USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 797 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 43 HIS : no HD1:sc= -0.666 X(o=-0.63,f=-0.81) USER MOD Set 1.2: A 88 TYR OH : rot 172:sc= 0.0318 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0123) USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= 0.0261 (180deg=-0.0163) USER MOD Single : A 5 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= 0.0077 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.149 (180deg=-0.601) USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= -0.099 (180deg=-1.37) USER MOD Single : A 25 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.45) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.00433) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -0.36 (180deg=-1.25!) USER MOD Single : A 41 MET CE :methyl 154:sc= -2.53 (180deg=-4.34!) USER MOD Single : A 42 GLN : amide:sc= -0.0654 K(o=-0.065,f=-1.5!) USER MOD Single : A 44 ASN : amide:sc=-0.00799 K(o=-0.008,f=-1.6) USER MOD Single : A 51 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 52 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.41) USER MOD Single : A 53 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.32) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.469 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -30:sc= 0.0364 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0435 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -63.087 -18.167 -10.736 1.00 0.00 N ATOM 2 CA MET A 1 -62.778 -19.260 -9.819 1.00 0.00 C ATOM 3 C MET A 1 -61.428 -19.889 -10.153 1.00 0.00 C ATOM 4 O MET A 1 -61.259 -20.495 -11.211 1.00 0.00 O ATOM 5 CB MET A 1 -63.876 -20.323 -9.873 1.00 0.00 C ATOM 6 CG MET A 1 -65.161 -19.906 -9.177 1.00 0.00 C ATOM 7 SD MET A 1 -66.638 -20.397 -10.089 1.00 0.00 S ATOM 8 CE MET A 1 -67.390 -21.537 -8.929 1.00 0.00 C ATOM 0 H1 MET A 1 -63.958 -17.691 -10.427 1.00 0.00 H new ATOM 0 H2 MET A 1 -62.302 -17.485 -10.740 1.00 0.00 H new ATOM 0 H3 MET A 1 -63.221 -18.546 -11.695 1.00 0.00 H new ATOM 0 HA MET A 1 -62.726 -18.850 -8.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 -64.096 -20.554 -10.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 -63.505 -21.240 -9.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 -65.190 -20.348 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 1 -65.163 -18.824 -9.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 -68.316 -21.927 -9.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 -66.705 -22.362 -8.733 1.00 0.00 H new ATOM 0 HE3 MET A 1 -67.607 -21.017 -7.996 1.00 0.00 H new ATOM 18 N ALA A 2 -60.470 -19.740 -9.244 1.00 0.00 N ATOM 19 CA ALA A 2 -59.136 -20.293 -9.441 1.00 0.00 C ATOM 20 C ALA A 2 -58.282 -20.122 -8.190 1.00 0.00 C ATOM 21 O ALA A 2 -58.235 -19.042 -7.601 1.00 0.00 O ATOM 22 CB ALA A 2 -58.463 -19.634 -10.635 1.00 0.00 C ATOM 0 H ALA A 2 -60.593 -19.240 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 2 -59.237 -21.360 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -57.467 -20.057 -10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -59.057 -19.811 -11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -58.381 -18.561 -10.460 1.00 0.00 H new ATOM 28 N ALA A 3 -57.607 -21.195 -7.788 1.00 0.00 N ATOM 29 CA ALA A 3 -56.755 -21.162 -6.606 1.00 0.00 C ATOM 30 C ALA A 3 -55.293 -20.946 -6.986 1.00 0.00 C ATOM 31 O ALA A 3 -54.766 -19.841 -6.859 1.00 0.00 O ATOM 32 CB ALA A 3 -56.911 -22.448 -5.808 1.00 0.00 C ATOM 0 H ALA A 3 -57.634 -22.097 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 3 -57.068 -20.322 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -56.269 -22.410 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -57.949 -22.559 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -56.626 -23.298 -6.428 1.00 0.00 H new ATOM 38 N LYS A 4 -54.643 -22.008 -7.451 1.00 0.00 N ATOM 39 CA LYS A 4 -53.242 -21.933 -7.849 1.00 0.00 C ATOM 40 C LYS A 4 -52.367 -21.496 -6.678 1.00 0.00 C ATOM 41 O LYS A 4 -51.340 -20.844 -6.867 1.00 0.00 O ATOM 42 CB LYS A 4 -53.074 -20.963 -9.020 1.00 0.00 C ATOM 43 CG LYS A 4 -53.151 -21.634 -10.381 1.00 0.00 C ATOM 44 CD LYS A 4 -51.777 -21.756 -11.025 1.00 0.00 C ATOM 45 CE LYS A 4 -50.870 -22.687 -10.236 1.00 0.00 C ATOM 46 NZ LYS A 4 -49.756 -21.950 -9.578 1.00 0.00 N ATOM 0 H LYS A 4 -55.064 -22.930 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 4 -52.925 -22.927 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -53.845 -20.195 -8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -52.113 -20.457 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -53.592 -22.625 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -53.809 -21.060 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -51.884 -22.128 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -51.317 -20.770 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -51.456 -23.210 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -50.460 -23.445 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -48.976 -22.608 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -49.418 -21.196 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -50.095 -21.531 -8.689 1.00 0.00 H new ATOM 60 N GLN A 5 -52.780 -21.860 -5.468 1.00 0.00 N ATOM 61 CA GLN A 5 -52.033 -21.505 -4.266 1.00 0.00 C ATOM 62 C GLN A 5 -50.843 -22.438 -4.069 1.00 0.00 C ATOM 63 O GLN A 5 -50.823 -23.554 -4.590 1.00 0.00 O ATOM 64 CB GLN A 5 -52.946 -21.558 -3.040 1.00 0.00 C ATOM 65 CG GLN A 5 -52.564 -20.565 -1.954 1.00 0.00 C ATOM 66 CD GLN A 5 -52.626 -21.166 -0.563 1.00 0.00 C ATOM 67 OE1 GLN A 5 -52.341 -22.348 -0.372 1.00 0.00 O ATOM 68 NE2 GLN A 5 -53.002 -20.352 0.417 1.00 0.00 N ATOM 0 H GLN A 5 -53.627 -22.400 -5.294 1.00 0.00 H new ATOM 0 HA GLN A 5 -51.658 -20.489 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -53.972 -21.365 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -52.924 -22.565 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -51.555 -20.198 -2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -53.231 -19.704 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -53.229 -19.379 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -53.064 -20.700 1.374 1.00 0.00 H new ATOM 77 N GLY A 6 -49.854 -21.974 -3.312 1.00 0.00 N ATOM 78 CA GLY A 6 -48.674 -22.780 -3.059 1.00 0.00 C ATOM 79 C GLY A 6 -47.513 -22.406 -3.959 1.00 0.00 C ATOM 80 O GLY A 6 -47.642 -22.408 -5.183 1.00 0.00 O ATOM 0 H GLY A 6 -49.849 -21.055 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -48.375 -22.663 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -48.918 -23.832 -3.205 1.00 0.00 H new ATOM 84 N GLU A 7 -46.374 -22.086 -3.351 1.00 0.00 N ATOM 85 CA GLU A 7 -45.185 -21.709 -4.106 1.00 0.00 C ATOM 86 C GLU A 7 -44.470 -22.943 -4.648 1.00 0.00 C ATOM 87 O GLU A 7 -44.152 -23.866 -3.898 1.00 0.00 O ATOM 88 CB GLU A 7 -44.233 -20.899 -3.225 1.00 0.00 C ATOM 89 CG GLU A 7 -44.876 -19.673 -2.598 1.00 0.00 C ATOM 90 CD GLU A 7 -43.961 -18.464 -2.608 1.00 0.00 C ATOM 91 OE1 GLU A 7 -42.727 -18.654 -2.670 1.00 0.00 O ATOM 92 OE2 GLU A 7 -44.477 -17.328 -2.555 1.00 0.00 O ATOM 0 H GLU A 7 -46.250 -22.080 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 7 -45.500 -21.095 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -43.849 -21.542 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -43.378 -20.584 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -45.794 -19.434 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -45.159 -19.901 -1.570 1.00 0.00 H new ATOM 99 N SER A 8 -44.221 -22.952 -5.953 1.00 0.00 N ATOM 100 CA SER A 8 -43.545 -24.073 -6.594 1.00 0.00 C ATOM 101 C SER A 8 -42.041 -24.019 -6.340 1.00 0.00 C ATOM 102 O SER A 8 -41.461 -24.953 -5.786 1.00 0.00 O ATOM 103 CB SER A 8 -43.819 -24.068 -8.099 1.00 0.00 C ATOM 104 OG SER A 8 -43.851 -25.387 -8.617 1.00 0.00 O ATOM 0 H SER A 8 -44.477 -22.195 -6.587 1.00 0.00 H new ATOM 0 HA SER A 8 -43.936 -24.995 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 8 -44.770 -23.573 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 8 -43.048 -23.492 -8.610 1.00 0.00 H new ATOM 0 HG SER A 8 -44.029 -25.356 -9.580 1.00 0.00 H new ATOM 110 N ASP A 9 -41.417 -22.918 -6.747 1.00 0.00 N ATOM 111 CA ASP A 9 -39.981 -22.741 -6.563 1.00 0.00 C ATOM 112 C ASP A 9 -39.676 -21.381 -5.940 1.00 0.00 C ATOM 113 O ASP A 9 -39.406 -20.412 -6.649 1.00 0.00 O ATOM 114 CB ASP A 9 -39.253 -22.877 -7.901 1.00 0.00 C ATOM 115 CG ASP A 9 -37.773 -23.160 -7.728 1.00 0.00 C ATOM 116 OD1 ASP A 9 -37.414 -24.338 -7.522 1.00 0.00 O ATOM 117 OD2 ASP A 9 -36.974 -22.203 -7.801 1.00 0.00 O ATOM 0 H ASP A 9 -41.883 -22.135 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 9 -39.628 -23.519 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -39.709 -23.681 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -39.380 -21.959 -8.475 1.00 0.00 H new ATOM 122 N PRO A 10 -39.716 -21.292 -4.600 1.00 0.00 N ATOM 123 CA PRO A 10 -39.443 -20.042 -3.883 1.00 0.00 C ATOM 124 C PRO A 10 -38.094 -19.441 -4.264 1.00 0.00 C ATOM 125 O PRO A 10 -38.027 -18.339 -4.809 1.00 0.00 O ATOM 126 CB PRO A 10 -39.444 -20.462 -2.410 1.00 0.00 C ATOM 127 CG PRO A 10 -40.268 -21.703 -2.368 1.00 0.00 C ATOM 128 CD PRO A 10 -40.031 -22.399 -3.679 1.00 0.00 C ATOM 0 HA PRO A 10 -40.177 -19.271 -4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -38.432 -20.647 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -39.869 -19.683 -1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -39.977 -22.337 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -41.324 -21.467 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -39.210 -23.113 -3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -40.911 -22.955 -4.004 1.00 0.00 H new ATOM 136 N GLU A 11 -37.023 -20.172 -3.973 1.00 0.00 N ATOM 137 CA GLU A 11 -35.675 -19.710 -4.286 1.00 0.00 C ATOM 138 C GLU A 11 -34.702 -20.882 -4.359 1.00 0.00 C ATOM 139 O GLU A 11 -34.344 -21.469 -3.338 1.00 0.00 O ATOM 140 CB GLU A 11 -35.200 -18.704 -3.235 1.00 0.00 C ATOM 141 CG GLU A 11 -35.876 -17.346 -3.342 1.00 0.00 C ATOM 142 CD GLU A 11 -35.787 -16.757 -4.737 1.00 0.00 C ATOM 143 OE1 GLU A 11 -34.710 -16.864 -5.359 1.00 0.00 O ATOM 144 OE2 GLU A 11 -36.796 -16.190 -5.208 1.00 0.00 O ATOM 0 H GLU A 11 -37.062 -21.086 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 11 -35.703 -19.222 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -35.384 -19.115 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -34.122 -18.573 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -36.924 -17.443 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -35.416 -16.659 -2.632 1.00 0.00 H new ATOM 151 N ARG A 12 -34.278 -21.219 -5.573 1.00 0.00 N ATOM 152 CA ARG A 12 -33.345 -22.320 -5.778 1.00 0.00 C ATOM 153 C ARG A 12 -32.538 -22.119 -7.057 1.00 0.00 C ATOM 154 O ARG A 12 -32.180 -23.081 -7.735 1.00 0.00 O ATOM 155 CB ARG A 12 -34.102 -23.650 -5.838 1.00 0.00 C ATOM 156 CG ARG A 12 -33.579 -24.691 -4.859 1.00 0.00 C ATOM 157 CD ARG A 12 -33.237 -25.997 -5.559 1.00 0.00 C ATOM 158 NE ARG A 12 -33.613 -27.160 -4.759 1.00 0.00 N ATOM 159 CZ ARG A 12 -33.120 -28.382 -4.952 1.00 0.00 C ATOM 160 NH1 ARG A 12 -32.235 -28.604 -5.914 1.00 0.00 N ATOM 161 NH2 ARG A 12 -33.516 -29.384 -4.179 1.00 0.00 N ATOM 0 H ARG A 12 -34.566 -20.745 -6.429 1.00 0.00 H new ATOM 0 HA ARG A 12 -32.653 -22.341 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -35.157 -23.468 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -34.038 -24.050 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -32.693 -24.305 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -34.328 -24.876 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -33.748 -26.038 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -32.167 -26.029 -5.765 1.00 0.00 H new ATOM 0 HE ARG A 12 -34.292 -27.029 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -31.928 -27.836 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -31.861 -29.542 -6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -34.197 -29.218 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -33.140 -30.321 -4.325 1.00 0.00 H new ATOM 175 N LYS A 13 -32.255 -20.860 -7.379 1.00 0.00 N ATOM 176 CA LYS A 13 -31.491 -20.533 -8.576 1.00 0.00 C ATOM 177 C LYS A 13 -30.414 -19.496 -8.267 1.00 0.00 C ATOM 178 O LYS A 13 -30.555 -18.320 -8.602 1.00 0.00 O ATOM 179 CB LYS A 13 -32.420 -20.011 -9.673 1.00 0.00 C ATOM 180 CG LYS A 13 -32.859 -21.082 -10.659 1.00 0.00 C ATOM 181 CD LYS A 13 -34.297 -20.874 -11.105 1.00 0.00 C ATOM 182 CE LYS A 13 -35.251 -21.795 -10.360 1.00 0.00 C ATOM 183 NZ LYS A 13 -36.641 -21.696 -10.884 1.00 0.00 N ATOM 0 H LYS A 13 -32.543 -20.052 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 13 -31.004 -21.443 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -33.303 -19.571 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -31.914 -19.213 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -32.202 -21.069 -11.529 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -32.758 -22.065 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -34.585 -19.836 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -34.377 -21.056 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -34.903 -22.824 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -35.244 -21.544 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -37.316 -21.841 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -36.789 -20.754 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -36.790 -22.423 -11.612 1.00 0.00 H new ATOM 197 N GLU A 14 -29.338 -19.942 -7.626 1.00 0.00 N ATOM 198 CA GLU A 14 -28.237 -19.054 -7.273 1.00 0.00 C ATOM 199 C GLU A 14 -26.894 -19.754 -7.454 1.00 0.00 C ATOM 200 O GLU A 14 -26.728 -20.910 -7.065 1.00 0.00 O ATOM 201 CB GLU A 14 -28.385 -18.574 -5.828 1.00 0.00 C ATOM 202 CG GLU A 14 -28.494 -19.706 -4.820 1.00 0.00 C ATOM 203 CD GLU A 14 -28.348 -19.228 -3.389 1.00 0.00 C ATOM 204 OE1 GLU A 14 -27.286 -18.659 -3.058 1.00 0.00 O ATOM 205 OE2 GLU A 14 -29.295 -19.423 -2.598 1.00 0.00 O ATOM 0 H GLU A 14 -29.206 -20.912 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 14 -28.270 -18.192 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -27.528 -17.951 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -29.271 -17.944 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -29.458 -20.201 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -27.726 -20.450 -5.031 1.00 0.00 H new ATOM 212 N THR A 15 -25.938 -19.046 -8.048 1.00 0.00 N ATOM 213 CA THR A 15 -24.610 -19.599 -8.280 1.00 0.00 C ATOM 214 C THR A 15 -23.693 -18.566 -8.929 1.00 0.00 C ATOM 215 O THR A 15 -22.513 -18.471 -8.593 1.00 0.00 O ATOM 216 CB THR A 15 -24.699 -20.844 -9.166 1.00 0.00 C ATOM 217 OG1 THR A 15 -23.409 -21.348 -9.455 1.00 0.00 O ATOM 218 CG2 THR A 15 -25.401 -20.591 -10.483 1.00 0.00 C ATOM 0 H THR A 15 -26.059 -18.088 -8.377 1.00 0.00 H new ATOM 0 HA THR A 15 -24.188 -19.877 -7.314 1.00 0.00 H new ATOM 0 HB THR A 15 -25.283 -21.565 -8.594 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.488 -22.144 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 15 -25.430 -21.513 -11.063 1.00 0.00 H new ATOM 0 HG22 THR A 15 -26.419 -20.249 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 15 -24.861 -19.828 -11.043 1.00 0.00 H new ATOM 226 N ARG A 16 -24.245 -17.794 -9.859 1.00 0.00 N ATOM 227 CA ARG A 16 -23.478 -16.767 -10.556 1.00 0.00 C ATOM 228 C ARG A 16 -22.343 -17.391 -11.363 1.00 0.00 C ATOM 229 O ARG A 16 -21.909 -18.508 -11.082 1.00 0.00 O ATOM 230 CB ARG A 16 -22.913 -15.755 -9.559 1.00 0.00 C ATOM 231 CG ARG A 16 -23.980 -15.050 -8.737 1.00 0.00 C ATOM 232 CD ARG A 16 -23.474 -13.726 -8.186 1.00 0.00 C ATOM 233 NE ARG A 16 -24.569 -12.816 -7.858 1.00 0.00 N ATOM 234 CZ ARG A 16 -25.297 -12.900 -6.747 1.00 0.00 C ATOM 235 NH1 ARG A 16 -25.050 -13.851 -5.854 1.00 0.00 N ATOM 236 NH2 ARG A 16 -26.273 -12.030 -6.527 1.00 0.00 N ATOM 0 H ARG A 16 -25.221 -17.860 -10.148 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.150 -16.252 -11.243 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -22.226 -16.266 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -22.332 -15.009 -10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -24.861 -14.875 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -24.291 -15.693 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.875 -13.910 -7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.818 -13.255 -8.918 1.00 0.00 H new ATOM 0 HE ARG A 16 -24.789 -12.072 -8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -24.299 -14.522 -6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -25.611 -13.911 -5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -26.466 -11.297 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -26.831 -12.094 -5.676 1.00 0.00 H new ATOM 250 N GLN A 17 -21.867 -16.662 -12.368 1.00 0.00 N ATOM 251 CA GLN A 17 -20.784 -17.144 -13.215 1.00 0.00 C ATOM 252 C GLN A 17 -19.427 -16.739 -12.648 1.00 0.00 C ATOM 253 O GLN A 17 -18.444 -17.466 -12.785 1.00 0.00 O ATOM 254 CB GLN A 17 -20.939 -16.598 -14.636 1.00 0.00 C ATOM 255 CG GLN A 17 -20.285 -17.469 -15.697 1.00 0.00 C ATOM 256 CD GLN A 17 -21.009 -17.407 -17.028 1.00 0.00 C ATOM 257 OE1 GLN A 17 -20.516 -16.816 -17.989 1.00 0.00 O ATOM 258 NE2 GLN A 17 -22.185 -18.020 -17.091 1.00 0.00 N ATOM 0 H GLN A 17 -22.215 -15.735 -12.615 1.00 0.00 H new ATOM 0 HA GLN A 17 -20.835 -18.232 -13.243 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -22.000 -16.497 -14.864 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -20.507 -15.598 -14.681 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -19.251 -17.153 -15.835 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -20.259 -18.502 -15.349 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -22.556 -18.498 -16.270 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -22.718 -18.013 -17.961 1.00 0.00 H new ATOM 267 N LYS A 18 -19.382 -15.573 -12.011 1.00 0.00 N ATOM 268 CA LYS A 18 -18.145 -15.072 -11.421 1.00 0.00 C ATOM 269 C LYS A 18 -17.889 -15.715 -10.062 1.00 0.00 C ATOM 270 O LYS A 18 -18.636 -15.494 -9.110 1.00 0.00 O ATOM 271 CB LYS A 18 -18.206 -13.550 -11.275 1.00 0.00 C ATOM 272 CG LYS A 18 -16.894 -12.930 -10.825 1.00 0.00 C ATOM 273 CD LYS A 18 -17.040 -11.438 -10.574 1.00 0.00 C ATOM 274 CE LYS A 18 -15.771 -10.844 -9.984 1.00 0.00 C ATOM 275 NZ LYS A 18 -15.335 -11.572 -8.761 1.00 0.00 N ATOM 0 H LYS A 18 -20.187 -14.958 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.322 -15.334 -12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.496 -13.113 -12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.985 -13.293 -10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.552 -13.421 -9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.131 -13.099 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.278 -10.932 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.875 -11.262 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.975 -10.875 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.940 -9.795 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.671 -10.980 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.164 -11.787 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.865 -12.459 -9.034 1.00 0.00 H new ATOM 289 N VAL A 19 -16.829 -16.512 -9.980 1.00 0.00 N ATOM 290 CA VAL A 19 -16.474 -17.188 -8.739 1.00 0.00 C ATOM 291 C VAL A 19 -15.018 -16.925 -8.368 1.00 0.00 C ATOM 292 O VAL A 19 -14.707 -16.605 -7.221 1.00 0.00 O ATOM 293 CB VAL A 19 -16.700 -18.709 -8.841 1.00 0.00 C ATOM 294 CG1 VAL A 19 -16.473 -19.377 -7.493 1.00 0.00 C ATOM 295 CG2 VAL A 19 -18.098 -19.009 -9.362 1.00 0.00 C ATOM 0 H VAL A 19 -16.200 -16.705 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.124 -16.784 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.977 -19.116 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.638 -20.450 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.450 -19.194 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -17.169 -18.966 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -18.238 -20.088 -9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -18.838 -18.587 -8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -18.220 -18.567 -10.351 1.00 0.00 H new ATOM 305 N ASP A 20 -14.129 -17.062 -9.346 1.00 0.00 N ATOM 306 CA ASP A 20 -12.706 -16.838 -9.123 1.00 0.00 C ATOM 307 C ASP A 20 -11.944 -16.818 -10.444 1.00 0.00 C ATOM 308 O ASP A 20 -11.466 -17.852 -10.912 1.00 0.00 O ATOM 309 CB ASP A 20 -12.135 -17.923 -8.208 1.00 0.00 C ATOM 310 CG ASP A 20 -11.081 -17.384 -7.261 1.00 0.00 C ATOM 311 OD1 ASP A 20 -11.331 -16.335 -6.629 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.006 -18.010 -7.149 1.00 0.00 O ATOM 0 H ASP A 20 -14.369 -17.327 -10.301 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.588 -15.867 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.944 -18.370 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.701 -18.717 -8.817 1.00 0.00 H new ATOM 317 N ASP A 21 -11.834 -15.636 -11.040 1.00 0.00 N ATOM 318 CA ASP A 21 -11.130 -15.481 -12.308 1.00 0.00 C ATOM 319 C ASP A 21 -9.807 -14.749 -12.109 1.00 0.00 C ATOM 320 O ASP A 21 -9.760 -13.694 -11.475 1.00 0.00 O ATOM 321 CB ASP A 21 -12.000 -14.721 -13.310 1.00 0.00 C ATOM 322 CG ASP A 21 -11.364 -14.638 -14.683 1.00 0.00 C ATOM 323 OD1 ASP A 21 -10.322 -13.963 -14.815 1.00 0.00 O ATOM 324 OD2 ASP A 21 -11.908 -15.249 -15.627 1.00 0.00 O ATOM 0 H ASP A 21 -12.223 -14.771 -10.666 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.920 -16.475 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.969 -15.213 -13.391 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.184 -13.714 -12.936 1.00 0.00 H new ATOM 329 N ASP A 22 -8.734 -15.314 -12.652 1.00 0.00 N ATOM 330 CA ASP A 22 -7.412 -14.713 -12.532 1.00 0.00 C ATOM 331 C ASP A 22 -6.513 -15.133 -13.691 1.00 0.00 C ATOM 332 O ASP A 22 -6.063 -16.277 -13.758 1.00 0.00 O ATOM 333 CB ASP A 22 -6.768 -15.108 -11.202 1.00 0.00 C ATOM 334 CG ASP A 22 -6.572 -16.605 -11.075 1.00 0.00 C ATOM 335 OD1 ASP A 22 -7.476 -17.359 -11.493 1.00 0.00 O ATOM 336 OD2 ASP A 22 -5.516 -17.025 -10.557 1.00 0.00 O ATOM 0 H ASP A 22 -8.754 -16.187 -13.179 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.530 -13.630 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.804 -14.609 -11.106 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.392 -14.755 -10.381 1.00 0.00 H new ATOM 341 N ARG A 23 -6.255 -14.198 -14.597 1.00 0.00 N ATOM 342 CA ARG A 23 -5.409 -14.462 -15.755 1.00 0.00 C ATOM 343 C ARG A 23 -4.915 -13.155 -16.364 1.00 0.00 C ATOM 344 O ARG A 23 -5.634 -12.498 -17.116 1.00 0.00 O ATOM 345 CB ARG A 23 -6.175 -15.272 -16.802 1.00 0.00 C ATOM 346 CG ARG A 23 -7.570 -14.738 -17.085 1.00 0.00 C ATOM 347 CD ARG A 23 -8.319 -15.626 -18.066 1.00 0.00 C ATOM 348 NE ARG A 23 -7.624 -15.735 -19.347 1.00 0.00 N ATOM 349 CZ ARG A 23 -8.176 -16.238 -20.449 1.00 0.00 C ATOM 350 NH1 ARG A 23 -9.429 -16.677 -20.432 1.00 0.00 N ATOM 351 NH2 ARG A 23 -7.474 -16.302 -21.571 1.00 0.00 N ATOM 0 H ARG A 23 -6.621 -13.247 -14.552 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.547 -15.042 -15.425 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.604 -15.282 -17.730 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.252 -16.305 -16.464 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.131 -14.670 -16.153 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.499 -13.728 -17.488 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.442 -16.619 -17.635 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.319 -15.223 -18.229 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.660 -15.407 -19.400 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.974 -16.630 -19.571 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.846 -17.061 -21.280 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.511 -15.966 -21.590 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.896 -16.687 -22.416 1.00 0.00 H new ATOM 365 N LYS A 24 -3.685 -12.781 -16.027 1.00 0.00 N ATOM 366 CA LYS A 24 -3.098 -11.546 -16.532 1.00 0.00 C ATOM 367 C LYS A 24 -3.961 -10.346 -16.156 1.00 0.00 C ATOM 368 O LYS A 24 -3.954 -9.322 -16.841 1.00 0.00 O ATOM 369 CB LYS A 24 -2.935 -11.621 -18.051 1.00 0.00 C ATOM 370 CG LYS A 24 -2.109 -10.484 -18.633 1.00 0.00 C ATOM 371 CD LYS A 24 -2.751 -9.908 -19.887 1.00 0.00 C ATOM 372 CE LYS A 24 -1.731 -9.721 -21.000 1.00 0.00 C ATOM 373 NZ LYS A 24 -2.055 -8.551 -21.860 1.00 0.00 N ATOM 0 H LYS A 24 -3.076 -13.315 -15.407 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.116 -11.421 -16.076 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.466 -12.570 -18.311 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.922 -11.616 -18.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.996 -9.697 -17.887 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.108 -10.845 -18.869 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.546 -10.572 -20.228 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.215 -8.950 -19.652 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.740 -9.589 -20.566 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.693 -10.622 -21.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.694 -8.716 -22.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.086 -8.421 -21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.611 -7.697 -21.466 1.00 0.00 H new ATOM 387 N HIS A 25 -4.707 -10.482 -15.064 1.00 0.00 N ATOM 388 CA HIS A 25 -5.581 -9.416 -14.591 1.00 0.00 C ATOM 389 C HIS A 25 -5.194 -8.978 -13.181 1.00 0.00 C ATOM 390 O HIS A 25 -5.205 -7.788 -12.864 1.00 0.00 O ATOM 391 CB HIS A 25 -7.039 -9.881 -14.612 1.00 0.00 C ATOM 392 CG HIS A 25 -7.957 -8.942 -15.332 1.00 0.00 C ATOM 393 ND1 HIS A 25 -7.675 -7.603 -15.510 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.157 -9.154 -15.924 1.00 0.00 C ATOM 395 CE1 HIS A 25 -8.663 -7.033 -16.178 1.00 0.00 C ATOM 396 NE2 HIS A 25 -9.573 -7.953 -16.441 1.00 0.00 N ATOM 0 H HIS A 25 -4.723 -11.324 -14.489 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.468 -8.562 -15.259 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.092 -10.862 -15.085 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.388 -10.002 -13.586 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.687 -10.093 -15.979 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.717 -5.992 -16.461 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.445 -7.796 -16.947 1.00 0.00 H new ATOM 405 N GLU A 26 -4.855 -9.949 -12.337 1.00 0.00 N ATOM 406 CA GLU A 26 -4.466 -9.669 -10.959 1.00 0.00 C ATOM 407 C GLU A 26 -3.324 -8.657 -10.905 1.00 0.00 C ATOM 408 O GLU A 26 -3.197 -7.901 -9.942 1.00 0.00 O ATOM 409 CB GLU A 26 -4.056 -10.963 -10.251 1.00 0.00 C ATOM 410 CG GLU A 26 -4.926 -11.301 -9.052 1.00 0.00 C ATOM 411 CD GLU A 26 -4.378 -10.736 -7.756 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.011 -9.543 -7.737 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.316 -11.488 -6.760 1.00 0.00 O ATOM 0 H GLU A 26 -4.842 -10.938 -12.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.326 -9.239 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.098 -11.787 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.020 -10.876 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.931 -10.913 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.012 -12.384 -8.964 1.00 0.00 H new ATOM 420 N ILE A 27 -2.496 -8.648 -11.945 1.00 0.00 N ATOM 421 CA ILE A 27 -1.367 -7.729 -12.012 1.00 0.00 C ATOM 422 C ILE A 27 -1.837 -6.306 -12.297 1.00 0.00 C ATOM 423 O ILE A 27 -1.246 -5.338 -11.817 1.00 0.00 O ATOM 424 CB ILE A 27 -0.359 -8.153 -13.098 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.002 -9.633 -12.946 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.891 -7.291 -13.026 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.565 -10.249 -14.206 1.00 0.00 C ATOM 0 H ILE A 27 -2.586 -9.266 -12.751 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.874 -7.760 -11.040 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.820 -8.009 -14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.723 -9.743 -12.139 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.894 -10.185 -12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.593 -7.603 -13.799 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.622 -6.246 -13.180 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.356 -7.405 -12.047 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.795 -11.299 -14.026 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.167 -10.171 -15.010 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.475 -9.722 -14.491 1.00 0.00 H new ATOM 439 N GLU A 28 -2.905 -6.188 -13.077 1.00 0.00 N ATOM 440 CA GLU A 28 -3.458 -4.884 -13.425 1.00 0.00 C ATOM 441 C GLU A 28 -4.113 -4.233 -12.211 1.00 0.00 C ATOM 442 O GLU A 28 -3.916 -3.047 -11.949 1.00 0.00 O ATOM 443 CB GLU A 28 -4.478 -5.025 -14.556 1.00 0.00 C ATOM 444 CG GLU A 28 -4.703 -3.739 -15.334 1.00 0.00 C ATOM 445 CD GLU A 28 -5.744 -3.894 -16.425 1.00 0.00 C ATOM 446 OE1 GLU A 28 -5.782 -4.968 -17.062 1.00 0.00 O ATOM 447 OE2 GLU A 28 -6.521 -2.941 -16.645 1.00 0.00 O ATOM 0 H GLU A 28 -3.406 -6.980 -13.481 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.641 -4.246 -13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.142 -5.802 -15.243 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.428 -5.358 -14.138 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.016 -2.953 -14.647 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.761 -3.418 -15.778 1.00 0.00 H new ATOM 454 N ALA A 29 -4.891 -5.018 -11.474 1.00 0.00 N ATOM 455 CA ALA A 29 -5.574 -4.519 -10.287 1.00 0.00 C ATOM 456 C ALA A 29 -4.573 -4.051 -9.235 1.00 0.00 C ATOM 457 O ALA A 29 -4.839 -3.113 -8.484 1.00 0.00 O ATOM 458 CB ALA A 29 -6.487 -5.594 -9.712 1.00 0.00 C ATOM 0 H ALA A 29 -5.064 -6.002 -11.678 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.181 -3.662 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.991 -5.208 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.230 -5.877 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.894 -6.468 -9.441 1.00 0.00 H new ATOM 464 N ALA A 30 -3.420 -4.710 -9.190 1.00 0.00 N ATOM 465 CA ALA A 30 -2.378 -4.362 -8.233 1.00 0.00 C ATOM 466 C ALA A 30 -1.861 -2.948 -8.475 1.00 0.00 C ATOM 467 O ALA A 30 -1.713 -2.162 -7.540 1.00 0.00 O ATOM 468 CB ALA A 30 -1.235 -5.364 -8.308 1.00 0.00 C ATOM 0 H ALA A 30 -3.184 -5.488 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.811 -4.397 -7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.464 -5.091 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.610 -6.361 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.811 -5.358 -9.312 1.00 0.00 H new ATOM 474 N ILE A 31 -1.591 -2.632 -9.738 1.00 0.00 N ATOM 475 CA ILE A 31 -1.092 -1.311 -10.103 1.00 0.00 C ATOM 476 C ILE A 31 -2.085 -0.223 -9.705 1.00 0.00 C ATOM 477 O ILE A 31 -1.691 0.863 -9.277 1.00 0.00 O ATOM 478 CB ILE A 31 -0.815 -1.214 -11.618 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.118 -2.343 -12.061 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.215 0.141 -11.964 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.395 -2.346 -13.549 1.00 0.00 C ATOM 0 H ILE A 31 -1.709 -3.271 -10.524 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.157 -1.162 -9.562 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.760 -1.317 -12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.062 -2.256 -11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.322 -3.300 -11.779 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.026 0.192 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.911 0.930 -11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.722 0.272 -11.424 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.063 -3.172 -13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.542 -2.464 -14.093 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.864 -1.404 -13.834 1.00 0.00 H new ATOM 493 N VAL A 32 -3.371 -0.521 -9.848 1.00 0.00 N ATOM 494 CA VAL A 32 -4.419 0.432 -9.502 1.00 0.00 C ATOM 495 C VAL A 32 -4.514 0.616 -7.990 1.00 0.00 C ATOM 496 O VAL A 32 -4.885 1.686 -7.508 1.00 0.00 O ATOM 497 CB VAL A 32 -5.791 -0.019 -10.040 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.838 1.060 -9.808 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.697 -0.369 -11.519 1.00 0.00 C ATOM 0 H VAL A 32 -3.713 -1.415 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.150 1.381 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.096 -0.913 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.800 0.723 -10.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.926 1.258 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.540 1.973 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.675 -0.685 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.368 0.506 -12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.980 -1.179 -11.656 1.00 0.00 H new ATOM 509 N ARG A 33 -4.175 -0.434 -7.250 1.00 0.00 N ATOM 510 CA ARG A 33 -4.221 -0.387 -5.793 1.00 0.00 C ATOM 511 C ARG A 33 -3.044 0.411 -5.238 1.00 0.00 C ATOM 512 O ARG A 33 -3.213 1.246 -4.348 1.00 0.00 O ATOM 513 CB ARG A 33 -4.211 -1.806 -5.216 1.00 0.00 C ATOM 514 CG ARG A 33 -5.423 -2.120 -4.353 1.00 0.00 C ATOM 515 CD ARG A 33 -5.024 -2.455 -2.925 1.00 0.00 C ATOM 516 NE ARG A 33 -5.816 -3.555 -2.379 1.00 0.00 N ATOM 517 CZ ARG A 33 -7.123 -3.481 -2.143 1.00 0.00 C ATOM 518 NH1 ARG A 33 -7.789 -2.362 -2.402 1.00 0.00 N ATOM 519 NH2 ARG A 33 -7.767 -4.527 -1.645 1.00 0.00 N ATOM 0 H ARG A 33 -3.866 -1.327 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.145 0.111 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.164 -2.523 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.307 -1.941 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.100 -1.265 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.970 -2.958 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.967 -2.720 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.148 -1.573 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.339 -4.431 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.298 -1.553 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.791 -2.311 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.260 -5.389 -1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.769 -4.470 -1.464 1.00 0.00 H new ATOM 533 N ILE A 34 -1.856 0.151 -5.771 1.00 0.00 N ATOM 534 CA ILE A 34 -0.652 0.845 -5.331 1.00 0.00 C ATOM 535 C ILE A 34 -0.719 2.329 -5.682 1.00 0.00 C ATOM 536 O ILE A 34 -0.367 3.186 -4.870 1.00 0.00 O ATOM 537 CB ILE A 34 0.614 0.232 -5.961 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.663 -1.274 -5.697 1.00 0.00 C ATOM 539 CG2 ILE A 34 1.864 0.909 -5.417 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.634 -2.013 -6.592 1.00 0.00 C ATOM 0 H ILE A 34 -1.701 -0.536 -6.509 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.596 0.732 -4.248 1.00 0.00 H new ATOM 0 HB ILE A 34 0.577 0.395 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.939 -1.443 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.335 -1.691 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.747 0.463 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.833 1.973 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.908 0.777 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.616 -3.075 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.346 -1.874 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.640 -1.622 -6.438 1.00 0.00 H new ATOM 552 N MET A 35 -1.174 2.627 -6.895 1.00 0.00 N ATOM 553 CA MET A 35 -1.289 4.007 -7.351 1.00 0.00 C ATOM 554 C MET A 35 -2.339 4.762 -6.542 1.00 0.00 C ATOM 555 O MET A 35 -2.229 5.971 -6.340 1.00 0.00 O ATOM 556 CB MET A 35 -1.648 4.048 -8.838 1.00 0.00 C ATOM 557 CG MET A 35 -0.488 3.714 -9.763 1.00 0.00 C ATOM 558 SD MET A 35 0.984 4.699 -9.431 1.00 0.00 S ATOM 559 CE MET A 35 0.886 5.869 -10.775 1.00 0.00 C ATOM 0 H MET A 35 -1.469 1.931 -7.580 1.00 0.00 H new ATOM 0 HA MET A 35 -0.324 4.493 -7.204 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.462 3.347 -9.024 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.021 5.042 -9.084 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.242 2.657 -9.661 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.798 3.871 -10.796 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.728 6.558 -10.719 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.916 5.335 -11.725 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.046 6.429 -10.703 1.00 0.00 H new ATOM 569 N LYS A 36 -3.357 4.041 -6.083 1.00 0.00 N ATOM 570 CA LYS A 36 -4.427 4.644 -5.298 1.00 0.00 C ATOM 571 C LYS A 36 -3.876 5.284 -4.026 1.00 0.00 C ATOM 572 O LYS A 36 -4.395 6.296 -3.554 1.00 0.00 O ATOM 573 CB LYS A 36 -5.481 3.593 -4.942 1.00 0.00 C ATOM 574 CG LYS A 36 -6.891 3.982 -5.355 1.00 0.00 C ATOM 575 CD LYS A 36 -7.924 3.021 -4.788 1.00 0.00 C ATOM 576 CE LYS A 36 -8.627 3.609 -3.575 1.00 0.00 C ATOM 577 NZ LYS A 36 -7.918 3.280 -2.307 1.00 0.00 N ATOM 0 H LYS A 36 -3.463 3.039 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.892 5.424 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.218 2.650 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.461 3.420 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.106 4.993 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.962 3.994 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.660 2.782 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.438 2.086 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.693 4.692 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.648 3.230 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.559 2.758 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.085 2.693 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.614 4.159 -1.841 1.00 0.00 H new ATOM 591 N SER A 37 -2.824 4.687 -3.477 1.00 0.00 N ATOM 592 CA SER A 37 -2.202 5.198 -2.261 1.00 0.00 C ATOM 593 C SER A 37 -0.955 6.014 -2.587 1.00 0.00 C ATOM 594 O SER A 37 -0.879 7.202 -2.275 1.00 0.00 O ATOM 595 CB SER A 37 -1.841 4.045 -1.324 1.00 0.00 C ATOM 596 OG SER A 37 -1.994 4.421 0.033 1.00 0.00 O ATOM 0 H SER A 37 -2.384 3.848 -3.855 1.00 0.00 H new ATOM 0 HA SER A 37 -2.920 5.850 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.475 3.185 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.812 3.735 -1.504 1.00 0.00 H new ATOM 0 HG SER A 37 -1.758 3.665 0.610 1.00 0.00 H new ATOM 602 N ARG A 38 0.021 5.367 -3.215 1.00 0.00 N ATOM 603 CA ARG A 38 1.267 6.031 -3.583 1.00 0.00 C ATOM 604 C ARG A 38 1.003 7.227 -4.495 1.00 0.00 C ATOM 605 O ARG A 38 1.800 8.164 -4.550 1.00 0.00 O ATOM 606 CB ARG A 38 2.208 5.046 -4.278 1.00 0.00 C ATOM 607 CG ARG A 38 2.492 3.797 -3.458 1.00 0.00 C ATOM 608 CD ARG A 38 3.881 3.837 -2.838 1.00 0.00 C ATOM 609 NE ARG A 38 3.866 3.425 -1.437 1.00 0.00 N ATOM 610 CZ ARG A 38 3.544 2.200 -1.028 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.210 1.264 -1.909 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.555 1.908 0.265 1.00 0.00 N ATOM 0 H ARG A 38 -0.026 4.383 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 38 1.738 6.392 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.773 4.753 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.150 5.549 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.744 3.700 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.402 2.916 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.548 3.184 -3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.283 4.847 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 38 4.117 4.117 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.199 1.482 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.964 0.327 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.810 2.622 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.308 0.969 0.578 1.00 0.00 H new ATOM 626 N LYS A 39 -0.120 7.191 -5.208 1.00 0.00 N ATOM 627 CA LYS A 39 -0.489 8.272 -6.119 1.00 0.00 C ATOM 628 C LYS A 39 0.455 8.321 -7.316 1.00 0.00 C ATOM 629 O LYS A 39 0.069 7.994 -8.438 1.00 0.00 O ATOM 630 CB LYS A 39 -0.480 9.617 -5.385 1.00 0.00 C ATOM 631 CG LYS A 39 -1.861 10.233 -5.231 1.00 0.00 C ATOM 632 CD LYS A 39 -2.544 9.758 -3.958 1.00 0.00 C ATOM 633 CE LYS A 39 -3.998 10.203 -3.906 1.00 0.00 C ATOM 634 NZ LYS A 39 -4.401 10.634 -2.538 1.00 0.00 N ATOM 0 H LYS A 39 -0.791 6.424 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.497 8.077 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.040 9.480 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.161 10.313 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.776 11.320 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.475 9.973 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.493 8.671 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.012 10.149 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.151 11.025 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.640 9.384 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.398 10.929 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.280 9.842 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.806 11.432 -2.236 1.00 0.00 H new ATOM 648 N LYS A 40 1.696 8.730 -7.069 1.00 0.00 N ATOM 649 CA LYS A 40 2.695 8.821 -8.127 1.00 0.00 C ATOM 650 C LYS A 40 3.718 7.696 -8.007 1.00 0.00 C ATOM 651 O LYS A 40 3.999 7.214 -6.909 1.00 0.00 O ATOM 652 CB LYS A 40 3.400 10.179 -8.077 1.00 0.00 C ATOM 653 CG LYS A 40 3.604 10.809 -9.446 1.00 0.00 C ATOM 654 CD LYS A 40 5.064 10.768 -9.868 1.00 0.00 C ATOM 655 CE LYS A 40 5.440 11.991 -10.689 1.00 0.00 C ATOM 656 NZ LYS A 40 5.140 13.259 -9.968 1.00 0.00 N ATOM 0 H LYS A 40 2.033 9.003 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 40 2.185 8.721 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.817 10.859 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.369 10.058 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.997 10.284 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.259 11.843 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.698 10.713 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.250 9.866 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.502 11.953 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.898 11.974 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.814 13.994 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.172 13.566 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.224 13.104 -8.943 1.00 0.00 H new ATOM 670 N MET A 41 4.271 7.281 -9.141 1.00 0.00 N ATOM 671 CA MET A 41 5.263 6.212 -9.163 1.00 0.00 C ATOM 672 C MET A 41 5.978 6.163 -10.510 1.00 0.00 C ATOM 673 O MET A 41 5.515 6.744 -11.492 1.00 0.00 O ATOM 674 CB MET A 41 4.596 4.865 -8.873 1.00 0.00 C ATOM 675 CG MET A 41 5.221 4.116 -7.708 1.00 0.00 C ATOM 676 SD MET A 41 4.112 2.884 -6.999 1.00 0.00 S ATOM 677 CE MET A 41 5.289 1.768 -6.239 1.00 0.00 C ATOM 0 H MET A 41 4.049 7.669 -10.058 1.00 0.00 H new ATOM 0 HA MET A 41 6.002 6.417 -8.388 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.539 5.030 -8.663 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.650 4.242 -9.766 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.135 3.626 -8.044 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.508 4.829 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 41 4.813 1.247 -5.408 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.629 1.041 -6.976 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.143 2.336 -5.869 1.00 0.00 H new ATOM 687 N GLN A 42 7.110 5.468 -10.548 1.00 0.00 N ATOM 688 CA GLN A 42 7.888 5.345 -11.775 1.00 0.00 C ATOM 689 C GLN A 42 7.657 3.986 -12.432 1.00 0.00 C ATOM 690 O GLN A 42 6.997 3.115 -11.864 1.00 0.00 O ATOM 691 CB GLN A 42 9.378 5.538 -11.482 1.00 0.00 C ATOM 692 CG GLN A 42 10.031 6.612 -12.337 1.00 0.00 C ATOM 693 CD GLN A 42 11.506 6.351 -12.574 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.092 5.449 -11.975 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.113 7.142 -13.450 1.00 0.00 N ATOM 0 H GLN A 42 7.508 4.982 -9.745 1.00 0.00 H new ATOM 0 HA GLN A 42 7.558 6.122 -12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.503 5.797 -10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.897 4.593 -11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.517 6.670 -13.297 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.910 7.581 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.587 7.877 -13.923 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.105 7.015 -13.650 1.00 0.00 H new ATOM 704 N HIS A 43 8.203 3.814 -13.630 1.00 0.00 N ATOM 705 CA HIS A 43 8.056 2.563 -14.365 1.00 0.00 C ATOM 706 C HIS A 43 8.726 1.411 -13.620 1.00 0.00 C ATOM 707 O HIS A 43 8.096 0.391 -13.342 1.00 0.00 O ATOM 708 CB HIS A 43 8.656 2.696 -15.766 1.00 0.00 C ATOM 709 CG HIS A 43 8.160 1.662 -16.729 1.00 0.00 C ATOM 710 ND1 HIS A 43 6.912 1.083 -16.637 1.00 0.00 N ATOM 711 CD2 HIS A 43 8.753 1.104 -17.811 1.00 0.00 C ATOM 712 CE1 HIS A 43 6.759 0.212 -17.620 1.00 0.00 C ATOM 713 NE2 HIS A 43 7.860 0.207 -18.346 1.00 0.00 N ATOM 0 H HIS A 43 8.752 4.525 -14.113 1.00 0.00 H new ATOM 0 HA HIS A 43 6.991 2.346 -14.452 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.426 3.687 -16.159 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.741 2.625 -15.696 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.743 1.323 -18.184 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.882 -0.392 -17.798 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.022 -0.370 -19.171 1.00 0.00 H new ATOM 722 N ASN A 44 10.005 1.582 -13.301 1.00 0.00 N ATOM 723 CA ASN A 44 10.757 0.555 -12.590 1.00 0.00 C ATOM 724 C ASN A 44 10.178 0.323 -11.198 1.00 0.00 C ATOM 725 O ASN A 44 10.021 -0.818 -10.765 1.00 0.00 O ATOM 726 CB ASN A 44 12.230 0.956 -12.482 1.00 0.00 C ATOM 727 CG ASN A 44 12.960 0.838 -13.807 1.00 0.00 C ATOM 728 OD1 ASN A 44 12.341 0.838 -14.871 1.00 0.00 O ATOM 729 ND2 ASN A 44 14.282 0.736 -13.747 1.00 0.00 N ATOM 0 H ASN A 44 10.541 2.421 -13.523 1.00 0.00 H new ATOM 0 HA ASN A 44 10.680 -0.374 -13.155 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.299 1.983 -12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.722 0.325 -11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.827 0.653 -14.605 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.753 0.740 -12.842 1.00 0.00 H new ATOM 736 N VAL A 45 9.860 1.411 -10.504 1.00 0.00 N ATOM 737 CA VAL A 45 9.295 1.323 -9.163 1.00 0.00 C ATOM 738 C VAL A 45 7.985 0.542 -9.174 1.00 0.00 C ATOM 739 O VAL A 45 7.751 -0.310 -8.317 1.00 0.00 O ATOM 740 CB VAL A 45 9.044 2.721 -8.566 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.575 2.612 -7.123 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.297 3.578 -8.664 1.00 0.00 C ATOM 0 H VAL A 45 9.984 2.363 -10.848 1.00 0.00 H new ATOM 0 HA VAL A 45 10.023 0.800 -8.543 1.00 0.00 H new ATOM 0 HB VAL A 45 8.256 3.204 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.403 3.610 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.648 2.040 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.337 2.107 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.100 4.561 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.108 3.100 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.582 3.687 -9.710 1.00 0.00 H new ATOM 752 N LEU A 46 7.135 0.837 -10.151 1.00 0.00 N ATOM 753 CA LEU A 46 5.848 0.162 -10.276 1.00 0.00 C ATOM 754 C LEU A 46 6.045 -1.320 -10.581 1.00 0.00 C ATOM 755 O LEU A 46 5.332 -2.173 -10.053 1.00 0.00 O ATOM 756 CB LEU A 46 5.010 0.815 -11.377 1.00 0.00 C ATOM 757 CG LEU A 46 3.502 0.595 -11.259 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.936 1.394 -10.095 1.00 0.00 C ATOM 759 CD2 LEU A 46 2.807 0.976 -12.558 1.00 0.00 C ATOM 0 H LEU A 46 7.314 1.539 -10.869 1.00 0.00 H new ATOM 0 HA LEU A 46 5.320 0.255 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.207 1.887 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.343 0.432 -12.342 1.00 0.00 H new ATOM 0 HG LEU A 46 3.321 -0.463 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.861 1.225 -10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.413 1.075 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.127 2.455 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.734 0.814 -12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.996 2.027 -12.777 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.193 0.361 -13.371 1.00 0.00 H new ATOM 771 N VAL A 47 7.017 -1.617 -11.436 1.00 0.00 N ATOM 772 CA VAL A 47 7.311 -2.994 -11.813 1.00 0.00 C ATOM 773 C VAL A 47 7.931 -3.759 -10.648 1.00 0.00 C ATOM 774 O VAL A 47 7.476 -4.847 -10.295 1.00 0.00 O ATOM 775 CB VAL A 47 8.266 -3.054 -13.021 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.477 -4.491 -13.472 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.737 -2.201 -14.165 1.00 0.00 C ATOM 0 H VAL A 47 7.615 -0.921 -11.882 1.00 0.00 H new ATOM 0 HA VAL A 47 6.364 -3.458 -12.087 1.00 0.00 H new ATOM 0 HB VAL A 47 9.231 -2.652 -12.713 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.154 -4.509 -14.326 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.908 -5.069 -12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.520 -4.926 -13.759 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.425 -2.256 -15.009 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.758 -2.569 -14.471 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.649 -1.166 -13.836 1.00 0.00 H new ATOM 787 N ALA A 48 8.971 -3.183 -10.055 1.00 0.00 N ATOM 788 CA ALA A 48 9.655 -3.809 -8.930 1.00 0.00 C ATOM 789 C ALA A 48 8.689 -4.085 -7.781 1.00 0.00 C ATOM 790 O ALA A 48 8.880 -5.024 -7.008 1.00 0.00 O ATOM 791 CB ALA A 48 10.803 -2.931 -8.457 1.00 0.00 C ATOM 0 H ALA A 48 9.359 -2.282 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 48 10.057 -4.764 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.305 -3.410 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.513 -2.790 -9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.415 -1.962 -8.143 1.00 0.00 H new ATOM 797 N GLU A 49 7.654 -3.259 -7.674 1.00 0.00 N ATOM 798 CA GLU A 49 6.659 -3.414 -6.618 1.00 0.00 C ATOM 799 C GLU A 49 5.620 -4.465 -6.996 1.00 0.00 C ATOM 800 O GLU A 49 5.412 -5.438 -6.271 1.00 0.00 O ATOM 801 CB GLU A 49 5.971 -2.075 -6.339 1.00 0.00 C ATOM 802 CG GLU A 49 6.506 -1.361 -5.107 1.00 0.00 C ATOM 803 CD GLU A 49 5.412 -1.001 -4.120 1.00 0.00 C ATOM 804 OE1 GLU A 49 4.252 -0.837 -4.553 1.00 0.00 O ATOM 805 OE2 GLU A 49 5.717 -0.885 -2.915 1.00 0.00 O ATOM 0 H GLU A 49 7.482 -2.476 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 49 7.172 -3.748 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.092 -1.426 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.901 -2.244 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.241 -1.997 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.026 -0.454 -5.415 1.00 0.00 H new ATOM 812 N VAL A 50 4.966 -4.260 -8.135 1.00 0.00 N ATOM 813 CA VAL A 50 3.945 -5.187 -8.610 1.00 0.00 C ATOM 814 C VAL A 50 4.527 -6.576 -8.850 1.00 0.00 C ATOM 815 O VAL A 50 3.872 -7.586 -8.588 1.00 0.00 O ATOM 816 CB VAL A 50 3.289 -4.682 -9.909 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.132 -5.584 -10.313 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.821 -3.243 -9.749 1.00 0.00 C ATOM 0 H VAL A 50 5.125 -3.459 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 50 3.187 -5.248 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 50 4.035 -4.711 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.683 -5.210 -11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.500 -6.597 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.383 -5.592 -9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.361 -2.905 -10.677 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.092 -3.185 -8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.674 -2.607 -9.515 1.00 0.00 H new ATOM 828 N THR A 51 5.756 -6.622 -9.352 1.00 0.00 N ATOM 829 CA THR A 51 6.421 -7.890 -9.629 1.00 0.00 C ATOM 830 C THR A 51 6.696 -8.654 -8.337 1.00 0.00 C ATOM 831 O THR A 51 6.384 -9.841 -8.228 1.00 0.00 O ATOM 832 CB THR A 51 7.729 -7.652 -10.384 1.00 0.00 C ATOM 833 OG1 THR A 51 7.489 -6.960 -11.597 1.00 0.00 O ATOM 834 CG2 THR A 51 8.466 -8.929 -10.724 1.00 0.00 C ATOM 0 H THR A 51 6.312 -5.796 -9.575 1.00 0.00 H new ATOM 0 HA THR A 51 5.757 -8.491 -10.251 1.00 0.00 H new ATOM 0 HB THR A 51 8.349 -7.063 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.202 -6.044 -11.400 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.385 -8.688 -11.259 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.710 -9.464 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.835 -9.557 -11.353 1.00 0.00 H new ATOM 842 N GLN A 52 7.281 -7.967 -7.362 1.00 0.00 N ATOM 843 CA GLN A 52 7.598 -8.583 -6.078 1.00 0.00 C ATOM 844 C GLN A 52 6.330 -8.835 -5.267 1.00 0.00 C ATOM 845 O GLN A 52 6.201 -9.863 -4.603 1.00 0.00 O ATOM 846 CB GLN A 52 8.558 -7.694 -5.284 1.00 0.00 C ATOM 847 CG GLN A 52 10.024 -8.005 -5.536 1.00 0.00 C ATOM 848 CD GLN A 52 10.908 -6.780 -5.419 1.00 0.00 C ATOM 849 OE1 GLN A 52 11.339 -6.413 -4.325 1.00 0.00 O ATOM 850 NE2 GLN A 52 11.184 -6.139 -6.548 1.00 0.00 N ATOM 0 H GLN A 52 7.545 -6.985 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 52 8.079 -9.541 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.368 -6.651 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.349 -7.807 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.359 -8.760 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.135 -8.435 -6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.806 -6.478 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.774 -5.307 -6.531 1.00 0.00 H new ATOM 859 N GLN A 53 5.399 -7.889 -5.326 1.00 0.00 N ATOM 860 CA GLN A 53 4.141 -8.008 -4.597 1.00 0.00 C ATOM 861 C GLN A 53 3.376 -9.254 -5.032 1.00 0.00 C ATOM 862 O GLN A 53 2.812 -9.969 -4.205 1.00 0.00 O ATOM 863 CB GLN A 53 3.279 -6.763 -4.817 1.00 0.00 C ATOM 864 CG GLN A 53 3.594 -5.628 -3.855 1.00 0.00 C ATOM 865 CD GLN A 53 2.641 -4.459 -4.003 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.424 -4.636 -4.050 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.192 -3.253 -4.081 1.00 0.00 N ATOM 0 H GLN A 53 5.491 -7.032 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 53 4.372 -8.098 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.418 -6.411 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.229 -7.035 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.550 -6.001 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.614 -5.284 -4.025 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.206 -3.152 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.601 -2.428 -4.184 1.00 0.00 H new ATOM 876 N LEU A 54 3.362 -9.507 -6.336 1.00 0.00 N ATOM 877 CA LEU A 54 2.668 -10.667 -6.883 1.00 0.00 C ATOM 878 C LEU A 54 3.662 -11.734 -7.329 1.00 0.00 C ATOM 879 O LEU A 54 3.455 -12.407 -8.339 1.00 0.00 O ATOM 880 CB LEU A 54 1.785 -10.251 -8.061 1.00 0.00 C ATOM 881 CG LEU A 54 0.720 -9.203 -7.734 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.348 -8.415 -8.979 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.509 -9.864 -7.131 1.00 0.00 C ATOM 0 H LEU A 54 3.824 -8.924 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 54 2.039 -11.087 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.424 -9.863 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.290 -11.139 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 54 1.131 -8.510 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.411 -7.674 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.233 -7.911 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.045 -9.094 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.257 -9.104 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.923 -10.580 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.230 -10.383 -6.214 1.00 0.00 H new ATOM 895 N LYS A 55 4.742 -11.883 -6.569 1.00 0.00 N ATOM 896 CA LYS A 55 5.769 -12.869 -6.885 1.00 0.00 C ATOM 897 C LYS A 55 5.533 -14.167 -6.119 1.00 0.00 C ATOM 898 O LYS A 55 5.851 -15.252 -6.603 1.00 0.00 O ATOM 899 CB LYS A 55 7.158 -12.310 -6.560 1.00 0.00 C ATOM 900 CG LYS A 55 8.050 -12.150 -7.782 1.00 0.00 C ATOM 901 CD LYS A 55 9.288 -13.028 -7.690 1.00 0.00 C ATOM 902 CE LYS A 55 10.519 -12.310 -8.221 1.00 0.00 C ATOM 903 NZ LYS A 55 11.721 -13.190 -8.214 1.00 0.00 N ATOM 0 H LYS A 55 4.929 -11.334 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 55 5.714 -13.087 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.046 -11.341 -6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.649 -12.971 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.487 -12.406 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.350 -11.107 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.454 -13.318 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.128 -13.946 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.328 -11.964 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.713 -11.425 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.539 -12.664 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.919 -13.500 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.546 -14.022 -8.813 1.00 0.00 H new ATOM 917 N ALA A 56 4.973 -14.046 -4.919 1.00 0.00 N ATOM 918 CA ALA A 56 4.695 -15.209 -4.087 1.00 0.00 C ATOM 919 C ALA A 56 3.619 -16.089 -4.715 1.00 0.00 C ATOM 920 O ALA A 56 3.618 -17.307 -4.540 1.00 0.00 O ATOM 921 CB ALA A 56 4.272 -14.771 -2.693 1.00 0.00 C ATOM 0 H ALA A 56 4.704 -13.155 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 56 5.610 -15.797 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.067 -15.650 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.073 -14.190 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.373 -14.159 -2.761 1.00 0.00 H new ATOM 927 N ARG A 57 2.704 -15.462 -5.449 1.00 0.00 N ATOM 928 CA ARG A 57 1.623 -16.188 -6.105 1.00 0.00 C ATOM 929 C ARG A 57 2.133 -16.926 -7.338 1.00 0.00 C ATOM 930 O ARG A 57 1.891 -18.122 -7.502 1.00 0.00 O ATOM 931 CB ARG A 57 0.502 -15.226 -6.500 1.00 0.00 C ATOM 932 CG ARG A 57 -0.223 -14.613 -5.312 1.00 0.00 C ATOM 933 CD ARG A 57 -0.692 -13.200 -5.616 1.00 0.00 C ATOM 934 NE ARG A 57 -1.466 -12.632 -4.515 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.747 -12.915 -4.287 1.00 0.00 C ATOM 936 NH1 ARG A 57 -3.399 -13.760 -5.077 1.00 0.00 N ATOM 937 NH2 ARG A 57 -3.377 -12.354 -3.263 1.00 0.00 N ATOM 0 H ARG A 57 2.690 -14.454 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 57 1.232 -16.922 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.920 -14.426 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.220 -15.758 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.080 -15.233 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.440 -14.599 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.172 -12.566 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.300 -13.206 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.998 -11.981 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.919 -14.196 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.380 -13.973 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.880 -11.707 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.358 -12.570 -3.088 1.00 0.00 H new ATOM 951 N PHE A 58 2.840 -16.206 -8.203 1.00 0.00 N ATOM 952 CA PHE A 58 3.384 -16.792 -9.422 1.00 0.00 C ATOM 953 C PHE A 58 4.341 -15.821 -10.110 1.00 0.00 C ATOM 954 O PHE A 58 4.798 -14.853 -9.503 1.00 0.00 O ATOM 955 CB PHE A 58 2.246 -17.184 -10.371 1.00 0.00 C ATOM 956 CG PHE A 58 1.511 -16.010 -10.952 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.851 -15.112 -10.129 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.481 -15.804 -12.322 1.00 0.00 C ATOM 959 CE1 PHE A 58 0.175 -14.031 -10.660 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.805 -14.724 -12.859 1.00 0.00 C ATOM 961 CZ PHE A 58 0.151 -13.837 -12.028 1.00 0.00 C ATOM 0 H PHE A 58 3.050 -15.215 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 58 3.944 -17.688 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.654 -17.784 -11.184 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.538 -17.815 -9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.865 -15.259 -9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.991 -16.494 -12.977 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.334 -13.338 -10.007 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.789 -14.574 -13.928 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.378 -12.993 -12.446 1.00 0.00 H new ATOM 971 N LEU A 59 4.644 -16.086 -11.378 1.00 0.00 N ATOM 972 CA LEU A 59 5.549 -15.235 -12.144 1.00 0.00 C ATOM 973 C LEU A 59 4.767 -14.210 -12.968 1.00 0.00 C ATOM 974 O LEU A 59 4.187 -14.550 -13.999 1.00 0.00 O ATOM 975 CB LEU A 59 6.423 -16.089 -13.064 1.00 0.00 C ATOM 976 CG LEU A 59 7.361 -15.303 -13.982 1.00 0.00 C ATOM 977 CD1 LEU A 59 8.528 -14.735 -13.191 1.00 0.00 C ATOM 978 CD2 LEU A 59 7.862 -16.189 -15.113 1.00 0.00 C ATOM 0 H LEU A 59 4.276 -16.883 -11.897 1.00 0.00 H new ATOM 0 HA LEU A 59 6.187 -14.697 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.021 -16.762 -12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.775 -16.712 -13.680 1.00 0.00 H new ATOM 0 HG LEU A 59 6.804 -14.472 -14.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.185 -14.179 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.152 -14.068 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.086 -15.550 -12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.528 -15.615 -15.757 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.403 -17.039 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.014 -16.549 -15.696 1.00 0.00 H new ATOM 990 N PRO A 60 4.739 -12.940 -12.524 1.00 0.00 N ATOM 991 CA PRO A 60 4.021 -11.874 -13.230 1.00 0.00 C ATOM 992 C PRO A 60 4.758 -11.405 -14.480 1.00 0.00 C ATOM 993 O PRO A 60 4.150 -11.205 -15.532 1.00 0.00 O ATOM 994 CB PRO A 60 3.959 -10.752 -12.196 1.00 0.00 C ATOM 995 CG PRO A 60 5.172 -10.953 -11.356 1.00 0.00 C ATOM 996 CD PRO A 60 5.399 -12.440 -11.300 1.00 0.00 C ATOM 0 HA PRO A 60 3.045 -12.204 -13.585 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.964 -9.772 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.049 -10.812 -11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.034 -10.443 -11.787 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.026 -10.543 -10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.462 -12.683 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.963 -12.878 -10.402 1.00 0.00 H new ATOM 1004 N SER A 61 6.069 -11.231 -14.358 1.00 0.00 N ATOM 1005 CA SER A 61 6.890 -10.782 -15.478 1.00 0.00 C ATOM 1006 C SER A 61 6.474 -9.381 -15.929 1.00 0.00 C ATOM 1007 O SER A 61 5.334 -9.170 -16.341 1.00 0.00 O ATOM 1008 CB SER A 61 6.773 -11.762 -16.648 1.00 0.00 C ATOM 1009 OG SER A 61 7.158 -13.069 -16.259 1.00 0.00 O ATOM 0 H SER A 61 6.587 -11.394 -13.495 1.00 0.00 H new ATOM 0 HA SER A 61 7.927 -10.746 -15.146 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.746 -11.776 -17.014 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.401 -11.425 -17.473 1.00 0.00 H new ATOM 0 HG SER A 61 7.073 -13.676 -17.023 1.00 0.00 H new ATOM 1015 N PRO A 62 7.394 -8.400 -15.859 1.00 0.00 N ATOM 1016 CA PRO A 62 7.106 -7.019 -16.265 1.00 0.00 C ATOM 1017 C PRO A 62 6.450 -6.939 -17.640 1.00 0.00 C ATOM 1018 O PRO A 62 5.727 -5.989 -17.939 1.00 0.00 O ATOM 1019 CB PRO A 62 8.487 -6.368 -16.297 1.00 0.00 C ATOM 1020 CG PRO A 62 9.291 -7.142 -15.312 1.00 0.00 C ATOM 1021 CD PRO A 62 8.782 -8.556 -15.381 1.00 0.00 C ATOM 0 HA PRO A 62 6.403 -6.534 -15.588 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.926 -6.418 -17.294 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.435 -5.314 -16.025 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.353 -7.097 -15.554 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.176 -6.734 -14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.376 -9.163 -16.064 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.819 -9.044 -14.407 1.00 0.00 H new ATOM 1029 N VAL A 63 6.711 -7.942 -18.471 1.00 0.00 N ATOM 1030 CA VAL A 63 6.151 -7.995 -19.821 1.00 0.00 C ATOM 1031 C VAL A 63 4.664 -7.641 -19.827 1.00 0.00 C ATOM 1032 O VAL A 63 4.253 -6.666 -20.455 1.00 0.00 O ATOM 1033 CB VAL A 63 6.335 -9.389 -20.449 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.919 -9.378 -21.912 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.775 -9.856 -20.301 1.00 0.00 C ATOM 0 H VAL A 63 7.309 -8.734 -18.234 1.00 0.00 H new ATOM 0 HA VAL A 63 6.695 -7.258 -20.412 1.00 0.00 H new ATOM 0 HB VAL A 63 5.692 -10.092 -19.919 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.057 -10.372 -22.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.870 -9.092 -21.990 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.532 -8.662 -22.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.886 -10.843 -20.751 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.439 -9.152 -20.803 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.034 -9.908 -19.243 1.00 0.00 H new ATOM 1045 N VAL A 64 3.866 -8.438 -19.124 1.00 0.00 N ATOM 1046 CA VAL A 64 2.429 -8.206 -19.051 1.00 0.00 C ATOM 1047 C VAL A 64 2.120 -6.918 -18.294 1.00 0.00 C ATOM 1048 O VAL A 64 1.151 -6.223 -18.600 1.00 0.00 O ATOM 1049 CB VAL A 64 1.703 -9.381 -18.370 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.859 -10.652 -19.190 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.220 -9.583 -16.953 1.00 0.00 C ATOM 0 H VAL A 64 4.190 -9.249 -18.597 1.00 0.00 H new ATOM 0 HA VAL A 64 2.069 -8.116 -20.076 1.00 0.00 H new ATOM 0 HB VAL A 64 0.641 -9.142 -18.311 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.340 -11.471 -18.693 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.433 -10.500 -20.182 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.917 -10.897 -19.284 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.694 -10.418 -16.489 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.288 -9.798 -16.983 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.048 -8.678 -16.371 1.00 0.00 H new ATOM 1061 N ILE A 65 2.952 -6.605 -17.307 1.00 0.00 N ATOM 1062 CA ILE A 65 2.772 -5.400 -16.505 1.00 0.00 C ATOM 1063 C ILE A 65 2.839 -4.148 -17.378 1.00 0.00 C ATOM 1064 O ILE A 65 1.946 -3.303 -17.334 1.00 0.00 O ATOM 1065 CB ILE A 65 3.837 -5.312 -15.388 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.613 -6.421 -14.358 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.806 -3.947 -14.713 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.885 -6.892 -13.689 1.00 0.00 C ATOM 0 H ILE A 65 3.759 -7.170 -17.043 1.00 0.00 H new ATOM 0 HA ILE A 65 1.785 -5.458 -16.046 1.00 0.00 H new ATOM 0 HB ILE A 65 4.820 -5.443 -15.840 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.922 -6.062 -13.595 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.135 -7.269 -14.848 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.564 -3.910 -13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.009 -3.171 -15.451 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.823 -3.781 -14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.649 -7.678 -12.972 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.570 -7.281 -14.442 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.354 -6.056 -13.170 1.00 0.00 H new ATOM 1080 N LYS A 66 3.902 -4.037 -18.168 1.00 0.00 N ATOM 1081 CA LYS A 66 4.084 -2.888 -19.050 1.00 0.00 C ATOM 1082 C LYS A 66 2.855 -2.668 -19.926 1.00 0.00 C ATOM 1083 O LYS A 66 2.417 -1.536 -20.126 1.00 0.00 O ATOM 1084 CB LYS A 66 5.320 -3.087 -19.929 1.00 0.00 C ATOM 1085 CG LYS A 66 6.618 -3.164 -19.143 1.00 0.00 C ATOM 1086 CD LYS A 66 7.800 -3.461 -20.049 1.00 0.00 C ATOM 1087 CE LYS A 66 7.866 -4.936 -20.414 1.00 0.00 C ATOM 1088 NZ LYS A 66 9.268 -5.435 -20.461 1.00 0.00 N ATOM 0 H LYS A 66 4.651 -4.728 -18.216 1.00 0.00 H new ATOM 0 HA LYS A 66 4.224 -2.004 -18.427 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.200 -4.003 -20.508 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.385 -2.265 -20.642 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.785 -2.221 -18.622 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.538 -3.940 -18.381 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.723 -2.863 -20.957 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.724 -3.167 -19.552 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.299 -5.516 -19.686 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.393 -5.091 -21.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.269 -6.444 -20.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.803 -4.899 -21.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.712 -5.311 -19.529 1.00 0.00 H new ATOM 1102 N LYS A 67 2.302 -3.760 -20.444 1.00 0.00 N ATOM 1103 CA LYS A 67 1.123 -3.688 -21.298 1.00 0.00 C ATOM 1104 C LYS A 67 -0.107 -3.277 -20.494 1.00 0.00 C ATOM 1105 O LYS A 67 -0.978 -2.564 -20.993 1.00 0.00 O ATOM 1106 CB LYS A 67 0.876 -5.037 -21.976 1.00 0.00 C ATOM 1107 CG LYS A 67 -0.198 -4.990 -23.052 1.00 0.00 C ATOM 1108 CD LYS A 67 -0.288 -6.307 -23.805 1.00 0.00 C ATOM 1109 CE LYS A 67 0.826 -6.441 -24.831 1.00 0.00 C ATOM 1110 NZ LYS A 67 0.454 -5.833 -26.139 1.00 0.00 N ATOM 0 H LYS A 67 2.652 -4.705 -20.287 1.00 0.00 H new ATOM 0 HA LYS A 67 1.304 -2.932 -22.062 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.808 -5.387 -22.420 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.589 -5.767 -21.219 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.162 -4.763 -22.596 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.021 -4.184 -23.752 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.235 -7.135 -23.099 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.254 -6.376 -24.305 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.728 -5.962 -24.452 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.062 -7.495 -24.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.240 -5.946 -26.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.392 -6.307 -26.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.254 -4.821 -26.007 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.172 -3.732 -19.246 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.295 -3.412 -18.373 1.00 0.00 C ATOM 1126 C ARG A 68 -1.346 -1.917 -18.074 1.00 0.00 C ATOM 1127 O ARG A 68 -2.421 -1.319 -18.029 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.194 -4.206 -17.067 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.240 -5.301 -16.938 1.00 0.00 C ATOM 1130 CD ARG A 68 -1.936 -6.474 -17.857 1.00 0.00 C ATOM 1131 NE ARG A 68 -2.289 -6.189 -19.245 1.00 0.00 N ATOM 1132 CZ ARG A 68 -3.530 -6.257 -19.725 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -4.538 -6.596 -18.930 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -3.763 -5.983 -21.002 1.00 0.00 N ATOM 0 H ARG A 68 0.540 -4.323 -18.817 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.215 -3.689 -18.888 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.202 -4.653 -16.999 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.293 -3.520 -16.226 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.280 -5.647 -15.905 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.223 -4.896 -17.177 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.875 -6.717 -17.796 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.484 -7.352 -17.517 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.541 -5.922 -19.885 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.364 -6.806 -17.947 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.486 -6.647 -19.302 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.992 -5.720 -21.616 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.713 -6.035 -21.370 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.177 -1.317 -17.870 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.091 0.109 -17.575 1.00 0.00 C ATOM 1150 C ILE A 69 -0.568 0.943 -18.761 1.00 0.00 C ATOM 1151 O ILE A 69 -1.317 1.904 -18.594 1.00 0.00 O ATOM 1152 CB ILE A 69 1.349 0.524 -17.208 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.875 -0.337 -16.057 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.406 2.001 -16.839 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.367 -0.209 -15.838 1.00 0.00 C ATOM 0 H ILE A 69 0.723 -1.796 -17.904 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.740 0.296 -16.719 1.00 0.00 H new ATOM 0 HB ILE A 69 1.985 0.365 -18.079 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.356 -0.059 -15.140 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.634 -1.381 -16.256 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.430 2.273 -16.584 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.072 2.601 -17.686 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.757 2.188 -15.983 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.669 -0.847 -15.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.895 -0.515 -16.741 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.613 0.828 -15.608 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.128 0.567 -19.959 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.510 1.281 -21.173 1.00 0.00 C ATOM 1169 C GLU A 70 -2.028 1.337 -21.316 1.00 0.00 C ATOM 1170 O GLU A 70 -2.578 2.310 -21.833 1.00 0.00 O ATOM 1171 CB GLU A 70 0.108 0.606 -22.398 1.00 0.00 C ATOM 1172 CG GLU A 70 -0.260 1.275 -23.713 1.00 0.00 C ATOM 1173 CD GLU A 70 0.901 1.322 -24.687 1.00 0.00 C ATOM 1174 OE1 GLU A 70 1.761 0.418 -24.631 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.950 2.264 -25.506 1.00 0.00 O ATOM 0 H GLU A 70 0.493 -0.227 -20.115 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.134 2.302 -21.101 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.193 0.604 -22.292 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.211 -0.436 -22.428 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.091 0.738 -24.170 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.606 2.290 -23.516 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.700 0.289 -20.852 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.147 0.240 -20.936 1.00 0.00 C ATOM 1184 C GLY A 71 -4.818 1.058 -19.848 1.00 0.00 C ATOM 1185 O GLY A 71 -5.889 1.626 -20.062 1.00 0.00 O ATOM 0 H GLY A 71 -2.268 -0.527 -20.419 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.464 0.608 -21.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.477 -0.796 -20.864 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.187 1.116 -18.680 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.728 1.869 -17.555 1.00 0.00 C ATOM 1191 C LEU A 72 -4.788 3.359 -17.876 1.00 0.00 C ATOM 1192 O LEU A 72 -5.783 4.025 -17.592 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.879 1.637 -16.303 1.00 0.00 C ATOM 1194 CG LEU A 72 -3.936 0.218 -15.737 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.742 -0.046 -14.833 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.238 -0.001 -14.980 1.00 0.00 C ATOM 0 H LEU A 72 -3.300 0.650 -18.488 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.742 1.516 -17.367 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.842 1.878 -16.536 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.202 2.334 -15.529 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.898 -0.486 -16.569 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.801 -1.061 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.821 0.069 -15.404 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.748 0.664 -14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.262 -1.016 -14.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.305 0.711 -14.158 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.081 0.145 -15.656 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.718 3.877 -18.471 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.655 5.288 -18.831 1.00 0.00 C ATOM 1210 C ILE A 73 -4.777 5.656 -19.796 1.00 0.00 C ATOM 1211 O ILE A 73 -5.358 6.737 -19.708 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.299 5.649 -19.471 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.148 5.191 -18.572 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.216 7.147 -19.732 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.222 5.531 -19.118 1.00 0.00 C ATOM 0 H ILE A 73 -2.884 3.341 -18.713 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.771 5.856 -17.908 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.215 5.131 -20.426 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.262 5.649 -17.589 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.216 4.112 -18.431 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.253 7.385 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.017 7.443 -20.409 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.318 7.687 -18.790 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.987 5.176 -18.428 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.357 5.051 -20.087 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.310 6.611 -19.233 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.078 4.746 -20.718 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.132 4.972 -21.701 1.00 0.00 C ATOM 1229 C GLU A 74 -7.515 4.884 -21.057 1.00 0.00 C ATOM 1230 O GLU A 74 -8.499 5.367 -21.616 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.022 3.955 -22.838 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.942 4.253 -24.010 1.00 0.00 C ATOM 1233 CD GLU A 74 -6.668 3.362 -25.206 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -5.809 3.727 -26.036 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -7.314 2.297 -25.313 1.00 0.00 O ATOM 0 H GLU A 74 -4.607 3.845 -20.805 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.005 5.977 -22.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.992 3.929 -23.193 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.251 2.962 -22.450 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.978 4.125 -23.696 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.824 5.296 -24.304 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.585 4.265 -19.881 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.851 4.118 -19.171 1.00 0.00 C ATOM 1244 C ARG A 75 -9.057 5.248 -18.164 1.00 0.00 C ATOM 1245 O ARG A 75 -9.823 5.107 -17.211 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.901 2.767 -18.454 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.493 1.652 -19.300 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.754 0.340 -19.090 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.389 -0.765 -19.806 1.00 0.00 N ATOM 1250 CZ ARG A 75 -10.471 -1.406 -19.369 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -11.043 -1.055 -18.223 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -10.983 -2.401 -20.080 1.00 0.00 N ATOM 0 H ARG A 75 -6.782 3.858 -19.401 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.654 4.167 -19.906 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.891 2.487 -18.153 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.488 2.871 -17.542 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.545 1.522 -19.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.450 1.931 -20.353 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.723 0.446 -19.427 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.719 0.110 -18.025 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.979 -1.062 -20.692 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.654 -0.290 -17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.872 -1.550 -17.894 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.548 -2.675 -20.961 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.812 -2.893 -19.746 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.374 6.369 -18.382 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.489 7.519 -17.493 1.00 0.00 C ATOM 1268 C GLU A 76 -8.132 7.145 -16.057 1.00 0.00 C ATOM 1269 O GLU A 76 -8.629 7.750 -15.106 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.909 8.087 -17.544 1.00 0.00 C ATOM 1271 CG GLU A 76 -10.008 9.521 -17.049 1.00 0.00 C ATOM 1272 CD GLU A 76 -9.482 10.523 -18.058 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -8.498 10.201 -18.757 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -10.054 11.629 -18.149 1.00 0.00 O ATOM 0 H GLU A 76 -7.736 6.504 -19.166 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.785 8.278 -17.834 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.274 8.039 -18.570 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.565 7.458 -16.943 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.049 9.752 -16.821 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.449 9.620 -16.119 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.266 6.148 -15.905 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.842 5.700 -14.584 1.00 0.00 C ATOM 1283 C TYR A 77 -5.476 6.277 -14.230 1.00 0.00 C ATOM 1284 O TYR A 77 -5.309 6.909 -13.187 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.798 4.173 -14.528 1.00 0.00 C ATOM 1286 CG TYR A 77 -8.125 3.541 -14.169 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.889 4.035 -13.120 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.612 2.451 -14.879 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -10.102 3.461 -12.788 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.823 1.872 -14.555 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.564 2.380 -13.509 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.771 1.805 -13.183 1.00 0.00 O ATOM 0 H TYR A 77 -6.845 5.636 -16.680 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.568 6.059 -13.854 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.474 3.792 -15.496 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.050 3.866 -13.797 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.530 4.882 -12.554 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.034 2.050 -15.698 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.684 3.857 -11.969 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.188 1.026 -15.118 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.950 1.056 -13.788 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.502 6.055 -15.106 1.00 0.00 N ATOM 1303 CA LEU A 78 -3.149 6.555 -14.888 1.00 0.00 C ATOM 1304 C LEU A 78 -2.759 7.553 -15.974 1.00 0.00 C ATOM 1305 O LEU A 78 -3.543 7.837 -16.879 1.00 0.00 O ATOM 1306 CB LEU A 78 -2.151 5.396 -14.863 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.558 4.210 -13.986 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.455 3.163 -13.960 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.886 4.676 -12.576 1.00 0.00 C ATOM 0 H LEU A 78 -4.624 5.532 -15.973 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.127 7.064 -13.924 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.004 5.041 -15.883 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.189 5.772 -14.515 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.452 3.757 -14.414 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.762 2.327 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.268 2.806 -14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.544 3.605 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.173 3.819 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.010 5.155 -12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.710 5.389 -12.611 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.545 8.084 -15.875 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.055 9.051 -16.850 1.00 0.00 C ATOM 1323 C ALA A 79 0.469 9.089 -16.870 1.00 0.00 C ATOM 1324 O ALA A 79 1.129 8.286 -16.211 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.615 10.433 -16.549 1.00 0.00 C ATOM 0 H ALA A 79 -0.884 7.862 -15.131 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.397 8.739 -17.837 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.241 11.145 -17.285 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.704 10.402 -16.594 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.302 10.743 -15.552 1.00 0.00 H new ATOM 1331 N ARG A 80 1.022 10.028 -17.632 1.00 0.00 N ATOM 1332 CA ARG A 80 2.469 10.174 -17.740 1.00 0.00 C ATOM 1333 C ARG A 80 2.899 11.594 -17.385 1.00 0.00 C ATOM 1334 O ARG A 80 2.153 12.550 -17.599 1.00 0.00 O ATOM 1335 CB ARG A 80 2.931 9.832 -19.158 1.00 0.00 C ATOM 1336 CG ARG A 80 3.245 8.358 -19.359 1.00 0.00 C ATOM 1337 CD ARG A 80 3.987 8.123 -20.666 1.00 0.00 C ATOM 1338 NE ARG A 80 3.077 7.809 -21.765 1.00 0.00 N ATOM 1339 CZ ARG A 80 2.667 6.578 -22.065 1.00 0.00 C ATOM 1340 NH1 ARG A 80 3.075 5.538 -21.347 1.00 0.00 N ATOM 1341 NH2 ARG A 80 1.843 6.385 -23.086 1.00 0.00 N ATOM 0 H ARG A 80 0.489 10.700 -18.184 1.00 0.00 H new ATOM 0 HA ARG A 80 2.933 9.484 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.156 10.129 -19.865 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.819 10.419 -19.393 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.848 7.996 -18.526 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.319 7.783 -19.356 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.567 9.011 -20.918 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.696 7.305 -20.538 1.00 0.00 H new ATOM 0 HE ARG A 80 2.735 8.580 -22.338 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.707 5.679 -20.559 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.756 4.598 -21.584 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.524 7.179 -23.641 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.529 5.442 -23.316 1.00 0.00 H new ATOM 1355 N THR A 81 4.105 11.726 -16.843 1.00 0.00 N ATOM 1356 CA THR A 81 4.632 13.031 -16.462 1.00 0.00 C ATOM 1357 C THR A 81 5.197 13.766 -17.675 1.00 0.00 C ATOM 1358 O THR A 81 5.616 13.141 -18.649 1.00 0.00 O ATOM 1359 CB THR A 81 5.715 12.877 -15.395 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.861 12.242 -15.932 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.263 12.071 -14.195 1.00 0.00 C ATOM 0 H THR A 81 4.735 10.946 -16.658 1.00 0.00 H new ATOM 0 HA THR A 81 3.811 13.620 -16.053 1.00 0.00 H new ATOM 0 HB THR A 81 5.943 13.891 -15.066 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.591 11.633 -16.651 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.079 12.000 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.409 12.562 -13.728 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.975 11.070 -14.517 1.00 0.00 H new ATOM 1369 N PRO A 82 5.216 15.110 -17.630 1.00 0.00 N ATOM 1370 CA PRO A 82 5.734 15.929 -18.732 1.00 0.00 C ATOM 1371 C PRO A 82 7.243 15.781 -18.903 1.00 0.00 C ATOM 1372 O PRO A 82 7.773 15.953 -20.001 1.00 0.00 O ATOM 1373 CB PRO A 82 5.381 17.358 -18.312 1.00 0.00 C ATOM 1374 CG PRO A 82 5.268 17.302 -16.828 1.00 0.00 C ATOM 1375 CD PRO A 82 4.737 15.934 -16.506 1.00 0.00 C ATOM 0 HA PRO A 82 5.308 15.636 -19.692 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.151 18.063 -18.624 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.446 17.685 -18.768 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.237 17.466 -16.356 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.598 18.078 -16.458 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.116 15.570 -15.551 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.649 15.930 -16.440 1.00 0.00 H new ATOM 1383 N GLU A 83 7.929 15.461 -17.811 1.00 0.00 N ATOM 1384 CA GLU A 83 9.377 15.290 -17.841 1.00 0.00 C ATOM 1385 C GLU A 83 9.757 14.008 -18.574 1.00 0.00 C ATOM 1386 O GLU A 83 10.335 14.051 -19.659 1.00 0.00 O ATOM 1387 CB GLU A 83 9.938 15.264 -16.417 1.00 0.00 C ATOM 1388 CG GLU A 83 10.315 16.638 -15.888 1.00 0.00 C ATOM 1389 CD GLU A 83 11.134 16.564 -14.613 1.00 0.00 C ATOM 1390 OE1 GLU A 83 11.949 15.627 -14.484 1.00 0.00 O ATOM 1391 OE2 GLU A 83 10.959 17.445 -13.745 1.00 0.00 O ATOM 0 H GLU A 83 7.506 15.315 -16.894 1.00 0.00 H new ATOM 0 HA GLU A 83 9.808 16.135 -18.378 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.199 14.818 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.817 14.621 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.881 17.174 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.408 17.213 -15.701 1.00 0.00 H new ATOM 1398 N ASP A 84 9.431 12.870 -17.972 1.00 0.00 N ATOM 1399 CA ASP A 84 9.740 11.574 -18.568 1.00 0.00 C ATOM 1400 C ASP A 84 8.497 10.689 -18.624 1.00 0.00 C ATOM 1401 O ASP A 84 7.668 10.708 -17.715 1.00 0.00 O ATOM 1402 CB ASP A 84 10.845 10.876 -17.774 1.00 0.00 C ATOM 1403 CG ASP A 84 11.929 10.310 -18.669 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.368 11.025 -19.595 1.00 0.00 O ATOM 1405 OD2 ASP A 84 12.341 9.152 -18.444 1.00 0.00 O ATOM 0 H ASP A 84 8.953 12.818 -17.072 1.00 0.00 H new ATOM 0 HA ASP A 84 10.087 11.743 -19.587 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.288 11.584 -17.074 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.410 10.071 -17.181 1.00 0.00 H new ATOM 1410 N ARG A 85 8.377 9.916 -19.698 1.00 0.00 N ATOM 1411 CA ARG A 85 7.236 9.024 -19.875 1.00 0.00 C ATOM 1412 C ARG A 85 7.304 7.850 -18.903 1.00 0.00 C ATOM 1413 O ARG A 85 6.280 7.264 -18.552 1.00 0.00 O ATOM 1414 CB ARG A 85 7.186 8.507 -21.313 1.00 0.00 C ATOM 1415 CG ARG A 85 8.504 7.917 -21.793 1.00 0.00 C ATOM 1416 CD ARG A 85 8.349 6.462 -22.207 1.00 0.00 C ATOM 1417 NE ARG A 85 9.466 6.005 -23.032 1.00 0.00 N ATOM 1418 CZ ARG A 85 9.586 6.272 -24.330 1.00 0.00 C ATOM 1419 NH1 ARG A 85 8.663 6.994 -24.955 1.00 0.00 N ATOM 1420 NH2 ARG A 85 10.632 5.818 -25.007 1.00 0.00 N ATOM 0 H ARG A 85 9.055 9.889 -20.459 1.00 0.00 H new ATOM 0 HA ARG A 85 6.329 9.591 -19.667 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.408 7.748 -21.391 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.901 9.325 -21.975 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.877 8.498 -22.636 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.247 7.993 -21.000 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.277 5.838 -21.317 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.417 6.339 -22.759 1.00 0.00 H new ATOM 0 HE ARG A 85 10.196 5.449 -22.587 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.857 7.347 -24.440 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.761 7.195 -25.950 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.345 5.264 -24.533 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.724 6.023 -26.002 1.00 0.00 H new ATOM 1434 N LYS A 86 8.515 7.509 -18.472 1.00 0.00 N ATOM 1435 CA LYS A 86 8.714 6.403 -17.542 1.00 0.00 C ATOM 1436 C LYS A 86 7.910 6.612 -16.262 1.00 0.00 C ATOM 1437 O LYS A 86 7.485 5.649 -15.621 1.00 0.00 O ATOM 1438 CB LYS A 86 10.199 6.252 -17.208 1.00 0.00 C ATOM 1439 CG LYS A 86 10.926 5.262 -18.106 1.00 0.00 C ATOM 1440 CD LYS A 86 12.178 5.872 -18.717 1.00 0.00 C ATOM 1441 CE LYS A 86 13.424 5.483 -17.938 1.00 0.00 C ATOM 1442 NZ LYS A 86 14.658 5.623 -18.761 1.00 0.00 N ATOM 0 H LYS A 86 9.373 7.983 -18.752 1.00 0.00 H new ATOM 0 HA LYS A 86 8.362 5.490 -18.023 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.682 7.226 -17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.299 5.931 -16.171 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.196 4.378 -17.529 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.257 4.932 -18.901 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.277 5.543 -19.751 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.083 6.958 -18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.507 6.109 -17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.331 4.453 -17.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.486 5.348 -18.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.590 5.007 -19.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.761 6.612 -19.067 1.00 0.00 H new ATOM 1456 N VAL A 87 7.705 7.872 -15.893 1.00 0.00 N ATOM 1457 CA VAL A 87 6.951 8.202 -14.689 1.00 0.00 C ATOM 1458 C VAL A 87 5.455 8.253 -14.976 1.00 0.00 C ATOM 1459 O VAL A 87 5.037 8.526 -16.103 1.00 0.00 O ATOM 1460 CB VAL A 87 7.394 9.554 -14.099 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.734 9.791 -12.749 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.911 9.618 -13.978 1.00 0.00 C ATOM 0 H VAL A 87 8.050 8.681 -16.410 1.00 0.00 H new ATOM 0 HA VAL A 87 7.154 7.414 -13.964 1.00 0.00 H new ATOM 0 HB VAL A 87 7.075 10.345 -14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.059 10.751 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.651 9.797 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.018 8.995 -12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.202 10.581 -13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.258 8.818 -13.324 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.360 9.501 -14.964 1.00 0.00 H new ATOM 1472 N TYR A 88 4.651 7.991 -13.951 1.00 0.00 N ATOM 1473 CA TYR A 88 3.201 8.008 -14.095 1.00 0.00 C ATOM 1474 C TYR A 88 2.540 8.666 -12.888 1.00 0.00 C ATOM 1475 O TYR A 88 3.129 8.741 -11.810 1.00 0.00 O ATOM 1476 CB TYR A 88 2.668 6.585 -14.270 1.00 0.00 C ATOM 1477 CG TYR A 88 3.380 5.798 -15.346 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.440 6.267 -16.653 1.00 0.00 C ATOM 1479 CD2 TYR A 88 3.993 4.585 -15.056 1.00 0.00 C ATOM 1480 CE1 TYR A 88 4.090 5.550 -17.640 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.645 3.862 -16.037 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.691 4.349 -17.326 1.00 0.00 C ATOM 1483 OH TYR A 88 5.338 3.632 -18.306 1.00 0.00 O ATOM 0 H TYR A 88 4.979 7.765 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 88 2.957 8.592 -14.982 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.759 6.053 -13.323 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.605 6.631 -14.509 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.971 7.207 -16.902 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.959 4.201 -14.047 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.127 5.928 -18.651 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.116 2.921 -15.795 1.00 0.00 H new ATOM 0 HH TYR A 88 5.816 2.879 -17.899 1.00 0.00 H new ATOM 1493 N THR A 89 1.314 9.143 -13.078 1.00 0.00 N ATOM 1494 CA THR A 89 0.572 9.795 -12.006 1.00 0.00 C ATOM 1495 C THR A 89 -0.878 9.324 -11.983 1.00 0.00 C ATOM 1496 O THR A 89 -1.455 9.009 -13.024 1.00 0.00 O ATOM 1497 CB THR A 89 0.625 11.315 -12.172 1.00 0.00 C ATOM 1498 OG1 THR A 89 0.111 11.698 -13.435 1.00 0.00 O ATOM 1499 CG2 THR A 89 2.023 11.882 -12.055 1.00 0.00 C ATOM 0 H THR A 89 0.813 9.090 -13.965 1.00 0.00 H new ATOM 0 HA THR A 89 1.038 9.524 -11.059 1.00 0.00 H new ATOM 0 HB THR A 89 0.019 11.716 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.151 12.673 -13.523 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.989 12.964 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.431 11.645 -11.072 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.658 11.446 -12.826 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.461 9.277 -10.790 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.844 8.844 -10.631 1.00 0.00 C ATOM 1509 C TYR A 90 -3.810 9.987 -10.923 1.00 0.00 C ATOM 1510 O TYR A 90 -3.795 11.016 -10.246 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.073 8.316 -9.213 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.224 7.341 -9.108 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.219 6.152 -9.827 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.313 7.608 -8.289 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.269 5.258 -9.733 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.366 6.719 -8.188 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.340 5.545 -8.913 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.386 4.658 -8.816 1.00 0.00 O ATOM 0 H TYR A 90 -0.997 9.534 -9.919 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.033 8.043 -11.346 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.162 7.829 -8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.259 9.158 -8.546 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.382 5.923 -10.469 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.337 8.526 -7.721 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.251 4.339 -10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.205 6.942 -7.545 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.058 5.011 -8.196 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.651 9.801 -11.936 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.624 10.817 -12.319 1.00 0.00 C ATOM 1530 C VAL A 91 -7.050 10.338 -12.065 1.00 0.00 C ATOM 1531 O VAL A 91 -7.979 10.720 -12.776 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.483 11.203 -13.803 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -4.297 12.133 -14.003 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -5.347 9.959 -14.662 1.00 0.00 C ATOM 0 H VAL A 91 -4.678 8.956 -12.506 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.421 11.693 -11.703 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.384 11.734 -14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.214 12.395 -15.058 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.442 13.039 -13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.384 11.633 -13.680 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.248 10.248 -15.708 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.463 9.400 -14.355 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.232 9.334 -14.540 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.214 9.499 -11.048 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.527 8.968 -10.700 1.00 0.00 C ATOM 1546 C ALA A 92 -8.605 8.625 -9.216 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.840 7.742 -11.544 1.00 0.00 C ATOM 0 H ALA A 92 -6.455 9.172 -10.450 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.270 9.738 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.823 7.356 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.835 8.016 -12.599 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.087 6.975 -11.365 1.00 0.00 H new TER 1553 ALA A 92