9.424 -10.634 1.00 0.00 C ATOM 377 OD1 ASP A 27 4.333 8.573 -9.896 1.00 0.00 O ATOM 378 OD2 ASP A 27 4.296 10.141 -11.478 1.00 0.00 O ATOM 0 H ASP A 27 5.876 6.699 -10.705 1.00 0.00 H new ATOM 0 HA ASP A 27 8.144 8.503 -11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.590 10.103 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.736 10.273 -11.278 1.00 0.00 H new ATOM 383 N CYS A 28 7.989 8.748 -8.311 1.00 0.00 N ATOM 384 CA CYS A 28 8.277 8.440 -6.920 1.00 0.00 C ATOM 385 C CYS A 28 7.394 9.326 -6.039 1.00 0.00 C ATOM 386 O CYS A 28 7.375 10.545 -6.201 1.00 0.00 O ATOM 387 CB CYS A 28 9.763 8.615 -6.598 1.00 0.00 C ATOM 388 SG CYS A 28 10.219 10.385 -6.688 1.00 0.00 S ATOM 0 H CYS A 28 8.236 9.695 -8.598 1.00 0.00 H new ATOM 0 HA CYS A 28 8.051 7.392 -6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.976 8.226 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.366 8.040 -7.300 1.00 0.00 H new ATOM 0 HG CYS A 28 9.158 11.116 -6.513 1.00 0.00 H new ATOM 394 N HIS A 29 6.685 8.679 -5.127 1.00 0.00 N ATOM 395 CA HIS A 29 5.802 9.393 -4.220 1.00 0.00 C ATOM 396 C HIS A 29 5.942 8.818 -2.809 1.00 0.00 C ATOM 397 O HIS A 29 6.239 7.636 -2.643 1.00 0.00 O ATOM 398 CB HIS A 29 4.360 9.365 -4.731 1.00 0.00 C ATOM 399 CG HIS A 29 3.782 10.731 -5.012 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.680 11.254 -6.289 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.275 11.675 -4.168 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.136 12.459 -6.206 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.886 12.718 -4.890 1.00 0.00 N ATOM 0 H HIS A 29 6.704 7.668 -4.996 1.00 0.00 H new ATOM 0 HA HIS A 29 6.091 10.443 -4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.320 8.770 -5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.734 8.861 -3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.202 11.588 -3.094 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.927 13.120 -7.034 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.469 13.573 -4.522 1.00 0.00 H new ATOM 411 N GLU A 30 5.722 9.682 -1.828 1.00 0.00 N ATOM 412 CA GLU A 30 5.820 9.275 -0.437 1.00 0.00 C ATOM 413 C GLU A 30 4.435 9.276 0.215 1.00 0.00 C ATOM 414 O GLU A 30 3.679 10.236 0.073 1.00 0.00 O ATOM 415 CB GLU A 30 6.788 10.177 0.331 1.00 0.00 C ATOM 416 CG GLU A 30 6.194 11.572 0.534 1.00 0.00 C ATOM 417 CD GLU A 30 7.282 12.646 0.471 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.998 12.668 -0.553 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.372 13.421 1.447 1.00 0.00 O ATOM 0 H GLU A 30 5.476 10.662 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 30 6.216 8.260 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.016 9.731 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.729 10.254 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.442 11.766 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.687 11.619 1.498 1.00 0.00 H new ATOM 426 N PHE A 31 4.146 8.190 0.915 1.00 0.00 N ATOM 427 CA PHE A 31 2.866 8.053 1.590 1.00 0.00 C ATOM 428 C PHE A 31 3.048 7.999 3.108 1.00 0.00 C ATOM 429 O PHE A 31 4.060 7.499 3.598 1.00 0.00 O ATOM 430 CB PHE A 31 2.249 6.736 1.115 1.00 0.00 C ATOM 431 CG PHE A 31 1.612 6.811 -0.274 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.397 6.963 -1.374 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.261 6.726 -0.409 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.806 7.033 -2.664 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.329 6.796 -1.698 1.00 0.00 C ATOM 436 CZ PHE A 31 0.456 6.948 -2.798 1.00 0.00 C ATOM 0 H PHE A 31 4.776 7.396 1.030 1.00 0.00 H new ATOM 0 HA PHE A 31 2.230 8.908 1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.021 5.967 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.492 6.421 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.470 7.030 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.363 6.605 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.429 7.154 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.402 6.729 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.007 7.001 -3.779 1.00 0.00 H new ATOM 446 N PHE A 32 2.054 8.522 3.810 1.00 0.00 N ATOM 447 CA PHE A 32 2.092 8.540 5.263 1.00 0.00 C ATOM 448 C PHE A 32 0.836 7.896 5.852 1.00 0.00 C ATOM 449 O PHE A 32 -0.232 8.507 5.865 1.00 0.00 O ATOM 450 CB PHE A 32 2.147 10.008 5.690 1.00 0.00 C ATOM 451 CG PHE A 32 3.553 10.612 5.664 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.145 10.905 4.475 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.210 10.856 6.829 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.449 11.465 4.451 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.515 11.416 6.805 1.00 0.00 C ATOM 456 CZ PHE A 32 6.107 11.709 5.616 1.00 0.00 C ATOM 0 H PHE A 32 1.217 8.937 3.400 1.00 0.00 H new ATOM 0 HA PHE A 32 2.956 7.980 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.500 10.591 5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.743 10.098 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.623 10.712 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.739 10.624 7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.919 11.698 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.037 11.609 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.099 12.135 5.597 1.00 0.00 H new ATOM 466 N LEU A 33 1.005 6.670 6.326 1.00 0.00 N ATOM 467 CA LEU A 33 -0.102 5.937 6.916 1.00 0.00 C ATOM 468 C LEU A 33 0.373 5.247 8.196 1.00 0.00 C ATOM 469 O LEU A 33 1.575 5.134 8.435 1.00 0.00 O ATOM 470 CB LEU A 33 -0.716 4.979 5.892 1.00 0.00 C ATOM 471 CG LEU A 33 0.159 3.797 5.471 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.556 4.268 5.059 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.214 2.735 6.571 1.00 0.00 C ATOM 0 H LEU A 33 1.892 6.166 6.313 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.903 6.620 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.647 4.588 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.975 5.549 5.000 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.295 3.331 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.158 3.408 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.474 4.959 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.032 4.773 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.843 1.906 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.631 3.172 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.792 2.369 6.774 1.00 0.00 H new ATOM 485 N ALA A 34 -0.594 4.802 8.985 1.00 0.00 N ATOM 486 CA ALA A 34 -0.289 4.126 10.234 1.00 0.00 C ATOM 487 C ALA A 34 0.800 3.080 9.990 1.00 0.00 C ATOM 488 O ALA A 34 0.712 2.294 9.049 1.00 0.00 O ATOM 489 CB ALA A 34 -1.568 3.513 10.808 1.00 0.00 C ATOM 0 H ALA A 34 -1.589 4.897 8.783 1.00 0.00 H new ATOM 0 HA ALA A 34 0.093 4.833 10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.339 3.006 11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.299 4.301 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.978 2.795 10.098 1.00 0.00 H new ATOM 495 N GLU A 35 1.803 3.104 10.856 1.00 0.00 N ATOM 496 CA GLU A 35 2.909 2.167 10.746 1.00 0.00 C ATOM 497 C GLU A 35 2.461 0.766 11.168 1.00 0.00 C ATOM 498 O GLU A 35 3.165 -0.213 10.927 1.00 0.00 O ATOM 499 CB GLU A 35 4.106 2.633 11.577 1.00 0.00 C ATOM 500 CG GLU A 35 3.801 2.551 13.074 1.00 0.00 C ATOM 501 CD GLU A 35 5.050 2.161 13.867 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.143 2.615 13.465 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.883 1.419 14.859 1.00 0.00 O ATOM 0 H GLU A 35 1.873 3.757 11.636 1.00 0.00 H new ATOM 0 HA GLU A 35 3.225 2.128 9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.975 2.018 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.361 3.659 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.428 3.513 13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.012 1.820 13.249 1.00 0.00 H new ATOM 510 N ASN A 36 1.293 0.715 11.790 1.00 0.00 N ATOM 511 CA ASN A 36 0.743 -0.550 12.247 1.00 0.00 C ATOM 512 C ASN A 36 -0.499 -0.889 11.421 1.00 0.00 C ATOM 513 O ASN A 36 -1.432 -1.514 11.923 1.00 0.00 O ATOM 514 CB ASN A 36 0.325 -0.469 13.717 1.00 0.00 C ATOM 515 CG ASN A 36 -0.660 0.679 13.945 1.00 0.00 C ATOM 516 OD1 ASN A 36 -0.988 1.437 13.047 1.00 0.00 O ATOM 517 ND2 ASN A 36 -1.113 0.763 15.193 1.00 0.00 N ATOM 0 H ASN A 36 0.712 1.529 11.988 1.00 0.00 H new ATOM 0 HA ASN A 36 1.512 -1.314 12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.132 -1.411 14.021 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.206 -0.326 14.342 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.776 1.495 15.447 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.797 0.095 15.896 1.00 0.00 H new ATOM 524 N SER A 37 -0.471 -0.464 10.166 1.00 0.00 N ATOM 525 CA SER A 37 -1.582 -0.715 9.265 1.00 0.00 C ATOM 526 C SER A 37 -1.238 -1.866 8.318 1.00 0.00 C ATOM 527 O SER A 37 -0.306 -1.761 7.522 1.00 0.00 O ATOM 528 CB SER A 37 -1.940 0.541 8.468 1.00 0.00 C ATOM 529 OG SER A 37 -3.239 1.027 8.792 1.00 0.00 O ATOM 0 H SER A 37 0.305 0.053 9.752 1.00 0.00 H new ATOM 0 HA SER A 37 -2.451 -0.992 9.862 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.202 1.319 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.891 0.320 7.402 1.00 0.00 H new ATOM 0 HG SER A 37 -3.429 1.830 8.264 1.00 0.00 H new ATOM 535 N ASN A 38 -2.009 -2.937 8.434 1.00 0.00 N ATOM 536 CA ASN A 38 -1.797 -4.106 7.598 1.00 0.00 C ATOM 537 C ASN A 38 -1.444 -3.655 6.179 1.00 0.00 C ATOM 538 O ASN A 38 -1.787 -2.546 5.773 1.00 0.00 O ATOM 539 CB ASN A 38 -3.061 -4.964 7.520 1.00 0.00 C ATOM 540 CG ASN A 38 -4.317 -4.091 7.519 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.589 -3.347 8.448 1.00 0.00 O ATOM 542 ND2 ASN A 38 -5.067 -4.223 6.429 1.00 0.00 N ATOM 0 H ASN A 38 -2.782 -3.020 9.095 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.990 -4.692 8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.036 -5.573 6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.092 -5.650 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.927 -3.684 6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.782 -4.864 5.688 1.00 0.00 H new ATOM 549 N VAL A 39 -0.763 -4.539 5.464 1.00 0.00 N ATOM 550 CA VAL A 39 -0.360 -4.246 4.099 1.00 0.00 C ATOM 551 C VAL A 39 -1.577 -3.772 3.303 1.00 0.00 C ATOM 552 O VAL A 39 -1.519 -2.748 2.624 1.00 0.00 O ATOM 553 CB VAL A 39 0.321 -5.469 3.480 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.400 -5.340 1.958 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.709 -5.688 4.085 1.00 0.00 C ATOM 0 H VAL A 39 -0.480 -5.458 5.804 1.00 0.00 H new ATOM 0 HA VAL A 39 0.373 -3.440 4.082 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.287 -6.344 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.888 -6.222 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.606 -5.255 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.974 -4.451 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.171 -6.563 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.329 -4.811 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.617 -5.846 5.160 1.00 0.00 H new ATOM 565 N ARG A 40 -2.651 -4.541 3.412 1.00 0.00 N ATOM 566 CA ARG A 40 -3.880 -4.213 2.710 1.00 0.00 C ATOM 567 C ARG A 40 -4.165 -2.713 2.810 1.00 0.00 C ATOM 568 O ARG A 40 -4.271 -2.028 1.794 1.00 0.00 O ATOM 569 CB ARG A 40 -5.067 -4.989 3.285 1.00 0.00 C ATOM 570 CG ARG A 40 -6.020 -5.435 2.174 1.00 0.00 C ATOM 571 CD ARG A 40 -7.473 -5.406 2.654 1.00 0.00 C ATOM 572 NE ARG A 40 -8.289 -6.347 1.855 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.567 -6.648 2.123 1.00 0.00 C ATOM 574 NH1 ARG A 40 -10.182 -6.084 3.172 1.00 0.00 N ATOM 575 NH2 ARG A 40 -10.229 -7.513 1.343 1.00 0.00 N ATOM 0 H ARG A 40 -2.695 -5.390 3.976 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.749 -4.493 1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.706 -5.861 3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.603 -4.364 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.906 -4.782 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.760 -6.443 1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.521 -5.675 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.874 -4.397 2.564 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.851 -6.795 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.677 -5.426 3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.155 -6.313 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.760 -7.942 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.202 -7.742 1.547 1.00 0.00 H new ATOM 589 N ARG A 41 -4.280 -2.246 4.045 1.00 0.00 N ATOM 590 CA ARG A 41 -4.550 -0.840 4.291 1.00 0.00 C ATOM 591 C ARG A 41 -3.592 0.035 3.480 1.00 0.00 C ATOM 592 O ARG A 41 -4.026 0.918 2.741 1.00 0.00 O ATOM 593 CB ARG A 41 -4.403 -0.503 5.776 1.00 0.00 C ATOM 594 CG ARG A 41 -5.638 -0.945 6.564 1.00 0.00 C ATOM 595 CD ARG A 41 -6.000 0.082 7.639 1.00 0.00 C ATOM 596 NE ARG A 41 -7.294 -0.273 8.263 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.040 0.577 8.981 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.626 1.837 9.169 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.201 0.167 9.510 1.00 0.00 N ATOM 0 H ARG A 41 -4.191 -2.817 4.886 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.577 -0.641 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.516 -0.993 6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.256 0.570 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.480 -1.077 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.450 -1.913 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.218 0.117 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.061 1.077 7.198 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.640 -1.225 8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.743 2.149 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.194 2.484 9.716 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.517 -0.792 9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.769 0.814 10.057 1.00 0.00 H new ATOM 613 N PHE A 42 -2.307 -0.242 3.643 1.00 0.00 N ATOM 614 CA PHE A 42 -1.284 0.509 2.935 1.00 0.00 C ATOM 615 C PHE A 42 -1.581 0.561 1.435 1.00 0.00 C ATOM 616 O PHE A 42 -1.369 1.587 0.791 1.00 0.00 O ATOM 617 CB PHE A 42 0.041 -0.223 3.155 1.00 0.00 C ATOM 618 CG PHE A 42 1.269 0.553 2.674 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.138 1.839 2.252 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.491 -0.043 2.669 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.277 2.560 1.806 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.631 0.678 2.223 1.00 0.00 C ATOM 623 CZ PHE A 42 3.499 1.964 1.800 1.00 0.00 C ATOM 0 H PHE A 42 -1.951 -0.976 4.255 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.250 1.533 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.153 -0.438 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.005 -1.182 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.167 2.312 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.595 -1.064 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.173 3.582 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.602 0.205 2.220 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.365 2.512 1.459 1.00 0.00 H new ATOM 633 N LYS A 43 -2.069 -0.560 0.922 1.00 0.00 N ATOM 634 CA LYS A 43 -2.398 -0.655 -0.490 1.00 0.00 C ATOM 635 C LYS A 43 -3.549 0.302 -0.807 1.00 0.00 C ATOM 636 O LYS A 43 -3.465 1.089 -1.748 1.00 0.00 O ATOM 637 CB LYS A 43 -2.682 -2.108 -0.877 1.00 0.00 C ATOM 638 CG LYS A 43 -1.419 -2.964 -0.758 1.00 0.00 C ATOM 639 CD LYS A 43 -1.772 -4.426 -0.480 1.00 0.00 C ATOM 640 CE LYS A 43 -1.125 -5.352 -1.512 1.00 0.00 C ATOM 641 NZ LYS A 43 -2.161 -6.005 -2.343 1.00 0.00 N ATOM 0 H LYS A 43 -2.244 -1.409 1.459 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.549 -0.346 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.463 -2.514 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.058 -2.149 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.840 -2.895 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.789 -2.579 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.438 -4.701 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.854 -4.553 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.447 -4.782 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.526 -6.109 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.939 -5.864 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.183 -7.023 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.090 -5.588 -2.131 1.00 0.00 H new ATOM 655 N LYS A 44 -4.597 0.202 -0.003 1.00 0.00 N ATOM 656 CA LYS A 44 -5.764 1.049 -0.186 1.00 0.00 C ATOM 657 C LYS A 44 -5.311 2.497 -0.382 1.00 0.00 C ATOM 658 O LYS A 44 -5.725 3.156 -1.335 1.00 0.00 O ATOM 659 CB LYS A 44 -6.747 0.864 0.972 1.00 0.00 C ATOM 660 CG LYS A 44 -7.589 -0.400 0.779 1.00 0.00 C ATOM 661 CD LYS A 44 -8.571 -0.586 1.938 1.00 0.00 C ATOM 662 CE LYS A 44 -9.293 -1.931 1.833 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.755 -1.727 1.726 1.00 0.00 N ATOM 0 H LYS A 44 -4.663 -0.452 0.777 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.308 0.760 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.199 0.801 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.400 1.734 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.138 -0.336 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.936 -1.269 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.036 -0.529 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.301 0.224 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.931 -2.478 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.068 -2.541 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.230 -2.650 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.098 -1.224 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.966 -1.163 0.878 1.00 0.00 H new ATOM 677 N GLN A 45 -4.469 2.950 0.534 1.00 0.00 N ATOM 678 CA GLN A 45 -3.956 4.308 0.473 1.00 0.00 C ATOM 679 C GLN A 45 -3.379 4.596 -0.914 1.00 0.00 C ATOM 680 O GLN A 45 -3.546 5.694 -1.444 1.00 0.00 O ATOM 681 CB GLN A 45 -2.909 4.548 1.563 1.00 0.00 C ATOM 682 CG GLN A 45 -3.266 5.773 2.407 1.00 0.00 C ATOM 683 CD GLN A 45 -2.104 6.767 2.451 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.252 7.948 2.182 1.00 0.00 O ATOM 685 NE2 GLN A 45 -0.942 6.225 2.804 1.00 0.00 N ATOM 0 H GLN A 45 -4.129 2.401 1.323 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.783 4.996 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.838 3.669 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.929 4.690 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.149 6.259 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.520 5.460 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.887 5.229 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.105 6.806 2.863 1.00 0.00 H new ATOM 694 N ILE A 46 -2.713 3.591 -1.463 1.00 0.00 N ATOM 695 CA ILE A 46 -2.110 3.723 -2.779 1.00 0.00 C ATOM 696 C ILE A 46 -3.215 3.811 -3.834 1.00 0.00 C ATOM 697 O ILE A 46 -3.200 4.703 -4.681 1.00 0.00 O ATOM 698 CB ILE A 46 -1.112 2.591 -3.027 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.068 2.526 -1.911 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.467 2.721 -4.408 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.436 1.095 -1.714 1.00 0.00 C ATOM 0 H ILE A 46 -2.577 2.682 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.533 4.645 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.657 1.647 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.770 3.180 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.501 2.894 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.238 1.904 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.240 2.680 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.061 3.672 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.177 1.077 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.400 0.448 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.891 0.739 -2.638 1.00 0.00 H new ATOM 713 N SER A 47 -4.147 2.874 -3.748 1.00 0.00 N ATOM 714 CA SER A 47 -5.257 2.834 -4.685 1.00 0.00 C ATOM 715 C SER A 47 -5.945 4.200 -4.740 1.00 0.00 C ATOM 716 O SER A 47 -6.325 4.665 -5.813 1.00 0.00 O ATOM 717 CB SER A 47 -6.264 1.748 -4.301 1.00 0.00 C ATOM 718 OG SER A 47 -7.284 2.247 -3.439 1.00 0.00 O ATOM 0 H SER A 47 -4.157 2.136 -3.044 1.00 0.00 H new ATOM 0 HA SER A 47 -4.862 2.593 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.719 1.340 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.742 0.927 -3.808 1.00 0.00 H new ATOM 0 HG SER A 47 -6.878 2.582 -2.612 1.00 0.00 H new ATOM 724 N LYS A 48 -6.083 4.805 -3.569 1.00 0.00 N ATOM 725 CA LYS A 48 -6.718 6.108 -3.470 1.00 0.00 C ATOM 726 C LYS A 48 -6.125 7.041 -4.528 1.00 0.00 C ATOM 727 O LYS A 48 -6.857 7.638 -5.315 1.00 0.00 O ATOM 728 CB LYS A 48 -6.611 6.649 -2.043 1.00 0.00 C ATOM 729 CG LYS A 48 -7.540 5.887 -1.097 1.00 0.00 C ATOM 730 CD LYS A 48 -8.775 6.721 -0.752 1.00 0.00 C ATOM 731 CE LYS A 48 -9.927 5.829 -0.285 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.040 5.867 -1.260 1.00 0.00 N ATOM 0 H LYS A 48 -5.766 4.417 -2.681 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.785 6.029 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.582 6.564 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.865 7.709 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.848 4.950 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.004 5.630 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.526 7.439 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.086 7.295 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.576 4.804 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.279 6.161 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.814 5.256 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.386 6.843 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.704 5.528 -2.184 1.00 0.00 H new ATOM 746 N TYR A 49 -4.803 7.137 -4.512 1.00 0.00 N ATOM 747 CA TYR A 49 -4.103 7.987 -5.460 1.00 0.00 C ATOM 748 C TYR A 49 -3.885 7.262 -6.790 1.00 0.00 C ATOM 749 O TYR A 49 -4.433 7.661 -7.816 1.00 0.00 O ATOM 750 CB TYR A 49 -2.743 8.291 -4.830 1.00 0.00 C ATOM 751 CG TYR A 49 -1.791 9.063 -5.745 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.093 10.357 -6.121 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.631 8.467 -6.196 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.198 11.084 -6.983 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.265 9.194 -7.058 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.063 10.467 -7.409 1.00 0.00 C ATOM 757 OH TYR A 49 0.783 11.153 -8.223 1.00 0.00 O ATOM 0 H TYR A 49 -4.199 6.640 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.680 8.889 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.898 8.865 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.271 7.352 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.001 10.824 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.395 7.455 -5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.423 12.096 -7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.176 8.739 -7.417 1.00 0.00 H new ATOM 0 HH TYR A 49 1.552 10.588 -8.447 1.00 0.00 H new ATOM 767 N LEU A 50 -3.084 6.209 -6.728 1.00 0.00 N ATOM 768 CA LEU A 50 -2.786 5.424 -7.915 1.00 0.00 C ATOM 769 C LEU A 50 -4.075 5.199 -8.708 1.00 0.00 C ATOM 770 O LEU A 50 -4.037 5.027 -9.926 1.00 0.00 O ATOM 771 CB LEU A 50 -2.065 4.130 -7.534 1.00 0.00 C ATOM 772 CG LEU A 50 -0.536 4.172 -7.594 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.038 4.945 -6.405 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.047 2.761 -7.696 1.00 0.00 C ATOM 0 H LEU A 50 -2.632 5.880 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.100 5.964 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.362 3.856 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.413 3.335 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.244 4.707 -8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.126 4.960 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.340 5.967 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.262 4.459 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.135 2.819 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.253 2.180 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.325 2.278 -8.600 1.00 0.00 H new ATOM 786 N HIS A 51 -5.186 5.208 -7.986 1.00 0.00 N ATOM 787 CA HIS A 51 -6.484 5.007 -8.608 1.00 0.00 C ATOM 788 C HIS A 51 -6.485 3.685 -9.378 1.00 0.00 C ATOM 789 O HIS A 51 -7.163 3.556 -10.397 1.00 0.00 O ATOM 790 CB HIS A 51 -6.858 6.204 -9.484 1.00 0.00 C ATOM 791 CG HIS A 51 -6.155 6.231 -10.820 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.560 5.459 -11.895 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.073 6.944 -11.243 1.00 0.00 C ATOM 794 CE1 HIS A 51 -5.749 5.705 -12.914 1.00 0.00 C ATOM 795 NE2 HIS A 51 -4.828 6.625 -12.508 1.00 0.00 N ATOM 0 H HIS A 51 -5.214 5.351 -6.977 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.253 4.940 -7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.935 6.196 -9.652 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.626 7.122 -8.945 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.348 4.811 -11.902 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.510 7.649 -10.649 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.807 5.256 -13.894 1.00 0.00 H new ATOM 803 N CYS A 52 -5.717 2.736 -8.863 1.00 0.00 N ATOM 804 CA CYS A 52 -5.621 1.429 -9.490 1.00 0.00 C ATOM 805 C CYS A 52 -6.114 0.380 -8.492 1.00 0.00 C ATOM 806 O CYS A 52 -5.730 0.400 -7.323 1.00 0.00 O ATOM 807 CB CYS A 52 -4.198 1.135 -9.970 1.00 0.00 C ATOM 808 SG CYS A 52 -3.665 2.414 -11.166 1.00 0.00 S ATOM 0 H CYS A 52 -5.156 2.846 -8.019 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.248 1.404 -10.382 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.516 1.113 -9.120 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.159 0.150 -10.436 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.518 3.549 -10.550 1.00 0.00 H new ATOM 814 N ASN A 53 -6.958 -0.513 -8.988 1.00 0.00 N ATOM 815 CA ASN A 53 -7.508 -1.568 -8.154 1.00 0.00 C ATOM 816 C ASN A 53 -6.414 -2.103 -7.229 1.00 0.00 C ATOM 817 O ASN A 53 -5.320 -2.437 -7.683 1.00 0.00 O ATOM 818 CB ASN A 53 -8.019 -2.733 -9.005 1.00 0.00 C ATOM 819 CG ASN A 53 -9.527 -2.622 -9.237 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.338 -3.017 -8.415 1.00 0.00 O ATOM 821 ND2 ASN A 53 -9.857 -2.065 -10.399 1.00 0.00 N ATOM 0 H ASN A 53 -7.274 -0.527 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.336 -1.149 -7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.500 -2.743 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.792 -3.677 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.839 -1.947 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.128 -1.756 -11.042 1.00 0.00 H new ATOM 828 N ALA A 54 -6.746 -2.168 -5.948 1.00 0.00 N ATOM 829 CA ALA A 54 -5.805 -2.657 -4.955 1.00 0.00 C ATOM 830 C ALA A 54 -5.615 -4.164 -5.136 1.00 0.00 C ATOM 831 O ALA A 54 -4.595 -4.718 -4.731 1.00 0.00 O ATOM 832 CB ALA A 54 -6.307 -2.297 -3.555 1.00 0.00 C ATOM 0 H ALA A 54 -7.654 -1.890 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.831 -2.184 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.601 -2.664 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.397 -1.214 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.281 -2.756 -3.389 1.00 0.00 H new ATOM 838 N ASP A 55 -6.615 -4.785 -5.746 1.00 0.00 N ATOM 839 CA ASP A 55 -6.571 -6.218 -5.986 1.00 0.00 C ATOM 840 C ASP A 55 -5.393 -6.540 -6.908 1.00 0.00 C ATOM 841 O ASP A 55 -4.926 -7.677 -6.949 1.00 0.00 O ATOM 842 CB ASP A 55 -7.852 -6.701 -6.668 1.00 0.00 C ATOM 843 CG ASP A 55 -8.134 -8.198 -6.528 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.471 -8.971 -7.253 1.00 0.00 O ATOM 845 OD2 ASP A 55 -9.006 -8.536 -5.699 1.00 0.00 O ATOM 0 H ASP A 55 -7.460 -4.322 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.464 -6.719 -5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.696 -6.148 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.796 -6.455 -7.728 1.00 0.00 H new ATOM 850 N ARG A 56 -4.948 -5.518 -7.625 1.00 0.00 N ATOM 851 CA ARG A 56 -3.834 -5.678 -8.544 1.00 0.00 C ATOM 852 C ARG A 56 -2.577 -5.017 -7.975 1.00 0.00 C ATOM 853 O ARG A 56 -1.538 -4.980 -8.633 1.00 0.00 O ATOM 854 CB ARG A 56 -4.152 -5.063 -9.908 1.00 0.00 C ATOM 855 CG ARG A 56 -5.357 -5.752 -10.552 1.00 0.00 C ATOM 856 CD ARG A 56 -4.935 -7.032 -11.276 1.00 0.00 C ATOM 857 NE ARG A 56 -5.604 -7.111 -12.594 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.835 -7.607 -12.783 1.00 0.00 C ATOM 859 NH1 ARG A 56 -7.538 -8.071 -11.741 1.00 0.00 N ATOM 860 NH2 ARG A 56 -7.362 -7.640 -14.015 1.00 0.00 N ATOM 0 H ARG A 56 -5.339 -4.577 -7.588 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.661 -6.747 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.356 -3.999 -9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.285 -5.152 -10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.096 -5.990 -9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.835 -5.072 -11.257 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.853 -7.046 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.195 -7.903 -10.674 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.097 -6.767 -13.409 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.137 -8.047 -10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.475 -8.448 -11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.826 -7.288 -14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.299 -8.017 -14.159 1.00 0.00 H new ATOM 874 N LEU A 57 -2.713 -4.510 -6.758 1.00 0.00 N ATOM 875 CA LEU A 57 -1.601 -3.852 -6.093 1.00 0.00 C ATOM 876 C LEU A 57 -0.809 -4.885 -5.289 1.00 0.00 C ATOM 877 O LEU A 57 -1.388 -5.802 -4.708 1.00 0.00 O ATOM 878 CB LEU A 57 -2.100 -2.673 -5.256 1.00 0.00 C ATOM 879 CG LEU A 57 -2.571 -1.446 -6.039 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.204 -0.410 -5.108 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.430 -0.851 -6.866 1.00 0.00 C ATOM 0 H LEU A 57 -3.576 -4.542 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.917 -3.426 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.924 -3.019 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.299 -2.365 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.344 -1.765 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.530 0.452 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.063 -0.852 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.471 -0.091 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.792 0.020 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.618 -0.551 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.065 -1.597 -7.572 1.00 0.00 H new ATOM 893 N VAL A 58 0.503 -4.703 -5.282 1.00 0.00 N ATOM 894 CA VAL A 58 1.381 -5.608 -4.559 1.00 0.00 C ATOM 895 C VAL A 58 2.332 -4.795 -3.679 1.00 0.00 C ATOM 896 O VAL A 58 2.791 -3.725 -4.078 1.00 0.00 O ATOM 897 CB VAL A 58 2.111 -6.525 -5.542 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.795 -7.681 -4.808 1.00 0.00 C ATOM 899 CG2 VAL A 58 1.158 -7.046 -6.618 1.00 0.00 C ATOM 0 H VAL A 58 0.980 -3.942 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 58 0.803 -6.256 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 58 2.884 -5.938 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.307 -8.318 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.519 -7.283 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.047 -8.266 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.703 -7.695 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.352 -7.609 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.739 -6.205 -7.171 1.00 0.00 H new ATOM 909 N LEU A 59 2.601 -5.332 -2.498 1.00 0.00 N ATOM 910 CA LEU A 59 3.490 -4.670 -1.559 1.00 0.00 C ATOM 911 C LEU A 59 4.845 -5.380 -1.558 1.00 0.00 C ATOM 912 O LEU A 59 4.915 -6.590 -1.347 1.00 0.00 O ATOM 913 CB LEU A 59 2.840 -4.583 -0.177 1.00 0.00 C ATOM 914 CG LEU A 59 2.699 -3.178 0.411 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.060 -2.623 0.838 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.980 -2.244 -0.565 1.00 0.00 C ATOM 0 H LEU A 59 2.218 -6.219 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 59 3.670 -3.640 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.849 -5.032 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.424 -5.188 0.516 1.00 0.00 H new ATOM 0 HG LEU A 59 2.082 -3.244 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.931 -1.623 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.498 -3.275 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.721 -2.575 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.893 -1.252 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.549 -2.179 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.985 -2.635 -0.777 1.00 0.00 H new ATOM 928 N ILE A 60 5.887 -4.598 -1.797 1.00 0.00 N ATOM 929 CA ILE A 60 7.236 -5.137 -1.826 1.00 0.00 C ATOM 930 C ILE A 60 8.183 -4.170 -1.112 1.00 0.00 C ATOM 931 O ILE A 60 8.339 -3.025 -1.533 1.00 0.00 O ATOM 932 CB ILE A 60 7.654 -5.459 -3.262 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.663 -6.423 -3.918 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.088 -5.989 -3.311 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.681 -5.671 -4.819 1.00 0.00 C ATOM 0 H ILE A 60 5.824 -3.595 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 60 7.279 -6.083 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 60 7.634 -4.534 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.206 -7.164 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.114 -6.965 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.359 -6.210 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.768 -5.237 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.160 -6.898 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.988 -6.379 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.123 -4.947 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.232 -5.150 -5.602 1.00 0.00 H new ATOM 947 N PHE A 61 8.790 -4.666 -0.044 1.00 0.00 N ATOM 948 CA PHE A 61 9.717 -3.860 0.732 1.00 0.00 C ATOM 949 C PHE A 61 11.115 -4.481 0.732 1.00 0.00 C ATOM 950 O PHE A 61 11.312 -5.577 1.254 1.00 0.00 O ATOM 951 CB PHE A 61 9.187 -3.826 2.166 1.00 0.00 C ATOM 952 CG PHE A 61 10.224 -3.389 3.203 1.00 0.00 C ATOM 953 CD1 PHE A 61 11.082 -4.302 3.733 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.289 -2.088 3.594 1.00 0.00 C ATOM 955 CE1 PHE A 61 12.045 -3.896 4.695 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.252 -1.683 4.556 1.00 0.00 C ATOM 957 CZ PHE A 61 12.109 -2.596 5.086 1.00 0.00 C ATOM 0 H PHE A 61 8.658 -5.616 0.302 1.00 0.00 H new ATOM 0 HA PHE A 61 9.792 -2.861 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.335 -3.148 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.820 -4.818 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.031 -5.335 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.608 -1.363 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.726 -4.621 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.304 -0.650 4.867 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.841 -2.288 5.818 1.00 0.00 H new ATOM 967 N THR A 62 12.051 -3.753 0.141 1.00 0.00 N ATOM 968 CA THR A 62 13.426 -4.218 0.067 1.00 0.00 C ATOM 969 C THR A 62 13.608 -5.153 -1.130 1.00 0.00 C ATOM 970 O THR A 62 14.621 -5.087 -1.826 1.00 0.00 O ATOM 971 CB THR A 62 13.778 -4.869 1.406 1.00 0.00 C ATOM 972 OG1 THR A 62 15.096 -4.405 1.682 1.00 0.00 O ATOM 973 CG2 THR A 62 13.933 -6.388 1.296 1.00 0.00 C ATOM 0 H THR A 62 11.884 -2.844 -0.291 1.00 0.00 H new ATOM 0 HA THR A 62 14.115 -3.390 -0.099 1.00 0.00 H new ATOM 0 HB THR A 62 13.005 -4.635 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.402 -4.778 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.183 -6.800 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.998 -6.825 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.729 -6.622 0.590 1.00 0.00 H new ATOM 981 N GLY A 63 12.613 -6.004 -1.333 1.00 0.00 N ATOM 982 CA GLY A 63 12.651 -6.951 -2.434 1.00 0.00 C ATOM 983 C GLY A 63 11.626 -8.069 -2.231 1.00 0.00 C ATOM 984 O GLY A 63 11.152 -8.665 -3.197 1.00 0.00 O ATOM 0 H GLY A 63 11.775 -6.057 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.448 -6.433 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.650 -7.379 -2.516 1.00 0.00 H new ATOM 988 N LYS A 64 11.315 -8.320 -0.967 1.00 0.00 N ATOM 989 CA LYS A 64 10.355 -9.356 -0.625 1.00 0.00 C ATOM 990 C LYS A 64 8.945 -8.764 -0.638 1.00 0.00 C ATOM 991 O LYS A 64 8.755 -7.596 -0.300 1.00 0.00 O ATOM 992 CB LYS A 64 10.732 -10.018 0.702 1.00 0.00 C ATOM 993 CG LYS A 64 12.065 -10.760 0.586 1.00 0.00 C ATOM 994 CD LYS A 64 13.243 -9.811 0.813 1.00 0.00 C ATOM 995 CE LYS A 64 14.575 -10.560 0.736 1.00 0.00 C ATOM 996 NZ LYS A 64 15.479 -10.124 1.824 1.00 0.00 N ATOM 0 H LYS A 64 11.711 -7.824 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 64 10.373 -10.152 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.800 -9.261 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.949 -10.715 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.099 -11.569 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.146 -11.217 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.224 -9.018 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.147 -9.333 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.400 -11.633 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.046 -10.379 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.378 -10.642 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.660 -9.104 1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.035 -10.319 2.744 1.00 0.00 H new ATOM 1010 N ILE A 65 7.992 -9.595 -1.031 1.00 0.00 N ATOM 1011 CA ILE A 65 6.604 -9.168 -1.092 1.00 0.00 C ATOM 1012 C ILE A 65 5.933 -9.436 0.256 1.00 0.00 C ATOM 1013 O ILE A 65 6.334 -10.342 0.984 1.00 0.00 O ATOM 1014 CB ILE A 65 5.892 -9.827 -2.275 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.668 -9.605 -3.575 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.444 -9.345 -2.382 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.344 -10.897 -4.038 1.00 0.00 C ATOM 0 H ILE A 65 8.153 -10.563 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 65 6.543 -8.095 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 65 5.861 -10.902 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.991 -9.247 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.420 -8.830 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.961 -9.829 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.908 -9.598 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.430 -8.264 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.889 -10.711 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.039 -11.239 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.587 -11.662 -4.210 1.00 0.00 H new ATOM 1029 N LEU A 66 4.922 -8.630 0.548 1.00 0.00 N ATOM 1030 CA LEU A 66 4.191 -8.769 1.796 1.00 0.00 C ATOM 1031 C LEU A 66 2.811 -9.366 1.510 1.00 0.00 C ATOM 1032 O LEU A 66 2.534 -9.789 0.389 1.00 0.00 O ATOM 1033 CB LEU A 66 4.141 -7.432 2.539 1.00 0.00 C ATOM 1034 CG LEU A 66 5.393 -6.559 2.432 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.070 -5.098 2.751 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.518 -7.103 3.315 1.00 0.00 C ATOM 0 H LEU A 66 4.592 -7.879 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 66 4.705 -9.460 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.291 -6.862 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.950 -7.632 3.593 1.00 0.00 H new ATOM 0 HG LEU A 66 5.747 -6.594 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.976 -4.498 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.325 -4.728 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.679 -5.025 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.396 -6.464 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.190 -7.117 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.770 -8.116 3.000 1.00 0.00 H new ATOM 1048 N ARG A 67 1.983 -9.381 2.544 1.00 0.00 N ATOM 1049 CA ARG A 67 0.639 -9.918 2.418 1.00 0.00 C ATOM 1050 C ARG A 67 -0.356 -9.048 3.190 1.00 0.00 C ATOM 1051 O ARG A 67 -0.046 -8.561 4.276 1.00 0.00 O ATOM 1052 CB ARG A 67 0.568 -11.353 2.946 1.00 0.00 C ATOM 1053 CG ARG A 67 1.212 -12.331 1.962 1.00 0.00 C ATOM 1054 CD ARG A 67 2.434 -13.010 2.584 1.00 0.00 C ATOM 1055 NE ARG A 67 2.699 -14.297 1.903 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.915 -15.379 2.010 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.813 -15.335 2.771 1.00 0.00 N ATOM 1058 NH2 ARG A 67 2.234 -16.505 1.356 1.00 0.00 N ATOM 0 H ARG A 67 2.217 -9.030 3.473 1.00 0.00 H new ATOM 0 HA ARG A 67 0.380 -9.919 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.074 -11.415 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.472 -11.632 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.484 -13.086 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.508 -11.800 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.304 -12.359 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.264 -13.180 3.647 1.00 0.00 H new ATOM 0 HE ARG A 67 3.530 -14.365 1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.571 -14.478 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.216 -16.158 2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.073 -16.538 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.638 -17.328 1.437 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.530 -8.881 2.599 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.571 -8.078 3.218 1.00 0.00 C ATOM 1074 C ASP A 68 -2.692 -8.459 4.695 1.00 0.00 C ATOM 1075 O ASP A 68 -3.063 -7.630 5.524 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.926 -8.327 2.553 1.00 0.00 C ATOM 1077 CG ASP A 68 -4.073 -9.691 1.874 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -4.225 -10.682 2.620 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.030 -9.711 0.625 1.00 0.00 O ATOM 0 H ASP A 68 -1.783 -9.288 1.699 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.301 -7.028 3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.707 -8.227 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.098 -7.548 1.810 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.372 -9.713 4.978 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.441 -10.213 6.341 1.00 0.00 C ATOM 1086 C GLN A 69 -1.088 -10.047 7.036 1.00 0.00 C ATOM 1087 O GLN A 69 -0.652 -10.930 7.773 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.895 -11.674 6.366 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.821 -12.592 5.780 1.00 0.00 C ATOM 1090 CD GLN A 69 -2.403 -13.964 5.432 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -3.593 -14.209 5.545 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.500 -14.841 5.003 1.00 0.00 N ATOM 0 H GLN A 69 -2.064 -10.398 4.287 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.181 -9.627 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.114 -11.973 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.819 -11.781 5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.396 -12.136 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.007 -12.709 6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.519 -14.570 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.788 -15.785 4.745 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.461 -8.909 6.776 1.00 0.00 N ATOM 1102 CA ASP A 70 0.834 -8.616 7.368 1.00 0.00 C ATOM 1103 C ASP A 70 0.931 -7.117 7.656 1.00 0.00 C ATOM 1104 O ASP A 70 0.431 -6.299 6.885 1.00 0.00 O ATOM 1105 CB ASP A 70 1.972 -8.989 6.415 1.00 0.00 C ATOM 1106 CG ASP A 70 2.121 -10.487 6.141 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.072 -11.166 6.115 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.281 -10.918 5.963 1.00 0.00 O ATOM 0 H ASP A 70 -0.825 -8.179 6.164 1.00 0.00 H new ATOM 0 HA ASP A 70 0.925 -9.199 8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.815 -8.475 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.909 -8.616 6.828 1.00 0.00 H new ATOM 1113 N ILE A 71 1.577 -6.801 8.768 1.00 0.00 N ATOM 1114 CA ILE A 71 1.746 -5.414 9.168 1.00 0.00 C ATOM 1115 C ILE A 71 3.045 -4.870 8.569 1.00 0.00 C ATOM 1116 O ILE A 71 3.920 -5.638 8.173 1.00 0.00 O ATOM 1117 CB ILE A 71 1.667 -5.282 10.690 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.227 -5.442 11.181 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.290 -3.965 11.159 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.424 -6.686 10.574 1.00 0.00 C ATOM 0 H ILE A 71 1.990 -7.482 9.405 1.00 0.00 H new ATOM 0 HA ILE A 71 0.933 -4.802 8.776 1.00 0.00 H new ATOM 0 HB ILE A 71 2.249 -6.090 11.133 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.216 -5.515 12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.352 -4.558 10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.221 -3.896 12.245 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.337 -3.931 10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.756 -3.129 10.708 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.447 -6.776 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.433 -6.599 9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.144 -7.571 10.862 1.00 0.00 H new ATOM 1132 N LEU A 72 3.129 -3.548 8.523 1.00 0.00 N ATOM 1133 CA LEU A 72 4.306 -2.892 7.980 1.00 0.00 C ATOM 1134 C LEU A 72 5.480 -3.082 8.943 1.00 0.00 C ATOM 1135 O LEU A 72 6.423 -3.812 8.641 1.00 0.00 O ATOM 1136 CB LEU A 72 4.004 -1.427 7.660 1.00 0.00 C ATOM 1137 CG LEU A 72 2.698 -1.161 6.908 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.460 0.341 6.736 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.675 -1.901 5.569 1.00 0.00 C ATOM 0 H LEU A 72 2.401 -2.914 8.853 1.00 0.00 H new ATOM 0 HA LEU A 72 4.593 -3.348 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.982 -0.868 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.828 -1.027 7.069 1.00 0.00 H new ATOM 0 HG LEU A 72 1.875 -1.552 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.525 0.502 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.401 0.815 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.283 0.777 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.736 -1.695 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.508 -1.563 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.765 -2.973 5.744 1.00 0.00 H new ATOM 1151 N SER A 73 5.384 -2.411 10.081 1.00 0.00 N ATOM 1152 CA SER A 73 6.427 -2.496 11.090 1.00 0.00 C ATOM 1153 C SER A 73 6.819 -3.958 11.315 1.00 0.00 C ATOM 1154 O SER A 73 7.985 -4.320 11.170 1.00 0.00 O ATOM 1155 CB SER A 73 5.973 -1.859 12.405 1.00 0.00 C ATOM 1156 OG SER A 73 6.812 -0.773 12.789 1.00 0.00 O ATOM 0 H SER A 73 4.600 -1.806 10.327 1.00 0.00 H new ATOM 0 HA SER A 73 7.296 -1.945 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.947 -1.506 12.302 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.973 -2.613 13.192 1.00 0.00 H new ATOM 0 HG SER A 73 6.489 -0.392 13.632 1.00 0.00 H new ATOM 1162 N GLN A 74 5.823 -4.757 11.666 1.00 0.00 N ATOM 1163 CA GLN A 74 6.049 -6.171 11.913 1.00 0.00 C ATOM 1164 C GLN A 74 6.920 -6.770 10.807 1.00 0.00 C ATOM 1165 O GLN A 74 7.847 -7.529 11.085 1.00 0.00 O ATOM 1166 CB GLN A 74 4.723 -6.925 12.035 1.00 0.00 C ATOM 1167 CG GLN A 74 3.938 -6.458 13.262 1.00 0.00 C ATOM 1168 CD GLN A 74 3.444 -7.651 14.084 1.00 0.00 C ATOM 1169 OE1 GLN A 74 4.065 -8.074 15.045 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.297 -8.166 13.653 1.00 0.00 N ATOM 0 H GLN A 74 4.857 -4.452 11.785 1.00 0.00 H new ATOM 0 HA GLN A 74 6.577 -6.275 12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.127 -6.768 11.136 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.915 -7.996 12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.570 -5.822 13.882 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.088 -5.853 12.946 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.830 -7.762 12.841 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.884 -8.965 14.134 1.00 0.00 H new ATOM 1179 N ARG A 75 6.593 -6.405 9.576 1.00 0.00 N ATOM 1180 CA ARG A 75 7.334 -6.897 8.427 1.00 0.00 C ATOM 1181 C ARG A 75 8.749 -6.315 8.420 1.00 0.00 C ATOM 1182 O ARG A 75 9.720 -7.037 8.196 1.00 0.00 O ATOM 1183 CB ARG A 75 6.632 -6.527 7.119 1.00 0.00 C ATOM 1184 CG ARG A 75 5.555 -7.555 6.765 1.00 0.00 C ATOM 1185 CD ARG A 75 6.158 -8.955 6.629 1.00 0.00 C ATOM 1186 NE ARG A 75 5.451 -9.709 5.569 1.00 0.00 N ATOM 1187 CZ ARG A 75 5.888 -10.866 5.052 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.031 -11.408 5.494 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.181 -11.480 4.094 1.00 0.00 N ATOM 0 H ARG A 75 5.824 -5.774 9.349 1.00 0.00 H new ATOM 0 HA ARG A 75 7.384 -7.983 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.181 -5.539 7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.364 -6.469 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.784 -7.560 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.070 -7.272 5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.219 -8.882 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.082 -9.487 7.578 1.00 0.00 H new ATOM 0 HE ARG A 75 4.577 -9.324 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.568 -10.940 6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.364 -12.288 5.101 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.311 -11.067 3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.513 -12.360 3.700 1.00 0.00 H new ATOM 1203 N GLY A 76 8.822 -5.016 8.668 1.00 0.00 N ATOM 1204 CA GLY A 76 10.102 -4.329 8.693 1.00 0.00 C ATOM 1205 C GLY A 76 9.939 -2.852 8.330 1.00 0.00 C ATOM 1206 O GLY A 76 10.716 -2.009 8.776 1.00 0.00 O ATOM 0 H GLY A 76 8.015 -4.421 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.546 -4.417 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.788 -4.806 7.993 1.00 0.00 H new ATOM 1210 N ILE A 77 8.923 -2.582 7.523 1.00 0.00 N ATOM 1211 CA ILE A 77 8.648 -1.221 7.095 1.00 0.00 C ATOM 1212 C ILE A 77 8.631 -0.300 8.316 1.00 0.00 C ATOM 1213 O ILE A 77 7.727 -0.380 9.146 1.00 0.00 O ATOM 1214 CB ILE A 77 7.362 -1.169 6.268 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.589 -1.738 4.865 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.794 0.251 6.226 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.301 -2.347 4.306 1.00 0.00 C ATOM 0 H ILE A 77 8.280 -3.283 7.154 1.00 0.00 H new ATOM 0 HA ILE A 77 9.439 -0.862 6.436 1.00 0.00 H new ATOM 0 HB ILE A 77 6.617 -1.799 6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.940 -0.948 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.370 -2.498 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.880 0.260 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.571 0.584 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.526 0.922 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.489 -2.744 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.966 -3.152 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.529 -1.579 4.251 1.00 0.00 H new ATOM 1229 N LEU A 78 9.642 0.553 8.388 1.00 0.00 N ATOM 1230 CA LEU A 78 9.755 1.489 9.494 1.00 0.00 C ATOM 1231 C LEU A 78 9.589 2.916 8.969 1.00 0.00 C ATOM 1232 O LEU A 78 9.171 3.117 7.830 1.00 0.00 O ATOM 1233 CB LEU A 78 11.062 1.262 10.257 1.00 0.00 C ATOM 1234 CG LEU A 78 10.928 1.028 11.763 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.034 -0.180 12.053 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.302 0.896 12.422 1.00 0.00 C ATOM 0 H LEU A 78 10.391 0.616 7.698 1.00 0.00 H new ATOM 0 HA LEU A 78 8.957 1.321 10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.570 0.403 9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.706 2.127 10.100 1.00 0.00 H new ATOM 0 HG LEU A 78 10.443 1.900 12.202 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.955 -0.324 13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.042 -0.006 11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.467 -1.071 11.598 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.178 0.730 13.492 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.836 0.053 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.872 1.811 12.260 1.00 0.00 H new ATOM 1248 N ASP A 79 9.926 3.870 9.824 1.00 0.00 N ATOM 1249 CA ASP A 79 9.820 5.273 9.460 1.00 0.00 C ATOM 1250 C ASP A 79 10.971 5.640 8.522 1.00 0.00 C ATOM 1251 O ASP A 79 12.138 5.436 8.854 1.00 0.00 O ATOM 1252 CB ASP A 79 9.913 6.171 10.696 1.00 0.00 C ATOM 1253 CG ASP A 79 10.349 7.610 10.417 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.471 8.401 10.009 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.551 7.888 10.619 1.00 0.00 O ATOM 0 H ASP A 79 10.273 3.699 10.768 1.00 0.00 H new ATOM 0 HA ASP A 79 8.855 5.424 8.976 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.940 6.191 11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.616 5.724 11.399 1.00 0.00 H new ATOM 1260 N GLY A 80 10.603 6.176 7.367 1.00 0.00 N ATOM 1261 CA GLY A 80 11.590 6.574 6.378 1.00 0.00 C ATOM 1262 C GLY A 80 12.087 5.365 5.583 1.00 0.00 C ATOM 1263 O GLY A 80 13.291 5.188 5.403 1.00 0.00 O ATOM 0 H GLY A 80 9.635 6.344 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.154 7.307 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.431 7.059 6.873 1.00 0.00 H new ATOM 1267 N SER A 81 11.135 4.563 5.129 1.00 0.00 N ATOM 1268 CA SER A 81 11.461 3.376 4.357 1.00 0.00 C ATOM 1269 C SER A 81 10.973 3.538 2.916 1.00 0.00 C ATOM 1270 O SER A 81 10.221 4.462 2.612 1.00 0.00 O ATOM 1271 CB SER A 81 10.848 2.124 4.987 1.00 0.00 C ATOM 1272 OG SER A 81 11.375 1.867 6.286 1.00 0.00 O ATOM 0 H SER A 81 10.137 4.712 5.281 1.00 0.00 H new ATOM 0 HA SER A 81 12.544 3.256 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.766 2.243 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.036 1.265 4.343 1.00 0.00 H new ATOM 0 HG SER A 81 11.720 0.951 6.324 1.00 0.00 H new ATOM 1278 N THR A 82 11.422 2.625 2.067 1.00 0.00 N ATOM 1279 CA THR A 82 11.041 2.655 0.665 1.00 0.00 C ATOM 1280 C THR A 82 10.316 1.364 0.282 1.00 0.00 C ATOM 1281 O THR A 82 10.851 0.271 0.459 1.00 0.00 O ATOM 1282 CB THR A 82 12.302 2.912 -0.162 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.661 4.253 0.159 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.018 2.953 -1.665 1.00 0.00 C ATOM 0 H THR A 82 12.046 1.860 2.323 1.00 0.00 H new ATOM 0 HA THR A 82 10.334 3.460 0.464 1.00 0.00 H new ATOM 0 HB THR A 82 13.038 2.136 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.471 4.502 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.946 3.138 -2.206 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.598 1.999 -1.982 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.308 3.751 -1.879 1.00 0.00 H new ATOM 1292 N VAL A 83 9.108 1.533 -0.236 1.00 0.00 N ATOM 1293 CA VAL A 83 8.304 0.394 -0.646 1.00 0.00 C ATOM 1294 C VAL A 83 7.942 0.537 -2.126 1.00 0.00 C ATOM 1295 O VAL A 83 7.441 1.578 -2.548 1.00 0.00 O ATOM 1296 CB VAL A 83 7.077 0.267 0.260 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.317 -1.030 -0.025 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.473 0.358 1.735 1.00 0.00 C ATOM 0 H VAL A 83 8.667 2.441 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 83 8.869 -0.532 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 83 6.410 1.101 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.450 -1.096 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.987 -1.037 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.972 -1.882 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.583 0.265 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.169 -0.446 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.950 1.320 1.925 1.00 0.00 H new ATOM 1308 N HIS A 84 8.209 -0.524 -2.873 1.00 0.00 N ATOM 1309 CA HIS A 84 7.918 -0.529 -4.296 1.00 0.00 C ATOM 1310 C HIS A 84 6.447 -0.887 -4.518 1.00 0.00 C ATOM 1311 O HIS A 84 5.950 -1.862 -3.957 1.00 0.00 O ATOM 1312 CB HIS A 84 8.873 -1.462 -5.043 1.00 0.00 C ATOM 1313 CG HIS A 84 10.257 -0.891 -5.245 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.598 -0.126 -6.347 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.379 -0.980 -4.475 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.871 0.223 -6.235 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.354 -0.307 -5.075 1.00 0.00 N ATOM 0 H HIS A 84 8.624 -1.386 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 84 8.080 0.468 -4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.955 -2.399 -4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.444 -1.701 -6.016 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.461 -1.508 -3.537 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.429 0.822 -6.939 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.307 -0.204 -4.726 1.00 0.00 H new ATOM 1325 N VAL A 85 5.791 -0.078 -5.337 1.00 0.00 N ATOM 1326 CA VAL A 85 4.387 -0.297 -5.639 1.00 0.00 C ATOM 1327 C VAL A 85 4.264 -0.976 -7.005 1.00 0.00 C ATOM 1328 O VAL A 85 5.140 -0.831 -7.855 1.00 0.00 O ATOM 1329 CB VAL A 85 3.622 1.026 -5.558 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.935 1.915 -6.763 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.117 0.782 -5.433 1.00 0.00 C ATOM 0 H VAL A 85 6.206 0.730 -5.801 1.00 0.00 H new ATOM 0 HA VAL A 85 3.937 -0.963 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 85 3.952 1.550 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.379 2.849 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.003 2.130 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.647 1.400 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.597 1.738 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.765 0.228 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.916 0.206 -4.530 1.00 0.00 H new ATOM 1341 N VAL A 86 3.168 -1.702 -7.172 1.00 0.00 N ATOM 1342 CA VAL A 86 2.919 -2.404 -8.419 1.00 0.00 C ATOM 1343 C VAL A 86 1.423 -2.354 -8.737 1.00 0.00 C ATOM 1344 O VAL A 86 0.596 -2.243 -7.834 1.00 0.00 O ATOM 1345 CB VAL A 86 3.465 -3.831 -8.335 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.737 -4.755 -9.314 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.975 -3.855 -8.579 1.00 0.00 C ATOM 0 H VAL A 86 2.443 -1.819 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 86 3.443 -1.918 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 86 3.282 -4.201 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.144 -5.763 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.674 -4.773 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.874 -4.388 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.338 -4.881 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.190 -3.457 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.475 -3.245 -7.827 1.00 0.00 H new ATOM 1357 N VAL A 87 1.121 -2.439 -10.025 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.261 -2.406 -10.473 1.00 0.00 C ATOM 1359 C VAL A 87 -0.490 -3.526 -11.489 1.00 0.00 C ATOM 1360 O VAL A 87 -0.719 -3.263 -12.668 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.598 -1.019 -11.026 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.101 -0.879 -11.275 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -0.091 0.081 -10.092 1.00 0.00 C ATOM 0 H VAL A 87 1.810 -2.531 -10.772 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.938 -2.582 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.089 -0.906 -11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.314 0.115 -11.668 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.422 -1.630 -11.997 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.640 -1.022 -10.338 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.343 1.056 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.559 -0.028 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.991 -0.000 -9.988 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.421 -4.754 -10.994 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.618 -5.915 -11.844 1.00 0.00 C ATOM 1375 C ARG A 88 -1.733 -5.649 -12.857 1.00 0.00 C ATOM 1376 O ARG A 88 -2.601 -4.808 -12.624 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.977 -7.150 -11.014 1.00 0.00 C ATOM 1378 CG ARG A 88 0.281 -7.916 -10.598 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.026 -8.901 -9.469 1.00 0.00 C ATOM 1380 NE ARG A 88 0.030 -10.289 -9.979 1.00 0.00 N ATOM 1381 CZ ARG A 88 -0.342 -11.365 -9.272 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -0.799 -11.220 -8.021 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -0.257 -12.587 -9.817 1.00 0.00 N ATOM 0 H ARG A 88 -0.231 -4.969 -10.015 1.00 0.00 H new ATOM 0 HA ARG A 88 0.318 -6.103 -12.370 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.533 -6.847 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.631 -7.803 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.684 -8.454 -11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.049 -7.213 -10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.692 -8.773 -8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.013 -8.696 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 88 0.373 -10.436 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.864 -10.290 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.082 -12.039 -7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.091 -12.698 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.540 -13.406 -9.279 1.00 0.00 H new ATOM 1397 N SER A 89 -1.674 -6.380 -13.960 1.00 0.00 N ATOM 1398 CA SER A 89 -2.668 -6.233 -15.009 1.00 0.00 C ATOM 1399 C SER A 89 -2.665 -7.470 -15.910 1.00 0.00 C ATOM 1400 O SER A 89 -1.644 -8.143 -16.043 1.00 0.00 O ATOM 1401 CB SER A 89 -2.412 -4.973 -15.838 1.00 0.00 C ATOM 1402 OG SER A 89 -3.147 -4.978 -17.059 1.00 0.00 O ATOM 0 H SER A 89 -0.953 -7.076 -14.150 1.00 0.00 H new ATOM 0 HA SER A 89 -3.647 -6.134 -14.540 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.685 -4.094 -15.254 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.347 -4.893 -16.056 1.00 0.00 H new ATOM 0 HG SER A 89 -2.958 -4.156 -17.558 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.819 -7.732 -16.506 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.962 -8.876 -17.390 1.00 0.00 C ATOM 1410 C HIS A 90 -5.223 -8.712 -18.242 1.00 0.00 C ATOM 1411 O HIS A 90 -6.337 -8.846 -17.739 1.00 0.00 O ATOM 1412 CB HIS A 90 -3.950 -10.183 -16.595 1.00 0.00 C ATOM 1413 CG HIS A 90 -3.973 -11.425 -17.453 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -5.109 -12.197 -17.624 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -2.990 -12.019 -18.188 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -4.811 -13.208 -18.426 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -3.497 -13.097 -18.774 1.00 0.00 N ATOM 0 H HIS A 90 -4.664 -7.171 -16.394 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.110 -8.924 -18.068 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.060 -10.205 -15.966 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.812 -10.199 -15.928 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.971 -11.671 -18.278 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.490 -13.984 -18.748 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -2.988 -13.737 -19.384 1.00 0.00 H new ATOM 1425 N SER A 91 -5.004 -8.424 -19.516 1.00 0.00 N ATOM 1426 CA SER A 91 -6.109 -8.241 -20.442 1.00 0.00 C ATOM 1427 C SER A 91 -7.201 -7.391 -19.791 1.00 0.00 C ATOM 1428 O SER A 91 -8.189 -7.923 -19.287 1.00 0.00 O ATOM 1429 CB SER A 91 -6.680 -9.587 -20.892 1.00 0.00 C ATOM 1430 OG SER A 91 -6.530 -9.789 -22.294 1.00 0.00 O ATOM 0 H SER A 91 -4.078 -8.313 -19.929 1.00 0.00 H new ATOM 0 HA SER A 91 -5.733 -7.724 -21.325 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.178 -10.392 -20.354 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.737 -9.638 -20.629 1.00 0.00 H new ATOM 0 HG SER A 91 -6.905 -10.660 -22.541 1.00 0.00 H new ATOM 1436 N GLY A 92 -6.988 -6.083 -19.824 1.00 0.00 N ATOM 1437 CA GLY A 92 -7.943 -5.155 -19.243 1.00 0.00 C ATOM 1438 C GLY A 92 -7.974 -3.840 -20.025 1.00 0.00 C ATOM 1439 O GLY A 92 -7.139 -2.964 -19.806 1.00 0.00 O ATOM 0 H GLY A 92 -6.168 -5.645 -20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.936 -5.604 -19.240 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.679 -4.958 -18.204 1.00 0.00 H new ATOM 1443 N PRO A 93 -8.971 -3.741 -20.944 1.00 0.00 N ATOM 1444 CA PRO A 93 -9.122 -2.548 -21.759 1.00 0.00 C ATOM 1445 C PRO A 93 -9.713 -1.397 -20.943 1.00 0.00 C ATOM 1446 O PRO A 93 -9.203 -0.278 -20.981 1.00 0.00 O ATOM 1447 CB PRO A 93 -10.011 -2.972 -22.917 1.00 0.00 C ATOM 1448 CG PRO A 93 -10.701 -4.249 -22.466 1.00 0.00 C ATOM 1449 CD PRO A 93 -9.978 -4.758 -21.230 1.00 0.00 C ATOM 0 HA PRO A 93 -8.169 -2.166 -22.125 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.740 -2.197 -23.154 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.423 -3.143 -23.819 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.750 -4.057 -22.242 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.675 -4.997 -23.258 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.665 -4.882 -20.393 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.519 -5.730 -21.412 1.00 0.00 H new ATOM 1457 N SER A 94 -10.780 -1.711 -20.223 1.00 0.00 N ATOM 1458 CA SER A 94 -11.446 -0.717 -19.399 1.00 0.00 C ATOM 1459 C SER A 94 -11.460 -1.172 -17.938 1.00 0.00 C ATOM 1460 O SER A 94 -10.921 -0.491 -17.067 1.00 0.00 O ATOM 1461 CB SER A 94 -12.873 -0.462 -19.888 1.00 0.00 C ATOM 1462 OG SER A 94 -12.922 -0.233 -21.294 1.00 0.00 O ATOM 0 H SER A 94 -11.200 -2.640 -20.193 1.00 0.00 H new ATOM 0 HA SER A 94 -10.891 0.218 -19.477 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.500 -1.317 -19.638 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.287 0.400 -19.365 1.00 0.00 H new ATOM 0 HG SER A 94 -13.850 -0.076 -21.568 1.00 0.00 H new ATOM 1468 N SER A 95 -12.081 -2.321 -17.715 1.00 0.00 N ATOM 1469 CA SER A 95 -12.172 -2.876 -16.375 1.00 0.00 C ATOM 1470 C SER A 95 -12.863 -4.240 -16.419 1.00 0.00 C ATOM 1471 O SER A 95 -14.084 -4.317 -16.550 1.00 0.00 O ATOM 1472 CB SER A 95 -12.924 -1.929 -15.438 1.00 0.00 C ATOM 1473 OG SER A 95 -12.086 -1.429 -14.399 1.00 0.00 O ATOM 0 H SER A 95 -12.526 -2.883 -18.440 1.00 0.00 H new ATOM 0 HA SER A 95 -11.161 -3.001 -15.987 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.326 -1.095 -16.012 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.773 -2.452 -14.999 1.00 0.00 H new ATOM 0 HG SER A 95 -11.359 -0.901 -14.791 1.00 0.00 H new ATOM 1479 N GLY A 96 -12.053 -5.282 -16.307 1.00 0.00 N ATOM 1480 CA GLY A 96 -12.572 -6.639 -16.332 1.00 0.00 C ATOM 1481 C GLY A 96 -13.546 -6.875 -15.176 1.00 0.00 C ATOM 1482 O GLY A 96 -14.709 -7.208 -15.398 1.00 0.00 O ATOM 0 H GLY A 96 -11.041 -5.214 -16.199 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -13.077 -6.822 -17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.747 -7.349 -16.268 1.00 0.00 H new TER 1486 GLY A 96