USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 4 MET CE :methyl -149:sc= -0.526 (180deg=-1.3!) USER MOD Set 1.2: A 63 CYS SG : rot 150:sc= -1.56 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -99:sc= 0.503 USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.13) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -83:sc= 0.731 USER MOD Single : A 25 THR OG1 : rot 50:sc= -0.744 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 120:sc= -0.682 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 64:sc= 0.627 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 149:sc= -1.1 (180deg=-1.51) USER MOD Single : A 48 THR OG1 : rot -145:sc= -0.653 USER MOD Single : A 57 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.069) USER MOD Single : A 61 SER OG : rot 171:sc= 0.986 USER MOD Single : A 64 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.0085) USER MOD Single : A 66 ASN : amide:sc= 0.15 X(o=0.15,f=0) USER MOD Single : A 70 MET CE :methyl -179:sc= -3.7! (180deg=-3.84!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0.297 (180deg=0.0824) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.434 -1.060 -3.269 1.00 0.00 N ATOM 24 CA ASP A 3 8.091 -1.007 -4.569 1.00 0.00 C ATOM 25 C ASP A 3 8.944 -2.250 -4.799 1.00 0.00 C ATOM 26 O ASP A 3 9.074 -2.726 -5.926 1.00 0.00 O ATOM 27 CB ASP A 3 8.959 0.249 -4.675 1.00 0.00 C ATOM 28 CG ASP A 3 8.137 1.503 -4.896 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.920 1.379 -5.149 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.710 2.610 -4.814 1.00 0.00 O ATOM 0 HA ASP A 3 7.318 -0.972 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.547 0.359 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.665 0.131 -5.497 1.00 0.00 H new ATOM 35 N MET A 4 9.524 -2.771 -3.722 1.00 0.00 N ATOM 36 CA MET A 4 10.365 -3.959 -3.807 1.00 0.00 C ATOM 37 C MET A 4 9.891 -5.031 -2.830 1.00 0.00 C ATOM 38 O MET A 4 10.030 -6.225 -3.091 1.00 0.00 O ATOM 39 CB MET A 4 11.824 -3.600 -3.520 1.00 0.00 C ATOM 40 CG MET A 4 12.037 -2.974 -2.152 1.00 0.00 C ATOM 41 SD MET A 4 11.867 -1.179 -2.175 1.00 0.00 S ATOM 42 CE MET A 4 13.193 -0.727 -3.291 1.00 0.00 C ATOM 0 H MET A 4 9.427 -2.389 -2.781 1.00 0.00 H new ATOM 0 HA MET A 4 10.289 -4.355 -4.820 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.433 -4.500 -3.597 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.177 -2.909 -4.286 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.318 -3.394 -1.449 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.030 -3.236 -1.787 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.585 0.252 -3.013 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.990 -1.468 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.812 -0.689 -4.312 1.00 0.00 H new ATOM 52 N GLU A 5 9.333 -4.595 -1.705 1.00 0.00 N ATOM 53 CA GLU A 5 8.840 -5.518 -0.690 1.00 0.00 C ATOM 54 C GLU A 5 7.809 -6.475 -1.279 1.00 0.00 C ATOM 55 O GLU A 5 7.899 -7.690 -1.099 1.00 0.00 O ATOM 56 CB GLU A 5 8.226 -4.745 0.479 1.00 0.00 C ATOM 57 CG GLU A 5 9.224 -4.398 1.571 1.00 0.00 C ATOM 58 CD GLU A 5 9.363 -5.498 2.606 1.00 0.00 C ATOM 59 OE1 GLU A 5 9.072 -6.666 2.274 1.00 0.00 O ATOM 60 OE2 GLU A 5 9.762 -5.189 3.748 1.00 0.00 O ATOM 0 H GLU A 5 9.211 -3.609 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 5 9.685 -6.102 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.780 -3.825 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.419 -5.337 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.197 -4.204 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.912 -3.478 2.064 1.00 0.00 H new ATOM 67 N ARG A 6 6.829 -5.919 -1.984 1.00 0.00 N ATOM 68 CA ARG A 6 5.778 -6.722 -2.598 1.00 0.00 C ATOM 69 C ARG A 6 6.376 -7.822 -3.470 1.00 0.00 C ATOM 70 O ARG A 6 5.757 -8.867 -3.679 1.00 0.00 O ATOM 71 CB ARG A 6 4.854 -5.837 -3.436 1.00 0.00 C ATOM 72 CG ARG A 6 3.561 -6.522 -3.846 1.00 0.00 C ATOM 73 CD ARG A 6 2.492 -5.511 -4.228 1.00 0.00 C ATOM 74 NE ARG A 6 2.066 -4.707 -3.086 1.00 0.00 N ATOM 75 CZ ARG A 6 1.331 -5.182 -2.086 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.943 -6.450 -2.088 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.983 -4.388 -1.081 1.00 0.00 N ATOM 0 H ARG A 6 6.741 -4.916 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 6 5.198 -7.188 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.615 -4.937 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.386 -5.517 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.752 -7.187 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.200 -7.142 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.876 -4.856 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.631 -6.034 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 6 2.348 -3.727 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.209 -7.063 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.379 -6.812 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.280 -3.412 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.419 -4.754 -0.314 1.00 0.00 H new ATOM 91 N ILE A 7 7.580 -7.580 -3.977 1.00 0.00 N ATOM 92 CA ILE A 7 8.260 -8.551 -4.826 1.00 0.00 C ATOM 93 C ILE A 7 9.085 -9.526 -3.994 1.00 0.00 C ATOM 94 O ILE A 7 8.949 -10.742 -4.127 1.00 0.00 O ATOM 95 CB ILE A 7 9.181 -7.857 -5.847 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.574 -6.525 -6.293 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.421 -8.763 -7.046 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.375 -5.826 -7.368 1.00 0.00 C ATOM 0 H ILE A 7 8.105 -6.720 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 7 7.485 -9.100 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 7 10.140 -7.656 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.563 -6.701 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.489 -5.866 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.074 -8.258 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.892 -9.688 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.469 -8.992 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.886 -4.889 -7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.379 -5.618 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.439 -6.466 -8.248 1.00 0.00 H new ATOM 110 N PHE A 8 9.941 -8.984 -3.133 1.00 0.00 N ATOM 111 CA PHE A 8 10.788 -9.807 -2.278 1.00 0.00 C ATOM 112 C PHE A 8 9.962 -10.859 -1.544 1.00 0.00 C ATOM 113 O PHE A 8 10.206 -12.059 -1.674 1.00 0.00 O ATOM 114 CB PHE A 8 11.532 -8.931 -1.268 1.00 0.00 C ATOM 115 CG PHE A 8 12.152 -9.709 -0.142 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.255 -10.517 -0.367 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.633 -9.631 1.140 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.828 -11.234 0.667 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.202 -10.345 2.177 1.00 0.00 C ATOM 120 CZ PHE A 8 13.300 -11.148 1.940 1.00 0.00 C ATOM 0 H PHE A 8 10.066 -7.979 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 8 11.514 -10.318 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.312 -8.374 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.839 -8.198 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.672 -10.587 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.774 -9.005 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.687 -11.861 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.788 -10.275 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.745 -11.708 2.749 1.00 0.00 H new ATOM 130 N LYS A 9 8.983 -10.401 -0.771 1.00 0.00 N ATOM 131 CA LYS A 9 8.119 -11.300 -0.016 1.00 0.00 C ATOM 132 C LYS A 9 7.446 -12.311 -0.940 1.00 0.00 C ATOM 133 O LYS A 9 7.068 -13.402 -0.511 1.00 0.00 O ATOM 134 CB LYS A 9 7.057 -10.502 0.744 1.00 0.00 C ATOM 135 CG LYS A 9 7.573 -9.872 2.026 1.00 0.00 C ATOM 136 CD LYS A 9 6.526 -8.976 2.667 1.00 0.00 C ATOM 137 CE LYS A 9 5.539 -9.779 3.500 1.00 0.00 C ATOM 138 NZ LYS A 9 4.230 -9.083 3.632 1.00 0.00 N ATOM 0 H LYS A 9 8.768 -9.411 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 9 8.737 -11.843 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.669 -9.718 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.222 -11.160 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.862 -10.655 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.469 -9.290 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.017 -8.235 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.989 -8.430 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.386 -10.756 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.958 -9.955 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.585 -9.662 4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.372 -8.162 4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.817 -8.938 2.688 1.00 0.00 H new ATOM 152 N ARG A 10 7.300 -11.941 -2.208 1.00 0.00 N ATOM 153 CA ARG A 10 6.672 -12.816 -3.191 1.00 0.00 C ATOM 154 C ARG A 10 7.610 -13.954 -3.584 1.00 0.00 C ATOM 155 O ARG A 10 7.212 -15.118 -3.612 1.00 0.00 O ATOM 156 CB ARG A 10 6.273 -12.018 -4.434 1.00 0.00 C ATOM 157 CG ARG A 10 4.770 -11.924 -4.641 1.00 0.00 C ATOM 158 CD ARG A 10 4.075 -11.347 -3.419 1.00 0.00 C ATOM 159 NE ARG A 10 2.960 -10.476 -3.783 1.00 0.00 N ATOM 160 CZ ARG A 10 1.808 -10.923 -4.271 1.00 0.00 C ATOM 161 NH1 ARG A 10 1.620 -12.223 -4.451 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.841 -10.069 -4.579 1.00 0.00 N ATOM 0 H ARG A 10 7.608 -11.042 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 10 5.777 -13.245 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.684 -11.012 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.724 -12.480 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.560 -11.300 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.368 -12.914 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.710 -12.160 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.795 -10.785 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 10 3.072 -9.470 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.361 -12.883 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.734 -12.563 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.981 -9.068 -4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.043 -10.413 -4.954 1.00 0.00 H new ATOM 176 N PHE A 11 8.857 -13.608 -3.886 1.00 0.00 N ATOM 177 CA PHE A 11 9.852 -14.600 -4.279 1.00 0.00 C ATOM 178 C PHE A 11 10.367 -15.364 -3.062 1.00 0.00 C ATOM 179 O PHE A 11 10.889 -16.472 -3.187 1.00 0.00 O ATOM 180 CB PHE A 11 11.018 -13.924 -5.003 1.00 0.00 C ATOM 181 CG PHE A 11 10.685 -13.489 -6.401 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.286 -14.415 -7.352 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.769 -12.155 -6.764 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.979 -14.017 -8.640 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.463 -11.751 -8.050 1.00 0.00 C ATOM 186 CZ PHE A 11 10.067 -12.684 -8.989 1.00 0.00 C ATOM 0 H PHE A 11 9.203 -12.649 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 11 9.376 -15.309 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.338 -13.055 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.862 -14.613 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.214 -15.459 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.077 -11.422 -6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.671 -14.748 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.533 -10.708 -8.320 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.827 -12.371 -9.994 1.00 0.00 H new ATOM 196 N ASP A 12 10.217 -14.763 -1.887 1.00 0.00 N ATOM 197 CA ASP A 12 10.666 -15.386 -0.647 1.00 0.00 C ATOM 198 C ASP A 12 9.621 -16.365 -0.121 1.00 0.00 C ATOM 199 O ASP A 12 9.165 -16.252 1.017 1.00 0.00 O ATOM 200 CB ASP A 12 10.959 -14.319 0.408 1.00 0.00 C ATOM 201 CG ASP A 12 11.681 -14.882 1.616 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.102 -16.056 1.562 1.00 0.00 O ATOM 203 OD2 ASP A 12 11.825 -14.148 2.616 1.00 0.00 O ATOM 0 H ASP A 12 9.788 -13.845 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 12 11.582 -15.938 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.563 -13.529 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.023 -13.862 0.728 1.00 0.00 H new ATOM 208 N THR A 13 9.244 -17.327 -0.958 1.00 0.00 N ATOM 209 CA THR A 13 8.251 -18.324 -0.579 1.00 0.00 C ATOM 210 C THR A 13 8.816 -19.735 -0.696 1.00 0.00 C ATOM 211 O THR A 13 8.185 -20.621 -1.270 1.00 0.00 O ATOM 212 CB THR A 13 6.985 -18.217 -1.450 1.00 0.00 C ATOM 213 OG1 THR A 13 7.349 -17.995 -2.817 1.00 0.00 O ATOM 214 CG2 THR A 13 6.091 -17.085 -0.968 1.00 0.00 C ATOM 0 H THR A 13 9.612 -17.436 -1.903 1.00 0.00 H new ATOM 0 HA THR A 13 7.986 -18.126 0.460 1.00 0.00 H new ATOM 0 HB THR A 13 6.434 -19.154 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.269 -17.041 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.203 -17.029 -1.598 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.792 -17.271 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.636 -16.142 -1.023 1.00 0.00 H new ATOM 255 N GLY A 17 15.230 -18.251 3.207 1.00 0.00 N ATOM 256 CA GLY A 17 15.482 -16.840 3.430 1.00 0.00 C ATOM 257 C GLY A 17 15.686 -16.076 2.137 1.00 0.00 C ATOM 258 O GLY A 17 14.942 -15.143 1.833 1.00 0.00 O ATOM 0 HA2 GLY A 17 14.644 -16.406 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.365 -16.727 4.059 1.00 0.00 H new ATOM 262 N LYS A 18 16.698 -16.471 1.372 1.00 0.00 N ATOM 263 CA LYS A 18 16.999 -15.818 0.103 1.00 0.00 C ATOM 264 C LYS A 18 15.941 -16.148 -0.944 1.00 0.00 C ATOM 265 O LYS A 18 15.000 -16.896 -0.674 1.00 0.00 O ATOM 266 CB LYS A 18 18.380 -16.247 -0.399 1.00 0.00 C ATOM 267 CG LYS A 18 19.458 -16.198 0.669 1.00 0.00 C ATOM 268 CD LYS A 18 20.788 -16.713 0.144 1.00 0.00 C ATOM 269 CE LYS A 18 21.574 -15.615 -0.556 1.00 0.00 C ATOM 270 NZ LYS A 18 22.330 -14.771 0.412 1.00 0.00 N ATOM 0 H LYS A 18 17.324 -17.241 1.609 1.00 0.00 H new ATOM 0 HA LYS A 18 16.997 -14.741 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.315 -17.262 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.672 -15.602 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.577 -15.173 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 19.149 -16.795 1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.376 -17.113 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.613 -17.535 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.268 -16.062 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.891 -14.988 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.220 -13.768 0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.961 -14.928 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.338 -15.027 0.383 1.00 0.00 H new ATOM 284 N ILE A 19 16.101 -15.588 -2.138 1.00 0.00 N ATOM 285 CA ILE A 19 15.160 -15.825 -3.225 1.00 0.00 C ATOM 286 C ILE A 19 15.881 -16.298 -4.483 1.00 0.00 C ATOM 287 O ILE A 19 17.013 -15.897 -4.750 1.00 0.00 O ATOM 288 CB ILE A 19 14.352 -14.557 -3.557 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.293 -13.376 -3.806 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.380 -14.238 -2.431 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.573 -12.087 -4.132 1.00 0.00 C ATOM 0 H ILE A 19 16.874 -14.967 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 19 14.476 -16.603 -2.886 1.00 0.00 H new ATOM 0 HB ILE A 19 13.778 -14.738 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.912 -13.223 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.965 -13.625 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.816 -13.339 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.692 -15.072 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.935 -14.074 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.303 -11.294 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.975 -12.222 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.921 -11.814 -3.302 1.00 0.00 H new ATOM 303 N SER A 20 15.216 -17.154 -5.253 1.00 0.00 N ATOM 304 CA SER A 20 15.794 -17.685 -6.482 1.00 0.00 C ATOM 305 C SER A 20 16.161 -16.556 -7.441 1.00 0.00 C ATOM 306 O SER A 20 15.289 -15.853 -7.953 1.00 0.00 O ATOM 307 CB SER A 20 14.814 -18.645 -7.158 1.00 0.00 C ATOM 308 OG SER A 20 14.648 -19.826 -6.393 1.00 0.00 O ATOM 0 H SER A 20 14.277 -17.494 -5.047 1.00 0.00 H new ATOM 0 HA SER A 20 16.703 -18.228 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.850 -18.154 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.178 -18.901 -8.153 1.00 0.00 H new ATOM 0 HG SER A 20 14.016 -20.423 -6.845 1.00 0.00 H new ATOM 314 N LEU A 21 17.457 -16.389 -7.679 1.00 0.00 N ATOM 315 CA LEU A 21 17.942 -15.346 -8.577 1.00 0.00 C ATOM 316 C LEU A 21 17.547 -15.643 -10.020 1.00 0.00 C ATOM 317 O LEU A 21 16.743 -14.925 -10.614 1.00 0.00 O ATOM 318 CB LEU A 21 19.462 -15.218 -8.468 1.00 0.00 C ATOM 319 CG LEU A 21 20.079 -13.976 -9.113 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.547 -14.214 -9.432 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.313 -13.592 -10.370 1.00 0.00 C ATOM 0 H LEU A 21 18.191 -16.962 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 21 17.482 -14.403 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.733 -15.227 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.914 -16.101 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 21 20.012 -13.150 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 21 21.969 -13.320 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.087 -14.440 -8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.638 -15.053 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.766 -12.706 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.348 -14.415 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.275 -13.379 -10.113 1.00 0.00 H new ATOM 333 N SER A 22 18.117 -16.707 -10.577 1.00 0.00 N ATOM 334 CA SER A 22 17.826 -17.098 -11.951 1.00 0.00 C ATOM 335 C SER A 22 16.324 -17.074 -12.217 1.00 0.00 C ATOM 336 O SER A 22 15.888 -16.964 -13.362 1.00 0.00 O ATOM 337 CB SER A 22 18.383 -18.495 -12.234 1.00 0.00 C ATOM 338 OG SER A 22 17.723 -19.093 -13.336 1.00 0.00 O ATOM 0 H SER A 22 18.783 -17.313 -10.098 1.00 0.00 H new ATOM 0 HA SER A 22 18.306 -16.380 -12.616 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.452 -18.429 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.265 -19.123 -11.351 1.00 0.00 H new ATOM 0 HG SER A 22 16.884 -19.499 -13.034 1.00 0.00 H new ATOM 344 N GLU A 23 15.539 -17.177 -11.149 1.00 0.00 N ATOM 345 CA GLU A 23 14.086 -17.167 -11.266 1.00 0.00 C ATOM 346 C GLU A 23 13.544 -15.742 -11.202 1.00 0.00 C ATOM 347 O GLU A 23 12.544 -15.416 -11.843 1.00 0.00 O ATOM 348 CB GLU A 23 13.456 -18.014 -10.158 1.00 0.00 C ATOM 349 CG GLU A 23 13.536 -19.509 -10.415 1.00 0.00 C ATOM 350 CD GLU A 23 14.952 -19.982 -10.677 1.00 0.00 C ATOM 351 OE1 GLU A 23 15.426 -19.828 -11.822 1.00 0.00 O ATOM 352 OE2 GLU A 23 15.587 -20.506 -9.738 1.00 0.00 O ATOM 0 H GLU A 23 15.885 -17.268 -10.194 1.00 0.00 H new ATOM 0 HA GLU A 23 13.823 -17.594 -12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.952 -17.789 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.410 -17.729 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.132 -20.044 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.909 -19.761 -11.270 1.00 0.00 H new ATOM 359 N LEU A 24 14.211 -14.897 -10.424 1.00 0.00 N ATOM 360 CA LEU A 24 13.797 -13.506 -10.275 1.00 0.00 C ATOM 361 C LEU A 24 14.083 -12.713 -11.546 1.00 0.00 C ATOM 362 O LEU A 24 13.185 -12.100 -12.124 1.00 0.00 O ATOM 363 CB LEU A 24 14.517 -12.864 -9.087 1.00 0.00 C ATOM 364 CG LEU A 24 14.055 -11.457 -8.703 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.282 -11.208 -7.220 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.780 -10.412 -9.539 1.00 0.00 C ATOM 0 H LEU A 24 15.040 -15.150 -9.887 1.00 0.00 H new ATOM 0 HA LEU A 24 12.722 -13.490 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.396 -13.514 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.583 -12.826 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 24 12.987 -11.377 -8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.948 -10.202 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.718 -11.937 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.344 -11.306 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.439 -9.417 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.854 -10.491 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.567 -10.579 -10.595 1.00 0.00 H new ATOM 378 N THR A 25 15.340 -12.731 -11.979 1.00 0.00 N ATOM 379 CA THR A 25 15.744 -12.015 -13.182 1.00 0.00 C ATOM 380 C THR A 25 14.857 -12.384 -14.366 1.00 0.00 C ATOM 381 O THR A 25 14.698 -11.601 -15.302 1.00 0.00 O ATOM 382 CB THR A 25 17.212 -12.309 -13.544 1.00 0.00 C ATOM 383 OG1 THR A 25 17.575 -11.599 -14.734 1.00 0.00 O ATOM 384 CG2 THR A 25 17.431 -13.800 -13.750 1.00 0.00 C ATOM 0 H THR A 25 16.096 -13.234 -11.514 1.00 0.00 H new ATOM 0 HA THR A 25 15.636 -10.952 -12.968 1.00 0.00 H new ATOM 0 HB THR A 25 17.840 -11.977 -12.717 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.316 -10.658 -14.645 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.475 -13.983 -14.005 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.182 -14.334 -12.833 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.793 -14.153 -14.560 1.00 0.00 H new ATOM 392 N ASP A 26 14.281 -13.580 -14.317 1.00 0.00 N ATOM 393 CA ASP A 26 13.408 -14.052 -15.385 1.00 0.00 C ATOM 394 C ASP A 26 11.943 -13.815 -15.033 1.00 0.00 C ATOM 395 O ASP A 26 11.082 -13.778 -15.912 1.00 0.00 O ATOM 396 CB ASP A 26 13.648 -15.540 -15.648 1.00 0.00 C ATOM 397 CG ASP A 26 13.277 -15.945 -17.061 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.767 -15.299 -18.012 1.00 0.00 O ATOM 399 OD2 ASP A 26 12.497 -16.907 -17.217 1.00 0.00 O ATOM 0 H ASP A 26 14.403 -14.240 -13.549 1.00 0.00 H new ATOM 0 HA ASP A 26 13.642 -13.489 -16.288 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.698 -15.773 -15.470 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.066 -16.130 -14.939 1.00 0.00 H new ATOM 404 N ALA A 27 11.667 -13.657 -13.743 1.00 0.00 N ATOM 405 CA ALA A 27 10.306 -13.423 -13.276 1.00 0.00 C ATOM 406 C ALA A 27 10.021 -11.931 -13.141 1.00 0.00 C ATOM 407 O ALA A 27 9.084 -11.527 -12.451 1.00 0.00 O ATOM 408 CB ALA A 27 10.075 -14.128 -11.948 1.00 0.00 C ATOM 0 H ALA A 27 12.368 -13.687 -13.002 1.00 0.00 H new ATOM 0 HA ALA A 27 9.619 -13.832 -14.017 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.055 -13.945 -11.611 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.229 -15.200 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.776 -13.746 -11.206 1.00 0.00 H new ATOM 414 N LEU A 28 10.835 -11.116 -13.803 1.00 0.00 N ATOM 415 CA LEU A 28 10.670 -9.667 -13.757 1.00 0.00 C ATOM 416 C LEU A 28 9.947 -9.161 -15.001 1.00 0.00 C ATOM 417 O LEU A 28 8.908 -8.507 -14.904 1.00 0.00 O ATOM 418 CB LEU A 28 12.033 -8.983 -13.632 1.00 0.00 C ATOM 419 CG LEU A 28 12.552 -8.776 -12.208 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.068 -8.895 -12.170 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.107 -7.424 -11.670 1.00 0.00 C ATOM 0 H LEU A 28 11.616 -11.434 -14.378 1.00 0.00 H new ATOM 0 HA LEU A 28 10.065 -9.422 -12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.765 -9.574 -14.182 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.976 -8.011 -14.121 1.00 0.00 H new ATOM 0 HG LEU A 28 12.131 -9.554 -11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.419 -8.745 -11.149 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.364 -9.886 -12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.509 -8.139 -12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.485 -7.294 -10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.499 -6.632 -12.308 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.018 -7.377 -11.660 1.00 0.00 H new ATOM 433 N ARG A 29 10.502 -9.469 -16.168 1.00 0.00 N ATOM 434 CA ARG A 29 9.910 -9.047 -17.432 1.00 0.00 C ATOM 435 C ARG A 29 8.455 -9.496 -17.527 1.00 0.00 C ATOM 436 O ARG A 29 7.610 -8.791 -18.080 1.00 0.00 O ATOM 437 CB ARG A 29 10.707 -9.612 -18.608 1.00 0.00 C ATOM 438 CG ARG A 29 11.095 -11.071 -18.436 1.00 0.00 C ATOM 439 CD ARG A 29 11.363 -11.739 -19.776 1.00 0.00 C ATOM 440 NE ARG A 29 11.328 -13.195 -19.678 1.00 0.00 N ATOM 441 CZ ARG A 29 10.206 -13.898 -19.572 1.00 0.00 C ATOM 442 NH1 ARG A 29 9.033 -13.281 -19.551 1.00 0.00 N ATOM 443 NH2 ARG A 29 10.256 -15.222 -19.488 1.00 0.00 N ATOM 0 H ARG A 29 11.361 -10.010 -16.265 1.00 0.00 H new ATOM 0 HA ARG A 29 9.940 -7.958 -17.472 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.118 -9.506 -19.519 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.611 -9.018 -18.742 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.984 -11.141 -17.809 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.297 -11.602 -17.917 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.621 -11.407 -20.502 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.337 -11.424 -20.150 1.00 0.00 H new ATOM 0 HE ARG A 29 12.214 -13.700 -19.692 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.990 -12.264 -19.616 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.173 -13.823 -19.470 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.157 -15.700 -19.505 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.394 -15.761 -19.407 1.00 0.00 H new ATOM 457 N THR A 30 8.168 -10.676 -16.984 1.00 0.00 N ATOM 458 CA THR A 30 6.817 -11.220 -17.009 1.00 0.00 C ATOM 459 C THR A 30 5.828 -10.270 -16.343 1.00 0.00 C ATOM 460 O THR A 30 4.722 -10.059 -16.842 1.00 0.00 O ATOM 461 CB THR A 30 6.750 -12.589 -16.305 1.00 0.00 C ATOM 462 OG1 THR A 30 5.405 -13.080 -16.316 1.00 0.00 O ATOM 463 CG2 THR A 30 7.245 -12.484 -14.870 1.00 0.00 C ATOM 0 H THR A 30 8.854 -11.272 -16.522 1.00 0.00 H new ATOM 0 HA THR A 30 6.546 -11.344 -18.057 1.00 0.00 H new ATOM 0 HB THR A 30 7.394 -13.283 -16.845 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.371 -13.951 -15.868 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.188 -13.462 -14.393 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.278 -12.138 -14.866 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.623 -11.777 -14.321 1.00 0.00 H new ATOM 471 N LEU A 31 6.234 -9.698 -15.215 1.00 0.00 N ATOM 472 CA LEU A 31 5.383 -8.768 -14.480 1.00 0.00 C ATOM 473 C LEU A 31 5.202 -7.467 -15.255 1.00 0.00 C ATOM 474 O LEU A 31 4.234 -6.737 -15.045 1.00 0.00 O ATOM 475 CB LEU A 31 5.983 -8.475 -13.104 1.00 0.00 C ATOM 476 CG LEU A 31 6.580 -9.673 -12.363 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.279 -9.219 -11.091 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.498 -10.695 -12.044 1.00 0.00 C ATOM 0 H LEU A 31 7.146 -9.861 -14.789 1.00 0.00 H new ATOM 0 HA LEU A 31 4.405 -9.233 -14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.762 -7.722 -13.222 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.207 -8.036 -12.477 1.00 0.00 H new ATOM 0 HG LEU A 31 7.319 -10.146 -13.010 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.697 -10.084 -10.577 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.080 -8.525 -11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.561 -8.722 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.940 -11.540 -11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.736 -10.234 -11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.042 -11.043 -12.971 1.00 0.00 H new ATOM 490 N GLY A 32 6.139 -7.185 -16.155 1.00 0.00 N ATOM 491 CA GLY A 32 6.063 -5.973 -16.950 1.00 0.00 C ATOM 492 C GLY A 32 7.235 -5.044 -16.704 1.00 0.00 C ATOM 493 O GLY A 32 7.053 -3.841 -16.517 1.00 0.00 O ATOM 0 H GLY A 32 6.949 -7.774 -16.348 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.028 -6.237 -18.007 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.134 -5.450 -16.721 1.00 0.00 H new ATOM 497 N SER A 33 8.441 -5.602 -16.703 1.00 0.00 N ATOM 498 CA SER A 33 9.647 -4.816 -16.473 1.00 0.00 C ATOM 499 C SER A 33 10.463 -4.684 -17.755 1.00 0.00 C ATOM 500 O SER A 33 10.181 -5.344 -18.756 1.00 0.00 O ATOM 501 CB SER A 33 10.499 -5.460 -15.377 1.00 0.00 C ATOM 502 OG SER A 33 11.181 -6.602 -15.866 1.00 0.00 O ATOM 0 H SER A 33 8.609 -6.596 -16.859 1.00 0.00 H new ATOM 0 HA SER A 33 9.345 -3.819 -16.151 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.221 -4.735 -15.000 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.864 -5.743 -14.538 1.00 0.00 H new ATOM 0 HG SER A 33 12.148 -6.469 -15.775 1.00 0.00 H new ATOM 508 N THR A 34 11.478 -3.825 -17.718 1.00 0.00 N ATOM 509 CA THR A 34 12.334 -3.604 -18.876 1.00 0.00 C ATOM 510 C THR A 34 13.807 -3.720 -18.501 1.00 0.00 C ATOM 511 O THR A 34 14.688 -3.381 -19.291 1.00 0.00 O ATOM 512 CB THR A 34 12.084 -2.220 -19.504 1.00 0.00 C ATOM 513 OG1 THR A 34 10.874 -1.658 -18.985 1.00 0.00 O ATOM 514 CG2 THR A 34 11.992 -2.322 -21.019 1.00 0.00 C ATOM 0 H THR A 34 11.726 -3.271 -16.898 1.00 0.00 H new ATOM 0 HA THR A 34 12.085 -4.376 -19.604 1.00 0.00 H new ATOM 0 HB THR A 34 12.923 -1.573 -19.249 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.723 -0.777 -19.388 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.815 -1.332 -21.440 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.925 -2.723 -21.414 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.169 -2.984 -21.290 1.00 0.00 H new ATOM 522 N SER A 35 14.068 -4.202 -17.290 1.00 0.00 N ATOM 523 CA SER A 35 15.435 -4.360 -16.808 1.00 0.00 C ATOM 524 C SER A 35 15.685 -5.791 -16.341 1.00 0.00 C ATOM 525 O SER A 35 16.138 -6.019 -15.219 1.00 0.00 O ATOM 526 CB SER A 35 15.712 -3.382 -15.664 1.00 0.00 C ATOM 527 OG SER A 35 15.002 -3.752 -14.495 1.00 0.00 O ATOM 0 H SER A 35 13.350 -4.490 -16.625 1.00 0.00 H new ATOM 0 HA SER A 35 16.112 -4.143 -17.634 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.781 -3.358 -15.452 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.424 -2.375 -15.965 1.00 0.00 H new ATOM 0 HG SER A 35 15.322 -4.623 -14.180 1.00 0.00 H new ATOM 533 N ALA A 36 15.385 -6.751 -17.209 1.00 0.00 N ATOM 534 CA ALA A 36 15.578 -8.160 -16.887 1.00 0.00 C ATOM 535 C ALA A 36 16.838 -8.707 -17.550 1.00 0.00 C ATOM 536 O ALA A 36 17.732 -9.220 -16.877 1.00 0.00 O ATOM 537 CB ALA A 36 14.362 -8.970 -17.312 1.00 0.00 C ATOM 0 H ALA A 36 15.007 -6.579 -18.141 1.00 0.00 H new ATOM 0 HA ALA A 36 15.700 -8.247 -15.807 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.520 -10.020 -17.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.479 -8.603 -16.788 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.214 -8.868 -18.387 1.00 0.00 H new ATOM 543 N ASP A 37 16.901 -8.594 -18.872 1.00 0.00 N ATOM 544 CA ASP A 37 18.052 -9.077 -19.626 1.00 0.00 C ATOM 545 C ASP A 37 19.270 -8.189 -19.388 1.00 0.00 C ATOM 546 O ASP A 37 20.376 -8.507 -19.824 1.00 0.00 O ATOM 547 CB ASP A 37 17.726 -9.127 -21.120 1.00 0.00 C ATOM 548 CG ASP A 37 16.906 -10.346 -21.493 1.00 0.00 C ATOM 549 OD1 ASP A 37 17.290 -11.465 -21.093 1.00 0.00 O ATOM 550 OD2 ASP A 37 15.880 -10.180 -22.185 1.00 0.00 O ATOM 0 H ASP A 37 16.169 -8.172 -19.444 1.00 0.00 H new ATOM 0 HA ASP A 37 18.285 -10.084 -19.279 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.180 -8.226 -21.400 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.654 -9.128 -21.692 1.00 0.00 H new ATOM 555 N GLU A 38 19.057 -7.075 -18.694 1.00 0.00 N ATOM 556 CA GLU A 38 20.137 -6.141 -18.400 1.00 0.00 C ATOM 557 C GLU A 38 20.882 -6.552 -17.133 1.00 0.00 C ATOM 558 O GLU A 38 22.055 -6.225 -16.956 1.00 0.00 O ATOM 559 CB GLU A 38 19.586 -4.722 -18.244 1.00 0.00 C ATOM 560 CG GLU A 38 18.801 -4.512 -16.961 1.00 0.00 C ATOM 561 CD GLU A 38 19.688 -4.145 -15.787 1.00 0.00 C ATOM 562 OE1 GLU A 38 20.884 -3.864 -16.012 1.00 0.00 O ATOM 563 OE2 GLU A 38 19.186 -4.139 -14.644 1.00 0.00 O ATOM 0 H GLU A 38 18.147 -6.798 -18.325 1.00 0.00 H new ATOM 0 HA GLU A 38 20.837 -6.161 -19.235 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.415 -4.014 -18.273 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.943 -4.495 -19.095 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.064 -3.724 -17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.249 -5.422 -16.724 1.00 0.00 H new ATOM 570 N VAL A 39 20.190 -7.270 -16.254 1.00 0.00 N ATOM 571 CA VAL A 39 20.785 -7.726 -15.003 1.00 0.00 C ATOM 572 C VAL A 39 20.950 -9.241 -14.994 1.00 0.00 C ATOM 573 O VAL A 39 21.703 -9.788 -14.189 1.00 0.00 O ATOM 574 CB VAL A 39 19.933 -7.306 -13.791 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.489 -7.749 -13.973 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.516 -7.876 -12.507 1.00 0.00 C ATOM 0 H VAL A 39 19.217 -7.548 -16.385 1.00 0.00 H new ATOM 0 HA VAL A 39 21.766 -7.256 -14.928 1.00 0.00 H new ATOM 0 HB VAL A 39 19.948 -6.219 -13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.903 -7.443 -13.107 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.077 -7.288 -14.871 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.451 -8.834 -14.072 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.901 -7.569 -11.661 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.534 -8.964 -12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.531 -7.504 -12.372 1.00 0.00 H new ATOM 586 N GLN A 40 20.241 -9.914 -15.895 1.00 0.00 N ATOM 587 CA GLN A 40 20.310 -11.367 -15.990 1.00 0.00 C ATOM 588 C GLN A 40 21.758 -11.840 -16.065 1.00 0.00 C ATOM 589 O GLN A 40 22.071 -12.971 -15.692 1.00 0.00 O ATOM 590 CB GLN A 40 19.537 -11.856 -17.216 1.00 0.00 C ATOM 591 CG GLN A 40 18.806 -13.170 -16.991 1.00 0.00 C ATOM 592 CD GLN A 40 18.943 -14.122 -18.162 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.515 -13.820 -19.276 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.542 -15.281 -17.916 1.00 0.00 N ATOM 0 H GLN A 40 19.613 -9.476 -16.569 1.00 0.00 H new ATOM 0 HA GLN A 40 19.856 -11.786 -15.092 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.815 -11.093 -17.508 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.230 -11.974 -18.049 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.194 -13.648 -16.092 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.750 -12.968 -16.814 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.882 -15.490 -16.977 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.662 -15.962 -18.666 1.00 0.00 H new ATOM 603 N ARG A 41 22.636 -10.968 -16.549 1.00 0.00 N ATOM 604 CA ARG A 41 24.050 -11.297 -16.674 1.00 0.00 C ATOM 605 C ARG A 41 24.908 -10.325 -15.869 1.00 0.00 C ATOM 606 O ARG A 41 26.108 -10.537 -15.698 1.00 0.00 O ATOM 607 CB ARG A 41 24.474 -11.272 -18.144 1.00 0.00 C ATOM 608 CG ARG A 41 24.338 -9.904 -18.793 1.00 0.00 C ATOM 609 CD ARG A 41 25.163 -9.807 -20.067 1.00 0.00 C ATOM 610 NE ARG A 41 25.721 -8.471 -20.257 1.00 0.00 N ATOM 611 CZ ARG A 41 26.682 -8.194 -21.131 1.00 0.00 C ATOM 612 NH1 ARG A 41 27.189 -9.155 -21.891 1.00 0.00 N ATOM 613 NH2 ARG A 41 27.137 -6.953 -21.247 1.00 0.00 N ATOM 0 H ARG A 41 22.393 -10.028 -16.861 1.00 0.00 H new ATOM 0 HA ARG A 41 24.200 -12.301 -16.277 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.511 -11.600 -18.220 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.871 -11.990 -18.700 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.290 -9.711 -19.021 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.658 -9.134 -18.091 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.972 -10.536 -20.031 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.540 -10.065 -20.923 1.00 0.00 H new ATOM 0 HE ARG A 41 25.353 -7.709 -19.688 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.841 -10.110 -21.805 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.927 -8.939 -22.561 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.749 -6.211 -20.665 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.875 -6.741 -21.918 1.00 0.00 H new ATOM 627 N MET A 42 24.284 -9.260 -15.378 1.00 0.00 N ATOM 628 CA MET A 42 24.990 -8.256 -14.591 1.00 0.00 C ATOM 629 C MET A 42 24.626 -8.368 -13.114 1.00 0.00 C ATOM 630 O MET A 42 24.932 -7.479 -12.321 1.00 0.00 O ATOM 631 CB MET A 42 24.662 -6.852 -15.104 1.00 0.00 C ATOM 632 CG MET A 42 24.873 -6.687 -16.600 1.00 0.00 C ATOM 633 SD MET A 42 26.556 -7.082 -17.112 1.00 0.00 S ATOM 634 CE MET A 42 27.060 -5.528 -17.847 1.00 0.00 C ATOM 0 H MET A 42 23.291 -9.070 -15.511 1.00 0.00 H new ATOM 0 HA MET A 42 26.060 -8.433 -14.698 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.624 -6.620 -14.864 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.282 -6.127 -14.576 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.174 -7.331 -17.135 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.642 -5.660 -16.884 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.083 -5.613 -18.212 1.00 0.00 H new ATOM 0 HE2 MET A 42 26.397 -5.287 -18.678 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.007 -4.737 -17.099 1.00 0.00 H new ATOM 644 N MET A 43 23.971 -9.467 -12.753 1.00 0.00 N ATOM 645 CA MET A 43 23.567 -9.695 -11.370 1.00 0.00 C ATOM 646 C MET A 43 24.735 -10.222 -10.542 1.00 0.00 C ATOM 647 O MET A 43 24.790 -10.017 -9.330 1.00 0.00 O ATOM 648 CB MET A 43 22.400 -10.682 -11.314 1.00 0.00 C ATOM 649 CG MET A 43 21.771 -10.802 -9.935 1.00 0.00 C ATOM 650 SD MET A 43 20.805 -9.349 -9.484 1.00 0.00 S ATOM 651 CE MET A 43 19.645 -10.061 -8.320 1.00 0.00 C ATOM 0 H MET A 43 23.709 -10.213 -13.398 1.00 0.00 H new ATOM 0 HA MET A 43 23.248 -8.742 -10.949 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.637 -10.370 -12.027 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.750 -11.664 -11.631 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.129 -11.683 -9.908 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.556 -10.956 -9.194 1.00 0.00 H new ATOM 0 HE1 MET A 43 19.375 -9.315 -7.573 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.749 -10.385 -8.851 1.00 0.00 H new ATOM 0 HE3 MET A 43 20.104 -10.918 -7.827 1.00 0.00 H new ATOM 661 N ALA A 44 25.665 -10.901 -11.205 1.00 0.00 N ATOM 662 CA ALA A 44 26.832 -11.455 -10.530 1.00 0.00 C ATOM 663 C ALA A 44 27.973 -10.445 -10.487 1.00 0.00 C ATOM 664 O ALA A 44 29.094 -10.777 -10.103 1.00 0.00 O ATOM 665 CB ALA A 44 27.283 -12.735 -11.219 1.00 0.00 C ATOM 0 H ALA A 44 25.633 -11.081 -12.209 1.00 0.00 H new ATOM 0 HA ALA A 44 26.550 -11.688 -9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.155 -13.137 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.476 -13.467 -11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.541 -12.519 -12.256 1.00 0.00 H new ATOM 671 N GLU A 45 27.680 -9.211 -10.886 1.00 0.00 N ATOM 672 CA GLU A 45 28.684 -8.153 -10.894 1.00 0.00 C ATOM 673 C GLU A 45 28.191 -6.929 -10.128 1.00 0.00 C ATOM 674 O GLU A 45 28.738 -5.835 -10.267 1.00 0.00 O ATOM 675 CB GLU A 45 29.033 -7.762 -12.332 1.00 0.00 C ATOM 676 CG GLU A 45 27.922 -7.007 -13.043 1.00 0.00 C ATOM 677 CD GLU A 45 28.351 -6.482 -14.400 1.00 0.00 C ATOM 678 OE1 GLU A 45 29.090 -7.199 -15.106 1.00 0.00 O ATOM 679 OE2 GLU A 45 27.946 -5.356 -14.756 1.00 0.00 O ATOM 0 H GLU A 45 26.757 -8.920 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 45 29.579 -8.533 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.932 -7.146 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.269 -8.663 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.062 -7.665 -13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.598 -6.173 -12.420 1.00 0.00 H new ATOM 686 N ILE A 46 27.154 -7.123 -9.320 1.00 0.00 N ATOM 687 CA ILE A 46 26.587 -6.035 -8.532 1.00 0.00 C ATOM 688 C ILE A 46 26.583 -6.378 -7.046 1.00 0.00 C ATOM 689 O ILE A 46 26.738 -5.502 -6.195 1.00 0.00 O ATOM 690 CB ILE A 46 25.149 -5.708 -8.976 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.338 -6.995 -9.143 1.00 0.00 C ATOM 692 CG2 ILE A 46 25.163 -4.912 -10.272 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.994 -6.956 -8.450 1.00 0.00 C ATOM 0 H ILE A 46 26.690 -8.022 -9.194 1.00 0.00 H new ATOM 0 HA ILE A 46 27.217 -5.162 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 46 24.676 -5.101 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.185 -7.183 -10.206 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.916 -7.832 -8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 24.139 -4.689 -10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.708 -3.980 -10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.651 -5.496 -11.052 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.474 -7.901 -8.611 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.140 -6.799 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.398 -6.140 -8.858 1.00 0.00 H new ATOM 705 N ASP A 47 26.406 -7.659 -6.740 1.00 0.00 N ATOM 706 CA ASP A 47 26.384 -8.119 -5.357 1.00 0.00 C ATOM 707 C ASP A 47 26.473 -9.641 -5.289 1.00 0.00 C ATOM 708 O ASP A 47 27.383 -10.194 -4.670 1.00 0.00 O ATOM 709 CB ASP A 47 25.112 -7.639 -4.657 1.00 0.00 C ATOM 710 CG ASP A 47 25.407 -6.739 -3.473 1.00 0.00 C ATOM 711 OD1 ASP A 47 25.916 -7.249 -2.452 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.131 -5.525 -3.567 1.00 0.00 O ATOM 0 H ASP A 47 26.276 -8.397 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 47 27.251 -7.699 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.488 -7.102 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.539 -8.502 -4.319 1.00 0.00 H new ATOM 717 N THR A 48 25.521 -10.314 -5.928 1.00 0.00 N ATOM 718 CA THR A 48 25.491 -11.771 -5.939 1.00 0.00 C ATOM 719 C THR A 48 26.856 -12.347 -6.295 1.00 0.00 C ATOM 720 O THR A 48 27.307 -12.241 -7.435 1.00 0.00 O ATOM 721 CB THR A 48 24.446 -12.303 -6.937 1.00 0.00 C ATOM 722 OG1 THR A 48 23.398 -11.342 -7.110 1.00 0.00 O ATOM 723 CG2 THR A 48 23.857 -13.620 -6.453 1.00 0.00 C ATOM 0 H THR A 48 24.760 -9.873 -6.445 1.00 0.00 H new ATOM 0 HA THR A 48 25.217 -12.089 -4.933 1.00 0.00 H new ATOM 0 HB THR A 48 24.943 -12.473 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.546 -11.808 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.121 -13.976 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 48 24.652 -14.358 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.375 -13.470 -5.487 1.00 0.00 H new ATOM 731 N ASP A 49 27.510 -12.956 -5.312 1.00 0.00 N ATOM 732 CA ASP A 49 28.825 -13.551 -5.522 1.00 0.00 C ATOM 733 C ASP A 49 28.811 -14.489 -6.725 1.00 0.00 C ATOM 734 O ASP A 49 29.781 -14.564 -7.478 1.00 0.00 O ATOM 735 CB ASP A 49 29.270 -14.312 -4.272 1.00 0.00 C ATOM 736 CG ASP A 49 29.235 -13.449 -3.026 1.00 0.00 C ATOM 737 OD1 ASP A 49 29.260 -12.207 -3.163 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.181 -14.014 -1.914 1.00 0.00 O ATOM 0 H ASP A 49 27.151 -13.051 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 49 29.533 -12.746 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.624 -15.178 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.282 -14.689 -4.421 1.00 0.00 H new ATOM 743 N GLY A 50 27.704 -15.204 -6.899 1.00 0.00 N ATOM 744 CA GLY A 50 27.584 -16.128 -8.011 1.00 0.00 C ATOM 745 C GLY A 50 26.748 -17.345 -7.667 1.00 0.00 C ATOM 746 O GLY A 50 26.339 -18.096 -8.553 1.00 0.00 O ATOM 0 H GLY A 50 26.888 -15.160 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.137 -15.612 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.578 -16.450 -8.321 1.00 0.00 H new ATOM 750 N ASP A 51 26.495 -17.541 -6.378 1.00 0.00 N ATOM 751 CA ASP A 51 25.702 -18.676 -5.918 1.00 0.00 C ATOM 752 C ASP A 51 24.399 -18.782 -6.704 1.00 0.00 C ATOM 753 O ASP A 51 23.915 -19.879 -6.979 1.00 0.00 O ATOM 754 CB ASP A 51 25.402 -18.544 -4.425 1.00 0.00 C ATOM 755 CG ASP A 51 26.649 -18.276 -3.605 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.704 -18.868 -3.918 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.570 -17.476 -2.650 1.00 0.00 O ATOM 0 H ASP A 51 26.827 -16.929 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 51 26.281 -19.584 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.689 -17.734 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.927 -19.459 -4.071 1.00 0.00 H new ATOM 762 N GLY A 52 23.834 -17.633 -7.063 1.00 0.00 N ATOM 763 CA GLY A 52 22.592 -17.619 -7.813 1.00 0.00 C ATOM 764 C GLY A 52 21.392 -17.304 -6.941 1.00 0.00 C ATOM 765 O GLY A 52 20.270 -17.705 -7.248 1.00 0.00 O ATOM 0 H GLY A 52 24.215 -16.712 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.661 -16.880 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.447 -18.589 -8.289 1.00 0.00 H new ATOM 769 N PHE A 53 21.629 -16.584 -5.849 1.00 0.00 N ATOM 770 CA PHE A 53 20.559 -16.218 -4.928 1.00 0.00 C ATOM 771 C PHE A 53 20.862 -14.889 -4.243 1.00 0.00 C ATOM 772 O PHE A 53 21.953 -14.337 -4.391 1.00 0.00 O ATOM 773 CB PHE A 53 20.365 -17.313 -3.877 1.00 0.00 C ATOM 774 CG PHE A 53 19.865 -18.609 -4.448 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.751 -19.550 -4.947 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.508 -18.887 -4.485 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.295 -20.744 -5.472 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.045 -20.080 -5.009 1.00 0.00 C ATOM 779 CZ PHE A 53 18.940 -21.009 -5.504 1.00 0.00 C ATOM 0 H PHE A 53 22.552 -16.243 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 53 19.640 -16.109 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.313 -17.490 -3.369 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.661 -16.961 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.812 -19.348 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.804 -18.164 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.997 -21.469 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.985 -20.285 -5.031 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.581 -21.941 -5.915 1.00 0.00 H new ATOM 789 N ILE A 54 19.890 -14.380 -3.495 1.00 0.00 N ATOM 790 CA ILE A 54 20.052 -13.116 -2.787 1.00 0.00 C ATOM 791 C ILE A 54 19.164 -13.061 -1.549 1.00 0.00 C ATOM 792 O ILE A 54 17.965 -13.330 -1.620 1.00 0.00 O ATOM 793 CB ILE A 54 19.723 -11.916 -3.695 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.373 -12.126 -4.385 1.00 0.00 C ATOM 795 CG2 ILE A 54 20.824 -11.713 -4.725 1.00 0.00 C ATOM 796 CD1 ILE A 54 17.999 -11.008 -5.333 1.00 0.00 C ATOM 0 H ILE A 54 18.981 -14.824 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 54 21.097 -13.056 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 54 19.660 -11.019 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.398 -13.066 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.597 -12.223 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.577 -10.861 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.769 -11.524 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.917 -12.608 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.031 -11.223 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.941 -10.069 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.755 -10.925 -6.114 1.00 0.00 H new ATOM 808 N ASP A 55 19.760 -12.709 -0.415 1.00 0.00 N ATOM 809 CA ASP A 55 19.023 -12.616 0.839 1.00 0.00 C ATOM 810 C ASP A 55 18.131 -11.378 0.855 1.00 0.00 C ATOM 811 O ASP A 55 16.907 -11.483 0.929 1.00 0.00 O ATOM 812 CB ASP A 55 19.991 -12.577 2.023 1.00 0.00 C ATOM 813 CG ASP A 55 19.304 -12.198 3.320 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.126 -12.571 3.499 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.946 -11.530 4.158 1.00 0.00 O ATOM 0 H ASP A 55 20.752 -12.483 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 55 18.390 -13.499 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.461 -13.554 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.787 -11.862 1.814 1.00 0.00 H new ATOM 820 N PHE A 56 18.753 -10.206 0.785 1.00 0.00 N ATOM 821 CA PHE A 56 18.016 -8.948 0.793 1.00 0.00 C ATOM 822 C PHE A 56 18.908 -7.792 0.349 1.00 0.00 C ATOM 823 O PHE A 56 18.563 -7.042 -0.563 1.00 0.00 O ATOM 824 CB PHE A 56 17.457 -8.668 2.190 1.00 0.00 C ATOM 825 CG PHE A 56 16.198 -7.850 2.179 1.00 0.00 C ATOM 826 CD1 PHE A 56 16.196 -6.565 1.661 1.00 0.00 C ATOM 827 CD2 PHE A 56 15.016 -8.366 2.685 1.00 0.00 C ATOM 828 CE1 PHE A 56 15.038 -5.809 1.650 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.855 -7.616 2.677 1.00 0.00 C ATOM 830 CZ PHE A 56 13.866 -6.336 2.158 1.00 0.00 C ATOM 0 H PHE A 56 19.766 -10.101 0.722 1.00 0.00 H new ATOM 0 HA PHE A 56 17.188 -9.037 0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.260 -9.616 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.213 -8.148 2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.109 -6.149 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.002 -9.367 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.050 -4.808 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.941 -8.030 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.960 -5.748 2.149 1.00 0.00 H new ATOM 840 N ASN A 57 20.058 -7.655 1.002 1.00 0.00 N ATOM 841 CA ASN A 57 21.000 -6.591 0.676 1.00 0.00 C ATOM 842 C ASN A 57 21.313 -6.579 -0.817 1.00 0.00 C ATOM 843 O ASN A 57 21.339 -5.522 -1.447 1.00 0.00 O ATOM 844 CB ASN A 57 22.292 -6.762 1.478 1.00 0.00 C ATOM 845 CG ASN A 57 22.226 -6.082 2.832 1.00 0.00 C ATOM 846 OD1 ASN A 57 22.531 -6.689 3.859 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.826 -4.816 2.840 1.00 0.00 N ATOM 0 H ASN A 57 20.359 -8.268 1.760 1.00 0.00 H new ATOM 0 HA ASN A 57 20.539 -5.639 0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.492 -7.824 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.127 -6.352 0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.762 -4.307 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.583 -4.352 1.965 1.00 0.00 H new ATOM 854 N GLU A 58 21.548 -7.762 -1.376 1.00 0.00 N ATOM 855 CA GLU A 58 21.859 -7.887 -2.795 1.00 0.00 C ATOM 856 C GLU A 58 20.622 -7.624 -3.649 1.00 0.00 C ATOM 857 O GLU A 58 20.727 -7.202 -4.800 1.00 0.00 O ATOM 858 CB GLU A 58 22.414 -9.281 -3.097 1.00 0.00 C ATOM 859 CG GLU A 58 23.586 -9.674 -2.214 1.00 0.00 C ATOM 860 CD GLU A 58 24.327 -10.890 -2.735 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.674 -11.928 -2.970 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.561 -10.803 -2.909 1.00 0.00 O ATOM 0 H GLU A 58 21.529 -8.647 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 58 22.615 -7.141 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.617 -10.014 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.727 -9.320 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.278 -8.835 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.224 -9.878 -1.206 1.00 0.00 H new ATOM 869 N PHE A 59 19.450 -7.877 -3.075 1.00 0.00 N ATOM 870 CA PHE A 59 18.192 -7.670 -3.783 1.00 0.00 C ATOM 871 C PHE A 59 17.828 -6.189 -3.821 1.00 0.00 C ATOM 872 O PHE A 59 17.084 -5.744 -4.696 1.00 0.00 O ATOM 873 CB PHE A 59 17.069 -8.466 -3.114 1.00 0.00 C ATOM 874 CG PHE A 59 15.694 -8.008 -3.507 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.089 -8.494 -4.654 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.006 -7.091 -2.728 1.00 0.00 C ATOM 877 CE1 PHE A 59 13.823 -8.073 -5.018 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.740 -6.667 -3.087 1.00 0.00 C ATOM 879 CZ PHE A 59 13.148 -7.160 -4.233 1.00 0.00 C ATOM 0 H PHE A 59 19.345 -8.225 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 59 18.317 -8.022 -4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.179 -9.520 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.174 -8.388 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.612 -9.210 -5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.464 -6.703 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.363 -8.458 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.215 -5.951 -2.472 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.158 -6.832 -4.515 1.00 0.00 H new ATOM 889 N ILE A 60 18.357 -5.430 -2.867 1.00 0.00 N ATOM 890 CA ILE A 60 18.088 -4.000 -2.792 1.00 0.00 C ATOM 891 C ILE A 60 19.170 -3.199 -3.509 1.00 0.00 C ATOM 892 O ILE A 60 18.898 -2.145 -4.083 1.00 0.00 O ATOM 893 CB ILE A 60 17.993 -3.521 -1.331 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.820 -4.201 -0.623 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.846 -2.007 -1.279 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.470 -3.828 -1.196 1.00 0.00 C ATOM 0 H ILE A 60 18.974 -5.782 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 60 17.130 -3.833 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 60 18.912 -3.795 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.946 -5.282 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.842 -3.938 0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.780 -1.683 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.711 -1.541 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.941 -1.711 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.685 -4.347 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.323 -2.751 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.428 -4.117 -2.246 1.00 0.00 H new ATOM 908 N SER A 61 20.397 -3.708 -3.473 1.00 0.00 N ATOM 909 CA SER A 61 21.521 -3.039 -4.117 1.00 0.00 C ATOM 910 C SER A 61 21.185 -2.682 -5.562 1.00 0.00 C ATOM 911 O SER A 61 21.212 -1.513 -5.947 1.00 0.00 O ATOM 912 CB SER A 61 22.764 -3.930 -4.076 1.00 0.00 C ATOM 913 OG SER A 61 23.946 -3.154 -3.994 1.00 0.00 O ATOM 0 H SER A 61 20.638 -4.581 -3.005 1.00 0.00 H new ATOM 0 HA SER A 61 21.725 -2.118 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.706 -4.601 -3.219 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.797 -4.555 -4.969 1.00 0.00 H new ATOM 0 HG SER A 61 24.711 -3.741 -3.820 1.00 0.00 H new ATOM 919 N PHE A 62 20.868 -3.698 -6.358 1.00 0.00 N ATOM 920 CA PHE A 62 20.527 -3.494 -7.761 1.00 0.00 C ATOM 921 C PHE A 62 19.149 -2.854 -7.898 1.00 0.00 C ATOM 922 O PHE A 62 18.817 -2.286 -8.939 1.00 0.00 O ATOM 923 CB PHE A 62 20.562 -4.824 -8.515 1.00 0.00 C ATOM 924 CG PHE A 62 19.235 -5.218 -9.098 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.242 -5.753 -8.293 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.980 -5.054 -10.450 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.019 -6.116 -8.825 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.759 -5.415 -10.987 1.00 0.00 C ATOM 929 CZ PHE A 62 16.778 -5.948 -10.175 1.00 0.00 C ATOM 0 H PHE A 62 20.840 -4.672 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 62 21.266 -2.820 -8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.297 -4.758 -9.317 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.899 -5.608 -7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.426 -5.888 -7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.744 -4.639 -11.091 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.253 -6.530 -8.186 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.572 -5.280 -12.042 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.824 -6.233 -10.594 1.00 0.00 H new ATOM 939 N CYS A 63 18.350 -2.952 -6.840 1.00 0.00 N ATOM 940 CA CYS A 63 17.007 -2.385 -6.842 1.00 0.00 C ATOM 941 C CYS A 63 17.001 -0.998 -6.208 1.00 0.00 C ATOM 942 O CYS A 63 16.727 -0.849 -5.018 1.00 0.00 O ATOM 943 CB CYS A 63 16.041 -3.305 -6.093 1.00 0.00 C ATOM 944 SG CYS A 63 14.393 -2.603 -5.848 1.00 0.00 S ATOM 0 H CYS A 63 18.610 -3.419 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 63 16.680 -2.293 -7.878 1.00 0.00 H new ATOM 0 HB2 CYS A 63 15.947 -4.241 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.469 -3.549 -5.120 1.00 0.00 H new ATOM 0 HG CYS A 63 13.514 -3.560 -5.819 1.00 0.00 H new ATOM 950 N ASN A 64 17.308 0.016 -7.011 1.00 0.00 N ATOM 951 CA ASN A 64 17.340 1.391 -6.528 1.00 0.00 C ATOM 952 C ASN A 64 16.059 2.130 -6.902 1.00 0.00 C ATOM 953 O ASN A 64 15.777 3.208 -6.379 1.00 0.00 O ATOM 954 CB ASN A 64 18.552 2.127 -7.103 1.00 0.00 C ATOM 955 CG ASN A 64 19.855 1.403 -6.824 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.687 1.233 -7.715 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.037 0.971 -5.581 1.00 0.00 N ATOM 0 H ASN A 64 17.538 -0.089 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 64 17.419 1.366 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.427 2.242 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.599 3.130 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 64 20.894 0.476 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.320 1.134 -4.874 1.00 0.00 H new ATOM 964 N ALA A 65 15.286 1.541 -7.808 1.00 0.00 N ATOM 965 CA ALA A 65 14.033 2.141 -8.250 1.00 0.00 C ATOM 966 C ALA A 65 14.196 3.638 -8.489 1.00 0.00 C ATOM 967 O ALA A 65 13.298 4.425 -8.193 1.00 0.00 O ATOM 968 CB ALA A 65 12.936 1.884 -7.228 1.00 0.00 C ATOM 0 H ALA A 65 15.505 0.649 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 65 13.750 1.678 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.006 2.338 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.794 0.810 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.221 2.320 -6.271 1.00 0.00 H new ATOM 974 N ASN A 66 15.348 4.025 -9.027 1.00 0.00 N ATOM 975 CA ASN A 66 15.629 5.429 -9.304 1.00 0.00 C ATOM 976 C ASN A 66 14.951 5.874 -10.597 1.00 0.00 C ATOM 977 O ASN A 66 14.048 6.712 -10.597 1.00 0.00 O ATOM 978 CB ASN A 66 17.138 5.660 -9.402 1.00 0.00 C ATOM 979 CG ASN A 66 17.689 6.399 -8.198 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.315 7.450 -8.334 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.459 5.850 -7.011 1.00 0.00 N ATOM 0 H ASN A 66 16.102 3.386 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 66 15.230 6.022 -8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.644 4.700 -9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.358 6.228 -10.306 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.806 6.301 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.935 4.977 -6.946 1.00 0.00 H new ATOM 988 N PRO A 67 15.394 5.301 -11.725 1.00 0.00 N ATOM 989 CA PRO A 67 14.843 5.622 -13.045 1.00 0.00 C ATOM 990 C PRO A 67 13.422 5.100 -13.223 1.00 0.00 C ATOM 991 O PRO A 67 12.747 5.429 -14.198 1.00 0.00 O ATOM 992 CB PRO A 67 15.798 4.914 -14.010 1.00 0.00 C ATOM 993 CG PRO A 67 16.378 3.795 -13.215 1.00 0.00 C ATOM 994 CD PRO A 67 16.467 4.295 -11.800 1.00 0.00 C ATOM 0 HA PRO A 67 14.772 6.698 -13.206 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.270 4.543 -14.889 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.575 5.591 -14.366 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.750 2.906 -13.276 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.362 3.517 -13.593 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.315 3.491 -11.080 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.443 4.732 -11.589 1.00 0.00 H new ATOM 1002 N GLY A 68 12.972 4.285 -12.273 1.00 0.00 N ATOM 1003 CA GLY A 68 11.633 3.731 -12.344 1.00 0.00 C ATOM 1004 C GLY A 68 11.620 2.313 -12.878 1.00 0.00 C ATOM 1005 O GLY A 68 10.684 1.911 -13.572 1.00 0.00 O ATOM 0 H GLY A 68 13.511 3.999 -11.456 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.184 3.746 -11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.015 4.362 -12.983 1.00 0.00 H new ATOM 1009 N LEU A 69 12.660 1.551 -12.557 1.00 0.00 N ATOM 1010 CA LEU A 69 12.765 0.169 -13.010 1.00 0.00 C ATOM 1011 C LEU A 69 12.152 -0.787 -11.992 1.00 0.00 C ATOM 1012 O LEU A 69 11.682 -1.868 -12.345 1.00 0.00 O ATOM 1013 CB LEU A 69 14.230 -0.198 -13.253 1.00 0.00 C ATOM 1014 CG LEU A 69 15.104 -0.334 -12.006 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.793 -1.689 -11.982 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.129 0.789 -11.948 1.00 0.00 C ATOM 0 H LEU A 69 13.443 1.867 -11.984 1.00 0.00 H new ATOM 0 HA LEU A 69 12.213 0.076 -13.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.262 -1.141 -13.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.671 0.560 -13.900 1.00 0.00 H new ATOM 0 HG LEU A 69 14.463 -0.260 -11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.411 -1.767 -11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.042 -2.479 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.421 -1.794 -12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.742 0.676 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.765 0.747 -12.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.615 1.750 -11.916 1.00 0.00 H new ATOM 1028 N MET A 70 12.158 -0.379 -10.727 1.00 0.00 N ATOM 1029 CA MET A 70 11.599 -1.198 -9.658 1.00 0.00 C ATOM 1030 C MET A 70 10.390 -0.516 -9.026 1.00 0.00 C ATOM 1031 O MET A 70 9.552 -1.168 -8.403 1.00 0.00 O ATOM 1032 CB MET A 70 12.660 -1.474 -8.590 1.00 0.00 C ATOM 1033 CG MET A 70 13.890 -2.187 -9.125 1.00 0.00 C ATOM 1034 SD MET A 70 13.712 -3.981 -9.116 1.00 0.00 S ATOM 1035 CE MET A 70 14.033 -4.362 -10.837 1.00 0.00 C ATOM 0 H MET A 70 12.544 0.513 -10.418 1.00 0.00 H new ATOM 0 HA MET A 70 11.275 -2.144 -10.091 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.965 -0.529 -8.140 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.217 -2.077 -7.797 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.086 -1.850 -10.143 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.756 -1.909 -8.525 1.00 0.00 H new ATOM 0 HE1 MET A 70 13.942 -5.437 -10.995 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.311 -3.840 -11.466 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.041 -4.041 -11.099 1.00 0.00 H new ATOM 1045 N LYS A 71 10.305 0.800 -9.191 1.00 0.00 N ATOM 1046 CA LYS A 71 9.198 1.571 -8.638 1.00 0.00 C ATOM 1047 C LYS A 71 7.935 1.384 -9.473 1.00 0.00 C ATOM 1048 O LYS A 71 6.820 1.511 -8.965 1.00 0.00 O ATOM 1049 CB LYS A 71 9.565 3.055 -8.575 1.00 0.00 C ATOM 1050 CG LYS A 71 8.408 3.951 -8.168 1.00 0.00 C ATOM 1051 CD LYS A 71 7.701 4.534 -9.380 1.00 0.00 C ATOM 1052 CE LYS A 71 7.128 5.911 -9.083 1.00 0.00 C ATOM 1053 NZ LYS A 71 5.996 5.843 -8.117 1.00 0.00 N ATOM 0 H LYS A 71 10.990 1.355 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 71 9.003 1.208 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.383 3.189 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.933 3.371 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.697 3.380 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.777 4.760 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.401 4.602 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.899 3.865 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.912 6.552 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.787 6.371 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.633 6.801 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.237 5.252 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.327 5.428 -7.223 1.00 0.00 H new ATOM 1067 N ASP A 72 8.117 1.082 -10.753 1.00 0.00 N ATOM 1068 CA ASP A 72 6.991 0.875 -11.657 1.00 0.00 C ATOM 1069 C ASP A 72 6.878 -0.593 -12.057 1.00 0.00 C ATOM 1070 O ASP A 72 6.485 -0.913 -13.179 1.00 0.00 O ATOM 1071 CB ASP A 72 7.145 1.746 -12.905 1.00 0.00 C ATOM 1072 CG ASP A 72 5.845 1.895 -13.671 1.00 0.00 C ATOM 1073 OD1 ASP A 72 4.781 1.582 -13.099 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.893 2.323 -14.844 1.00 0.00 O ATOM 0 H ASP A 72 9.033 0.975 -11.189 1.00 0.00 H new ATOM 0 HA ASP A 72 6.079 1.162 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.507 2.732 -12.614 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.900 1.309 -13.558 1.00 0.00 H new ATOM 1079 N VAL A 73 7.227 -1.481 -11.132 1.00 0.00 N ATOM 1080 CA VAL A 73 7.165 -2.915 -11.388 1.00 0.00 C ATOM 1081 C VAL A 73 6.371 -3.633 -10.302 1.00 0.00 C ATOM 1082 O VAL A 73 5.752 -4.667 -10.553 1.00 0.00 O ATOM 1083 CB VAL A 73 8.574 -3.532 -11.472 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.966 -4.151 -10.139 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.638 -4.565 -12.587 1.00 0.00 C ATOM 0 H VAL A 73 7.556 -1.233 -10.199 1.00 0.00 H new ATOM 0 HA VAL A 73 6.663 -3.044 -12.347 1.00 0.00 H new ATOM 0 HB VAL A 73 9.286 -2.739 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.964 -4.582 -10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.962 -3.383 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.253 -4.933 -9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.641 -4.990 -12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.916 -5.358 -12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.403 -4.088 -13.539 1.00 0.00 H new ATOM 1095 N ALA A 74 6.394 -3.078 -9.095 1.00 0.00 N ATOM 1096 CA ALA A 74 5.675 -3.663 -7.971 1.00 0.00 C ATOM 1097 C ALA A 74 4.214 -3.226 -7.966 1.00 0.00 C ATOM 1098 O ALA A 74 3.427 -3.662 -7.126 1.00 0.00 O ATOM 1099 CB ALA A 74 6.346 -3.283 -6.659 1.00 0.00 C ATOM 0 H ALA A 74 6.903 -2.223 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 74 5.702 -4.747 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.798 -3.727 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.372 -3.651 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.349 -2.198 -6.553 1.00 0.00 H new ATOM 1105 N LYS A 75 3.857 -2.361 -8.910 1.00 0.00 N ATOM 1106 CA LYS A 75 2.490 -1.864 -9.016 1.00 0.00 C ATOM 1107 C LYS A 75 1.826 -2.366 -10.294 1.00 0.00 C ATOM 1108 O LYS A 75 0.600 -2.410 -10.392 1.00 0.00 O ATOM 1109 CB LYS A 75 2.479 -0.334 -8.990 1.00 0.00 C ATOM 1110 CG LYS A 75 3.439 0.264 -7.976 1.00 0.00 C ATOM 1111 CD LYS A 75 3.071 -0.133 -6.557 1.00 0.00 C ATOM 1112 CE LYS A 75 2.780 1.085 -5.694 1.00 0.00 C ATOM 1113 NZ LYS A 75 4.015 1.864 -5.400 1.00 0.00 N ATOM 0 H LYS A 75 4.496 -1.990 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 75 1.926 -2.240 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.732 0.040 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.469 0.010 -8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.454 -0.067 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.432 1.350 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.197 -0.784 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.886 -0.706 -6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.059 1.726 -6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.320 0.766 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.933 2.304 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.838 1.228 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.138 2.605 -6.120 1.00 0.00 H new ATOM 1127 N VAL A 76 2.644 -2.746 -11.270 1.00 0.00 N ATOM 1128 CA VAL A 76 2.136 -3.247 -12.541 1.00 0.00 C ATOM 1129 C VAL A 76 1.230 -4.456 -12.332 1.00 0.00 C ATOM 1130 O VAL A 76 0.008 -4.357 -12.450 1.00 0.00 O ATOM 1131 CB VAL A 76 3.284 -3.639 -13.490 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.737 -4.289 -14.752 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.130 -2.422 -13.832 1.00 0.00 C ATOM 0 H VAL A 76 3.661 -2.716 -11.205 1.00 0.00 H new ATOM 0 HA VAL A 76 1.561 -2.438 -12.993 1.00 0.00 H new ATOM 0 HB VAL A 76 3.919 -4.365 -12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.563 -4.559 -15.410 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.177 -5.186 -14.486 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.078 -3.589 -15.266 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.937 -2.717 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.508 -1.672 -14.320 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.553 -2.004 -12.918 1.00 0.00 H new ATOM 1143 N PHE A 77 1.836 -5.596 -12.021 1.00 0.00 N ATOM 1144 CA PHE A 77 1.085 -6.825 -11.795 1.00 0.00 C ATOM 1145 C PHE A 77 1.238 -7.300 -10.353 1.00 0.00 C ATOM 1146 O PHE A 77 1.627 -8.441 -10.103 1.00 0.00 O ATOM 1147 CB PHE A 77 1.554 -7.919 -12.757 1.00 0.00 C ATOM 1148 CG PHE A 77 0.473 -8.894 -13.129 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.536 -8.528 -14.004 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.468 -10.176 -12.603 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.532 -9.424 -14.347 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.525 -11.076 -12.943 1.00 0.00 C ATOM 1153 CZ PHE A 77 -1.526 -10.699 -13.817 1.00 0.00 C ATOM 0 H PHE A 77 2.846 -5.695 -11.920 1.00 0.00 H new ATOM 0 HA PHE A 77 0.031 -6.616 -11.980 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.940 -7.453 -13.664 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.381 -8.463 -12.301 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.545 -7.533 -14.423 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.249 -10.476 -11.920 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.314 -9.126 -15.029 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.518 -12.072 -12.526 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.302 -11.400 -14.085 1.00 0.00 H new