USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0443 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 29:sc= 0.137 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -108:sc= -1.28! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 28 GLN : amide:sc= -6.98! C(o=-7!,f=-8.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -155:sc= -9.04! (180deg=-11.7!) USER MOD Single : A 44 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 55 CYS SG : rot 102:sc= -0.151 USER MOD Single : A 56 GLN : amide:sc= -3.93! C(o=-3.9!,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot -102:sc= 0.999 USER MOD Single : A 63 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 72 ASN : amide:sc= -2.13! K(o=-2.1!,f=-3.1) USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.467) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 3:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -46.598 -11.235 -1.654 1.00 0.00 N ATOM 2 CA GLY A 1 -45.944 -12.328 -2.353 1.00 0.00 C ATOM 3 C GLY A 1 -45.502 -11.897 -3.753 1.00 0.00 C ATOM 4 O GLY A 1 -45.222 -10.722 -3.985 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.201 -11.148 -0.697 1.00 0.00 H new ATOM 0 H2 GLY A 1 -46.443 -10.348 -2.175 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.618 -11.425 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -45.078 -12.664 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.625 -13.176 -2.428 1.00 0.00 H new ATOM 8 N SER A 2 -45.454 -12.871 -4.650 1.00 0.00 N ATOM 9 CA SER A 2 -45.051 -12.607 -6.021 1.00 0.00 C ATOM 10 C SER A 2 -43.595 -12.138 -6.057 1.00 0.00 C ATOM 11 O SER A 2 -43.272 -11.065 -5.550 1.00 0.00 O ATOM 12 CB SER A 2 -45.961 -11.564 -6.671 1.00 0.00 C ATOM 13 OG SER A 2 -46.597 -12.066 -7.843 1.00 0.00 O ATOM 0 H SER A 2 -45.688 -13.844 -4.454 1.00 0.00 H new ATOM 0 HA SER A 2 -45.142 -13.533 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 -46.719 -11.248 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.375 -10.681 -6.926 1.00 0.00 H new ATOM 0 HG SER A 2 -47.171 -11.371 -8.227 1.00 0.00 H new ATOM 19 N SER A 3 -42.755 -12.966 -6.662 1.00 0.00 N ATOM 20 CA SER A 3 -41.341 -12.649 -6.771 1.00 0.00 C ATOM 21 C SER A 3 -41.157 -11.331 -7.525 1.00 0.00 C ATOM 22 O SER A 3 -40.571 -10.387 -6.998 1.00 0.00 O ATOM 23 CB SER A 3 -40.578 -13.774 -7.474 1.00 0.00 C ATOM 24 OG SER A 3 -39.167 -13.640 -7.318 1.00 0.00 O ATOM 0 H SER A 3 -43.027 -13.855 -7.081 1.00 0.00 H new ATOM 0 HA SER A 3 -40.935 -12.544 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.898 -14.735 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -40.827 -13.773 -8.535 1.00 0.00 H new ATOM 0 HG SER A 3 -38.715 -14.377 -7.779 1.00 0.00 H new ATOM 30 N GLY A 4 -41.667 -11.309 -8.747 1.00 0.00 N ATOM 31 CA GLY A 4 -41.566 -10.122 -9.579 1.00 0.00 C ATOM 32 C GLY A 4 -42.006 -10.419 -11.014 1.00 0.00 C ATOM 33 O GLY A 4 -42.985 -11.131 -11.233 1.00 0.00 O ATOM 0 H GLY A 4 -42.152 -12.094 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -42.185 -9.328 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -40.538 -9.759 -9.578 1.00 0.00 H new ATOM 37 N SER A 5 -41.261 -9.858 -11.956 1.00 0.00 N ATOM 38 CA SER A 5 -41.561 -10.054 -13.364 1.00 0.00 C ATOM 39 C SER A 5 -40.892 -11.334 -13.868 1.00 0.00 C ATOM 40 O SER A 5 -39.766 -11.643 -13.484 1.00 0.00 O ATOM 41 CB SER A 5 -41.107 -8.853 -14.196 1.00 0.00 C ATOM 42 OG SER A 5 -41.997 -7.748 -14.071 1.00 0.00 O ATOM 0 H SER A 5 -40.450 -9.268 -11.771 1.00 0.00 H new ATOM 0 HA SER A 5 -42.641 -10.149 -13.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.108 -8.551 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -41.036 -9.144 -15.244 1.00 0.00 H new ATOM 0 HG SER A 5 -41.671 -7.002 -14.616 1.00 0.00 H new ATOM 48 N SER A 6 -41.615 -12.044 -14.722 1.00 0.00 N ATOM 49 CA SER A 6 -41.105 -13.284 -15.283 1.00 0.00 C ATOM 50 C SER A 6 -39.763 -13.033 -15.974 1.00 0.00 C ATOM 51 O SER A 6 -39.591 -12.023 -16.655 1.00 0.00 O ATOM 52 CB SER A 6 -42.104 -13.893 -16.270 1.00 0.00 C ATOM 53 OG SER A 6 -42.554 -15.178 -15.849 1.00 0.00 O ATOM 0 H SER A 6 -42.549 -11.785 -15.039 1.00 0.00 H new ATOM 0 HA SER A 6 -40.960 -13.994 -14.469 1.00 0.00 H new ATOM 0 HB2 SER A 6 -42.960 -13.226 -16.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -41.639 -13.976 -17.252 1.00 0.00 H new ATOM 0 HG SER A 6 -43.191 -15.532 -16.504 1.00 0.00 H new ATOM 59 N GLY A 7 -38.847 -13.968 -15.773 1.00 0.00 N ATOM 60 CA GLY A 7 -37.525 -13.861 -16.367 1.00 0.00 C ATOM 61 C GLY A 7 -36.494 -14.651 -15.558 1.00 0.00 C ATOM 62 O GLY A 7 -35.958 -15.649 -16.035 1.00 0.00 O ATOM 0 H GLY A 7 -38.994 -14.804 -15.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -37.551 -14.233 -17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -37.228 -12.813 -16.416 1.00 0.00 H new ATOM 66 N SER A 8 -36.248 -14.173 -14.347 1.00 0.00 N ATOM 67 CA SER A 8 -35.291 -14.821 -13.467 1.00 0.00 C ATOM 68 C SER A 8 -35.518 -16.334 -13.471 1.00 0.00 C ATOM 69 O SER A 8 -36.659 -16.794 -13.488 1.00 0.00 O ATOM 70 CB SER A 8 -35.394 -14.273 -12.042 1.00 0.00 C ATOM 71 OG SER A 8 -34.505 -13.181 -11.825 1.00 0.00 O ATOM 0 H SER A 8 -36.695 -13.344 -13.955 1.00 0.00 H new ATOM 0 HA SER A 8 -34.288 -14.609 -13.837 1.00 0.00 H new ATOM 0 HB2 SER A 8 -36.418 -13.951 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 8 -35.172 -15.068 -11.331 1.00 0.00 H new ATOM 0 HG SER A 8 -34.602 -12.858 -10.905 1.00 0.00 H new ATOM 77 N SER A 9 -34.414 -17.066 -13.456 1.00 0.00 N ATOM 78 CA SER A 9 -34.478 -18.518 -13.458 1.00 0.00 C ATOM 79 C SER A 9 -33.917 -19.068 -12.145 1.00 0.00 C ATOM 80 O SER A 9 -32.799 -18.735 -11.755 1.00 0.00 O ATOM 81 CB SER A 9 -33.713 -19.101 -14.647 1.00 0.00 C ATOM 82 OG SER A 9 -32.304 -18.940 -14.507 1.00 0.00 O ATOM 0 H SER A 9 -33.470 -16.681 -13.442 1.00 0.00 H new ATOM 0 HA SER A 9 -35.523 -18.814 -13.552 1.00 0.00 H new ATOM 0 HB2 SER A 9 -33.949 -20.161 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 9 -34.044 -18.615 -15.565 1.00 0.00 H new ATOM 0 HG SER A 9 -32.070 -18.922 -13.556 1.00 0.00 H new ATOM 88 N ALA A 10 -34.720 -19.901 -11.499 1.00 0.00 N ATOM 89 CA ALA A 10 -34.318 -20.500 -10.238 1.00 0.00 C ATOM 90 C ALA A 10 -34.300 -19.425 -9.149 1.00 0.00 C ATOM 91 O ALA A 10 -35.157 -19.415 -8.267 1.00 0.00 O ATOM 92 CB ALA A 10 -32.958 -21.182 -10.406 1.00 0.00 C ATOM 0 H ALA A 10 -35.647 -20.175 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 10 -35.031 -21.266 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -32.657 -21.631 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -33.032 -21.957 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -32.216 -20.444 -10.710 1.00 0.00 H new ATOM 98 N GLU A 11 -33.313 -18.546 -9.248 1.00 0.00 N ATOM 99 CA GLU A 11 -33.172 -17.469 -8.283 1.00 0.00 C ATOM 100 C GLU A 11 -32.126 -16.460 -8.762 1.00 0.00 C ATOM 101 O GLU A 11 -31.329 -16.762 -9.649 1.00 0.00 O ATOM 102 CB GLU A 11 -32.813 -18.015 -6.899 1.00 0.00 C ATOM 103 CG GLU A 11 -31.440 -18.689 -6.916 1.00 0.00 C ATOM 104 CD GLU A 11 -31.108 -19.292 -5.549 1.00 0.00 C ATOM 105 OE1 GLU A 11 -30.955 -18.494 -4.599 1.00 0.00 O ATOM 106 OE2 GLU A 11 -31.016 -20.537 -5.485 1.00 0.00 O ATOM 0 H GLU A 11 -32.604 -18.558 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 11 -34.130 -16.957 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -32.815 -17.203 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -33.570 -18.731 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -31.424 -19.470 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -30.677 -17.961 -7.191 1.00 0.00 H new ATOM 113 N ALA A 12 -32.163 -15.283 -8.154 1.00 0.00 N ATOM 114 CA ALA A 12 -31.229 -14.229 -8.508 1.00 0.00 C ATOM 115 C ALA A 12 -30.136 -14.143 -7.441 1.00 0.00 C ATOM 116 O ALA A 12 -30.259 -14.737 -6.371 1.00 0.00 O ATOM 117 CB ALA A 12 -31.986 -12.910 -8.674 1.00 0.00 C ATOM 0 H ALA A 12 -32.825 -15.037 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 12 -30.745 -14.449 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -31.285 -12.119 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -32.731 -13.015 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -32.483 -12.655 -7.738 1.00 0.00 H new ATOM 123 N GLY A 13 -29.090 -13.398 -7.769 1.00 0.00 N ATOM 124 CA GLY A 13 -27.976 -13.227 -6.852 1.00 0.00 C ATOM 125 C GLY A 13 -27.523 -11.766 -6.807 1.00 0.00 C ATOM 126 O GLY A 13 -28.204 -10.919 -6.232 1.00 0.00 O ATOM 0 H GLY A 13 -28.991 -12.906 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -28.269 -13.552 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -27.145 -13.860 -7.162 1.00 0.00 H new ATOM 130 N GLY A 14 -26.376 -11.516 -7.421 1.00 0.00 N ATOM 131 CA GLY A 14 -25.823 -10.173 -7.458 1.00 0.00 C ATOM 132 C GLY A 14 -24.454 -10.161 -8.140 1.00 0.00 C ATOM 133 O GLY A 14 -24.346 -9.815 -9.316 1.00 0.00 O ATOM 0 H GLY A 14 -25.814 -12.222 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -26.504 -9.510 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -25.731 -9.786 -6.443 1.00 0.00 H new ATOM 137 N GLY A 15 -23.443 -10.544 -7.374 1.00 0.00 N ATOM 138 CA GLY A 15 -22.086 -10.582 -7.891 1.00 0.00 C ATOM 139 C GLY A 15 -21.276 -9.383 -7.394 1.00 0.00 C ATOM 140 O GLY A 15 -21.751 -8.249 -7.434 1.00 0.00 O ATOM 0 H GLY A 15 -23.537 -10.831 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.601 -11.507 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.108 -10.584 -8.981 1.00 0.00 H new ATOM 144 N ILE A 16 -20.067 -9.674 -6.936 1.00 0.00 N ATOM 145 CA ILE A 16 -19.187 -8.634 -6.431 1.00 0.00 C ATOM 146 C ILE A 16 -18.183 -8.250 -7.520 1.00 0.00 C ATOM 147 O ILE A 16 -17.283 -9.025 -7.841 1.00 0.00 O ATOM 148 CB ILE A 16 -18.535 -9.074 -5.119 1.00 0.00 C ATOM 149 CG1 ILE A 16 -19.592 -9.369 -4.053 1.00 0.00 C ATOM 150 CG2 ILE A 16 -17.512 -8.041 -4.642 1.00 0.00 C ATOM 151 CD1 ILE A 16 -19.286 -10.680 -3.326 1.00 0.00 C ATOM 0 H ILE A 16 -19.676 -10.616 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 16 -19.756 -7.736 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.994 -10.003 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -19.627 -8.550 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -20.576 -9.428 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.063 -8.378 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.734 -7.924 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -18.009 -7.084 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -20.052 -10.866 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -19.275 -11.500 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -18.312 -10.609 -2.842 1.00 0.00 H new ATOM 163 N ARG A 17 -18.369 -7.053 -8.057 1.00 0.00 N ATOM 164 CA ARG A 17 -17.490 -6.557 -9.102 1.00 0.00 C ATOM 165 C ARG A 17 -16.038 -6.559 -8.620 1.00 0.00 C ATOM 166 O ARG A 17 -15.766 -6.265 -7.457 1.00 0.00 O ATOM 167 CB ARG A 17 -17.879 -5.138 -9.521 1.00 0.00 C ATOM 168 CG ARG A 17 -17.947 -5.015 -11.044 1.00 0.00 C ATOM 169 CD ARG A 17 -17.211 -3.764 -11.527 1.00 0.00 C ATOM 170 NE ARG A 17 -18.122 -2.917 -12.329 1.00 0.00 N ATOM 171 CZ ARG A 17 -18.424 -3.146 -13.614 1.00 0.00 C ATOM 172 NH1 ARG A 17 -17.888 -4.196 -14.251 1.00 0.00 N ATOM 173 NH2 ARG A 17 -19.261 -2.324 -14.262 1.00 0.00 N ATOM 0 H ARG A 17 -19.116 -6.412 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.592 -7.219 -9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.845 -4.879 -9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.153 -4.427 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.507 -5.900 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.989 -4.974 -11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.836 -3.201 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.346 -4.050 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.546 -2.108 -11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.250 -4.821 -13.758 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.118 -4.371 -15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.668 -1.524 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.491 -2.498 -15.240 1.00 0.00 H new ATOM 187 N LYS A 18 -15.144 -6.895 -9.538 1.00 0.00 N ATOM 188 CA LYS A 18 -13.726 -6.939 -9.222 1.00 0.00 C ATOM 189 C LYS A 18 -12.964 -6.025 -10.183 1.00 0.00 C ATOM 190 O LYS A 18 -12.200 -6.500 -11.021 1.00 0.00 O ATOM 191 CB LYS A 18 -13.223 -8.384 -9.218 1.00 0.00 C ATOM 192 CG LYS A 18 -11.802 -8.468 -8.658 1.00 0.00 C ATOM 193 CD LYS A 18 -11.494 -9.880 -8.155 1.00 0.00 C ATOM 194 CE LYS A 18 -10.651 -10.653 -9.171 1.00 0.00 C ATOM 195 NZ LYS A 18 -11.517 -11.270 -10.200 1.00 0.00 N ATOM 0 H LYS A 18 -15.374 -7.139 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.548 -6.561 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.891 -9.004 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.242 -8.782 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.086 -8.189 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.686 -7.754 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.963 -9.823 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.425 -10.415 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.935 -9.981 -9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.074 -11.425 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.929 -11.791 -10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.183 -11.926 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.048 -10.527 -10.698 1.00 0.00 H new ATOM 209 N ARG A 19 -13.200 -4.730 -10.030 1.00 0.00 N ATOM 210 CA ARG A 19 -12.545 -3.746 -10.874 1.00 0.00 C ATOM 211 C ARG A 19 -12.483 -2.393 -10.162 1.00 0.00 C ATOM 212 O ARG A 19 -13.466 -1.654 -10.140 1.00 0.00 O ATOM 213 CB ARG A 19 -13.284 -3.581 -12.204 1.00 0.00 C ATOM 214 CG ARG A 19 -12.821 -4.626 -13.221 1.00 0.00 C ATOM 215 CD ARG A 19 -13.296 -4.267 -14.630 1.00 0.00 C ATOM 216 NE ARG A 19 -13.338 -5.481 -15.475 1.00 0.00 N ATOM 217 CZ ARG A 19 -12.258 -6.048 -16.031 1.00 0.00 C ATOM 218 NH1 ARG A 19 -11.046 -5.513 -15.835 1.00 0.00 N ATOM 219 NH2 ARG A 19 -12.391 -7.149 -16.783 1.00 0.00 N ATOM 0 H ARG A 19 -13.836 -4.340 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.534 -4.102 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -14.358 -3.677 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.109 -2.581 -12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.733 -4.696 -13.207 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -13.207 -5.606 -12.942 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.285 -3.812 -14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.626 -3.530 -15.072 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.246 -5.914 -15.645 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.945 -4.675 -15.263 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.224 -5.944 -16.258 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.314 -7.556 -16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.569 -7.580 -17.206 1.00 0.00 H new ATOM 233 N HIS A 20 -11.319 -2.109 -9.598 1.00 0.00 N ATOM 234 CA HIS A 20 -11.116 -0.858 -8.887 1.00 0.00 C ATOM 235 C HIS A 20 -10.062 -0.020 -9.613 1.00 0.00 C ATOM 236 O HIS A 20 -10.352 1.082 -10.076 1.00 0.00 O ATOM 237 CB HIS A 20 -10.761 -1.118 -7.421 1.00 0.00 C ATOM 238 CG HIS A 20 -11.690 -0.450 -6.437 1.00 0.00 C ATOM 239 ND1 HIS A 20 -11.398 0.760 -5.831 1.00 0.00 N ATOM 240 CD2 HIS A 20 -12.909 -0.835 -5.959 1.00 0.00 C ATOM 241 CE1 HIS A 20 -12.402 1.079 -5.027 1.00 0.00 C ATOM 242 NE2 HIS A 20 -13.337 0.089 -5.107 1.00 0.00 N ATOM 0 H HIS A 20 -10.506 -2.724 -9.619 1.00 0.00 H new ATOM 0 HA HIS A 20 -12.043 -0.285 -8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.769 -2.193 -7.241 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.744 -0.772 -7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -13.436 -1.738 -6.228 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.468 1.967 -4.416 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -14.220 0.063 -4.596 1.00 0.00 H new ATOM 250 N ARG A 21 -8.861 -0.575 -9.690 1.00 0.00 N ATOM 251 CA ARG A 21 -7.763 0.108 -10.352 1.00 0.00 C ATOM 252 C ARG A 21 -7.553 1.495 -9.740 1.00 0.00 C ATOM 253 O ARG A 21 -8.235 2.450 -10.109 1.00 0.00 O ATOM 254 CB ARG A 21 -8.030 0.255 -11.852 1.00 0.00 C ATOM 255 CG ARG A 21 -6.746 0.610 -12.604 1.00 0.00 C ATOM 256 CD ARG A 21 -7.023 1.629 -13.711 1.00 0.00 C ATOM 257 NE ARG A 21 -6.331 1.226 -14.956 1.00 0.00 N ATOM 258 CZ ARG A 21 -6.821 0.340 -15.834 1.00 0.00 C ATOM 259 NH1 ARG A 21 -8.008 -0.240 -15.610 1.00 0.00 N ATOM 260 NH2 ARG A 21 -6.124 0.034 -16.937 1.00 0.00 N ATOM 0 H ARG A 21 -8.625 -1.489 -9.305 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.865 -0.494 -10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.441 -0.675 -12.245 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.779 1.029 -12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.012 1.015 -11.907 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.312 -0.292 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.096 1.702 -13.889 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.684 2.617 -13.400 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.425 1.649 -15.158 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.539 -0.007 -14.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.380 -0.914 -16.279 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.221 0.475 -17.108 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.497 -0.640 -17.605 1.00 0.00 H new ATOM 274 N THR A 22 -6.608 1.561 -8.814 1.00 0.00 N ATOM 275 CA THR A 22 -6.300 2.814 -8.147 1.00 0.00 C ATOM 276 C THR A 22 -5.170 3.543 -8.876 1.00 0.00 C ATOM 277 O THR A 22 -4.396 2.924 -9.605 1.00 0.00 O ATOM 278 CB THR A 22 -5.979 2.505 -6.684 1.00 0.00 C ATOM 279 OG1 THR A 22 -4.570 2.289 -6.676 1.00 0.00 O ATOM 280 CG2 THR A 22 -6.563 1.167 -6.226 1.00 0.00 C ATOM 0 H THR A 22 -6.045 0.766 -8.510 1.00 0.00 H new ATOM 0 HA THR A 22 -7.152 3.494 -8.171 1.00 0.00 H new ATOM 0 HB THR A 22 -6.364 3.305 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.386 1.335 -6.547 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.306 0.997 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.647 1.187 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.152 0.363 -6.836 1.00 0.00 H new ATOM 288 N LYS A 23 -5.111 4.848 -8.656 1.00 0.00 N ATOM 289 CA LYS A 23 -4.088 5.668 -9.283 1.00 0.00 C ATOM 290 C LYS A 23 -2.769 5.498 -8.526 1.00 0.00 C ATOM 291 O LYS A 23 -2.390 6.358 -7.732 1.00 0.00 O ATOM 292 CB LYS A 23 -4.555 7.121 -9.386 1.00 0.00 C ATOM 293 CG LYS A 23 -4.590 7.583 -10.844 1.00 0.00 C ATOM 294 CD LYS A 23 -3.178 7.859 -11.366 1.00 0.00 C ATOM 295 CE LYS A 23 -3.216 8.764 -12.599 1.00 0.00 C ATOM 296 NZ LYS A 23 -3.106 10.186 -12.203 1.00 0.00 N ATOM 0 H LYS A 23 -5.755 5.358 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.912 5.340 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.547 7.220 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.886 7.763 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.066 6.820 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.196 8.485 -10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.583 8.330 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.689 6.918 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.400 8.504 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.145 8.604 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.133 10.786 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.899 10.435 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.208 10.338 -11.701 1.00 0.00 H new ATOM 310 N PHE A 24 -2.107 4.383 -8.797 1.00 0.00 N ATOM 311 CA PHE A 24 -0.839 4.090 -8.152 1.00 0.00 C ATOM 312 C PHE A 24 0.275 4.985 -8.699 1.00 0.00 C ATOM 313 O PHE A 24 0.609 4.914 -9.881 1.00 0.00 O ATOM 314 CB PHE A 24 -0.505 2.630 -8.465 1.00 0.00 C ATOM 315 CG PHE A 24 -1.682 1.669 -8.284 1.00 0.00 C ATOM 316 CD1 PHE A 24 -1.967 1.168 -7.053 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.443 1.317 -9.355 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.059 0.276 -6.885 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.535 0.426 -9.187 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.820 -0.076 -7.955 1.00 0.00 C ATOM 0 H PHE A 24 -2.425 3.671 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.917 4.269 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.149 2.562 -9.493 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.314 2.310 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.363 1.448 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.216 1.715 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.285 -0.123 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.140 0.147 -10.037 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.651 -0.754 -7.827 1.00 0.00 H new ATOM 330 N THR A 25 0.820 5.806 -7.813 1.00 0.00 N ATOM 331 CA THR A 25 1.889 6.713 -8.193 1.00 0.00 C ATOM 332 C THR A 25 3.249 6.027 -8.044 1.00 0.00 C ATOM 333 O THR A 25 3.340 4.940 -7.477 1.00 0.00 O ATOM 334 CB THR A 25 1.754 7.982 -7.350 1.00 0.00 C ATOM 335 OG1 THR A 25 3.051 8.569 -7.394 1.00 0.00 O ATOM 336 CG2 THR A 25 1.533 7.679 -5.866 1.00 0.00 C ATOM 0 H THR A 25 0.541 5.862 -6.833 1.00 0.00 H new ATOM 0 HA THR A 25 1.815 6.993 -9.244 1.00 0.00 H new ATOM 0 HB THR A 25 0.924 8.580 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.052 9.399 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.444 8.614 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.619 7.098 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.379 7.109 -5.481 1.00 0.00 H new ATOM 344 N ALA A 26 4.270 6.691 -8.564 1.00 0.00 N ATOM 345 CA ALA A 26 5.621 6.159 -8.497 1.00 0.00 C ATOM 346 C ALA A 26 5.830 5.481 -7.141 1.00 0.00 C ATOM 347 O ALA A 26 6.453 4.423 -7.062 1.00 0.00 O ATOM 348 CB ALA A 26 6.626 7.285 -8.746 1.00 0.00 C ATOM 0 H ALA A 26 4.190 7.593 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 26 5.776 5.406 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.639 6.886 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.454 7.715 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.502 8.058 -7.987 1.00 0.00 H new ATOM 354 N GLU A 27 5.296 6.117 -6.108 1.00 0.00 N ATOM 355 CA GLU A 27 5.417 5.588 -4.761 1.00 0.00 C ATOM 356 C GLU A 27 4.712 4.234 -4.657 1.00 0.00 C ATOM 357 O GLU A 27 5.363 3.200 -4.512 1.00 0.00 O ATOM 358 CB GLU A 27 4.861 6.575 -3.732 1.00 0.00 C ATOM 359 CG GLU A 27 5.797 6.698 -2.528 1.00 0.00 C ATOM 360 CD GLU A 27 5.240 7.683 -1.499 1.00 0.00 C ATOM 361 OE1 GLU A 27 5.509 8.892 -1.667 1.00 0.00 O ATOM 362 OE2 GLU A 27 4.558 7.204 -0.567 1.00 0.00 O ATOM 0 H GLU A 27 4.779 6.993 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 27 6.475 5.443 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.728 7.553 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.877 6.244 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.931 5.720 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.780 7.031 -2.860 1.00 0.00 H new ATOM 369 N GLN A 28 3.390 4.283 -4.734 1.00 0.00 N ATOM 370 CA GLN A 28 2.590 3.074 -4.651 1.00 0.00 C ATOM 371 C GLN A 28 3.107 2.026 -5.638 1.00 0.00 C ATOM 372 O GLN A 28 3.258 0.857 -5.286 1.00 0.00 O ATOM 373 CB GLN A 28 1.110 3.377 -4.898 1.00 0.00 C ATOM 374 CG GLN A 28 0.592 4.423 -3.909 1.00 0.00 C ATOM 375 CD GLN A 28 0.609 3.880 -2.479 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.400 3.467 -1.932 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.809 3.905 -1.905 1.00 0.00 N ATOM 0 H GLN A 28 2.853 5.142 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 28 2.681 2.671 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.974 3.737 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.527 2.461 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.207 5.321 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.423 4.713 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.613 4.264 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.925 3.565 -0.950 1.00 0.00 H new ATOM 386 N LYS A 29 3.365 2.482 -6.855 1.00 0.00 N ATOM 387 CA LYS A 29 3.862 1.599 -7.896 1.00 0.00 C ATOM 388 C LYS A 29 5.160 0.940 -7.423 1.00 0.00 C ATOM 389 O LYS A 29 5.217 -0.278 -7.257 1.00 0.00 O ATOM 390 CB LYS A 29 4.004 2.355 -9.218 1.00 0.00 C ATOM 391 CG LYS A 29 3.096 1.754 -10.293 1.00 0.00 C ATOM 392 CD LYS A 29 3.367 2.390 -11.658 1.00 0.00 C ATOM 393 CE LYS A 29 3.211 3.910 -11.596 1.00 0.00 C ATOM 394 NZ LYS A 29 2.567 4.416 -12.829 1.00 0.00 N ATOM 0 H LYS A 29 3.239 3.452 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 29 3.148 0.798 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.752 3.405 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.041 2.320 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.258 0.678 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.052 1.905 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.375 2.138 -11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.679 1.980 -12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.613 4.185 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.188 4.377 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.469 5.450 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.153 4.170 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.626 3.984 -12.932 1.00 0.00 H new ATOM 408 N GLU A 30 6.169 1.773 -7.219 1.00 0.00 N ATOM 409 CA GLU A 30 7.462 1.287 -6.768 1.00 0.00 C ATOM 410 C GLU A 30 7.303 0.466 -5.487 1.00 0.00 C ATOM 411 O GLU A 30 7.888 -0.608 -5.357 1.00 0.00 O ATOM 412 CB GLU A 30 8.441 2.444 -6.559 1.00 0.00 C ATOM 413 CG GLU A 30 8.854 3.061 -7.897 1.00 0.00 C ATOM 414 CD GLU A 30 10.377 3.151 -8.013 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.958 3.950 -7.248 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.925 2.418 -8.864 1.00 0.00 O ATOM 0 H GLU A 30 6.118 2.782 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 30 7.875 0.641 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.980 3.206 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.325 2.086 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.458 2.460 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.419 4.056 -7.992 1.00 0.00 H new ATOM 423 N ARG A 31 6.508 1.003 -4.573 1.00 0.00 N ATOM 424 CA ARG A 31 6.264 0.333 -3.306 1.00 0.00 C ATOM 425 C ARG A 31 5.878 -1.128 -3.544 1.00 0.00 C ATOM 426 O ARG A 31 6.494 -2.035 -2.986 1.00 0.00 O ATOM 427 CB ARG A 31 5.149 1.027 -2.522 1.00 0.00 C ATOM 428 CG ARG A 31 5.617 2.381 -1.983 1.00 0.00 C ATOM 429 CD ARG A 31 6.087 2.261 -0.532 1.00 0.00 C ATOM 430 NE ARG A 31 7.554 2.067 -0.489 1.00 0.00 N ATOM 431 CZ ARG A 31 8.446 3.038 -0.727 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.027 4.275 -1.027 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.758 2.771 -0.666 1.00 0.00 N ATOM 0 H ARG A 31 6.024 1.894 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 31 7.184 0.379 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.281 1.168 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.832 0.392 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.430 2.762 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.803 3.103 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.814 3.159 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.587 1.423 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 31 7.907 1.137 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.028 4.478 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.707 5.014 -1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.077 1.829 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.438 3.510 -0.847 1.00 0.00 H new ATOM 447 N MET A 32 4.861 -1.311 -4.373 1.00 0.00 N ATOM 448 CA MET A 32 4.385 -2.646 -4.691 1.00 0.00 C ATOM 449 C MET A 32 5.440 -3.432 -5.473 1.00 0.00 C ATOM 450 O MET A 32 5.654 -4.616 -5.216 1.00 0.00 O ATOM 451 CB MET A 32 3.103 -2.548 -5.520 1.00 0.00 C ATOM 452 CG MET A 32 1.963 -1.944 -4.697 1.00 0.00 C ATOM 453 SD MET A 32 0.407 -2.197 -5.533 1.00 0.00 S ATOM 454 CE MET A 32 -0.325 -0.583 -5.321 1.00 0.00 C ATOM 0 H MET A 32 4.353 -0.556 -4.834 1.00 0.00 H new ATOM 0 HA MET A 32 4.185 -3.172 -3.757 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.283 -1.935 -6.403 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.817 -3.539 -5.872 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.933 -2.404 -3.709 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.136 -0.878 -4.548 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.411 -0.667 -5.367 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.033 -0.175 -4.353 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.021 0.081 -6.113 1.00 0.00 H new ATOM 464 N LEU A 33 6.072 -2.741 -6.410 1.00 0.00 N ATOM 465 CA LEU A 33 7.099 -3.359 -7.231 1.00 0.00 C ATOM 466 C LEU A 33 8.191 -3.935 -6.327 1.00 0.00 C ATOM 467 O LEU A 33 8.644 -5.059 -6.534 1.00 0.00 O ATOM 468 CB LEU A 33 7.622 -2.367 -8.272 1.00 0.00 C ATOM 469 CG LEU A 33 7.098 -2.552 -9.698 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.459 -1.264 -10.218 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.204 -3.060 -10.626 1.00 0.00 C ATOM 0 H LEU A 33 5.893 -1.759 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 33 6.683 -4.191 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.371 -1.359 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.710 -2.434 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 33 6.318 -3.313 -9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.095 -1.423 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.626 -0.985 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.200 -0.465 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.806 -3.183 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.022 -2.340 -10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.573 -4.019 -10.262 1.00 0.00 H new ATOM 483 N ALA A 34 8.581 -3.137 -5.343 1.00 0.00 N ATOM 484 CA ALA A 34 9.610 -3.553 -4.406 1.00 0.00 C ATOM 485 C ALA A 34 9.089 -4.723 -3.568 1.00 0.00 C ATOM 486 O ALA A 34 9.853 -5.610 -3.191 1.00 0.00 O ATOM 487 CB ALA A 34 10.030 -2.360 -3.546 1.00 0.00 C ATOM 0 H ALA A 34 8.203 -2.205 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 34 10.496 -3.899 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.802 -2.672 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.421 -1.569 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.167 -1.987 -2.995 1.00 0.00 H new ATOM 493 N LEU A 35 7.792 -4.685 -3.301 1.00 0.00 N ATOM 494 CA LEU A 35 7.160 -5.731 -2.514 1.00 0.00 C ATOM 495 C LEU A 35 7.066 -7.008 -3.352 1.00 0.00 C ATOM 496 O LEU A 35 7.488 -8.076 -2.911 1.00 0.00 O ATOM 497 CB LEU A 35 5.812 -5.252 -1.971 1.00 0.00 C ATOM 498 CG LEU A 35 4.902 -6.333 -1.385 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.516 -6.940 -0.121 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.495 -5.789 -1.134 1.00 0.00 C ATOM 0 H LEU A 35 7.162 -3.947 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 35 7.765 -5.967 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.998 -4.505 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.275 -4.751 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 35 4.810 -7.136 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.849 -7.706 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.480 -7.388 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.657 -6.159 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.869 -6.578 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.546 -4.957 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.065 -5.443 -2.074 1.00 0.00 H new ATOM 512 N ALA A 36 6.512 -6.855 -4.545 1.00 0.00 N ATOM 513 CA ALA A 36 6.358 -7.983 -5.449 1.00 0.00 C ATOM 514 C ALA A 36 7.712 -8.670 -5.635 1.00 0.00 C ATOM 515 O ALA A 36 7.800 -9.897 -5.595 1.00 0.00 O ATOM 516 CB ALA A 36 5.763 -7.499 -6.773 1.00 0.00 C ATOM 0 H ALA A 36 6.164 -5.967 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 36 5.670 -8.718 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.648 -8.345 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.789 -7.045 -6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.428 -6.762 -7.223 1.00 0.00 H new ATOM 522 N GLU A 37 8.734 -7.851 -5.834 1.00 0.00 N ATOM 523 CA GLU A 37 10.079 -8.365 -6.026 1.00 0.00 C ATOM 524 C GLU A 37 10.633 -8.909 -4.707 1.00 0.00 C ATOM 525 O GLU A 37 11.701 -9.517 -4.683 1.00 0.00 O ATOM 526 CB GLU A 37 11.000 -7.288 -6.604 1.00 0.00 C ATOM 527 CG GLU A 37 10.765 -7.115 -8.106 1.00 0.00 C ATOM 528 CD GLU A 37 12.078 -6.832 -8.838 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.522 -5.665 -8.777 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.610 -7.790 -9.441 1.00 0.00 O ATOM 0 H GLU A 37 8.657 -6.834 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 37 10.035 -9.184 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.824 -6.341 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.040 -7.559 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.305 -8.016 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.066 -6.296 -8.276 1.00 0.00 H new ATOM 537 N ARG A 38 9.880 -8.670 -3.643 1.00 0.00 N ATOM 538 CA ARG A 38 10.282 -9.129 -2.324 1.00 0.00 C ATOM 539 C ARG A 38 9.547 -10.422 -1.965 1.00 0.00 C ATOM 540 O ARG A 38 10.167 -11.396 -1.541 1.00 0.00 O ATOM 541 CB ARG A 38 9.988 -8.070 -1.260 1.00 0.00 C ATOM 542 CG ARG A 38 9.779 -8.715 0.112 1.00 0.00 C ATOM 543 CD ARG A 38 10.095 -7.727 1.236 1.00 0.00 C ATOM 544 NE ARG A 38 10.489 -8.461 2.459 1.00 0.00 N ATOM 545 CZ ARG A 38 11.076 -7.892 3.521 1.00 0.00 C ATOM 546 NH1 ARG A 38 11.340 -6.578 3.516 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.399 -8.636 4.587 1.00 0.00 N ATOM 0 H ARG A 38 8.994 -8.165 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 38 11.356 -9.313 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.814 -7.360 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.099 -7.505 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.748 -9.058 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.417 -9.594 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.899 -7.058 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.224 -7.105 1.440 1.00 0.00 H new ATOM 0 HE ARG A 38 10.302 -9.463 2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.094 -6.012 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.787 -6.144 4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.198 -9.636 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.846 -8.203 5.395 1.00 0.00 H new ATOM 561 N ILE A 39 8.235 -10.389 -2.147 1.00 0.00 N ATOM 562 CA ILE A 39 7.409 -11.546 -1.848 1.00 0.00 C ATOM 563 C ILE A 39 7.462 -12.524 -3.024 1.00 0.00 C ATOM 564 O ILE A 39 7.386 -13.736 -2.831 1.00 0.00 O ATOM 565 CB ILE A 39 5.991 -11.110 -1.474 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.307 -10.404 -2.648 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.997 -10.246 -0.212 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.839 -10.113 -2.332 1.00 0.00 C ATOM 0 H ILE A 39 7.724 -9.579 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 39 7.795 -12.074 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 39 5.408 -12.003 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.827 -9.472 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.374 -11.026 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.977 -9.950 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.417 -10.816 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.602 -9.356 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.376 -9.611 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.317 -11.049 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.776 -9.471 -1.454 1.00 0.00 H new ATOM 580 N GLY A 40 7.592 -11.959 -4.215 1.00 0.00 N ATOM 581 CA GLY A 40 7.656 -12.766 -5.422 1.00 0.00 C ATOM 582 C GLY A 40 6.349 -12.676 -6.212 1.00 0.00 C ATOM 583 O GLY A 40 5.988 -13.607 -6.930 1.00 0.00 O ATOM 0 H GLY A 40 7.655 -10.953 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.485 -12.430 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.855 -13.805 -5.159 1.00 0.00 H new ATOM 587 N TRP A 41 5.676 -11.546 -6.053 1.00 0.00 N ATOM 588 CA TRP A 41 4.417 -11.321 -6.743 1.00 0.00 C ATOM 589 C TRP A 41 3.426 -12.391 -6.278 1.00 0.00 C ATOM 590 O TRP A 41 2.658 -12.921 -7.080 1.00 0.00 O ATOM 591 CB TRP A 41 4.617 -11.310 -8.260 1.00 0.00 C ATOM 592 CG TRP A 41 5.762 -10.412 -8.730 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.078 -10.590 -8.550 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.639 -9.179 -9.471 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.809 -9.567 -9.118 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.907 -8.682 -9.696 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.495 -8.507 -9.935 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.151 -7.491 -10.391 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.756 -7.318 -10.628 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.026 -6.804 -10.863 1.00 0.00 C ATOM 0 H TRP A 41 5.979 -10.776 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 41 4.012 -10.340 -6.496 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.805 -12.329 -8.599 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.693 -10.982 -8.736 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.512 -11.429 -8.026 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.825 -9.477 -9.114 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.494 -8.878 -9.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.153 -7.122 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.911 -6.762 -11.006 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.144 -5.879 -11.407 1.00 0.00 H new ATOM 611 N ARG A 42 3.476 -12.676 -4.985 1.00 0.00 N ATOM 612 CA ARG A 42 2.592 -13.673 -4.404 1.00 0.00 C ATOM 613 C ARG A 42 2.132 -13.228 -3.015 1.00 0.00 C ATOM 614 O ARG A 42 2.848 -12.509 -2.320 1.00 0.00 O ATOM 615 CB ARG A 42 3.290 -15.029 -4.293 1.00 0.00 C ATOM 616 CG ARG A 42 2.297 -16.175 -4.494 1.00 0.00 C ATOM 617 CD ARG A 42 2.873 -17.497 -3.981 1.00 0.00 C ATOM 618 NE ARG A 42 1.805 -18.518 -3.903 1.00 0.00 N ATOM 619 CZ ARG A 42 2.030 -19.836 -3.806 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.287 -20.299 -3.774 1.00 0.00 N ATOM 621 NH2 ARG A 42 1.000 -20.689 -3.740 1.00 0.00 N ATOM 0 H ARG A 42 4.114 -12.234 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 42 1.728 -13.775 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.083 -15.096 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.762 -15.120 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.368 -15.952 -3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.052 -16.267 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.667 -17.839 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.320 -17.351 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 42 0.836 -18.199 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.071 -19.649 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.459 -21.302 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.043 -20.336 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.172 -21.692 -3.666 1.00 0.00 H new ATOM 635 N ILE A 43 0.939 -13.675 -2.651 1.00 0.00 N ATOM 636 CA ILE A 43 0.374 -13.332 -1.356 1.00 0.00 C ATOM 637 C ILE A 43 0.121 -14.614 -0.560 1.00 0.00 C ATOM 638 O ILE A 43 -0.317 -15.619 -1.117 1.00 0.00 O ATOM 639 CB ILE A 43 -0.870 -12.459 -1.529 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.533 -11.165 -2.273 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.540 -12.187 -0.181 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.651 -10.785 -3.246 1.00 0.00 C ATOM 0 H ILE A 43 0.348 -14.272 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 43 1.078 -12.732 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.588 -13.005 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.380 -10.358 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.403 -11.288 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.422 -11.564 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.837 -13.132 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.840 -11.671 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.386 -9.862 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.785 -11.583 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.580 -10.639 -2.694 1.00 0.00 H new ATOM 654 N GLN A 44 0.407 -14.536 0.731 1.00 0.00 N ATOM 655 CA GLN A 44 0.215 -15.678 1.610 1.00 0.00 C ATOM 656 C GLN A 44 -0.027 -15.207 3.046 1.00 0.00 C ATOM 657 O GLN A 44 0.030 -14.012 3.329 1.00 0.00 O ATOM 658 CB GLN A 44 1.410 -16.631 1.540 1.00 0.00 C ATOM 659 CG GLN A 44 1.246 -17.631 0.394 1.00 0.00 C ATOM 660 CD GLN A 44 1.493 -19.062 0.877 1.00 0.00 C ATOM 661 OE1 GLN A 44 0.747 -19.615 1.669 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.578 -19.629 0.357 1.00 0.00 N ATOM 0 H GLN A 44 0.770 -13.701 1.190 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.665 -16.226 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.328 -16.060 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.508 -17.167 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.242 -17.552 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.943 -17.388 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.159 -19.110 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.829 -20.583 0.616 1.00 0.00 H new ATOM 671 N ARG A 45 -0.292 -16.173 3.914 1.00 0.00 N ATOM 672 CA ARG A 45 -0.543 -15.872 5.313 1.00 0.00 C ATOM 673 C ARG A 45 0.758 -15.469 6.011 1.00 0.00 C ATOM 674 O ARG A 45 0.743 -15.064 7.173 1.00 0.00 O ATOM 675 CB ARG A 45 -1.149 -17.078 6.035 1.00 0.00 C ATOM 676 CG ARG A 45 -1.513 -16.726 7.479 1.00 0.00 C ATOM 677 CD ARG A 45 -0.542 -17.379 8.464 1.00 0.00 C ATOM 678 NE ARG A 45 -0.312 -16.481 9.618 1.00 0.00 N ATOM 679 CZ ARG A 45 0.608 -16.699 10.568 1.00 0.00 C ATOM 680 NH1 ARG A 45 1.388 -17.786 10.508 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.747 -15.830 11.578 1.00 0.00 N ATOM 0 H ARG A 45 -0.338 -17.164 3.675 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.252 -15.045 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.039 -17.415 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.440 -17.906 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.495 -15.644 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.530 -17.056 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.946 -18.331 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.403 -17.595 7.966 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.890 -15.644 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.282 -18.448 9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.088 -17.952 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.153 -15.002 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.447 -15.996 12.301 1.00 0.00 H new ATOM 695 N GLN A 46 1.851 -15.595 5.274 1.00 0.00 N ATOM 696 CA GLN A 46 3.158 -15.249 5.808 1.00 0.00 C ATOM 697 C GLN A 46 3.488 -13.788 5.496 1.00 0.00 C ATOM 698 O GLN A 46 3.915 -13.043 6.377 1.00 0.00 O ATOM 699 CB GLN A 46 4.238 -16.184 5.262 1.00 0.00 C ATOM 700 CG GLN A 46 3.849 -17.650 5.466 1.00 0.00 C ATOM 701 CD GLN A 46 4.997 -18.438 6.101 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.754 -19.127 5.437 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.082 -18.300 7.421 1.00 0.00 N ATOM 0 H GLN A 46 1.859 -15.932 4.311 1.00 0.00 H new ATOM 0 HA GLN A 46 3.131 -15.372 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.390 -15.989 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.185 -15.982 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.966 -17.711 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.583 -18.096 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.416 -17.707 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.814 -18.787 7.939 1.00 0.00 H new ATOM 712 N ASP A 47 3.279 -13.422 4.240 1.00 0.00 N ATOM 713 CA ASP A 47 3.549 -12.064 3.801 1.00 0.00 C ATOM 714 C ASP A 47 2.484 -11.126 4.373 1.00 0.00 C ATOM 715 O ASP A 47 2.636 -9.906 4.325 1.00 0.00 O ATOM 716 CB ASP A 47 3.502 -11.958 2.275 1.00 0.00 C ATOM 717 CG ASP A 47 4.439 -12.913 1.532 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.453 -13.306 2.147 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.120 -13.227 0.365 1.00 0.00 O ATOM 0 H ASP A 47 2.926 -14.043 3.512 1.00 0.00 H new ATOM 0 HA ASP A 47 4.544 -11.789 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.480 -12.144 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.748 -10.935 1.989 1.00 0.00 H new ATOM 724 N ASP A 48 1.430 -11.731 4.901 1.00 0.00 N ATOM 725 CA ASP A 48 0.341 -10.965 5.481 1.00 0.00 C ATOM 726 C ASP A 48 0.915 -9.800 6.288 1.00 0.00 C ATOM 727 O ASP A 48 0.632 -8.639 5.997 1.00 0.00 O ATOM 728 CB ASP A 48 -0.496 -11.828 6.427 1.00 0.00 C ATOM 729 CG ASP A 48 -1.995 -11.856 6.122 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.377 -11.251 5.097 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.726 -12.481 6.921 1.00 0.00 O ATOM 0 H ASP A 48 1.307 -12.743 4.939 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.289 -10.606 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.115 -12.849 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.355 -11.466 7.445 1.00 0.00 H new ATOM 736 N GLU A 49 1.712 -10.149 7.287 1.00 0.00 N ATOM 737 CA GLU A 49 2.329 -9.147 8.139 1.00 0.00 C ATOM 738 C GLU A 49 2.864 -7.989 7.294 1.00 0.00 C ATOM 739 O GLU A 49 2.807 -6.833 7.711 1.00 0.00 O ATOM 740 CB GLU A 49 3.440 -9.761 8.993 1.00 0.00 C ATOM 741 CG GLU A 49 4.719 -9.950 8.174 1.00 0.00 C ATOM 742 CD GLU A 49 5.655 -10.958 8.845 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.186 -12.089 9.094 1.00 0.00 O ATOM 744 OE2 GLU A 49 6.819 -10.574 9.092 1.00 0.00 O ATOM 0 H GLU A 49 1.945 -11.113 7.526 1.00 0.00 H new ATOM 0 HA GLU A 49 1.569 -8.757 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.644 -9.118 9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.111 -10.722 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.466 -10.295 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.229 -8.993 8.063 1.00 0.00 H new ATOM 751 N VAL A 50 3.370 -8.339 6.120 1.00 0.00 N ATOM 752 CA VAL A 50 3.914 -7.343 5.213 1.00 0.00 C ATOM 753 C VAL A 50 2.776 -6.730 4.394 1.00 0.00 C ATOM 754 O VAL A 50 2.788 -5.534 4.107 1.00 0.00 O ATOM 755 CB VAL A 50 5.006 -7.969 4.343 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.863 -6.890 3.679 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.871 -8.932 5.158 1.00 0.00 C ATOM 0 H VAL A 50 3.414 -9.298 5.776 1.00 0.00 H new ATOM 0 HA VAL A 50 4.385 -6.534 5.772 1.00 0.00 H new ATOM 0 HB VAL A 50 4.519 -8.542 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.631 -7.362 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.233 -6.261 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.336 -6.278 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.639 -9.363 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.344 -8.391 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.247 -9.729 5.562 1.00 0.00 H new ATOM 767 N ILE A 51 1.820 -7.577 4.041 1.00 0.00 N ATOM 768 CA ILE A 51 0.677 -7.133 3.262 1.00 0.00 C ATOM 769 C ILE A 51 -0.123 -6.112 4.073 1.00 0.00 C ATOM 770 O ILE A 51 -0.313 -4.978 3.636 1.00 0.00 O ATOM 771 CB ILE A 51 -0.150 -8.331 2.794 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.700 -9.294 1.962 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.401 -7.874 2.041 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.622 -8.948 0.474 1.00 0.00 C ATOM 0 H ILE A 51 1.814 -8.569 4.280 1.00 0.00 H new ATOM 0 HA ILE A 51 1.008 -6.629 2.354 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.486 -8.878 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.737 -9.250 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.357 -10.317 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.971 -8.746 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.017 -7.260 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.108 -7.290 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.235 -9.647 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.413 -9.016 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.988 -7.934 0.317 1.00 0.00 H new ATOM 786 N GLN A 52 -0.570 -6.551 5.240 1.00 0.00 N ATOM 787 CA GLN A 52 -1.345 -5.689 6.117 1.00 0.00 C ATOM 788 C GLN A 52 -0.515 -4.475 6.537 1.00 0.00 C ATOM 789 O GLN A 52 -1.058 -3.393 6.754 1.00 0.00 O ATOM 790 CB GLN A 52 -1.847 -6.460 7.339 1.00 0.00 C ATOM 791 CG GLN A 52 -2.719 -7.645 6.920 1.00 0.00 C ATOM 792 CD GLN A 52 -3.582 -8.131 8.087 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.115 -8.336 9.195 1.00 0.00 O ATOM 794 NE2 GLN A 52 -4.864 -8.302 7.776 1.00 0.00 N ATOM 0 H GLN A 52 -0.411 -7.492 5.599 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.218 -5.335 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.998 -6.817 7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.419 -5.793 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.359 -7.354 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.087 -8.460 6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.189 -8.112 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.522 -8.623 8.486 1.00 0.00 H new ATOM 803 N ARG A 53 0.787 -4.695 6.639 1.00 0.00 N ATOM 804 CA ARG A 53 1.698 -3.632 7.030 1.00 0.00 C ATOM 805 C ARG A 53 1.887 -2.645 5.876 1.00 0.00 C ATOM 806 O ARG A 53 1.764 -1.435 6.063 1.00 0.00 O ATOM 807 CB ARG A 53 3.060 -4.196 7.438 1.00 0.00 C ATOM 808 CG ARG A 53 4.104 -3.082 7.546 1.00 0.00 C ATOM 809 CD ARG A 53 3.705 -2.059 8.611 1.00 0.00 C ATOM 810 NE ARG A 53 4.308 -2.421 9.913 1.00 0.00 N ATOM 811 CZ ARG A 53 3.733 -3.239 10.806 1.00 0.00 C ATOM 812 NH1 ARG A 53 2.537 -3.783 10.543 1.00 0.00 N ATOM 813 NH2 ARG A 53 4.353 -3.512 11.962 1.00 0.00 N ATOM 0 H ARG A 53 1.234 -5.594 6.458 1.00 0.00 H new ATOM 0 HA ARG A 53 1.260 -3.117 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.973 -4.712 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.386 -4.935 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.075 -3.511 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.212 -2.585 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.035 -1.064 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.619 -2.021 8.702 1.00 0.00 H new ATOM 0 HE ARG A 53 5.218 -2.023 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.064 -3.575 9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.099 -4.405 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.263 -3.097 12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.915 -4.134 12.641 1.00 0.00 H new ATOM 827 N PHE A 54 2.182 -3.197 4.709 1.00 0.00 N ATOM 828 CA PHE A 54 2.390 -2.380 3.525 1.00 0.00 C ATOM 829 C PHE A 54 1.209 -1.434 3.298 1.00 0.00 C ATOM 830 O PHE A 54 1.398 -0.278 2.924 1.00 0.00 O ATOM 831 CB PHE A 54 2.498 -3.336 2.335 1.00 0.00 C ATOM 832 CG PHE A 54 2.452 -2.641 0.973 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.258 -2.272 0.438 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.606 -2.394 0.297 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.215 -1.627 -0.826 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.563 -1.749 -0.968 1.00 0.00 C ATOM 837 CZ PHE A 54 2.369 -1.379 -1.503 1.00 0.00 C ATOM 0 H PHE A 54 2.282 -4.201 4.557 1.00 0.00 H new ATOM 0 HA PHE A 54 3.289 -1.775 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.430 -3.895 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.686 -4.061 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.342 -2.470 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.554 -2.688 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.266 -1.333 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.479 -1.552 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.337 -0.889 -2.465 1.00 0.00 H new ATOM 847 N CYS A 55 0.016 -1.960 3.535 1.00 0.00 N ATOM 848 CA CYS A 55 -1.195 -1.177 3.361 1.00 0.00 C ATOM 849 C CYS A 55 -1.222 -0.089 4.436 1.00 0.00 C ATOM 850 O CYS A 55 -1.969 0.882 4.323 1.00 0.00 O ATOM 851 CB CYS A 55 -2.448 -2.055 3.407 1.00 0.00 C ATOM 852 SG CYS A 55 -3.948 -1.010 3.320 1.00 0.00 S ATOM 0 H CYS A 55 -0.137 -2.919 3.846 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.192 -0.713 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.438 -2.761 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.457 -2.643 4.325 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.437 -1.052 2.116 1.00 0.00 H new ATOM 858 N GLN A 56 -0.397 -0.286 5.454 1.00 0.00 N ATOM 859 CA GLN A 56 -0.317 0.666 6.548 1.00 0.00 C ATOM 860 C GLN A 56 0.568 1.852 6.156 1.00 0.00 C ATOM 861 O GLN A 56 0.311 2.983 6.563 1.00 0.00 O ATOM 862 CB GLN A 56 0.199 -0.005 7.822 1.00 0.00 C ATOM 863 CG GLN A 56 1.562 0.561 8.227 1.00 0.00 C ATOM 864 CD GLN A 56 1.420 1.967 8.813 1.00 0.00 C ATOM 865 OE1 GLN A 56 2.001 2.928 8.336 1.00 0.00 O ATOM 866 NE2 GLN A 56 0.617 2.033 9.871 1.00 0.00 N ATOM 0 H GLN A 56 0.222 -1.092 5.544 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.320 1.039 6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.516 0.145 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.280 -1.080 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.030 -0.097 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.220 0.590 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.162 1.189 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.457 2.927 10.334 1.00 0.00 H new ATOM 875 N GLU A 57 1.590 1.551 5.369 1.00 0.00 N ATOM 876 CA GLU A 57 2.514 2.578 4.917 1.00 0.00 C ATOM 877 C GLU A 57 1.991 3.236 3.639 1.00 0.00 C ATOM 878 O GLU A 57 2.153 4.440 3.446 1.00 0.00 O ATOM 879 CB GLU A 57 3.914 2.000 4.703 1.00 0.00 C ATOM 880 CG GLU A 57 4.018 1.303 3.345 1.00 0.00 C ATOM 881 CD GLU A 57 5.468 0.929 3.030 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.231 1.857 2.684 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.781 -0.276 3.143 1.00 0.00 O ATOM 0 H GLU A 57 1.799 0.611 5.033 1.00 0.00 H new ATOM 0 HA GLU A 57 2.587 3.341 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.654 2.798 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.144 1.291 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.399 0.406 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.630 1.958 2.565 1.00 0.00 H new ATOM 890 N THR A 58 1.375 2.418 2.798 1.00 0.00 N ATOM 891 CA THR A 58 0.828 2.906 1.544 1.00 0.00 C ATOM 892 C THR A 58 -0.645 3.283 1.715 1.00 0.00 C ATOM 893 O THR A 58 -0.992 4.463 1.710 1.00 0.00 O ATOM 894 CB THR A 58 1.061 1.834 0.478 1.00 0.00 C ATOM 895 OG1 THR A 58 0.369 0.692 0.976 1.00 0.00 O ATOM 896 CG2 THR A 58 2.522 1.383 0.409 1.00 0.00 C ATOM 0 H THR A 58 1.243 1.420 2.961 1.00 0.00 H new ATOM 0 HA THR A 58 1.329 3.819 1.223 1.00 0.00 H new ATOM 0 HB THR A 58 0.753 2.218 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.013 0.061 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.632 0.622 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.155 2.237 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.821 0.969 1.372 1.00 0.00 H new ATOM 904 N GLY A 59 -1.471 2.258 1.864 1.00 0.00 N ATOM 905 CA GLY A 59 -2.899 2.467 2.037 1.00 0.00 C ATOM 906 C GLY A 59 -3.696 1.708 0.974 1.00 0.00 C ATOM 907 O GLY A 59 -4.923 1.788 0.939 1.00 0.00 O ATOM 0 H GLY A 59 -1.179 1.281 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.201 2.134 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.125 3.532 1.975 1.00 0.00 H new ATOM 911 N VAL A 60 -2.967 0.990 0.133 1.00 0.00 N ATOM 912 CA VAL A 60 -3.591 0.218 -0.928 1.00 0.00 C ATOM 913 C VAL A 60 -4.263 -1.018 -0.326 1.00 0.00 C ATOM 914 O VAL A 60 -3.743 -1.617 0.614 1.00 0.00 O ATOM 915 CB VAL A 60 -2.557 -0.128 -2.002 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.145 -1.084 -3.042 1.00 0.00 C ATOM 917 CG2 VAL A 60 -2.012 1.138 -2.666 1.00 0.00 C ATOM 0 H VAL A 60 -1.949 0.926 0.165 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.367 0.804 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.724 -0.635 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.390 -1.314 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.461 -2.005 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.004 -0.615 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.279 0.864 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.831 1.685 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.537 1.768 -1.914 1.00 0.00 H new ATOM 927 N PRO A 61 -5.441 -1.372 -0.907 1.00 0.00 N ATOM 928 CA PRO A 61 -6.190 -2.525 -0.438 1.00 0.00 C ATOM 929 C PRO A 61 -5.533 -3.829 -0.895 1.00 0.00 C ATOM 930 O PRO A 61 -5.047 -3.921 -2.022 1.00 0.00 O ATOM 931 CB PRO A 61 -7.591 -2.338 -0.998 1.00 0.00 C ATOM 932 CG PRO A 61 -7.456 -1.339 -2.135 1.00 0.00 C ATOM 933 CD PRO A 61 -6.088 -0.686 -2.022 1.00 0.00 C ATOM 0 HA PRO A 61 -6.216 -2.596 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.998 -3.284 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.272 -1.968 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.562 -1.840 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.244 -0.588 -2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.517 -0.801 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.174 0.384 -1.832 1.00 0.00 H new ATOM 941 N ARG A 62 -5.539 -4.804 0.002 1.00 0.00 N ATOM 942 CA ARG A 62 -4.949 -6.098 -0.295 1.00 0.00 C ATOM 943 C ARG A 62 -5.455 -6.615 -1.644 1.00 0.00 C ATOM 944 O ARG A 62 -4.661 -6.948 -2.522 1.00 0.00 O ATOM 945 CB ARG A 62 -5.286 -7.119 0.793 1.00 0.00 C ATOM 946 CG ARG A 62 -4.776 -8.511 0.415 1.00 0.00 C ATOM 947 CD ARG A 62 -4.890 -9.477 1.596 1.00 0.00 C ATOM 948 NE ARG A 62 -5.522 -10.741 1.158 1.00 0.00 N ATOM 949 CZ ARG A 62 -5.976 -11.684 1.994 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.871 -11.511 3.319 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.535 -12.800 1.507 1.00 0.00 N ATOM 0 H ARG A 62 -5.943 -4.724 0.935 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.867 -5.969 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.841 -6.809 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.365 -7.152 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.348 -8.895 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.737 -8.446 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.901 -9.679 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.480 -9.023 2.392 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.618 -10.905 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.446 -10.662 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.217 -12.229 3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.615 -12.932 0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.880 -13.517 2.144 1.00 0.00 H new ATOM 965 N GLN A 63 -6.773 -6.665 -1.766 1.00 0.00 N ATOM 966 CA GLN A 63 -7.394 -7.135 -2.992 1.00 0.00 C ATOM 967 C GLN A 63 -6.759 -6.452 -4.205 1.00 0.00 C ATOM 968 O GLN A 63 -6.661 -7.047 -5.277 1.00 0.00 O ATOM 969 CB GLN A 63 -8.907 -6.907 -2.964 1.00 0.00 C ATOM 970 CG GLN A 63 -9.603 -7.707 -4.066 1.00 0.00 C ATOM 971 CD GLN A 63 -10.335 -6.779 -5.038 1.00 0.00 C ATOM 972 OE1 GLN A 63 -9.915 -5.667 -5.311 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.451 -7.297 -5.543 1.00 0.00 N ATOM 0 H GLN A 63 -7.428 -6.388 -1.035 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.223 -8.208 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.304 -7.199 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.121 -5.846 -3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.868 -8.301 -4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.312 -8.406 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -11.746 -8.235 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.012 -6.756 -6.201 1.00 0.00 H new ATOM 982 N VAL A 64 -6.343 -5.211 -3.994 1.00 0.00 N ATOM 983 CA VAL A 64 -5.720 -4.441 -5.057 1.00 0.00 C ATOM 984 C VAL A 64 -4.259 -4.870 -5.203 1.00 0.00 C ATOM 985 O VAL A 64 -3.795 -5.138 -6.310 1.00 0.00 O ATOM 986 CB VAL A 64 -5.879 -2.944 -4.780 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.730 -2.147 -5.401 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.233 -2.435 -5.278 1.00 0.00 C ATOM 0 H VAL A 64 -6.425 -4.721 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.212 -4.636 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.843 -2.797 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.867 -1.086 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.784 -2.482 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.720 -2.304 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.320 -1.369 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.312 -2.602 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.033 -2.971 -4.768 1.00 0.00 H new ATOM 998 N LEU A 65 -3.575 -4.922 -4.069 1.00 0.00 N ATOM 999 CA LEU A 65 -2.176 -5.314 -4.057 1.00 0.00 C ATOM 1000 C LEU A 65 -2.033 -6.698 -4.694 1.00 0.00 C ATOM 1001 O LEU A 65 -0.959 -7.056 -5.174 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.607 -5.228 -2.639 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.095 -5.420 -2.510 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.305 -6.859 -2.840 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.662 -4.404 -3.367 1.00 0.00 C ATOM 0 H LEU A 65 -3.964 -4.699 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.582 -4.624 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.866 -4.254 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.102 -5.979 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 65 0.185 -5.238 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.385 -6.968 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.194 -7.542 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.009 -7.093 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.735 -4.563 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.382 -4.530 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.409 -3.394 -3.043 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.131 -7.438 -4.676 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.142 -8.775 -5.246 1.00 0.00 C ATOM 1019 C LYS A 66 -3.254 -8.675 -6.768 1.00 0.00 C ATOM 1020 O LYS A 66 -2.306 -8.991 -7.486 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.242 -9.623 -4.603 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.602 -10.817 -5.489 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.731 -11.641 -4.866 1.00 0.00 C ATOM 1024 CE LYS A 66 -5.173 -12.719 -3.935 1.00 0.00 C ATOM 1025 NZ LYS A 66 -4.967 -13.985 -4.673 1.00 0.00 N ATOM 0 H LYS A 66 -4.020 -7.138 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.206 -9.289 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.910 -9.977 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.128 -9.010 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.905 -10.465 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.724 -11.446 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.400 -10.985 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.324 -12.107 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.229 -12.384 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.860 -12.883 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.588 -14.706 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.874 -14.312 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.294 -13.828 -5.450 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.420 -8.234 -7.217 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.668 -8.089 -8.641 1.00 0.00 C ATOM 1041 C VAL A 67 -3.562 -7.233 -9.262 1.00 0.00 C ATOM 1042 O VAL A 67 -3.038 -7.565 -10.324 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.068 -7.516 -8.873 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.145 -8.500 -8.413 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.229 -6.163 -8.178 1.00 0.00 C ATOM 0 H VAL A 67 -5.204 -7.972 -6.619 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.643 -9.061 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.193 -7.359 -9.944 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.131 -8.069 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.051 -9.430 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.022 -8.703 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.233 -5.778 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.075 -6.284 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.495 -5.461 -8.573 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.240 -6.148 -8.573 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.206 -5.242 -9.043 1.00 0.00 C ATOM 1057 C TRP A 68 -1.071 -6.084 -9.631 1.00 0.00 C ATOM 1058 O TRP A 68 -0.787 -6.003 -10.825 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.740 -4.311 -7.922 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.665 -3.311 -8.350 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.834 -2.059 -8.798 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.761 -3.529 -8.351 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.374 -1.458 -9.087 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.375 -2.380 -8.807 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.509 -4.661 -7.979 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.763 -2.251 -8.933 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.895 -4.516 -8.111 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.528 -3.366 -8.568 1.00 0.00 C ATOM 0 H TRP A 68 -3.677 -5.876 -7.693 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.594 -4.586 -9.823 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.600 -3.762 -7.539 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.354 -4.914 -7.100 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.795 -1.581 -8.918 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.508 -0.511 -9.441 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.050 -5.570 -7.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.220 -1.341 -9.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.516 -5.357 -7.839 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.605 -3.332 -8.641 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.454 -6.874 -8.764 1.00 0.00 N ATOM 1080 CA LEU A 69 0.644 -7.730 -9.183 1.00 0.00 C ATOM 1081 C LEU A 69 0.286 -8.396 -10.513 1.00 0.00 C ATOM 1082 O LEU A 69 1.114 -8.461 -11.421 1.00 0.00 O ATOM 1083 CB LEU A 69 1.001 -8.722 -8.074 1.00 0.00 C ATOM 1084 CG LEU A 69 1.328 -8.114 -6.709 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.973 -9.081 -5.578 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.789 -7.667 -6.643 1.00 0.00 C ATOM 0 H LEU A 69 -0.693 -6.939 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 69 1.545 -7.140 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.168 -9.414 -7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.858 -9.310 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 69 0.713 -7.224 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.216 -8.624 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.093 -9.307 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.543 -10.003 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.994 -7.239 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.440 -8.526 -6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.975 -6.918 -7.412 1.00 0.00 H new ATOM 1098 N HIS A 70 -0.947 -8.875 -10.586 1.00 0.00 N ATOM 1099 CA HIS A 70 -1.423 -9.534 -11.790 1.00 0.00 C ATOM 1100 C HIS A 70 -1.571 -8.507 -12.913 1.00 0.00 C ATOM 1101 O HIS A 70 -1.272 -8.799 -14.070 1.00 0.00 O ATOM 1102 CB HIS A 70 -2.718 -10.301 -11.513 1.00 0.00 C ATOM 1103 CG HIS A 70 -3.024 -11.377 -12.527 1.00 0.00 C ATOM 1104 ND1 HIS A 70 -2.586 -12.683 -12.389 1.00 0.00 N ATOM 1105 CD2 HIS A 70 -3.727 -11.328 -13.695 1.00 0.00 C ATOM 1106 CE1 HIS A 70 -3.012 -13.379 -13.433 1.00 0.00 C ATOM 1107 NE2 HIS A 70 -3.719 -12.538 -14.241 1.00 0.00 N ATOM 0 H HIS A 70 -1.631 -8.820 -9.831 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.693 -10.275 -12.117 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.654 -10.755 -10.524 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.548 -9.595 -11.486 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.209 -10.453 -14.106 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.831 -14.428 -13.613 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.168 -12.796 -15.120 1.00 0.00 H new ATOM 1115 N ASN A 71 -2.033 -7.324 -12.533 1.00 0.00 N ATOM 1116 CA ASN A 71 -2.224 -6.251 -13.494 1.00 0.00 C ATOM 1117 C ASN A 71 -0.859 -5.747 -13.967 1.00 0.00 C ATOM 1118 O ASN A 71 -0.759 -5.102 -15.010 1.00 0.00 O ATOM 1119 CB ASN A 71 -2.971 -5.074 -12.864 1.00 0.00 C ATOM 1120 CG ASN A 71 -4.403 -4.986 -13.394 1.00 0.00 C ATOM 1121 OD1 ASN A 71 -4.648 -4.675 -14.548 1.00 0.00 O ATOM 1122 ND2 ASN A 71 -5.333 -5.277 -12.489 1.00 0.00 N ATOM 0 H ASN A 71 -2.281 -7.085 -11.573 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.807 -6.644 -14.327 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.987 -5.187 -11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.442 -4.146 -13.080 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.320 -5.247 -12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.059 -5.530 -11.540 1.00 0.00 H new ATOM 1129 N ASN A 72 0.158 -6.060 -13.178 1.00 0.00 N ATOM 1130 CA ASN A 72 1.512 -5.646 -13.503 1.00 0.00 C ATOM 1131 C ASN A 72 2.243 -6.802 -14.188 1.00 0.00 C ATOM 1132 O ASN A 72 2.515 -6.747 -15.387 1.00 0.00 O ATOM 1133 CB ASN A 72 2.293 -5.276 -12.240 1.00 0.00 C ATOM 1134 CG ASN A 72 1.890 -3.889 -11.734 1.00 0.00 C ATOM 1135 OD1 ASN A 72 2.640 -2.930 -11.811 1.00 0.00 O ATOM 1136 ND2 ASN A 72 0.668 -3.837 -11.213 1.00 0.00 N ATOM 0 H ASN A 72 0.071 -6.596 -12.314 1.00 0.00 H new ATOM 0 HA ASN A 72 1.451 -4.776 -14.157 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.109 -6.018 -11.463 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.362 -5.294 -12.451 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.307 -2.956 -10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.092 -4.678 -11.179 1.00 0.00 H new ATOM 1143 N LYS A 73 2.541 -7.823 -13.398 1.00 0.00 N ATOM 1144 CA LYS A 73 3.235 -8.991 -13.914 1.00 0.00 C ATOM 1145 C LYS A 73 2.485 -9.527 -15.135 1.00 0.00 C ATOM 1146 O LYS A 73 1.438 -8.999 -15.506 1.00 0.00 O ATOM 1147 CB LYS A 73 3.432 -10.030 -12.808 1.00 0.00 C ATOM 1148 CG LYS A 73 2.196 -10.921 -12.667 1.00 0.00 C ATOM 1149 CD LYS A 73 1.965 -11.310 -11.205 1.00 0.00 C ATOM 1150 CE LYS A 73 2.791 -12.542 -10.829 1.00 0.00 C ATOM 1151 NZ LYS A 73 2.175 -13.249 -9.684 1.00 0.00 N ATOM 0 H LYS A 73 2.315 -7.866 -12.404 1.00 0.00 H new ATOM 0 HA LYS A 73 4.237 -8.722 -14.248 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.304 -10.644 -13.032 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.632 -9.526 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.320 -10.398 -13.051 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.320 -11.820 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.233 -10.476 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.907 -11.513 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.862 -13.215 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.808 -12.242 -10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.471 -14.246 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.482 -12.804 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.139 -13.195 -9.759 1.00 0.00 H new ATOM 1165 N HIS A 74 3.050 -10.570 -15.726 1.00 0.00 N ATOM 1166 CA HIS A 74 2.447 -11.183 -16.897 1.00 0.00 C ATOM 1167 C HIS A 74 2.535 -12.706 -16.781 1.00 0.00 C ATOM 1168 O HIS A 74 3.602 -13.287 -16.978 1.00 0.00 O ATOM 1169 CB HIS A 74 3.087 -10.648 -18.180 1.00 0.00 C ATOM 1170 CG HIS A 74 2.402 -9.427 -18.744 1.00 0.00 C ATOM 1171 ND1 HIS A 74 1.362 -9.503 -19.654 1.00 0.00 N ATOM 1172 CD2 HIS A 74 2.618 -8.099 -18.517 1.00 0.00 C ATOM 1173 CE1 HIS A 74 0.978 -8.271 -19.955 1.00 0.00 C ATOM 1174 NE2 HIS A 74 1.758 -7.403 -19.250 1.00 0.00 N ATOM 0 H HIS A 74 3.919 -11.006 -15.416 1.00 0.00 H new ATOM 0 HA HIS A 74 1.391 -10.918 -16.949 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.131 -10.407 -17.980 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.081 -11.436 -18.933 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.363 -7.685 -17.853 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.186 -8.002 -20.639 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.691 -6.386 -19.281 1.00 0.00 H new ATOM 1182 N SER A 75 1.400 -13.310 -16.462 1.00 0.00 N ATOM 1183 CA SER A 75 1.335 -14.755 -16.318 1.00 0.00 C ATOM 1184 C SER A 75 -0.115 -15.228 -16.433 1.00 0.00 C ATOM 1185 O SER A 75 -0.811 -15.359 -15.428 1.00 0.00 O ATOM 1186 CB SER A 75 1.935 -15.202 -14.983 1.00 0.00 C ATOM 1187 OG SER A 75 2.452 -16.528 -15.048 1.00 0.00 O ATOM 0 H SER A 75 0.517 -12.825 -16.299 1.00 0.00 H new ATOM 0 HA SER A 75 1.921 -15.206 -17.119 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.732 -14.516 -14.696 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.172 -15.148 -14.206 1.00 0.00 H new ATOM 0 HG SER A 75 2.828 -16.776 -14.177 1.00 0.00 H new ATOM 1193 N GLY A 76 -0.528 -15.471 -17.669 1.00 0.00 N ATOM 1194 CA GLY A 76 -1.883 -15.926 -17.929 1.00 0.00 C ATOM 1195 C GLY A 76 -2.575 -15.029 -18.957 1.00 0.00 C ATOM 1196 O GLY A 76 -2.091 -13.940 -19.262 1.00 0.00 O ATOM 0 H GLY A 76 0.052 -15.361 -18.501 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.862 -16.953 -18.293 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.454 -15.929 -17.001 1.00 0.00 H new ATOM 1200 N PRO A 77 -3.727 -15.532 -19.476 1.00 0.00 N ATOM 1201 CA PRO A 77 -4.491 -14.789 -20.463 1.00 0.00 C ATOM 1202 C PRO A 77 -5.249 -13.631 -19.811 1.00 0.00 C ATOM 1203 O PRO A 77 -5.712 -13.748 -18.677 1.00 0.00 O ATOM 1204 CB PRO A 77 -5.410 -15.815 -21.105 1.00 0.00 C ATOM 1205 CG PRO A 77 -5.460 -16.990 -20.141 1.00 0.00 C ATOM 1206 CD PRO A 77 -4.330 -16.818 -19.138 1.00 0.00 C ATOM 0 HA PRO A 77 -3.859 -14.316 -21.215 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.405 -15.401 -21.268 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.030 -16.124 -22.079 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.422 -17.024 -19.630 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.352 -17.931 -20.680 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.705 -16.823 -18.114 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.605 -17.628 -19.216 1.00 0.00 H new ATOM 1214 N SER A 78 -5.354 -12.540 -20.556 1.00 0.00 N ATOM 1215 CA SER A 78 -6.049 -11.363 -20.064 1.00 0.00 C ATOM 1216 C SER A 78 -6.502 -10.494 -21.239 1.00 0.00 C ATOM 1217 O SER A 78 -5.817 -10.414 -22.257 1.00 0.00 O ATOM 1218 CB SER A 78 -5.160 -10.553 -19.118 1.00 0.00 C ATOM 1219 OG SER A 78 -4.269 -9.695 -19.825 1.00 0.00 O ATOM 0 H SER A 78 -4.969 -12.447 -21.496 1.00 0.00 H new ATOM 0 HA SER A 78 -6.924 -11.692 -19.504 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.786 -9.957 -18.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.585 -11.233 -18.489 1.00 0.00 H new ATOM 0 HG SER A 78 -3.720 -9.194 -19.185 1.00 0.00 H new ATOM 1225 N SER A 79 -7.654 -9.865 -21.059 1.00 0.00 N ATOM 1226 CA SER A 79 -8.207 -9.005 -22.092 1.00 0.00 C ATOM 1227 C SER A 79 -9.064 -7.909 -21.456 1.00 0.00 C ATOM 1228 O SER A 79 -9.972 -8.198 -20.679 1.00 0.00 O ATOM 1229 CB SER A 79 -9.034 -9.811 -23.095 1.00 0.00 C ATOM 1230 OG SER A 79 -8.224 -10.689 -23.872 1.00 0.00 O ATOM 0 H SER A 79 -8.220 -9.934 -20.213 1.00 0.00 H new ATOM 0 HA SER A 79 -7.380 -8.544 -22.632 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.787 -10.390 -22.561 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.567 -9.128 -23.757 1.00 0.00 H new ATOM 0 HG SER A 79 -7.294 -10.629 -23.570 1.00 0.00 H new ATOM 1236 N GLY A 80 -8.746 -6.672 -21.811 1.00 0.00 N ATOM 1237 CA GLY A 80 -9.475 -5.531 -21.285 1.00 0.00 C ATOM 1238 C GLY A 80 -10.875 -5.446 -21.897 1.00 0.00 C ATOM 1239 O GLY A 80 -11.610 -4.492 -21.645 1.00 0.00 O ATOM 0 H GLY A 80 -7.993 -6.436 -22.457 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.552 -5.613 -20.201 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.925 -4.614 -21.497 1.00 0.00 H new TER 1243 GLY A 80