USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 983 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 85 MET CE :methyl -155:sc= -1.62 (180deg=-1.73) USER MOD Set 1.2: A 112 MET CE :methyl 149:sc= -1.91 (180deg=-4!) USER MOD Set 2.1: A 54 ASN : amide:sc= -5.22! C(o=-8.8!,f=-13!) USER MOD Set 2.2: A 58 ASN : amide:sc= -3.61! C(o=-8.8!,f=-11!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.764 K(o=0.76,f=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 38:sc= 1.34 USER MOD Single : A 21 TYR OH : rot 0:sc= 0.676 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.952 USER MOD Single : A 29 ASN : amide:sc= 0.108 K(o=0.11,f=-4.2!) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.0644 USER MOD Single : A 43 GLN : amide:sc= -1.86! C(o=-1.9!,f=-3.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1.4!) USER MOD Single : A 57 SER OG : rot 131:sc= 1.74 USER MOD Single : A 64 THR OG1 : rot 128:sc= -0.341 USER MOD Single : A 71 GLN : amide:sc= -0.983! K(o=-0.98!,f=-0.39) USER MOD Single : A 74 THR OG1 : rot 57:sc= 1.32 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -2.52 K(o=-2.5,f=-0.93) USER MOD Single : A 95 SER OG : rot -90:sc= -0.0671 USER MOD Single : A 100 SER OG : rot -2:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ -131:sc= -1.19 (180deg=-3.62!) USER MOD Single : A 109 HIS : no HE2:sc= -0.648 K(o=-0.65,f=-3.2!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -13.789 -6.600 2.418 1.00 0.05 N ATOM 51 CA ILE A 4 -13.025 -5.797 3.378 1.00 63.23 C ATOM 52 C ILE A 4 -13.761 -4.582 3.942 1.00 10.40 C ATOM 53 O ILE A 4 -14.485 -4.673 4.937 1.00 21.15 O ATOM 54 CB ILE A 4 -11.709 -5.337 2.712 1.00 25.33 C ATOM 55 CG1 ILE A 4 -11.948 -5.027 1.221 1.00 4.45 C ATOM 56 CG2 ILE A 4 -10.641 -6.409 2.873 1.00 74.40 C ATOM 57 CD1 ILE A 4 -10.772 -4.380 0.529 1.00 53.52 C ATOM 0 HA ILE A 4 -12.845 -6.448 4.234 1.00 63.23 H new ATOM 0 HB ILE A 4 -11.362 -4.427 3.201 1.00 25.33 H new ATOM 0 HG12 ILE A 4 -12.195 -5.954 0.703 1.00 4.45 H new ATOM 0 HG13 ILE A 4 -12.814 -4.371 1.132 1.00 4.45 H new ATOM 0 HG21 ILE A 4 -9.717 -6.076 2.400 1.00 74.40 H new ATOM 0 HG22 ILE A 4 -10.462 -6.588 3.933 1.00 74.40 H new ATOM 0 HG23 ILE A 4 -10.978 -7.332 2.401 1.00 74.40 H new ATOM 0 HD11 ILE A 4 -11.021 -4.195 -0.516 1.00 53.52 H new ATOM 0 HD12 ILE A 4 -10.536 -3.435 1.019 1.00 53.52 H new ATOM 0 HD13 ILE A 4 -9.908 -5.042 0.584 1.00 53.52 H new ATOM 69 N ASP A 5 -13.521 -3.449 3.330 1.00 41.13 N ATOM 70 CA ASP A 5 -14.123 -2.192 3.748 1.00 32.14 C ATOM 71 C ASP A 5 -14.529 -1.374 2.532 1.00 43.43 C ATOM 72 O ASP A 5 -13.920 -1.487 1.465 1.00 51.25 O ATOM 73 CB ASP A 5 -13.150 -1.400 4.632 1.00 63.45 C ATOM 74 CG ASP A 5 -13.766 -0.132 5.194 1.00 31.54 C ATOM 75 OD1 ASP A 5 -14.942 -0.167 5.605 1.00 34.34 O ATOM 76 OD2 ASP A 5 -13.076 0.903 5.240 1.00 13.53 O ATOM 0 H ASP A 5 -12.901 -3.365 2.524 1.00 41.13 H new ATOM 0 HA ASP A 5 -15.017 -2.410 4.333 1.00 32.14 H new ATOM 0 HB2 ASP A 5 -12.817 -2.032 5.455 1.00 63.45 H new ATOM 0 HB3 ASP A 5 -12.265 -1.142 4.050 1.00 63.45 H new ATOM 81 N ASP A 6 -15.556 -0.557 2.703 1.00 64.04 N ATOM 82 CA ASP A 6 -16.125 0.214 1.605 1.00 43.21 C ATOM 83 C ASP A 6 -15.314 1.489 1.379 1.00 73.33 C ATOM 84 O ASP A 6 -14.707 2.016 2.314 1.00 40.30 O ATOM 85 CB ASP A 6 -17.579 0.555 1.924 1.00 1.40 C ATOM 86 CG ASP A 6 -18.408 0.871 0.695 1.00 5.11 C ATOM 87 OD1 ASP A 6 -18.308 1.999 0.169 1.00 3.35 O ATOM 88 OD2 ASP A 6 -19.193 0.003 0.264 1.00 63.12 O ATOM 0 H ASP A 6 -16.018 -0.409 3.600 1.00 64.04 H new ATOM 0 HA ASP A 6 -16.090 -0.379 0.691 1.00 43.21 H new ATOM 0 HB2 ASP A 6 -18.033 -0.283 2.453 1.00 1.40 H new ATOM 0 HB3 ASP A 6 -17.604 1.410 2.599 1.00 1.40 H new ATOM 93 N TYR A 7 -15.318 1.978 0.139 1.00 23.20 N ATOM 94 CA TYR A 7 -14.502 3.129 -0.268 1.00 74.54 C ATOM 95 C TYR A 7 -13.008 2.879 -0.036 1.00 61.21 C ATOM 96 O TYR A 7 -12.340 3.699 0.590 1.00 41.51 O ATOM 97 CB TYR A 7 -14.915 4.406 0.481 1.00 35.10 C ATOM 98 CG TYR A 7 -16.268 4.956 0.096 1.00 60.42 C ATOM 99 CD1 TYR A 7 -16.494 5.471 -1.172 1.00 55.34 C ATOM 100 CD2 TYR A 7 -17.309 4.977 1.008 1.00 41.43 C ATOM 101 CE1 TYR A 7 -17.726 5.988 -1.523 1.00 2.11 C ATOM 102 CE2 TYR A 7 -18.542 5.495 0.669 1.00 2.21 C ATOM 103 CZ TYR A 7 -18.748 6.000 -0.596 1.00 65.35 C ATOM 104 OH TYR A 7 -19.975 6.524 -0.930 1.00 40.13 O ATOM 0 H TYR A 7 -15.886 1.590 -0.614 1.00 23.20 H new ATOM 0 HA TYR A 7 -14.677 3.264 -1.335 1.00 74.54 H new ATOM 0 HB2 TYR A 7 -14.913 4.199 1.551 1.00 35.10 H new ATOM 0 HB3 TYR A 7 -14.162 5.174 0.304 1.00 35.10 H new ATOM 0 HD1 TYR A 7 -15.693 5.468 -1.897 1.00 55.34 H new ATOM 0 HD2 TYR A 7 -17.154 4.582 2.001 1.00 41.43 H new ATOM 0 HE1 TYR A 7 -17.888 6.380 -2.516 1.00 2.11 H new ATOM 0 HE2 TYR A 7 -19.343 5.505 1.393 1.00 2.21 H new ATOM 0 HH TYR A 7 -20.581 6.453 -0.163 1.00 40.13 H new ATOM 114 N PRO A 8 -12.442 1.770 -0.554 1.00 71.23 N ATOM 115 CA PRO A 8 -11.030 1.444 -0.324 1.00 24.14 C ATOM 116 C PRO A 8 -10.097 2.218 -1.253 1.00 10.21 C ATOM 117 O PRO A 8 -8.886 2.278 -1.035 1.00 51.14 O ATOM 118 CB PRO A 8 -10.967 -0.056 -0.623 1.00 2.31 C ATOM 119 CG PRO A 8 -12.004 -0.276 -1.669 1.00 41.35 C ATOM 120 CD PRO A 8 -13.108 0.754 -1.400 1.00 30.23 C ATOM 0 HA PRO A 8 -10.705 1.707 0.683 1.00 24.14 H new ATOM 0 HB2 PRO A 8 -9.979 -0.348 -0.978 1.00 2.31 H new ATOM 0 HB3 PRO A 8 -11.173 -0.647 0.270 1.00 2.31 H new ATOM 0 HG2 PRO A 8 -11.585 -0.146 -2.667 1.00 41.35 H new ATOM 0 HG3 PRO A 8 -12.398 -1.291 -1.619 1.00 41.35 H new ATOM 0 HD2 PRO A 8 -13.484 1.189 -2.326 1.00 30.23 H new ATOM 0 HD3 PRO A 8 -13.960 0.304 -0.890 1.00 30.23 H new ATOM 128 N GLN A 9 -10.682 2.822 -2.274 1.00 32.54 N ATOM 129 CA GLN A 9 -9.933 3.525 -3.301 1.00 24.43 C ATOM 130 C GLN A 9 -10.780 4.692 -3.802 1.00 41.41 C ATOM 131 O GLN A 9 -11.754 4.484 -4.523 1.00 15.24 O ATOM 132 CB GLN A 9 -9.622 2.549 -4.444 1.00 71.33 C ATOM 133 CG GLN A 9 -8.303 2.795 -5.160 1.00 74.14 C ATOM 134 CD GLN A 9 -8.259 4.106 -5.917 1.00 52.25 C ATOM 135 OE1 GLN A 9 -8.658 4.181 -7.075 1.00 73.22 O ATOM 136 NE2 GLN A 9 -7.755 5.142 -5.271 1.00 13.32 N ATOM 0 H GLN A 9 -11.692 2.838 -2.414 1.00 32.54 H new ATOM 0 HA GLN A 9 -8.993 3.910 -2.905 1.00 24.43 H new ATOM 0 HB2 GLN A 9 -9.617 1.535 -4.044 1.00 71.33 H new ATOM 0 HB3 GLN A 9 -10.429 2.600 -5.175 1.00 71.33 H new ATOM 0 HG2 GLN A 9 -7.494 2.780 -4.429 1.00 74.14 H new ATOM 0 HG3 GLN A 9 -8.119 1.977 -5.856 1.00 74.14 H new ATOM 0 HE21 GLN A 9 -7.435 5.036 -4.308 1.00 13.32 H new ATOM 0 HE22 GLN A 9 -7.686 6.048 -5.735 1.00 13.32 H new ATOM 145 N ALA A 10 -10.434 5.913 -3.402 1.00 55.51 N ATOM 146 CA ALA A 10 -11.298 7.055 -3.684 1.00 64.12 C ATOM 147 C ALA A 10 -10.524 8.296 -4.096 1.00 62.15 C ATOM 148 O ALA A 10 -10.899 9.417 -3.758 1.00 43.45 O ATOM 149 CB ALA A 10 -12.188 7.346 -2.485 1.00 33.55 C ATOM 0 H ALA A 10 -9.579 6.135 -2.892 1.00 55.51 H new ATOM 0 HA ALA A 10 -11.919 6.784 -4.538 1.00 64.12 H new ATOM 0 HB1 ALA A 10 -12.829 8.200 -2.706 1.00 33.55 H new ATOM 0 HB2 ALA A 10 -12.806 6.474 -2.271 1.00 33.55 H new ATOM 0 HB3 ALA A 10 -11.568 7.573 -1.618 1.00 33.55 H new ATOM 155 N LYS A 11 -9.468 8.074 -4.846 1.00 23.13 N ATOM 156 CA LYS A 11 -8.713 9.136 -5.493 1.00 32.32 C ATOM 157 C LYS A 11 -8.133 8.561 -6.767 1.00 12.10 C ATOM 158 O LYS A 11 -7.976 7.348 -6.857 1.00 10.12 O ATOM 159 CB LYS A 11 -7.592 9.668 -4.587 1.00 61.02 C ATOM 160 CG LYS A 11 -8.054 10.478 -3.378 1.00 72.32 C ATOM 161 CD LYS A 11 -8.428 11.921 -3.727 1.00 40.04 C ATOM 162 CE LYS A 11 -9.701 12.008 -4.553 1.00 74.32 C ATOM 163 NZ LYS A 11 -10.285 13.371 -4.540 1.00 10.23 N ATOM 0 H LYS A 11 -9.101 7.140 -5.029 1.00 23.13 H new ATOM 0 HA LYS A 11 -9.369 9.980 -5.706 1.00 32.32 H new ATOM 0 HB2 LYS A 11 -7.003 8.822 -4.232 1.00 61.02 H new ATOM 0 HB3 LYS A 11 -6.928 10.290 -5.187 1.00 61.02 H new ATOM 0 HG2 LYS A 11 -8.915 9.985 -2.926 1.00 72.32 H new ATOM 0 HG3 LYS A 11 -7.262 10.486 -2.629 1.00 72.32 H new ATOM 0 HD2 LYS A 11 -8.555 12.493 -2.808 1.00 40.04 H new ATOM 0 HD3 LYS A 11 -7.609 12.382 -4.278 1.00 40.04 H new ATOM 0 HE2 LYS A 11 -9.486 11.717 -5.581 1.00 74.32 H new ATOM 0 HE3 LYS A 11 -10.432 11.298 -4.167 1.00 74.32 H new ATOM 0 HZ1 LYS A 11 -11.151 13.383 -5.116 1.00 10.23 H new ATOM 0 HZ2 LYS A 11 -10.515 13.641 -3.562 1.00 10.23 H new ATOM 0 HZ3 LYS A 11 -9.599 14.047 -4.933 1.00 10.23 H new ATOM 177 N ARG A 12 -7.844 9.394 -7.754 1.00 25.32 N ATOM 178 CA ARG A 12 -7.263 8.903 -9.001 1.00 11.34 C ATOM 179 C ARG A 12 -6.573 10.002 -9.810 1.00 43.13 C ATOM 180 O ARG A 12 -5.437 9.825 -10.247 1.00 73.03 O ATOM 181 CB ARG A 12 -8.324 8.192 -9.859 1.00 34.05 C ATOM 182 CG ARG A 12 -9.625 8.965 -10.029 1.00 13.24 C ATOM 183 CD ARG A 12 -10.605 8.216 -10.921 1.00 50.22 C ATOM 184 NE ARG A 12 -10.104 8.075 -12.288 1.00 35.24 N ATOM 185 CZ ARG A 12 -10.524 7.149 -13.152 1.00 1.31 C ATOM 186 NH1 ARG A 12 -11.420 6.240 -12.788 1.00 23.34 N ATOM 187 NH2 ARG A 12 -10.028 7.128 -14.382 1.00 61.41 N ATOM 0 H ARG A 12 -7.998 10.402 -7.721 1.00 25.32 H new ATOM 0 HA ARG A 12 -6.493 8.185 -8.719 1.00 11.34 H new ATOM 0 HB2 ARG A 12 -7.903 7.995 -10.845 1.00 34.05 H new ATOM 0 HB3 ARG A 12 -8.548 7.225 -9.409 1.00 34.05 H new ATOM 0 HG2 ARG A 12 -10.078 9.137 -9.053 1.00 13.24 H new ATOM 0 HG3 ARG A 12 -9.414 9.944 -10.459 1.00 13.24 H new ATOM 0 HD2 ARG A 12 -10.796 7.228 -10.501 1.00 50.22 H new ATOM 0 HD3 ARG A 12 -11.558 8.745 -10.937 1.00 50.22 H new ATOM 0 HE ARG A 12 -9.386 8.728 -12.602 1.00 35.24 H new ATOM 0 HH11 ARG A 12 -11.795 6.245 -11.839 1.00 23.34 H new ATOM 0 HH12 ARG A 12 -11.734 5.537 -13.457 1.00 23.34 H new ATOM 0 HH21 ARG A 12 -9.330 7.817 -14.662 1.00 61.41 H new ATOM 0 HH22 ARG A 12 -10.345 6.423 -15.048 1.00 61.41 H new ATOM 201 N VAL A 13 -7.237 11.134 -10.004 1.00 73.35 N ATOM 202 CA VAL A 13 -6.711 12.167 -10.897 1.00 23.22 C ATOM 203 C VAL A 13 -5.472 12.864 -10.313 1.00 13.12 C ATOM 204 O VAL A 13 -4.422 12.876 -10.953 1.00 74.03 O ATOM 205 CB VAL A 13 -7.788 13.210 -11.285 1.00 41.04 C ATOM 206 CG1 VAL A 13 -7.225 14.222 -12.272 1.00 63.24 C ATOM 207 CG2 VAL A 13 -9.007 12.519 -11.871 1.00 52.11 C ATOM 0 H VAL A 13 -8.128 11.362 -9.564 1.00 73.35 H new ATOM 0 HA VAL A 13 -6.405 11.649 -11.806 1.00 23.22 H new ATOM 0 HB VAL A 13 -8.090 13.743 -10.383 1.00 41.04 H new ATOM 0 HG11 VAL A 13 -7.998 14.946 -12.532 1.00 63.24 H new ATOM 0 HG12 VAL A 13 -6.380 14.740 -11.819 1.00 63.24 H new ATOM 0 HG13 VAL A 13 -6.894 13.706 -13.173 1.00 63.24 H new ATOM 0 HG21 VAL A 13 -9.755 13.265 -12.139 1.00 52.11 H new ATOM 0 HG22 VAL A 13 -8.716 11.961 -12.761 1.00 52.11 H new ATOM 0 HG23 VAL A 13 -9.426 11.834 -11.134 1.00 52.11 H new ATOM 217 N PRO A 14 -5.550 13.449 -9.098 1.00 35.54 N ATOM 218 CA PRO A 14 -4.412 14.113 -8.478 1.00 53.21 C ATOM 219 C PRO A 14 -3.712 13.202 -7.473 1.00 3.21 C ATOM 220 O PRO A 14 -3.222 13.652 -6.436 1.00 13.12 O ATOM 221 CB PRO A 14 -5.089 15.280 -7.767 1.00 63.24 C ATOM 222 CG PRO A 14 -6.417 14.741 -7.326 1.00 75.12 C ATOM 223 CD PRO A 14 -6.727 13.529 -8.217 1.00 65.53 C ATOM 0 HA PRO A 14 -3.636 14.404 -9.186 1.00 53.21 H new ATOM 0 HB2 PRO A 14 -4.499 15.622 -6.917 1.00 63.24 H new ATOM 0 HB3 PRO A 14 -5.210 16.133 -8.434 1.00 63.24 H new ATOM 0 HG2 PRO A 14 -6.386 14.450 -6.276 1.00 75.12 H new ATOM 0 HG3 PRO A 14 -7.193 15.500 -7.424 1.00 75.12 H new ATOM 0 HD2 PRO A 14 -6.853 12.619 -7.630 1.00 65.53 H new ATOM 0 HD3 PRO A 14 -7.646 13.672 -8.785 1.00 65.53 H new ATOM 231 N GLY A 15 -3.666 11.923 -7.804 1.00 44.15 N ATOM 232 CA GLY A 15 -3.174 10.928 -6.882 1.00 52.34 C ATOM 233 C GLY A 15 -4.285 9.986 -6.480 1.00 14.21 C ATOM 234 O GLY A 15 -5.443 10.391 -6.433 1.00 11.11 O ATOM 0 H GLY A 15 -3.965 11.554 -8.707 1.00 44.15 H new ATOM 0 HA2 GLY A 15 -2.362 10.366 -7.343 1.00 52.34 H new ATOM 0 HA3 GLY A 15 -2.763 11.415 -5.997 1.00 52.34 H new ATOM 238 N LEU A 16 -3.952 8.732 -6.214 1.00 11.21 N ATOM 239 CA LEU A 16 -4.950 7.745 -5.810 1.00 41.24 C ATOM 240 C LEU A 16 -4.532 7.121 -4.491 1.00 51.42 C ATOM 241 O LEU A 16 -3.370 6.760 -4.300 1.00 22.25 O ATOM 242 CB LEU A 16 -5.146 6.676 -6.903 1.00 5.53 C ATOM 243 CG LEU A 16 -4.070 5.599 -7.022 1.00 22.43 C ATOM 244 CD1 LEU A 16 -4.444 4.360 -6.222 1.00 40.10 C ATOM 245 CD2 LEU A 16 -3.838 5.240 -8.476 1.00 25.11 C ATOM 0 H LEU A 16 -3.000 8.371 -6.270 1.00 11.21 H new ATOM 0 HA LEU A 16 -5.911 8.241 -5.675 1.00 41.24 H new ATOM 0 HB2 LEU A 16 -6.101 6.182 -6.726 1.00 5.53 H new ATOM 0 HB3 LEU A 16 -5.224 7.185 -7.864 1.00 5.53 H new ATOM 0 HG LEU A 16 -3.145 6.000 -6.609 1.00 22.43 H new ATOM 0 HD11 LEU A 16 -3.660 3.610 -6.325 1.00 40.10 H new ATOM 0 HD12 LEU A 16 -4.556 4.626 -5.171 1.00 40.10 H new ATOM 0 HD13 LEU A 16 -5.384 3.955 -6.596 1.00 40.10 H new ATOM 0 HD21 LEU A 16 -3.068 4.471 -8.543 1.00 25.11 H new ATOM 0 HD22 LEU A 16 -4.764 4.864 -8.910 1.00 25.11 H new ATOM 0 HD23 LEU A 16 -3.514 6.126 -9.022 1.00 25.11 H new ATOM 257 N VAL A 17 -5.475 7.028 -3.572 1.00 62.03 N ATOM 258 CA VAL A 17 -5.195 6.500 -2.254 1.00 10.24 C ATOM 259 C VAL A 17 -5.890 5.162 -2.055 1.00 52.32 C ATOM 260 O VAL A 17 -7.059 4.993 -2.423 1.00 24.35 O ATOM 261 CB VAL A 17 -5.627 7.488 -1.147 1.00 22.34 C ATOM 262 CG1 VAL A 17 -4.910 8.815 -1.324 1.00 22.15 C ATOM 263 CG2 VAL A 17 -7.136 7.701 -1.141 1.00 21.13 C ATOM 0 H VAL A 17 -6.444 7.313 -3.717 1.00 62.03 H new ATOM 0 HA VAL A 17 -4.117 6.356 -2.180 1.00 10.24 H new ATOM 0 HB VAL A 17 -5.351 7.054 -0.186 1.00 22.34 H new ATOM 0 HG11 VAL A 17 -5.221 9.504 -0.539 1.00 22.15 H new ATOM 0 HG12 VAL A 17 -3.833 8.658 -1.263 1.00 22.15 H new ATOM 0 HG13 VAL A 17 -5.160 9.237 -2.297 1.00 22.15 H new ATOM 0 HG21 VAL A 17 -7.401 8.402 -0.349 1.00 21.13 H new ATOM 0 HG22 VAL A 17 -7.450 8.105 -2.103 1.00 21.13 H new ATOM 0 HG23 VAL A 17 -7.637 6.749 -0.966 1.00 21.13 H new ATOM 273 N VAL A 18 -5.151 4.203 -1.521 1.00 62.24 N ATOM 274 CA VAL A 18 -5.720 2.912 -1.156 1.00 43.20 C ATOM 275 C VAL A 18 -5.327 2.590 0.282 1.00 43.31 C ATOM 276 O VAL A 18 -4.277 1.999 0.532 1.00 55.25 O ATOM 277 CB VAL A 18 -5.245 1.767 -2.086 1.00 3.32 C ATOM 278 CG1 VAL A 18 -6.334 0.718 -2.248 1.00 34.42 C ATOM 279 CG2 VAL A 18 -4.808 2.294 -3.443 1.00 54.13 C ATOM 0 H VAL A 18 -4.153 4.293 -1.330 1.00 62.24 H new ATOM 0 HA VAL A 18 -6.803 2.985 -1.261 1.00 43.20 H new ATOM 0 HB VAL A 18 -4.379 1.301 -1.616 1.00 3.32 H new ATOM 0 HG11 VAL A 18 -5.979 -0.076 -2.905 1.00 34.42 H new ATOM 0 HG12 VAL A 18 -6.583 0.299 -1.273 1.00 34.42 H new ATOM 0 HG13 VAL A 18 -7.221 1.179 -2.682 1.00 34.42 H new ATOM 0 HG21 VAL A 18 -4.482 1.463 -4.068 1.00 54.13 H new ATOM 0 HG22 VAL A 18 -5.645 2.802 -3.923 1.00 54.13 H new ATOM 0 HG23 VAL A 18 -3.984 2.996 -3.313 1.00 54.13 H new ATOM 289 N TYR A 19 -6.152 3.014 1.224 1.00 32.43 N ATOM 290 CA TYR A 19 -5.812 2.910 2.637 1.00 63.22 C ATOM 291 C TYR A 19 -6.240 1.570 3.223 1.00 54.04 C ATOM 292 O TYR A 19 -6.739 0.709 2.505 1.00 0.20 O ATOM 293 CB TYR A 19 -6.427 4.075 3.427 1.00 53.24 C ATOM 294 CG TYR A 19 -7.931 4.195 3.322 1.00 24.40 C ATOM 295 CD1 TYR A 19 -8.526 4.857 2.254 1.00 53.31 C ATOM 296 CD2 TYR A 19 -8.756 3.659 4.299 1.00 51.24 C ATOM 297 CE1 TYR A 19 -9.900 4.978 2.168 1.00 41.44 C ATOM 298 CE2 TYR A 19 -10.128 3.774 4.219 1.00 41.41 C ATOM 299 CZ TYR A 19 -10.698 4.431 3.153 1.00 63.41 C ATOM 300 OH TYR A 19 -12.067 4.551 3.077 1.00 50.14 O ATOM 0 H TYR A 19 -7.063 3.434 1.038 1.00 32.43 H new ATOM 0 HA TYR A 19 -4.727 2.969 2.721 1.00 63.22 H new ATOM 0 HB2 TYR A 19 -6.159 3.963 4.478 1.00 53.24 H new ATOM 0 HB3 TYR A 19 -5.978 5.006 3.081 1.00 53.24 H new ATOM 0 HD1 TYR A 19 -7.905 5.283 1.480 1.00 53.31 H new ATOM 0 HD2 TYR A 19 -8.316 3.142 5.139 1.00 51.24 H new ATOM 0 HE1 TYR A 19 -10.348 5.498 1.334 1.00 41.44 H new ATOM 0 HE2 TYR A 19 -10.753 3.350 4.991 1.00 41.41 H new ATOM 0 HH TYR A 19 -12.352 4.457 2.144 1.00 50.14 H new ATOM 310 N ARG A 20 -5.998 1.400 4.526 1.00 73.43 N ATOM 311 CA ARG A 20 -6.355 0.168 5.251 1.00 1.25 C ATOM 312 C ARG A 20 -7.735 -0.391 4.888 1.00 74.23 C ATOM 313 O ARG A 20 -8.705 0.347 4.715 1.00 71.54 O ATOM 314 CB ARG A 20 -6.271 0.378 6.776 1.00 12.00 C ATOM 315 CG ARG A 20 -6.718 1.751 7.274 1.00 35.11 C ATOM 316 CD ARG A 20 -8.203 2.016 7.067 1.00 11.32 C ATOM 317 NE ARG A 20 -9.061 1.335 8.037 1.00 1.33 N ATOM 318 CZ ARG A 20 -10.347 1.062 7.808 1.00 0.25 C ATOM 319 NH1 ARG A 20 -10.847 1.230 6.590 1.00 12.04 N ATOM 320 NH2 ARG A 20 -11.117 0.594 8.781 1.00 2.23 N ATOM 0 H ARG A 20 -5.551 2.107 5.110 1.00 73.43 H new ATOM 0 HA ARG A 20 -5.620 -0.572 4.934 1.00 1.25 H new ATOM 0 HB2 ARG A 20 -6.880 -0.383 7.264 1.00 12.00 H new ATOM 0 HB3 ARG A 20 -5.241 0.213 7.092 1.00 12.00 H new ATOM 0 HG2 ARG A 20 -6.486 1.837 8.335 1.00 35.11 H new ATOM 0 HG3 ARG A 20 -6.144 2.521 6.758 1.00 35.11 H new ATOM 0 HD2 ARG A 20 -8.383 3.089 7.126 1.00 11.32 H new ATOM 0 HD3 ARG A 20 -8.483 1.700 6.062 1.00 11.32 H new ATOM 0 HE ARG A 20 -8.657 1.056 8.931 1.00 1.33 H new ATOM 0 HH11 ARG A 20 -10.249 1.566 5.835 1.00 12.04 H new ATOM 0 HH12 ARG A 20 -11.829 1.023 6.409 1.00 12.04 H new ATOM 0 HH21 ARG A 20 -10.727 0.441 9.711 1.00 2.23 H new ATOM 0 HH22 ARG A 20 -12.099 0.387 8.599 1.00 2.23 H new ATOM 334 N TYR A 21 -7.791 -1.711 4.775 1.00 75.44 N ATOM 335 CA TYR A 21 -9.037 -2.433 4.555 1.00 4.24 C ATOM 336 C TYR A 21 -9.235 -3.392 5.716 1.00 13.02 C ATOM 337 O TYR A 21 -8.465 -4.336 5.875 1.00 34.44 O ATOM 338 CB TYR A 21 -8.982 -3.229 3.249 1.00 23.43 C ATOM 339 CG TYR A 21 -7.940 -2.741 2.270 1.00 12.04 C ATOM 340 CD1 TYR A 21 -6.635 -3.213 2.335 1.00 0.31 C ATOM 341 CD2 TYR A 21 -8.254 -1.811 1.289 1.00 2.40 C ATOM 342 CE1 TYR A 21 -5.673 -2.772 1.453 1.00 13.30 C ATOM 343 CE2 TYR A 21 -7.297 -1.367 0.398 1.00 61.24 C ATOM 344 CZ TYR A 21 -6.007 -1.851 0.488 1.00 13.53 C ATOM 345 OH TYR A 21 -5.044 -1.403 -0.387 1.00 33.32 O ATOM 0 H TYR A 21 -6.970 -2.314 4.834 1.00 75.44 H new ATOM 0 HA TYR A 21 -9.861 -1.723 4.488 1.00 4.24 H new ATOM 0 HB2 TYR A 21 -8.784 -4.275 3.482 1.00 23.43 H new ATOM 0 HB3 TYR A 21 -9.961 -3.189 2.771 1.00 23.43 H new ATOM 0 HD1 TYR A 21 -6.370 -3.938 3.090 1.00 0.31 H new ATOM 0 HD2 TYR A 21 -9.262 -1.429 1.221 1.00 2.40 H new ATOM 0 HE1 TYR A 21 -4.662 -3.147 1.519 1.00 13.30 H new ATOM 0 HE2 TYR A 21 -7.556 -0.646 -0.364 1.00 61.24 H new ATOM 0 HH TYR A 21 -4.189 -1.836 -0.183 1.00 33.32 H new ATOM 355 N ASP A 22 -10.249 -3.160 6.532 1.00 64.35 N ATOM 356 CA ASP A 22 -10.369 -3.889 7.789 1.00 71.42 C ATOM 357 C ASP A 22 -11.092 -5.225 7.631 1.00 22.44 C ATOM 358 O ASP A 22 -12.260 -5.361 7.996 1.00 3.54 O ATOM 359 CB ASP A 22 -11.065 -3.037 8.851 1.00 70.31 C ATOM 360 CG ASP A 22 -10.947 -3.644 10.235 1.00 53.33 C ATOM 361 OD1 ASP A 22 -9.819 -4.008 10.630 1.00 54.32 O ATOM 362 OD2 ASP A 22 -11.970 -3.726 10.949 1.00 0.34 O ATOM 0 H ASP A 22 -10.992 -2.484 6.354 1.00 64.35 H new ATOM 0 HA ASP A 22 -9.352 -4.108 8.115 1.00 71.42 H new ATOM 0 HB2 ASP A 22 -10.630 -2.037 8.856 1.00 70.31 H new ATOM 0 HB3 ASP A 22 -12.118 -2.925 8.593 1.00 70.31 H new ATOM 367 N ALA A 23 -10.398 -6.192 7.041 1.00 3.21 N ATOM 368 CA ALA A 23 -10.838 -7.578 7.034 1.00 2.15 C ATOM 369 C ALA A 23 -9.707 -8.488 6.586 1.00 45.22 C ATOM 370 O ALA A 23 -8.967 -8.148 5.663 1.00 64.24 O ATOM 371 CB ALA A 23 -12.034 -7.768 6.126 1.00 1.23 C ATOM 0 H ALA A 23 -9.515 -6.035 6.555 1.00 3.21 H new ATOM 0 HA ALA A 23 -11.131 -7.839 8.051 1.00 2.15 H new ATOM 0 HB1 ALA A 23 -12.340 -8.814 6.141 1.00 1.23 H new ATOM 0 HB2 ALA A 23 -12.857 -7.144 6.473 1.00 1.23 H new ATOM 0 HB3 ALA A 23 -11.767 -7.483 5.108 1.00 1.23 H new ATOM 377 N PRO A 24 -9.538 -9.639 7.252 1.00 54.43 N ATOM 378 CA PRO A 24 -8.522 -10.630 6.881 1.00 32.12 C ATOM 379 C PRO A 24 -8.771 -11.228 5.501 1.00 64.54 C ATOM 380 O PRO A 24 -9.518 -12.194 5.356 1.00 52.51 O ATOM 381 CB PRO A 24 -8.637 -11.716 7.962 1.00 42.45 C ATOM 382 CG PRO A 24 -9.359 -11.065 9.088 1.00 2.21 C ATOM 383 CD PRO A 24 -10.302 -10.062 8.434 1.00 15.44 C ATOM 0 HA PRO A 24 -7.531 -10.179 6.827 1.00 32.12 H new ATOM 0 HB2 PRO A 24 -9.183 -12.584 7.593 1.00 42.45 H new ATOM 0 HB3 PRO A 24 -7.654 -12.067 8.274 1.00 42.45 H new ATOM 0 HG2 PRO A 24 -9.911 -11.797 9.677 1.00 2.21 H new ATOM 0 HG3 PRO A 24 -8.665 -10.568 9.766 1.00 2.21 H new ATOM 0 HD2 PRO A 24 -11.254 -10.517 8.161 1.00 15.44 H new ATOM 0 HD3 PRO A 24 -10.526 -9.224 9.094 1.00 15.44 H new ATOM 391 N LEU A 25 -8.164 -10.630 4.488 1.00 2.21 N ATOM 392 CA LEU A 25 -8.256 -11.161 3.140 1.00 13.51 C ATOM 393 C LEU A 25 -7.084 -12.091 2.867 1.00 33.31 C ATOM 394 O LEU A 25 -7.034 -12.761 1.829 1.00 3.53 O ATOM 395 CB LEU A 25 -8.385 -10.040 2.063 1.00 54.11 C ATOM 396 CG LEU A 25 -7.225 -9.023 1.861 1.00 64.15 C ATOM 397 CD1 LEU A 25 -6.908 -8.237 3.122 1.00 63.34 C ATOM 398 CD2 LEU A 25 -5.968 -9.688 1.319 1.00 14.22 C ATOM 0 H LEU A 25 -7.605 -9.781 4.574 1.00 2.21 H new ATOM 0 HA LEU A 25 -9.176 -11.740 3.068 1.00 13.51 H new ATOM 0 HB2 LEU A 25 -8.559 -10.529 1.104 1.00 54.11 H new ATOM 0 HB3 LEU A 25 -9.282 -9.467 2.296 1.00 54.11 H new ATOM 0 HG LEU A 25 -7.583 -8.314 1.114 1.00 64.15 H new ATOM 0 HD11 LEU A 25 -6.091 -7.543 2.923 1.00 63.34 H new ATOM 0 HD12 LEU A 25 -7.791 -7.679 3.434 1.00 63.34 H new ATOM 0 HD13 LEU A 25 -6.614 -8.925 3.915 1.00 63.34 H new ATOM 0 HD21 LEU A 25 -5.185 -8.940 1.194 1.00 14.22 H new ATOM 0 HD22 LEU A 25 -5.630 -10.453 2.019 1.00 14.22 H new ATOM 0 HD23 LEU A 25 -6.187 -10.149 0.356 1.00 14.22 H new ATOM 410 N CYS A 26 -6.146 -12.120 3.817 1.00 73.50 N ATOM 411 CA CYS A 26 -4.984 -13.004 3.759 1.00 22.21 C ATOM 412 C CYS A 26 -4.063 -12.594 2.615 1.00 53.53 C ATOM 413 O CYS A 26 -3.081 -11.881 2.828 1.00 2.02 O ATOM 414 CB CYS A 26 -5.422 -14.466 3.590 1.00 51.10 C ATOM 415 SG CYS A 26 -6.763 -14.975 4.691 1.00 3.42 S ATOM 0 H CYS A 26 -6.173 -11.530 4.648 1.00 73.50 H new ATOM 0 HA CYS A 26 -4.439 -12.914 4.698 1.00 22.21 H new ATOM 0 HB2 CYS A 26 -5.736 -14.622 2.558 1.00 51.10 H new ATOM 0 HB3 CYS A 26 -4.562 -15.113 3.762 1.00 51.10 H new ATOM 0 HG CYS A 26 -7.059 -16.221 4.468 1.00 3.42 H new ATOM 421 N PHE A 27 -4.407 -13.067 1.415 1.00 13.32 N ATOM 422 CA PHE A 27 -3.757 -12.685 0.161 1.00 62.21 C ATOM 423 C PHE A 27 -4.259 -13.592 -0.957 1.00 13.04 C ATOM 424 O PHE A 27 -3.641 -13.677 -2.017 1.00 15.22 O ATOM 425 CB PHE A 27 -2.225 -12.772 0.243 1.00 54.11 C ATOM 426 CG PHE A 27 -1.675 -14.180 0.276 1.00 30.43 C ATOM 427 CD1 PHE A 27 -2.012 -15.056 1.297 1.00 52.02 C ATOM 428 CD2 PHE A 27 -0.827 -14.624 -0.726 1.00 74.12 C ATOM 429 CE1 PHE A 27 -1.510 -16.346 1.317 1.00 3.14 C ATOM 430 CE2 PHE A 27 -0.324 -15.911 -0.709 1.00 41.44 C ATOM 431 CZ PHE A 27 -0.666 -16.773 0.313 1.00 10.44 C ATOM 0 H PHE A 27 -5.162 -13.741 1.286 1.00 13.32 H new ATOM 0 HA PHE A 27 -4.012 -11.645 -0.041 1.00 62.21 H new ATOM 0 HB2 PHE A 27 -1.798 -12.249 -0.613 1.00 54.11 H new ATOM 0 HB3 PHE A 27 -1.892 -12.245 1.137 1.00 54.11 H new ATOM 0 HD1 PHE A 27 -2.673 -14.728 2.085 1.00 52.02 H new ATOM 0 HD2 PHE A 27 -0.556 -13.956 -1.530 1.00 74.12 H new ATOM 0 HE1 PHE A 27 -1.779 -17.018 2.119 1.00 3.14 H new ATOM 0 HE2 PHE A 27 0.337 -16.242 -1.496 1.00 41.44 H new ATOM 0 HZ PHE A 27 -0.274 -17.779 0.327 1.00 10.44 H new ATOM 441 N ALA A 28 -5.417 -14.219 -0.713 1.00 54.21 N ATOM 442 CA ALA A 28 -5.946 -15.284 -1.571 1.00 73.45 C ATOM 443 C ALA A 28 -5.831 -14.951 -3.052 1.00 70.21 C ATOM 444 O ALA A 28 -5.123 -15.629 -3.797 1.00 12.42 O ATOM 445 CB ALA A 28 -7.396 -15.567 -1.211 1.00 5.42 C ATOM 0 H ALA A 28 -6.013 -14.001 0.086 1.00 54.21 H new ATOM 0 HA ALA A 28 -5.340 -16.173 -1.394 1.00 73.45 H new ATOM 0 HB1 ALA A 28 -7.782 -16.359 -1.852 1.00 5.42 H new ATOM 0 HB2 ALA A 28 -7.458 -15.881 -0.169 1.00 5.42 H new ATOM 0 HB3 ALA A 28 -7.989 -14.664 -1.353 1.00 5.42 H new ATOM 451 N ASN A 29 -6.527 -13.918 -3.479 1.00 12.45 N ATOM 452 CA ASN A 29 -6.420 -13.450 -4.850 1.00 22.43 C ATOM 453 C ASN A 29 -5.840 -12.049 -4.863 1.00 24.33 C ATOM 454 O ASN A 29 -6.023 -11.305 -5.819 1.00 70.25 O ATOM 455 CB ASN A 29 -7.787 -13.468 -5.551 1.00 51.13 C ATOM 456 CG ASN A 29 -8.796 -12.513 -4.936 1.00 55.10 C ATOM 457 OD1 ASN A 29 -8.803 -12.277 -3.725 1.00 62.45 O ATOM 458 ND2 ASN A 29 -9.658 -11.953 -5.773 1.00 50.42 N ATOM 0 H ASN A 29 -7.174 -13.385 -2.898 1.00 12.45 H new ATOM 0 HA ASN A 29 -5.758 -14.122 -5.396 1.00 22.43 H new ATOM 0 HB2 ASN A 29 -7.651 -13.213 -6.602 1.00 51.13 H new ATOM 0 HB3 ASN A 29 -8.190 -14.480 -5.518 1.00 51.13 H new ATOM 0 HD21 ASN A 29 -10.360 -11.301 -5.422 1.00 50.42 H new ATOM 0 HD22 ASN A 29 -9.620 -12.174 -6.768 1.00 50.42 H new ATOM 465 N ALA A 30 -5.111 -11.712 -3.800 1.00 60.52 N ATOM 466 CA ALA A 30 -4.574 -10.363 -3.621 1.00 2.42 C ATOM 467 C ALA A 30 -3.658 -9.974 -4.770 1.00 53.01 C ATOM 468 O ALA A 30 -3.627 -8.818 -5.173 1.00 53.50 O ATOM 469 CB ALA A 30 -3.835 -10.250 -2.298 1.00 23.11 C ATOM 0 H ALA A 30 -4.878 -12.358 -3.046 1.00 60.52 H new ATOM 0 HA ALA A 30 -5.417 -9.672 -3.612 1.00 2.42 H new ATOM 0 HB1 ALA A 30 -3.444 -9.239 -2.185 1.00 23.11 H new ATOM 0 HB2 ALA A 30 -4.520 -10.468 -1.479 1.00 23.11 H new ATOM 0 HB3 ALA A 30 -3.010 -10.962 -2.280 1.00 23.11 H new ATOM 475 N GLU A 31 -2.914 -10.950 -5.279 1.00 2.24 N ATOM 476 CA GLU A 31 -2.071 -10.760 -6.454 1.00 4.13 C ATOM 477 C GLU A 31 -2.919 -10.221 -7.605 1.00 70.31 C ATOM 478 O GLU A 31 -2.802 -9.052 -8.018 1.00 60.11 O ATOM 479 CB GLU A 31 -1.451 -12.120 -6.826 1.00 12.35 C ATOM 480 CG GLU A 31 -0.415 -12.102 -7.947 1.00 50.51 C ATOM 481 CD GLU A 31 -0.996 -11.820 -9.322 1.00 72.34 C ATOM 482 OE1 GLU A 31 -1.710 -12.688 -9.871 1.00 63.10 O ATOM 483 OE2 GLU A 31 -0.737 -10.730 -9.862 1.00 0.21 O ATOM 0 H GLU A 31 -2.878 -11.892 -4.890 1.00 2.24 H new ATOM 0 HA GLU A 31 -1.277 -10.042 -6.248 1.00 4.13 H new ATOM 0 HB2 GLU A 31 -0.985 -12.540 -5.935 1.00 12.35 H new ATOM 0 HB3 GLU A 31 -2.256 -12.797 -7.113 1.00 12.35 H new ATOM 0 HG2 GLU A 31 0.337 -11.347 -7.720 1.00 50.51 H new ATOM 0 HG3 GLU A 31 0.096 -13.064 -7.970 1.00 50.51 H new ATOM 490 N ASP A 32 -3.798 -11.093 -8.070 1.00 61.11 N ATOM 491 CA ASP A 32 -4.679 -10.823 -9.191 1.00 30.15 C ATOM 492 C ASP A 32 -5.507 -9.571 -8.948 1.00 41.23 C ATOM 493 O ASP A 32 -5.452 -8.625 -9.727 1.00 61.34 O ATOM 494 CB ASP A 32 -5.587 -12.033 -9.388 1.00 43.03 C ATOM 495 CG ASP A 32 -6.527 -11.891 -10.564 1.00 4.44 C ATOM 496 OD1 ASP A 32 -6.140 -12.285 -11.682 1.00 70.12 O ATOM 497 OD2 ASP A 32 -7.668 -11.420 -10.367 1.00 32.32 O ATOM 0 H ASP A 32 -3.920 -12.024 -7.671 1.00 61.11 H new ATOM 0 HA ASP A 32 -4.084 -10.649 -10.088 1.00 30.15 H new ATOM 0 HB2 ASP A 32 -4.971 -12.921 -9.529 1.00 43.03 H new ATOM 0 HB3 ASP A 32 -6.172 -12.191 -8.482 1.00 43.03 H new ATOM 502 N PHE A 33 -6.234 -9.571 -7.838 1.00 21.50 N ATOM 503 CA PHE A 33 -7.111 -8.469 -7.462 1.00 72.01 C ATOM 504 C PHE A 33 -6.379 -7.125 -7.476 1.00 32.14 C ATOM 505 O PHE A 33 -6.872 -6.147 -8.048 1.00 24.23 O ATOM 506 CB PHE A 33 -7.711 -8.748 -6.074 1.00 61.43 C ATOM 507 CG PHE A 33 -8.054 -7.513 -5.295 1.00 21.53 C ATOM 508 CD1 PHE A 33 -9.077 -6.677 -5.710 1.00 41.15 C ATOM 509 CD2 PHE A 33 -7.329 -7.176 -4.158 1.00 4.45 C ATOM 510 CE1 PHE A 33 -9.378 -5.528 -5.007 1.00 72.34 C ATOM 511 CE2 PHE A 33 -7.623 -6.026 -3.453 1.00 12.14 C ATOM 512 CZ PHE A 33 -8.649 -5.202 -3.880 1.00 70.42 C ATOM 0 H PHE A 33 -6.232 -10.341 -7.169 1.00 21.50 H new ATOM 0 HA PHE A 33 -7.911 -8.400 -8.199 1.00 72.01 H new ATOM 0 HB2 PHE A 33 -8.611 -9.351 -6.194 1.00 61.43 H new ATOM 0 HB3 PHE A 33 -7.003 -9.343 -5.497 1.00 61.43 H new ATOM 0 HD1 PHE A 33 -9.646 -6.927 -6.594 1.00 41.15 H new ATOM 0 HD2 PHE A 33 -6.529 -7.819 -3.823 1.00 4.45 H new ATOM 0 HE1 PHE A 33 -10.181 -4.886 -5.337 1.00 72.34 H new ATOM 0 HE2 PHE A 33 -7.054 -5.771 -2.571 1.00 12.14 H new ATOM 0 HZ PHE A 33 -8.881 -4.301 -3.331 1.00 70.42 H new ATOM 522 N ARG A 34 -5.199 -7.085 -6.863 1.00 21.24 N ATOM 523 CA ARG A 34 -4.457 -5.841 -6.718 1.00 10.22 C ATOM 524 C ARG A 34 -4.157 -5.223 -8.069 1.00 1.02 C ATOM 525 O ARG A 34 -4.586 -4.103 -8.359 1.00 3.24 O ATOM 526 CB ARG A 34 -3.150 -6.063 -5.956 1.00 53.22 C ATOM 527 CG ARG A 34 -2.323 -4.799 -5.774 1.00 2.54 C ATOM 528 CD ARG A 34 -3.117 -3.705 -5.074 1.00 64.43 C ATOM 529 NE ARG A 34 -3.751 -4.180 -3.846 1.00 51.41 N ATOM 530 CZ ARG A 34 -4.267 -3.377 -2.914 1.00 65.14 C ATOM 531 NH1 ARG A 34 -4.191 -2.060 -3.048 1.00 5.12 N ATOM 532 NH2 ARG A 34 -4.858 -3.889 -1.844 1.00 44.43 N ATOM 0 H ARG A 34 -4.738 -7.901 -6.460 1.00 21.24 H new ATOM 0 HA ARG A 34 -5.085 -5.156 -6.148 1.00 10.22 H new ATOM 0 HB2 ARG A 34 -3.378 -6.481 -4.976 1.00 53.22 H new ATOM 0 HB3 ARG A 34 -2.552 -6.804 -6.487 1.00 53.22 H new ATOM 0 HG2 ARG A 34 -1.429 -5.029 -5.194 1.00 2.54 H new ATOM 0 HG3 ARG A 34 -1.988 -4.440 -6.747 1.00 2.54 H new ATOM 0 HD2 ARG A 34 -2.455 -2.872 -4.840 1.00 64.43 H new ATOM 0 HD3 ARG A 34 -3.881 -3.324 -5.751 1.00 64.43 H new ATOM 0 HE ARG A 34 -3.802 -5.187 -3.692 1.00 51.41 H new ATOM 0 HH11 ARG A 34 -3.736 -1.656 -3.867 1.00 5.12 H new ATOM 0 HH12 ARG A 34 -4.587 -1.451 -2.332 1.00 5.12 H new ATOM 0 HH21 ARG A 34 -4.920 -4.901 -1.731 1.00 44.43 H new ATOM 0 HH22 ARG A 34 -5.251 -3.271 -1.134 1.00 44.43 H new ATOM 546 N ARG A 35 -3.434 -5.948 -8.909 1.00 24.14 N ATOM 547 CA ARG A 35 -3.029 -5.375 -10.180 1.00 43.01 C ATOM 548 C ARG A 35 -4.176 -5.366 -11.182 1.00 24.23 C ATOM 549 O ARG A 35 -4.103 -4.678 -12.189 1.00 51.20 O ATOM 550 CB ARG A 35 -1.770 -6.051 -10.747 1.00 31.22 C ATOM 551 CG ARG A 35 -1.724 -7.566 -10.629 1.00 72.13 C ATOM 552 CD ARG A 35 -2.608 -8.261 -11.647 1.00 52.55 C ATOM 553 NE ARG A 35 -2.389 -9.702 -11.614 1.00 4.01 N ATOM 554 CZ ARG A 35 -2.683 -10.536 -12.603 1.00 5.34 C ATOM 555 NH1 ARG A 35 -3.241 -10.090 -13.720 1.00 11.04 N ATOM 556 NH2 ARG A 35 -2.403 -11.826 -12.468 1.00 32.12 N ATOM 0 H ARG A 35 -3.124 -6.905 -8.741 1.00 24.14 H new ATOM 0 HA ARG A 35 -2.762 -4.335 -9.990 1.00 43.01 H new ATOM 0 HB2 ARG A 35 -1.680 -5.784 -11.800 1.00 31.22 H new ATOM 0 HB3 ARG A 35 -0.899 -5.639 -10.238 1.00 31.22 H new ATOM 0 HG2 ARG A 35 -0.696 -7.905 -10.756 1.00 72.13 H new ATOM 0 HG3 ARG A 35 -2.034 -7.858 -9.626 1.00 72.13 H new ATOM 0 HD2 ARG A 35 -3.655 -8.041 -11.438 1.00 52.55 H new ATOM 0 HD3 ARG A 35 -2.395 -7.878 -12.645 1.00 52.55 H new ATOM 0 HE ARG A 35 -1.979 -10.098 -10.768 1.00 4.01 H new ATOM 0 HH11 ARG A 35 -3.448 -9.097 -13.825 1.00 11.04 H new ATOM 0 HH12 ARG A 35 -3.463 -10.740 -14.474 1.00 11.04 H new ATOM 0 HH21 ARG A 35 -1.967 -12.166 -11.611 1.00 32.12 H new ATOM 0 HH22 ARG A 35 -2.624 -12.477 -13.221 1.00 32.12 H new ATOM 570 N ARG A 36 -5.244 -6.096 -10.891 1.00 44.50 N ATOM 571 CA ARG A 36 -6.429 -6.076 -11.737 1.00 41.53 C ATOM 572 C ARG A 36 -7.070 -4.693 -11.724 1.00 43.43 C ATOM 573 O ARG A 36 -7.093 -4.002 -12.744 1.00 2.04 O ATOM 574 CB ARG A 36 -7.442 -7.131 -11.277 1.00 12.34 C ATOM 575 CG ARG A 36 -8.730 -7.167 -12.088 1.00 32.04 C ATOM 576 CD ARG A 36 -8.465 -7.369 -13.572 1.00 32.11 C ATOM 577 NE ARG A 36 -9.698 -7.622 -14.317 1.00 11.05 N ATOM 578 CZ ARG A 36 -10.495 -6.668 -14.806 1.00 41.40 C ATOM 579 NH1 ARG A 36 -10.209 -5.388 -14.604 1.00 32.04 N ATOM 580 NH2 ARG A 36 -11.584 -6.994 -15.492 1.00 43.05 N ATOM 0 H ARG A 36 -5.314 -6.708 -10.078 1.00 44.50 H new ATOM 0 HA ARG A 36 -6.123 -6.311 -12.756 1.00 41.53 H new ATOM 0 HB2 ARG A 36 -6.971 -8.113 -11.323 1.00 12.34 H new ATOM 0 HB3 ARG A 36 -7.691 -6.946 -10.232 1.00 12.34 H new ATOM 0 HG2 ARG A 36 -9.367 -7.972 -11.721 1.00 32.04 H new ATOM 0 HG3 ARG A 36 -9.277 -6.236 -11.941 1.00 32.04 H new ATOM 0 HD2 ARG A 36 -7.972 -6.485 -13.976 1.00 32.11 H new ATOM 0 HD3 ARG A 36 -7.781 -8.206 -13.708 1.00 32.11 H new ATOM 0 HE ARG A 36 -9.968 -8.593 -14.474 1.00 11.05 H new ATOM 0 HH11 ARG A 36 -9.377 -5.129 -14.073 1.00 32.04 H new ATOM 0 HH12 ARG A 36 -10.821 -4.663 -14.979 1.00 32.04 H new ATOM 0 HH21 ARG A 36 -11.814 -7.975 -15.647 1.00 43.05 H new ATOM 0 HH22 ARG A 36 -12.190 -6.263 -15.864 1.00 43.05 H new ATOM 594 N ALA A 37 -7.566 -4.280 -10.563 1.00 71.44 N ATOM 595 CA ALA A 37 -8.257 -3.004 -10.450 1.00 23.45 C ATOM 596 C ALA A 37 -7.305 -1.837 -10.690 1.00 34.44 C ATOM 597 O ALA A 37 -7.604 -0.916 -11.463 1.00 70.45 O ATOM 598 CB ALA A 37 -8.922 -2.882 -9.089 1.00 24.04 C ATOM 0 H ALA A 37 -7.502 -4.808 -9.692 1.00 71.44 H new ATOM 0 HA ALA A 37 -9.028 -2.968 -11.220 1.00 23.45 H new ATOM 0 HB1 ALA A 37 -9.435 -1.923 -9.019 1.00 24.04 H new ATOM 0 HB2 ALA A 37 -9.644 -3.689 -8.963 1.00 24.04 H new ATOM 0 HB3 ALA A 37 -8.165 -2.947 -8.307 1.00 24.04 H new ATOM 604 N LEU A 38 -6.147 -1.892 -10.053 1.00 11.23 N ATOM 605 CA LEU A 38 -5.207 -0.791 -10.118 1.00 74.33 C ATOM 606 C LEU A 38 -4.711 -0.552 -11.543 1.00 1.23 C ATOM 607 O LEU A 38 -4.765 0.569 -12.037 1.00 45.35 O ATOM 608 CB LEU A 38 -4.031 -1.022 -9.168 1.00 25.24 C ATOM 609 CG LEU A 38 -4.237 -0.528 -7.728 1.00 54.32 C ATOM 610 CD1 LEU A 38 -5.392 -1.254 -7.054 1.00 51.33 C ATOM 611 CD2 LEU A 38 -2.960 -0.699 -6.924 1.00 13.53 C ATOM 0 H LEU A 38 -5.839 -2.684 -9.489 1.00 11.23 H new ATOM 0 HA LEU A 38 -5.737 0.107 -9.800 1.00 74.33 H new ATOM 0 HB2 LEU A 38 -3.814 -2.090 -9.140 1.00 25.24 H new ATOM 0 HB3 LEU A 38 -3.151 -0.529 -9.580 1.00 25.24 H new ATOM 0 HG LEU A 38 -4.488 0.532 -7.769 1.00 54.32 H new ATOM 0 HD11 LEU A 38 -5.512 -0.882 -6.037 1.00 51.33 H new ATOM 0 HD12 LEU A 38 -6.310 -1.078 -7.615 1.00 51.33 H new ATOM 0 HD13 LEU A 38 -5.183 -2.323 -7.027 1.00 51.33 H new ATOM 0 HD21 LEU A 38 -3.121 -0.345 -5.906 1.00 13.53 H new ATOM 0 HD22 LEU A 38 -2.682 -1.753 -6.902 1.00 13.53 H new ATOM 0 HD23 LEU A 38 -2.159 -0.122 -7.386 1.00 13.53 H new ATOM 623 N THR A 39 -4.243 -1.588 -12.225 1.00 53.55 N ATOM 624 CA THR A 39 -3.649 -1.372 -13.534 1.00 51.52 C ATOM 625 C THR A 39 -4.727 -1.170 -14.598 1.00 10.52 C ATOM 626 O THR A 39 -4.449 -0.628 -15.668 1.00 11.35 O ATOM 627 CB THR A 39 -2.679 -2.506 -13.947 1.00 72.42 C ATOM 628 OG1 THR A 39 -1.601 -1.959 -14.719 1.00 20.21 O ATOM 629 CG2 THR A 39 -3.380 -3.580 -14.765 1.00 64.22 C ATOM 0 H THR A 39 -4.261 -2.557 -11.906 1.00 53.55 H new ATOM 0 HA THR A 39 -3.056 -0.461 -13.458 1.00 51.52 H new ATOM 0 HB THR A 39 -2.300 -2.966 -13.034 1.00 72.42 H new ATOM 0 HG1 THR A 39 -1.077 -2.688 -15.112 1.00 20.21 H new ATOM 0 HG21 THR A 39 -2.665 -4.357 -15.035 1.00 64.22 H new ATOM 0 HG22 THR A 39 -4.186 -4.018 -14.176 1.00 64.22 H new ATOM 0 HG23 THR A 39 -3.792 -3.136 -15.671 1.00 64.22 H new ATOM 637 N VAL A 40 -5.962 -1.585 -14.302 1.00 53.14 N ATOM 638 CA VAL A 40 -7.049 -1.400 -15.250 1.00 61.10 C ATOM 639 C VAL A 40 -7.474 0.065 -15.300 1.00 34.04 C ATOM 640 O VAL A 40 -7.976 0.534 -16.323 1.00 31.53 O ATOM 641 CB VAL A 40 -8.266 -2.307 -14.950 1.00 54.44 C ATOM 642 CG1 VAL A 40 -9.190 -1.702 -13.901 1.00 32.13 C ATOM 643 CG2 VAL A 40 -9.026 -2.614 -16.231 1.00 43.44 C ATOM 0 H VAL A 40 -6.225 -2.042 -13.429 1.00 53.14 H new ATOM 0 HA VAL A 40 -6.667 -1.696 -16.227 1.00 61.10 H new ATOM 0 HB VAL A 40 -7.884 -3.240 -14.535 1.00 54.44 H new ATOM 0 HG11 VAL A 40 -10.029 -2.375 -13.724 1.00 32.13 H new ATOM 0 HG12 VAL A 40 -8.639 -1.556 -12.972 1.00 32.13 H new ATOM 0 HG13 VAL A 40 -9.563 -0.741 -14.256 1.00 32.13 H new ATOM 0 HG21 VAL A 40 -9.879 -3.253 -16.004 1.00 43.44 H new ATOM 0 HG22 VAL A 40 -9.378 -1.684 -16.677 1.00 43.44 H new ATOM 0 HG23 VAL A 40 -8.366 -3.126 -16.932 1.00 43.44 H new ATOM 653 N VAL A 41 -7.282 0.793 -14.198 1.00 72.41 N ATOM 654 CA VAL A 41 -7.495 2.231 -14.236 1.00 14.30 C ATOM 655 C VAL A 41 -6.272 2.926 -14.845 1.00 3.44 C ATOM 656 O VAL A 41 -6.412 3.652 -15.832 1.00 42.11 O ATOM 657 CB VAL A 41 -7.866 2.837 -12.855 1.00 24.35 C ATOM 658 CG1 VAL A 41 -9.170 2.236 -12.357 1.00 23.15 C ATOM 659 CG2 VAL A 41 -6.767 2.643 -11.823 1.00 62.52 C ATOM 0 H VAL A 41 -6.988 0.420 -13.296 1.00 72.41 H new ATOM 0 HA VAL A 41 -8.362 2.409 -14.872 1.00 14.30 H new ATOM 0 HB VAL A 41 -7.988 3.911 -12.993 1.00 24.35 H new ATOM 0 HG11 VAL A 41 -9.422 2.667 -11.388 1.00 23.15 H new ATOM 0 HG12 VAL A 41 -9.966 2.453 -13.069 1.00 23.15 H new ATOM 0 HG13 VAL A 41 -9.058 1.156 -12.256 1.00 23.15 H new ATOM 0 HG21 VAL A 41 -7.076 3.084 -10.875 1.00 62.52 H new ATOM 0 HG22 VAL A 41 -6.582 1.578 -11.684 1.00 62.52 H new ATOM 0 HG23 VAL A 41 -5.854 3.128 -12.168 1.00 62.52 H new ATOM 669 N ASP A 42 -5.083 2.667 -14.276 1.00 42.41 N ATOM 670 CA ASP A 42 -3.810 3.138 -14.841 1.00 14.23 C ATOM 671 C ASP A 42 -2.666 2.966 -13.846 1.00 62.31 C ATOM 672 O ASP A 42 -2.517 3.758 -12.922 1.00 25.44 O ATOM 673 CB ASP A 42 -3.870 4.608 -15.265 1.00 22.41 C ATOM 674 CG ASP A 42 -2.645 5.028 -16.052 1.00 64.44 C ATOM 675 OD1 ASP A 42 -2.359 4.396 -17.093 1.00 30.23 O ATOM 676 OD2 ASP A 42 -1.987 6.010 -15.656 1.00 32.03 O ATOM 0 H ASP A 42 -4.978 2.128 -13.416 1.00 42.41 H new ATOM 0 HA ASP A 42 -3.629 2.525 -15.724 1.00 14.23 H new ATOM 0 HB2 ASP A 42 -4.762 4.774 -15.869 1.00 22.41 H new ATOM 0 HB3 ASP A 42 -3.963 5.236 -14.379 1.00 22.41 H new ATOM 681 N GLN A 43 -1.883 1.915 -14.037 1.00 33.55 N ATOM 682 CA GLN A 43 -0.664 1.697 -13.255 1.00 71.53 C ATOM 683 C GLN A 43 0.502 1.431 -14.191 1.00 23.04 C ATOM 684 O GLN A 43 1.572 2.027 -14.080 1.00 72.43 O ATOM 685 CB GLN A 43 -0.815 0.493 -12.324 1.00 15.52 C ATOM 686 CG GLN A 43 -1.840 0.659 -11.224 1.00 53.23 C ATOM 687 CD GLN A 43 -1.401 1.616 -10.141 1.00 61.43 C ATOM 688 OE1 GLN A 43 -1.700 2.802 -10.181 1.00 55.00 O ATOM 689 NE2 GLN A 43 -0.668 1.101 -9.173 1.00 63.24 N ATOM 0 H GLN A 43 -2.068 1.191 -14.732 1.00 33.55 H new ATOM 0 HA GLN A 43 -0.484 2.592 -12.659 1.00 71.53 H new ATOM 0 HB2 GLN A 43 -1.084 -0.378 -12.922 1.00 15.52 H new ATOM 0 HB3 GLN A 43 0.153 0.281 -11.869 1.00 15.52 H new ATOM 0 HG2 GLN A 43 -2.774 1.015 -11.658 1.00 53.23 H new ATOM 0 HG3 GLN A 43 -2.046 -0.314 -10.778 1.00 53.23 H new ATOM 0 HE21 GLN A 43 -0.442 0.106 -9.178 1.00 63.24 H new ATOM 0 HE22 GLN A 43 -0.327 1.697 -8.419 1.00 63.24 H new ATOM 698 N ASP A 44 0.273 0.504 -15.104 1.00 12.15 N ATOM 699 CA ASP A 44 1.289 0.077 -16.054 1.00 52.32 C ATOM 700 C ASP A 44 1.389 1.015 -17.270 1.00 21.02 C ATOM 701 O ASP A 44 2.495 1.418 -17.630 1.00 74.12 O ATOM 702 CB ASP A 44 0.998 -1.359 -16.499 1.00 3.35 C ATOM 703 CG ASP A 44 2.044 -1.906 -17.447 1.00 3.55 C ATOM 704 OD1 ASP A 44 3.050 -2.470 -16.966 1.00 73.44 O ATOM 705 OD2 ASP A 44 1.860 -1.787 -18.676 1.00 45.04 O ATOM 0 H ASP A 44 -0.621 0.025 -15.209 1.00 12.15 H new ATOM 0 HA ASP A 44 2.256 0.118 -15.552 1.00 52.32 H new ATOM 0 HB2 ASP A 44 0.940 -2.001 -15.620 1.00 3.35 H new ATOM 0 HB3 ASP A 44 0.022 -1.393 -16.984 1.00 3.35 H new ATOM 710 N PRO A 45 0.255 1.380 -17.929 1.00 53.20 N ATOM 711 CA PRO A 45 0.282 2.260 -19.114 1.00 10.02 C ATOM 712 C PRO A 45 0.994 3.592 -18.867 1.00 21.12 C ATOM 713 O PRO A 45 2.035 3.867 -19.468 1.00 61.05 O ATOM 714 CB PRO A 45 -1.197 2.501 -19.437 1.00 51.31 C ATOM 715 CG PRO A 45 -1.909 1.332 -18.859 1.00 52.11 C ATOM 716 CD PRO A 45 -1.125 0.956 -17.605 1.00 72.13 C ATOM 0 HA PRO A 45 0.840 1.795 -19.926 1.00 10.02 H new ATOM 0 HB2 PRO A 45 -1.550 3.435 -18.999 1.00 51.31 H new ATOM 0 HB3 PRO A 45 -1.360 2.571 -20.512 1.00 51.31 H new ATOM 0 HG2 PRO A 45 -2.942 1.582 -18.616 1.00 52.11 H new ATOM 0 HG3 PRO A 45 -1.940 0.503 -19.566 1.00 52.11 H new ATOM 0 HD2 PRO A 45 -1.507 1.469 -16.722 1.00 72.13 H new ATOM 0 HD3 PRO A 45 -1.180 -0.113 -17.401 1.00 72.13 H new ATOM 724 N GLY A 46 0.437 4.420 -17.992 1.00 41.41 N ATOM 725 CA GLY A 46 1.035 5.713 -17.712 1.00 72.02 C ATOM 726 C GLY A 46 1.805 5.717 -16.406 1.00 20.43 C ATOM 727 O GLY A 46 1.888 4.692 -15.729 1.00 5.14 O ATOM 0 H GLY A 46 -0.417 4.220 -17.471 1.00 41.41 H new ATOM 0 HA2 GLY A 46 1.705 5.986 -18.528 1.00 72.02 H new ATOM 0 HA3 GLY A 46 0.254 6.472 -17.674 1.00 72.02 H new ATOM 731 N GLN A 47 2.389 6.856 -16.058 1.00 54.01 N ATOM 732 CA GLN A 47 3.102 6.988 -14.796 1.00 54.25 C ATOM 733 C GLN A 47 2.185 7.619 -13.758 1.00 54.40 C ATOM 734 O GLN A 47 2.013 8.837 -13.711 1.00 60.34 O ATOM 735 CB GLN A 47 4.380 7.811 -14.965 1.00 1.11 C ATOM 736 CG GLN A 47 5.266 7.831 -13.728 1.00 1.50 C ATOM 737 CD GLN A 47 6.675 8.303 -14.033 1.00 22.33 C ATOM 738 OE1 GLN A 47 7.178 8.109 -15.138 1.00 75.22 O ATOM 739 NE2 GLN A 47 7.331 8.909 -13.056 1.00 61.30 N ATOM 0 H GLN A 47 2.383 7.700 -16.631 1.00 54.01 H new ATOM 0 HA GLN A 47 3.398 5.996 -14.456 1.00 54.25 H new ATOM 0 HB2 GLN A 47 4.951 7.410 -15.803 1.00 1.11 H new ATOM 0 HB3 GLN A 47 4.110 8.835 -15.224 1.00 1.11 H new ATOM 0 HG2 GLN A 47 4.822 8.484 -12.977 1.00 1.50 H new ATOM 0 HG3 GLN A 47 5.306 6.831 -13.297 1.00 1.50 H new ATOM 0 HE21 GLN A 47 6.881 9.053 -12.152 1.00 61.30 H new ATOM 0 HE22 GLN A 47 8.286 9.232 -13.207 1.00 61.30 H new ATOM 748 N VAL A 48 1.587 6.769 -12.951 1.00 53.24 N ATOM 749 CA VAL A 48 0.570 7.177 -11.997 1.00 64.42 C ATOM 750 C VAL A 48 1.181 7.669 -10.683 1.00 64.23 C ATOM 751 O VAL A 48 2.235 7.192 -10.257 1.00 61.12 O ATOM 752 CB VAL A 48 -0.380 5.992 -11.717 1.00 63.22 C ATOM 753 CG1 VAL A 48 0.404 4.795 -11.196 1.00 62.12 C ATOM 754 CG2 VAL A 48 -1.481 6.384 -10.742 1.00 62.42 C ATOM 0 H VAL A 48 1.791 5.770 -12.936 1.00 53.24 H new ATOM 0 HA VAL A 48 0.017 8.008 -12.435 1.00 64.42 H new ATOM 0 HB VAL A 48 -0.857 5.712 -12.656 1.00 63.22 H new ATOM 0 HG11 VAL A 48 -0.280 3.968 -11.003 1.00 62.12 H new ATOM 0 HG12 VAL A 48 1.141 4.491 -11.940 1.00 62.12 H new ATOM 0 HG13 VAL A 48 0.913 5.068 -10.271 1.00 62.12 H new ATOM 0 HG21 VAL A 48 -2.133 5.528 -10.566 1.00 62.42 H new ATOM 0 HG22 VAL A 48 -1.036 6.701 -9.799 1.00 62.42 H new ATOM 0 HG23 VAL A 48 -2.064 7.204 -11.162 1.00 62.42 H new ATOM 764 N GLU A 49 0.523 8.646 -10.064 1.00 1.45 N ATOM 765 CA GLU A 49 0.894 9.103 -8.735 1.00 2.41 C ATOM 766 C GLU A 49 -0.076 8.514 -7.715 1.00 53.11 C ATOM 767 O GLU A 49 -1.285 8.765 -7.771 1.00 54.41 O ATOM 768 CB GLU A 49 0.887 10.635 -8.664 1.00 40.15 C ATOM 769 CG GLU A 49 1.474 11.181 -7.373 1.00 1.00 C ATOM 770 CD GLU A 49 1.641 12.690 -7.386 1.00 61.44 C ATOM 771 OE1 GLU A 49 2.069 13.243 -8.421 1.00 21.22 O ATOM 772 OE2 GLU A 49 1.369 13.331 -6.348 1.00 11.04 O ATOM 0 H GLU A 49 -0.275 9.137 -10.468 1.00 1.45 H new ATOM 0 HA GLU A 49 1.906 8.766 -8.510 1.00 2.41 H new ATOM 0 HB2 GLU A 49 1.450 11.033 -9.508 1.00 40.15 H new ATOM 0 HB3 GLU A 49 -0.138 10.992 -8.768 1.00 40.15 H new ATOM 0 HG2 GLU A 49 0.829 10.900 -6.540 1.00 1.00 H new ATOM 0 HG3 GLU A 49 2.444 10.716 -7.196 1.00 1.00 H new ATOM 779 N TRP A 50 0.438 7.713 -6.800 1.00 72.22 N ATOM 780 CA TRP A 50 -0.422 7.012 -5.864 1.00 1.55 C ATOM 781 C TRP A 50 0.312 6.639 -4.593 1.00 51.11 C ATOM 782 O TRP A 50 1.513 6.892 -4.449 1.00 23.35 O ATOM 783 CB TRP A 50 -1.017 5.757 -6.512 1.00 74.31 C ATOM 784 CG TRP A 50 -0.028 4.683 -6.867 1.00 1.33 C ATOM 785 CD1 TRP A 50 0.931 4.730 -7.837 1.00 44.21 C ATOM 786 CD2 TRP A 50 0.070 3.384 -6.272 1.00 64.55 C ATOM 787 NE1 TRP A 50 1.625 3.546 -7.871 1.00 54.31 N ATOM 788 CE2 TRP A 50 1.118 2.704 -6.925 1.00 4.13 C ATOM 789 CE3 TRP A 50 -0.619 2.730 -5.248 1.00 73.32 C ATOM 790 CZ2 TRP A 50 1.488 1.408 -6.586 1.00 61.14 C ATOM 791 CZ3 TRP A 50 -0.249 1.441 -4.915 1.00 23.11 C ATOM 792 CH2 TRP A 50 0.797 0.791 -5.584 1.00 5.14 C ATOM 0 H TRP A 50 1.435 7.533 -6.685 1.00 72.22 H new ATOM 0 HA TRP A 50 -1.229 7.694 -5.597 1.00 1.55 H new ATOM 0 HB2 TRP A 50 -1.758 5.335 -5.833 1.00 74.31 H new ATOM 0 HB3 TRP A 50 -1.547 6.053 -7.418 1.00 74.31 H new ATOM 0 HD1 TRP A 50 1.117 5.575 -8.483 1.00 44.21 H new ATOM 0 HE1 TRP A 50 2.396 3.330 -8.503 1.00 54.31 H new ATOM 0 HE3 TRP A 50 -1.426 3.223 -4.726 1.00 73.32 H new ATOM 0 HZ2 TRP A 50 2.295 0.906 -7.098 1.00 61.14 H new ATOM 0 HZ3 TRP A 50 -0.775 0.925 -4.125 1.00 23.11 H new ATOM 0 HH2 TRP A 50 1.061 -0.217 -5.301 1.00 5.14 H new ATOM 803 N PHE A 51 -0.422 6.056 -3.661 1.00 61.20 N ATOM 804 CA PHE A 51 0.170 5.571 -2.437 1.00 32.43 C ATOM 805 C PHE A 51 -0.850 4.816 -1.600 1.00 2.31 C ATOM 806 O PHE A 51 -2.065 4.972 -1.767 1.00 23.43 O ATOM 807 CB PHE A 51 0.775 6.732 -1.639 1.00 34.44 C ATOM 808 CG PHE A 51 -0.217 7.637 -0.974 1.00 53.14 C ATOM 809 CD1 PHE A 51 -0.661 7.360 0.306 1.00 12.03 C ATOM 810 CD2 PHE A 51 -0.685 8.774 -1.611 1.00 2.21 C ATOM 811 CE1 PHE A 51 -1.550 8.189 0.940 1.00 44.52 C ATOM 812 CE2 PHE A 51 -1.577 9.615 -0.979 1.00 72.25 C ATOM 813 CZ PHE A 51 -2.012 9.322 0.301 1.00 41.41 C ATOM 0 H PHE A 51 -1.429 5.909 -3.733 1.00 61.20 H new ATOM 0 HA PHE A 51 0.969 4.877 -2.697 1.00 32.43 H new ATOM 0 HB2 PHE A 51 1.436 6.321 -0.876 1.00 34.44 H new ATOM 0 HB3 PHE A 51 1.394 7.328 -2.309 1.00 34.44 H new ATOM 0 HD1 PHE A 51 -0.302 6.477 0.814 1.00 12.03 H new ATOM 0 HD2 PHE A 51 -0.349 9.004 -2.611 1.00 2.21 H new ATOM 0 HE1 PHE A 51 -1.889 7.956 1.939 1.00 44.52 H new ATOM 0 HE2 PHE A 51 -1.935 10.501 -1.483 1.00 72.25 H new ATOM 0 HZ PHE A 51 -2.711 9.978 0.799 1.00 41.41 H new ATOM 823 N VAL A 52 -0.344 3.986 -0.707 1.00 54.02 N ATOM 824 CA VAL A 52 -1.184 3.254 0.222 1.00 41.55 C ATOM 825 C VAL A 52 -0.746 3.558 1.644 1.00 61.52 C ATOM 826 O VAL A 52 0.449 3.714 1.915 1.00 33.32 O ATOM 827 CB VAL A 52 -1.147 1.728 -0.041 1.00 72.34 C ATOM 828 CG1 VAL A 52 -1.648 1.411 -1.442 1.00 23.33 C ATOM 829 CG2 VAL A 52 0.251 1.165 0.160 1.00 54.12 C ATOM 0 H VAL A 52 0.654 3.801 -0.605 1.00 54.02 H new ATOM 0 HA VAL A 52 -2.214 3.578 0.076 1.00 41.55 H new ATOM 0 HB VAL A 52 -1.809 1.253 0.683 1.00 72.34 H new ATOM 0 HG11 VAL A 52 -1.614 0.334 -1.606 1.00 23.33 H new ATOM 0 HG12 VAL A 52 -2.674 1.762 -1.549 1.00 23.33 H new ATOM 0 HG13 VAL A 52 -1.015 1.910 -2.176 1.00 23.33 H new ATOM 0 HG21 VAL A 52 0.242 0.092 -0.032 1.00 54.12 H new ATOM 0 HG22 VAL A 52 0.942 1.652 -0.529 1.00 54.12 H new ATOM 0 HG23 VAL A 52 0.573 1.347 1.185 1.00 54.12 H new ATOM 839 N LEU A 53 -1.699 3.678 2.551 1.00 14.33 N ATOM 840 CA LEU A 53 -1.368 4.084 3.901 1.00 64.21 C ATOM 841 C LEU A 53 -2.171 3.329 4.954 1.00 4.30 C ATOM 842 O LEU A 53 -3.368 3.039 4.797 1.00 24.12 O ATOM 843 CB LEU A 53 -1.481 5.625 4.080 1.00 40.20 C ATOM 844 CG LEU A 53 -2.867 6.311 3.940 1.00 14.12 C ATOM 845 CD1 LEU A 53 -3.582 5.926 2.656 1.00 33.20 C ATOM 846 CD2 LEU A 53 -3.747 6.048 5.154 1.00 11.42 C ATOM 0 H LEU A 53 -2.689 3.504 2.381 1.00 14.33 H new ATOM 0 HA LEU A 53 -0.324 3.813 4.060 1.00 64.21 H new ATOM 0 HB2 LEU A 53 -1.095 5.868 5.070 1.00 40.20 H new ATOM 0 HB3 LEU A 53 -0.812 6.088 3.354 1.00 40.20 H new ATOM 0 HG LEU A 53 -2.674 7.383 3.888 1.00 14.12 H new ATOM 0 HD11 LEU A 53 -4.545 6.434 2.610 1.00 33.20 H new ATOM 0 HD12 LEU A 53 -2.975 6.220 1.800 1.00 33.20 H new ATOM 0 HD13 LEU A 53 -3.739 4.848 2.636 1.00 33.20 H new ATOM 0 HD21 LEU A 53 -4.709 6.543 5.021 1.00 11.42 H new ATOM 0 HD22 LEU A 53 -3.904 4.975 5.264 1.00 11.42 H new ATOM 0 HD23 LEU A 53 -3.259 6.437 6.048 1.00 11.42 H new ATOM 858 N ASN A 54 -1.461 2.977 6.010 1.00 71.45 N ATOM 859 CA ASN A 54 -2.058 2.412 7.206 1.00 70.41 C ATOM 860 C ASN A 54 -2.717 3.523 8.009 1.00 4.52 C ATOM 861 O ASN A 54 -2.029 4.383 8.554 1.00 55.12 O ATOM 862 CB ASN A 54 -0.989 1.759 8.072 1.00 45.13 C ATOM 863 CG ASN A 54 -0.436 0.456 7.533 1.00 32.23 C ATOM 864 OD1 ASN A 54 0.052 -0.357 8.306 1.00 55.41 O ATOM 865 ND2 ASN A 54 -0.497 0.245 6.231 1.00 10.00 N ATOM 0 H ASN A 54 -0.447 3.076 6.062 1.00 71.45 H new ATOM 0 HA ASN A 54 -2.794 1.664 6.911 1.00 70.41 H new ATOM 0 HB2 ASN A 54 -0.165 2.462 8.197 1.00 45.13 H new ATOM 0 HB3 ASN A 54 -1.406 1.577 9.062 1.00 45.13 H new ATOM 0 HD21 ASN A 54 -0.129 -0.621 5.837 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -0.912 0.948 5.619 1.00 10.00 H new ATOM 872 N ALA A 55 -4.033 3.521 8.077 1.00 53.32 N ATOM 873 CA ALA A 55 -4.735 4.596 8.764 1.00 25.32 C ATOM 874 C ALA A 55 -5.145 4.200 10.176 1.00 21.04 C ATOM 875 O ALA A 55 -4.899 4.941 11.129 1.00 42.35 O ATOM 876 CB ALA A 55 -5.951 5.037 7.962 1.00 51.12 C ATOM 0 H ALA A 55 -4.633 2.802 7.674 1.00 53.32 H new ATOM 0 HA ALA A 55 -4.042 5.433 8.848 1.00 25.32 H new ATOM 0 HB1 ALA A 55 -6.463 5.841 8.490 1.00 51.12 H new ATOM 0 HB2 ALA A 55 -5.631 5.393 6.982 1.00 51.12 H new ATOM 0 HB3 ALA A 55 -6.630 4.194 7.838 1.00 51.12 H new ATOM 882 N GLU A 56 -5.745 3.026 10.322 1.00 2.10 N ATOM 883 CA GLU A 56 -6.327 2.649 11.600 1.00 73.13 C ATOM 884 C GLU A 56 -5.903 1.242 12.024 1.00 71.45 C ATOM 885 O GLU A 56 -4.960 1.086 12.795 1.00 53.31 O ATOM 886 CB GLU A 56 -7.853 2.760 11.526 1.00 42.20 C ATOM 887 CG GLU A 56 -8.485 3.427 12.739 1.00 75.23 C ATOM 888 CD GLU A 56 -8.344 2.612 14.006 1.00 14.14 C ATOM 889 OE1 GLU A 56 -7.252 2.611 14.603 1.00 14.02 O ATOM 890 OE2 GLU A 56 -9.337 1.979 14.423 1.00 42.52 O ATOM 0 H GLU A 56 -5.840 2.329 9.583 1.00 2.10 H new ATOM 0 HA GLU A 56 -5.955 3.336 12.360 1.00 73.13 H new ATOM 0 HB2 GLU A 56 -8.123 3.323 10.633 1.00 42.20 H new ATOM 0 HB3 GLU A 56 -8.275 1.761 11.413 1.00 42.20 H new ATOM 0 HG2 GLU A 56 -8.025 4.404 12.890 1.00 75.23 H new ATOM 0 HG3 GLU A 56 -9.543 3.600 12.541 1.00 75.23 H new ATOM 897 N SER A 57 -6.581 0.222 11.517 1.00 42.04 N ATOM 898 CA SER A 57 -6.322 -1.138 11.958 1.00 54.32 C ATOM 899 C SER A 57 -5.343 -1.869 11.035 1.00 5.50 C ATOM 900 O SER A 57 -4.135 -1.853 11.277 1.00 52.35 O ATOM 901 CB SER A 57 -7.642 -1.905 12.069 1.00 61.44 C ATOM 902 OG SER A 57 -8.365 -1.859 10.846 1.00 30.23 O ATOM 0 H SER A 57 -7.308 0.310 10.807 1.00 42.04 H new ATOM 0 HA SER A 57 -5.850 -1.088 12.939 1.00 54.32 H new ATOM 0 HB2 SER A 57 -7.442 -2.942 12.338 1.00 61.44 H new ATOM 0 HB3 SER A 57 -8.247 -1.479 12.869 1.00 61.44 H new ATOM 0 HG SER A 57 -8.651 -2.764 10.601 1.00 30.23 H new ATOM 908 N ASN A 58 -5.885 -2.492 9.977 1.00 4.12 N ATOM 909 CA ASN A 58 -5.120 -3.324 9.032 1.00 43.30 C ATOM 910 C ASN A 58 -4.105 -4.224 9.742 1.00 13.03 C ATOM 911 O ASN A 58 -2.976 -4.395 9.287 1.00 50.15 O ATOM 912 CB ASN A 58 -4.444 -2.482 7.932 1.00 61.22 C ATOM 913 CG ASN A 58 -3.520 -1.393 8.448 1.00 34.40 C ATOM 914 OD1 ASN A 58 -3.939 -0.254 8.673 1.00 0.15 O ATOM 915 ND2 ASN A 58 -2.259 -1.728 8.626 1.00 34.11 N ATOM 0 H ASN A 58 -6.878 -2.432 9.750 1.00 4.12 H new ATOM 0 HA ASN A 58 -5.845 -3.976 8.544 1.00 43.30 H new ATOM 0 HB2 ASN A 58 -3.874 -3.147 7.283 1.00 61.22 H new ATOM 0 HB3 ASN A 58 -5.218 -2.023 7.317 1.00 61.22 H new ATOM 0 HD21 ASN A 58 -1.590 -1.035 8.961 1.00 34.11 H new ATOM 0 HD22 ASN A 58 -1.952 -2.680 8.429 1.00 34.11 H new ATOM 922 N VAL A 59 -4.542 -4.836 10.836 1.00 55.10 N ATOM 923 CA VAL A 59 -3.675 -5.692 11.634 1.00 2.13 C ATOM 924 C VAL A 59 -3.708 -7.125 11.125 1.00 40.11 C ATOM 925 O VAL A 59 -2.743 -7.614 10.557 1.00 61.12 O ATOM 926 CB VAL A 59 -4.093 -5.701 13.113 1.00 63.41 C ATOM 927 CG1 VAL A 59 -3.048 -6.411 13.960 1.00 54.12 C ATOM 928 CG2 VAL A 59 -4.338 -4.289 13.625 1.00 1.11 C ATOM 0 H VAL A 59 -5.495 -4.754 11.191 1.00 55.10 H new ATOM 0 HA VAL A 59 -2.668 -5.284 11.544 1.00 2.13 H new ATOM 0 HB VAL A 59 -5.031 -6.250 13.194 1.00 63.41 H new ATOM 0 HG11 VAL A 59 -3.362 -6.407 15.004 1.00 54.12 H new ATOM 0 HG12 VAL A 59 -2.940 -7.440 13.617 1.00 54.12 H new ATOM 0 HG13 VAL A 59 -2.092 -5.895 13.866 1.00 54.12 H new ATOM 0 HG21 VAL A 59 -4.632 -4.328 14.674 1.00 1.11 H new ATOM 0 HG22 VAL A 59 -3.425 -3.702 13.526 1.00 1.11 H new ATOM 0 HG23 VAL A 59 -5.133 -3.824 13.042 1.00 1.11 H new ATOM 938 N GLU A 60 -4.842 -7.791 11.307 1.00 4.14 N ATOM 939 CA GLU A 60 -4.944 -9.208 10.986 1.00 50.23 C ATOM 940 C GLU A 60 -5.612 -9.384 9.642 1.00 23.15 C ATOM 941 O GLU A 60 -5.998 -10.485 9.253 1.00 13.13 O ATOM 942 CB GLU A 60 -5.722 -9.952 12.065 1.00 54.51 C ATOM 943 CG GLU A 60 -5.072 -9.881 13.435 1.00 51.14 C ATOM 944 CD GLU A 60 -5.744 -10.788 14.439 1.00 63.55 C ATOM 945 OE1 GLU A 60 -6.826 -10.424 14.939 1.00 2.20 O ATOM 946 OE2 GLU A 60 -5.201 -11.875 14.719 1.00 33.05 O ATOM 0 H GLU A 60 -5.699 -7.375 11.673 1.00 4.14 H new ATOM 0 HA GLU A 60 -3.939 -9.627 10.942 1.00 50.23 H new ATOM 0 HB2 GLU A 60 -6.729 -9.539 12.127 1.00 54.51 H new ATOM 0 HB3 GLU A 60 -5.824 -10.997 11.773 1.00 54.51 H new ATOM 0 HG2 GLU A 60 -4.020 -10.154 13.350 1.00 51.14 H new ATOM 0 HG3 GLU A 60 -5.106 -8.854 13.798 1.00 51.14 H new ATOM 953 N VAL A 61 -5.727 -8.276 8.935 1.00 43.42 N ATOM 954 CA VAL A 61 -6.298 -8.266 7.605 1.00 0.20 C ATOM 955 C VAL A 61 -5.360 -8.988 6.645 1.00 54.34 C ATOM 956 O VAL A 61 -5.771 -9.526 5.616 1.00 50.45 O ATOM 957 CB VAL A 61 -6.538 -6.812 7.131 1.00 65.24 C ATOM 958 CG1 VAL A 61 -7.317 -6.037 8.185 1.00 71.55 C ATOM 959 CG2 VAL A 61 -5.223 -6.104 6.816 1.00 52.20 C ATOM 0 H VAL A 61 -5.427 -7.359 9.267 1.00 43.42 H new ATOM 0 HA VAL A 61 -7.258 -8.781 7.624 1.00 0.20 H new ATOM 0 HB VAL A 61 -7.124 -6.851 6.212 1.00 65.24 H new ATOM 0 HG11 VAL A 61 -7.479 -5.016 7.840 1.00 71.55 H new ATOM 0 HG12 VAL A 61 -8.279 -6.520 8.355 1.00 71.55 H new ATOM 0 HG13 VAL A 61 -6.751 -6.019 9.116 1.00 71.55 H new ATOM 0 HG21 VAL A 61 -5.428 -5.086 6.486 1.00 52.20 H new ATOM 0 HG22 VAL A 61 -4.601 -6.077 7.711 1.00 52.20 H new ATOM 0 HG23 VAL A 61 -4.700 -6.643 6.026 1.00 52.20 H new ATOM 969 N ASP A 62 -4.108 -9.049 7.052 1.00 12.02 N ATOM 970 CA ASP A 62 -3.041 -9.537 6.213 1.00 0.20 C ATOM 971 C ASP A 62 -2.451 -10.821 6.781 1.00 33.50 C ATOM 972 O ASP A 62 -2.237 -10.929 7.989 1.00 42.25 O ATOM 973 CB ASP A 62 -1.974 -8.446 6.109 1.00 74.33 C ATOM 974 CG ASP A 62 -0.701 -8.909 5.413 1.00 44.02 C ATOM 975 OD1 ASP A 62 -0.748 -9.926 4.694 1.00 1.22 O ATOM 976 OD2 ASP A 62 0.347 -8.255 5.579 1.00 12.20 O ATOM 0 H ASP A 62 -3.804 -8.758 7.981 1.00 12.02 H new ATOM 0 HA ASP A 62 -3.427 -9.770 5.221 1.00 0.20 H new ATOM 0 HB2 ASP A 62 -2.387 -7.595 5.567 1.00 74.33 H new ATOM 0 HB3 ASP A 62 -1.725 -8.095 7.111 1.00 74.33 H new ATOM 981 N LEU A 63 -2.220 -11.806 5.916 1.00 73.01 N ATOM 982 CA LEU A 63 -1.550 -13.032 6.330 1.00 73.44 C ATOM 983 C LEU A 63 -0.263 -13.236 5.530 1.00 33.44 C ATOM 984 O LEU A 63 0.722 -13.761 6.048 1.00 22.21 O ATOM 985 CB LEU A 63 -2.451 -14.266 6.169 1.00 60.24 C ATOM 986 CG LEU A 63 -3.801 -14.231 6.903 1.00 4.41 C ATOM 987 CD1 LEU A 63 -4.410 -15.622 6.941 1.00 1.55 C ATOM 988 CD2 LEU A 63 -3.663 -13.684 8.315 1.00 75.34 C ATOM 0 H LEU A 63 -2.485 -11.778 4.932 1.00 73.01 H new ATOM 0 HA LEU A 63 -1.313 -12.922 7.388 1.00 73.44 H new ATOM 0 HB2 LEU A 63 -2.644 -14.411 5.106 1.00 60.24 H new ATOM 0 HB3 LEU A 63 -1.898 -15.139 6.514 1.00 60.24 H new ATOM 0 HG LEU A 63 -4.459 -13.560 6.351 1.00 4.41 H new ATOM 0 HD11 LEU A 63 -5.366 -15.586 7.463 1.00 1.55 H new ATOM 0 HD12 LEU A 63 -4.566 -15.979 5.923 1.00 1.55 H new ATOM 0 HD13 LEU A 63 -3.736 -16.300 7.464 1.00 1.55 H new ATOM 0 HD21 LEU A 63 -4.640 -13.676 8.799 1.00 75.34 H new ATOM 0 HD22 LEU A 63 -2.981 -14.315 8.885 1.00 75.34 H new ATOM 0 HD23 LEU A 63 -3.270 -12.668 8.275 1.00 75.34 H new ATOM 1000 N THR A 64 -0.284 -12.847 4.260 1.00 73.43 N ATOM 1001 CA THR A 64 0.876 -13.007 3.381 1.00 65.54 C ATOM 1002 C THR A 64 0.801 -11.982 2.240 1.00 54.50 C ATOM 1003 O THR A 64 1.352 -12.162 1.137 1.00 42.33 O ATOM 1004 CB THR A 64 0.954 -14.447 2.815 1.00 72.23 C ATOM 1005 OG1 THR A 64 0.673 -15.394 3.859 1.00 3.14 O ATOM 1006 CG2 THR A 64 2.335 -14.746 2.246 1.00 3.12 C ATOM 0 H THR A 64 -1.093 -12.417 3.812 1.00 73.43 H new ATOM 0 HA THR A 64 1.781 -12.832 3.963 1.00 65.54 H new ATOM 0 HB THR A 64 0.218 -14.530 2.015 1.00 72.23 H new ATOM 0 HG1 THR A 64 -0.029 -16.010 3.562 1.00 3.14 H new ATOM 0 HG21 THR A 64 2.356 -15.764 1.857 1.00 3.12 H new ATOM 0 HG22 THR A 64 2.556 -14.046 1.441 1.00 3.12 H new ATOM 0 HG23 THR A 64 3.083 -14.643 3.032 1.00 3.12 H new ATOM 1014 N ALA A 65 0.135 -10.875 2.526 1.00 34.43 N ATOM 1015 CA ALA A 65 -0.020 -9.813 1.561 1.00 22.33 C ATOM 1016 C ALA A 65 1.275 -9.047 1.421 1.00 2.04 C ATOM 1017 O ALA A 65 1.485 -8.373 0.435 1.00 21.31 O ATOM 1018 CB ALA A 65 -1.163 -8.883 1.939 1.00 0.45 C ATOM 0 H ALA A 65 -0.308 -10.694 3.427 1.00 34.43 H new ATOM 0 HA ALA A 65 -0.269 -10.260 0.598 1.00 22.33 H new ATOM 0 HB1 ALA A 65 -1.253 -8.094 1.192 1.00 0.45 H new ATOM 0 HB2 ALA A 65 -2.093 -9.449 1.983 1.00 0.45 H new ATOM 0 HB3 ALA A 65 -0.963 -8.438 2.914 1.00 0.45 H new ATOM 1024 N LEU A 66 2.166 -9.143 2.391 1.00 32.01 N ATOM 1025 CA LEU A 66 3.487 -8.576 2.181 1.00 33.12 C ATOM 1026 C LEU A 66 4.168 -9.273 1.015 1.00 41.51 C ATOM 1027 O LEU A 66 4.879 -8.651 0.242 1.00 32.33 O ATOM 1028 CB LEU A 66 4.382 -8.562 3.443 1.00 14.24 C ATOM 1029 CG LEU A 66 4.735 -9.875 4.185 1.00 61.51 C ATOM 1030 CD1 LEU A 66 3.495 -10.610 4.676 1.00 13.03 C ATOM 1031 CD2 LEU A 66 5.607 -10.800 3.346 1.00 75.11 C ATOM 0 H LEU A 66 2.012 -9.588 3.296 1.00 32.01 H new ATOM 0 HA LEU A 66 3.340 -7.523 1.939 1.00 33.12 H new ATOM 0 HB2 LEU A 66 5.324 -8.091 3.161 1.00 14.24 H new ATOM 0 HB3 LEU A 66 3.902 -7.905 4.168 1.00 14.24 H new ATOM 0 HG LEU A 66 5.315 -9.576 5.058 1.00 61.51 H new ATOM 0 HD11 LEU A 66 3.793 -11.524 5.190 1.00 13.03 H new ATOM 0 HD12 LEU A 66 2.942 -9.971 5.364 1.00 13.03 H new ATOM 0 HD13 LEU A 66 2.861 -10.862 3.826 1.00 13.03 H new ATOM 0 HD21 LEU A 66 5.826 -11.706 3.912 1.00 75.11 H new ATOM 0 HD22 LEU A 66 5.081 -11.063 2.429 1.00 75.11 H new ATOM 0 HD23 LEU A 66 6.540 -10.294 3.097 1.00 75.11 H new ATOM 1043 N ASP A 67 3.901 -10.556 0.856 1.00 34.12 N ATOM 1044 CA ASP A 67 4.452 -11.289 -0.262 1.00 72.25 C ATOM 1045 C ASP A 67 3.851 -10.758 -1.551 1.00 23.54 C ATOM 1046 O ASP A 67 4.504 -10.024 -2.299 1.00 4.50 O ATOM 1047 CB ASP A 67 4.177 -12.787 -0.114 1.00 2.11 C ATOM 1048 CG ASP A 67 4.743 -13.608 -1.257 1.00 40.23 C ATOM 1049 OD1 ASP A 67 5.980 -13.664 -1.398 1.00 62.00 O ATOM 1050 OD2 ASP A 67 3.950 -14.208 -2.013 1.00 43.22 O ATOM 0 H ASP A 67 3.312 -11.105 1.482 1.00 34.12 H new ATOM 0 HA ASP A 67 5.533 -11.151 -0.286 1.00 72.25 H new ATOM 0 HB2 ASP A 67 4.604 -13.138 0.825 1.00 2.11 H new ATOM 0 HB3 ASP A 67 3.101 -12.949 -0.055 1.00 2.11 H new ATOM 1055 N ALA A 68 2.578 -11.063 -1.765 1.00 55.41 N ATOM 1056 CA ALA A 68 1.910 -10.702 -3.015 1.00 33.11 C ATOM 1057 C ALA A 68 1.779 -9.185 -3.181 1.00 60.51 C ATOM 1058 O ALA A 68 2.164 -8.612 -4.201 1.00 12.35 O ATOM 1059 CB ALA A 68 0.539 -11.359 -3.086 1.00 11.33 C ATOM 0 H ALA A 68 1.987 -11.557 -1.096 1.00 55.41 H new ATOM 0 HA ALA A 68 2.530 -11.067 -3.834 1.00 33.11 H new ATOM 0 HB1 ALA A 68 0.051 -11.083 -4.021 1.00 11.33 H new ATOM 0 HB2 ALA A 68 0.652 -12.442 -3.042 1.00 11.33 H new ATOM 0 HB3 ALA A 68 -0.069 -11.023 -2.246 1.00 11.33 H new ATOM 1065 N LEU A 69 1.272 -8.535 -2.157 1.00 21.22 N ATOM 1066 CA LEU A 69 0.903 -7.134 -2.247 1.00 54.43 C ATOM 1067 C LEU A 69 2.108 -6.196 -2.084 1.00 1.05 C ATOM 1068 O LEU A 69 2.108 -5.120 -2.676 1.00 75.11 O ATOM 1069 CB LEU A 69 -0.207 -6.828 -1.224 1.00 35.34 C ATOM 1070 CG LEU A 69 -0.613 -5.361 -1.063 1.00 61.15 C ATOM 1071 CD1 LEU A 69 -2.088 -5.268 -0.721 1.00 13.33 C ATOM 1072 CD2 LEU A 69 0.208 -4.698 0.035 1.00 41.42 C ATOM 0 H LEU A 69 1.104 -8.956 -1.243 1.00 21.22 H new ATOM 0 HA LEU A 69 0.520 -6.946 -3.250 1.00 54.43 H new ATOM 0 HB2 LEU A 69 -1.093 -7.397 -1.505 1.00 35.34 H new ATOM 0 HB3 LEU A 69 0.116 -7.200 -0.251 1.00 35.34 H new ATOM 0 HG LEU A 69 -0.425 -4.844 -2.004 1.00 61.15 H new ATOM 0 HD11 LEU A 69 -2.370 -4.221 -0.608 1.00 13.33 H new ATOM 0 HD12 LEU A 69 -2.676 -5.718 -1.521 1.00 13.33 H new ATOM 0 HD13 LEU A 69 -2.279 -5.798 0.212 1.00 13.33 H new ATOM 0 HD21 LEU A 69 -0.094 -3.655 0.136 1.00 41.42 H new ATOM 0 HD22 LEU A 69 0.040 -5.217 0.979 1.00 41.42 H new ATOM 0 HD23 LEU A 69 1.266 -4.746 -0.222 1.00 41.42 H new ATOM 1084 N ASP A 70 3.142 -6.569 -1.318 1.00 22.42 N ATOM 1085 CA ASP A 70 4.281 -5.656 -1.170 1.00 62.43 C ATOM 1086 C ASP A 70 5.201 -5.761 -2.363 1.00 2.14 C ATOM 1087 O ASP A 70 5.828 -4.776 -2.742 1.00 71.21 O ATOM 1088 CB ASP A 70 5.089 -5.882 0.101 1.00 10.22 C ATOM 1089 CG ASP A 70 5.993 -4.702 0.414 1.00 0.10 C ATOM 1090 OD1 ASP A 70 5.520 -3.756 1.075 1.00 24.12 O ATOM 1091 OD2 ASP A 70 7.170 -4.705 -0.003 1.00 44.52 O ATOM 0 H ASP A 70 3.215 -7.453 -0.814 1.00 22.42 H new ATOM 0 HA ASP A 70 3.849 -4.657 -1.103 1.00 62.43 H new ATOM 0 HB2 ASP A 70 4.411 -6.052 0.937 1.00 10.22 H new ATOM 0 HB3 ASP A 70 5.693 -6.783 -0.008 1.00 10.22 H new ATOM 1096 N GLN A 71 5.292 -6.945 -2.971 1.00 13.40 N ATOM 1097 CA GLN A 71 6.026 -7.043 -4.218 1.00 32.24 C ATOM 1098 C GLN A 71 5.334 -6.159 -5.246 1.00 15.20 C ATOM 1099 O GLN A 71 5.984 -5.488 -6.026 1.00 2.33 O ATOM 1100 CB GLN A 71 6.153 -8.486 -4.721 1.00 2.12 C ATOM 1101 CG GLN A 71 4.878 -9.065 -5.299 1.00 60.10 C ATOM 1102 CD GLN A 71 5.009 -10.532 -5.629 1.00 41.23 C ATOM 1103 OE1 GLN A 71 5.351 -10.912 -6.749 1.00 70.03 O ATOM 1104 NE2 GLN A 71 4.764 -11.359 -4.636 1.00 45.51 N ATOM 0 H GLN A 71 4.881 -7.815 -2.631 1.00 13.40 H new ATOM 0 HA GLN A 71 7.048 -6.702 -4.051 1.00 32.24 H new ATOM 0 HB2 GLN A 71 6.932 -8.525 -5.482 1.00 2.12 H new ATOM 0 HB3 GLN A 71 6.482 -9.117 -3.896 1.00 2.12 H new ATOM 0 HG2 GLN A 71 4.064 -8.927 -4.587 1.00 60.10 H new ATOM 0 HG3 GLN A 71 4.609 -8.515 -6.201 1.00 60.10 H new ATOM 0 HE21 GLN A 71 4.483 -10.994 -3.726 1.00 45.51 H new ATOM 0 HE22 GLN A 71 4.855 -12.365 -4.776 1.00 45.51 H new ATOM 1113 N LEU A 72 4.002 -6.132 -5.211 1.00 50.11 N ATOM 1114 CA LEU A 72 3.253 -5.174 -6.012 1.00 53.15 C ATOM 1115 C LEU A 72 3.587 -3.740 -5.583 1.00 10.55 C ATOM 1116 O LEU A 72 3.861 -2.885 -6.423 1.00 23.51 O ATOM 1117 CB LEU A 72 1.743 -5.426 -5.903 1.00 22.44 C ATOM 1118 CG LEU A 72 1.121 -6.263 -7.031 1.00 22.34 C ATOM 1119 CD1 LEU A 72 1.248 -5.542 -8.363 1.00 12.11 C ATOM 1120 CD2 LEU A 72 1.765 -7.639 -7.117 1.00 71.30 C ATOM 0 H LEU A 72 3.428 -6.756 -4.643 1.00 50.11 H new ATOM 0 HA LEU A 72 3.544 -5.305 -7.054 1.00 53.15 H new ATOM 0 HB2 LEU A 72 1.545 -5.925 -4.954 1.00 22.44 H new ATOM 0 HB3 LEU A 72 1.235 -4.462 -5.869 1.00 22.44 H new ATOM 0 HG LEU A 72 0.064 -6.396 -6.801 1.00 22.34 H new ATOM 0 HD11 LEU A 72 0.802 -6.150 -9.150 1.00 12.11 H new ATOM 0 HD12 LEU A 72 0.732 -4.583 -8.309 1.00 12.11 H new ATOM 0 HD13 LEU A 72 2.301 -5.375 -8.587 1.00 12.11 H new ATOM 0 HD21 LEU A 72 1.303 -8.207 -7.925 1.00 71.30 H new ATOM 0 HD22 LEU A 72 2.832 -7.530 -7.314 1.00 71.30 H new ATOM 0 HD23 LEU A 72 1.622 -8.167 -6.174 1.00 71.30 H new ATOM 1132 N ARG A 73 3.591 -3.493 -4.273 1.00 0.11 N ATOM 1133 CA ARG A 73 3.874 -2.158 -3.749 1.00 23.23 C ATOM 1134 C ARG A 73 5.245 -1.658 -4.198 1.00 4.50 C ATOM 1135 O ARG A 73 5.330 -0.733 -4.992 1.00 53.34 O ATOM 1136 CB ARG A 73 3.777 -2.107 -2.212 1.00 52.43 C ATOM 1137 CG ARG A 73 2.357 -2.236 -1.677 1.00 10.41 C ATOM 1138 CD ARG A 73 2.234 -1.762 -0.227 1.00 34.21 C ATOM 1139 NE ARG A 73 3.028 -2.557 0.714 1.00 25.40 N ATOM 1140 CZ ARG A 73 2.704 -2.761 1.999 1.00 4.03 C ATOM 1141 NH1 ARG A 73 1.595 -2.247 2.520 1.00 22.21 N ATOM 1142 NH2 ARG A 73 3.496 -3.486 2.767 1.00 22.22 N ATOM 0 H ARG A 73 3.402 -4.196 -3.559 1.00 0.11 H new ATOM 0 HA ARG A 73 3.109 -1.499 -4.160 1.00 23.23 H new ATOM 0 HB2 ARG A 73 4.386 -2.908 -1.793 1.00 52.43 H new ATOM 0 HB3 ARG A 73 4.202 -1.166 -1.862 1.00 52.43 H new ATOM 0 HG2 ARG A 73 1.681 -1.655 -2.305 1.00 10.41 H new ATOM 0 HG3 ARG A 73 2.039 -3.277 -1.744 1.00 10.41 H new ATOM 0 HD2 ARG A 73 2.547 -0.720 -0.165 1.00 34.21 H new ATOM 0 HD3 ARG A 73 1.186 -1.798 0.072 1.00 34.21 H new ATOM 0 HE ARG A 73 3.887 -2.985 0.367 1.00 25.40 H new ATOM 0 HH11 ARG A 73 0.972 -1.685 1.940 1.00 22.21 H new ATOM 0 HH12 ARG A 73 1.367 -2.414 3.500 1.00 22.21 H new ATOM 0 HH21 ARG A 73 4.351 -3.888 2.382 1.00 22.22 H new ATOM 0 HH22 ARG A 73 3.253 -3.644 3.745 1.00 22.22 H new ATOM 1156 N THR A 74 6.308 -2.301 -3.726 1.00 33.22 N ATOM 1157 CA THR A 74 7.662 -1.796 -3.927 1.00 1.42 C ATOM 1158 C THR A 74 8.100 -1.879 -5.396 1.00 24.21 C ATOM 1159 O THR A 74 8.751 -0.966 -5.901 1.00 32.14 O ATOM 1160 CB THR A 74 8.686 -2.535 -3.030 1.00 53.42 C ATOM 1161 OG1 THR A 74 9.881 -1.761 -2.913 1.00 25.12 O ATOM 1162 CG2 THR A 74 9.038 -3.910 -3.590 1.00 14.01 C ATOM 0 H THR A 74 6.258 -3.174 -3.201 1.00 33.22 H new ATOM 0 HA THR A 74 7.640 -0.745 -3.639 1.00 1.42 H new ATOM 0 HB THR A 74 8.226 -2.668 -2.051 1.00 53.42 H new ATOM 0 HG1 THR A 74 9.662 -0.871 -2.566 1.00 25.12 H new ATOM 0 HG21 THR A 74 9.759 -4.397 -2.933 1.00 14.01 H new ATOM 0 HG22 THR A 74 8.136 -4.519 -3.654 1.00 14.01 H new ATOM 0 HG23 THR A 74 9.471 -3.798 -4.584 1.00 14.01 H new ATOM 1170 N GLU A 75 7.717 -2.947 -6.091 1.00 31.22 N ATOM 1171 CA GLU A 75 8.175 -3.160 -7.459 1.00 22.23 C ATOM 1172 C GLU A 75 7.560 -2.124 -8.391 1.00 35.53 C ATOM 1173 O GLU A 75 8.207 -1.643 -9.317 1.00 64.24 O ATOM 1174 CB GLU A 75 7.832 -4.580 -7.912 1.00 50.35 C ATOM 1175 CG GLU A 75 8.249 -4.914 -9.337 1.00 50.22 C ATOM 1176 CD GLU A 75 9.753 -4.936 -9.542 1.00 25.15 C ATOM 1177 OE1 GLU A 75 10.504 -4.722 -8.567 1.00 51.34 O ATOM 1178 OE2 GLU A 75 10.190 -5.175 -10.689 1.00 23.45 O ATOM 0 H GLU A 75 7.096 -3.672 -5.732 1.00 31.22 H new ATOM 0 HA GLU A 75 9.258 -3.042 -7.494 1.00 22.23 H new ATOM 0 HB2 GLU A 75 8.309 -5.288 -7.234 1.00 50.35 H new ATOM 0 HB3 GLU A 75 6.756 -4.726 -7.820 1.00 50.35 H new ATOM 0 HG2 GLU A 75 7.840 -5.887 -9.607 1.00 50.22 H new ATOM 0 HG3 GLU A 75 7.809 -4.183 -10.016 1.00 50.22 H new ATOM 1185 N LEU A 76 6.317 -1.758 -8.127 1.00 62.15 N ATOM 1186 CA LEU A 76 5.654 -0.740 -8.929 1.00 72.52 C ATOM 1187 C LEU A 76 5.950 0.660 -8.378 1.00 50.24 C ATOM 1188 O LEU A 76 5.736 1.663 -9.058 1.00 34.33 O ATOM 1189 CB LEU A 76 4.141 -0.997 -8.985 1.00 42.44 C ATOM 1190 CG LEU A 76 3.684 -2.159 -9.891 1.00 12.53 C ATOM 1191 CD1 LEU A 76 4.170 -1.953 -11.316 1.00 72.34 C ATOM 1192 CD2 LEU A 76 4.150 -3.513 -9.361 1.00 23.51 C ATOM 0 H LEU A 76 5.750 -2.145 -7.372 1.00 62.15 H new ATOM 0 HA LEU A 76 6.045 -0.794 -9.945 1.00 72.52 H new ATOM 0 HB2 LEU A 76 3.788 -1.192 -7.972 1.00 42.44 H new ATOM 0 HB3 LEU A 76 3.650 -0.084 -9.323 1.00 42.44 H new ATOM 0 HG LEU A 76 2.594 -2.161 -9.887 1.00 12.53 H new ATOM 0 HD11 LEU A 76 3.837 -2.784 -11.938 1.00 72.34 H new ATOM 0 HD12 LEU A 76 3.764 -1.021 -11.708 1.00 72.34 H new ATOM 0 HD13 LEU A 76 5.259 -1.907 -11.326 1.00 72.34 H new ATOM 0 HD21 LEU A 76 3.807 -4.303 -10.029 1.00 23.51 H new ATOM 0 HD22 LEU A 76 5.239 -3.529 -9.310 1.00 23.51 H new ATOM 0 HD23 LEU A 76 3.738 -3.675 -8.365 1.00 23.51 H new ATOM 1204 N LEU A 77 6.461 0.713 -7.153 1.00 34.21 N ATOM 1205 CA LEU A 77 6.770 1.979 -6.492 1.00 31.35 C ATOM 1206 C LEU A 77 8.158 2.469 -6.894 1.00 45.24 C ATOM 1207 O LEU A 77 8.350 3.646 -7.199 1.00 64.13 O ATOM 1208 CB LEU A 77 6.687 1.804 -4.968 1.00 34.40 C ATOM 1209 CG LEU A 77 6.639 3.085 -4.128 1.00 14.21 C ATOM 1210 CD1 LEU A 77 6.098 2.775 -2.742 1.00 32.43 C ATOM 1211 CD2 LEU A 77 8.017 3.725 -4.012 1.00 4.01 C ATOM 0 H LEU A 77 6.672 -0.113 -6.592 1.00 34.21 H new ATOM 0 HA LEU A 77 6.040 2.726 -6.805 1.00 31.35 H new ATOM 0 HB2 LEU A 77 5.798 1.215 -4.741 1.00 34.40 H new ATOM 0 HB3 LEU A 77 7.548 1.218 -4.646 1.00 34.40 H new ATOM 0 HG LEU A 77 5.978 3.792 -4.630 1.00 14.21 H new ATOM 0 HD11 LEU A 77 6.067 3.690 -2.151 1.00 32.43 H new ATOM 0 HD12 LEU A 77 5.092 2.364 -2.828 1.00 32.43 H new ATOM 0 HD13 LEU A 77 6.747 2.049 -2.252 1.00 32.43 H new ATOM 0 HD21 LEU A 77 7.948 4.631 -3.410 1.00 4.01 H new ATOM 0 HD22 LEU A 77 8.704 3.025 -3.537 1.00 4.01 H new ATOM 0 HD23 LEU A 77 8.386 3.977 -5.006 1.00 4.01 H new ATOM 1223 N ARG A 78 9.105 1.541 -6.916 1.00 71.13 N ATOM 1224 CA ARG A 78 10.519 1.839 -7.149 1.00 43.32 C ATOM 1225 C ARG A 78 10.752 2.687 -8.404 1.00 54.23 C ATOM 1226 O ARG A 78 11.749 3.405 -8.498 1.00 41.15 O ATOM 1227 CB ARG A 78 11.294 0.524 -7.270 1.00 35.31 C ATOM 1228 CG ARG A 78 10.854 -0.321 -8.459 1.00 11.33 C ATOM 1229 CD ARG A 78 11.450 -1.715 -8.426 1.00 52.11 C ATOM 1230 NE ARG A 78 12.904 -1.697 -8.539 1.00 50.02 N ATOM 1231 CZ ARG A 78 13.659 -2.791 -8.546 1.00 32.00 C ATOM 1232 NH1 ARG A 78 13.096 -3.996 -8.491 1.00 14.43 N ATOM 1233 NH2 ARG A 78 14.979 -2.682 -8.623 1.00 52.33 N ATOM 0 H ARG A 78 8.915 0.549 -6.772 1.00 71.13 H new ATOM 0 HA ARG A 78 10.873 2.424 -6.300 1.00 43.32 H new ATOM 0 HB2 ARG A 78 12.358 0.743 -7.361 1.00 35.31 H new ATOM 0 HB3 ARG A 78 11.165 -0.053 -6.354 1.00 35.31 H new ATOM 0 HG2 ARG A 78 9.766 -0.393 -8.468 1.00 11.33 H new ATOM 0 HG3 ARG A 78 11.148 0.176 -9.384 1.00 11.33 H new ATOM 0 HD2 ARG A 78 11.166 -2.207 -7.496 1.00 52.11 H new ATOM 0 HD3 ARG A 78 11.032 -2.306 -9.241 1.00 52.11 H new ATOM 0 HE ARG A 78 13.369 -0.792 -8.617 1.00 50.02 H new ATOM 0 HH11 ARG A 78 12.081 -4.083 -8.443 1.00 14.43 H new ATOM 0 HH12 ARG A 78 13.680 -4.832 -8.497 1.00 14.43 H new ATOM 0 HH21 ARG A 78 15.412 -1.760 -8.677 1.00 52.33 H new ATOM 0 HH22 ARG A 78 15.560 -3.520 -8.629 1.00 52.33 H new ATOM 1247 N ARG A 79 9.835 2.613 -9.356 1.00 73.55 N ATOM 1248 CA ARG A 79 10.026 3.259 -10.647 1.00 64.43 C ATOM 1249 C ARG A 79 8.867 4.195 -10.979 1.00 63.33 C ATOM 1250 O ARG A 79 8.600 4.488 -12.147 1.00 22.43 O ATOM 1251 CB ARG A 79 10.188 2.185 -11.724 1.00 51.54 C ATOM 1252 CG ARG A 79 8.992 1.254 -11.851 1.00 75.22 C ATOM 1253 CD ARG A 79 9.426 -0.133 -12.289 1.00 42.11 C ATOM 1254 NE ARG A 79 8.291 -0.985 -12.633 1.00 41.11 N ATOM 1255 CZ ARG A 79 8.284 -2.304 -12.475 1.00 4.43 C ATOM 1256 NH1 ARG A 79 9.361 -2.920 -12.000 1.00 52.33 N ATOM 1257 NH2 ARG A 79 7.208 -2.998 -12.813 1.00 43.30 N ATOM 0 H ARG A 79 8.951 2.113 -9.260 1.00 73.55 H new ATOM 0 HA ARG A 79 10.927 3.871 -10.607 1.00 64.43 H new ATOM 0 HB2 ARG A 79 10.361 2.671 -12.684 1.00 51.54 H new ATOM 0 HB3 ARG A 79 11.075 1.592 -11.502 1.00 51.54 H new ATOM 0 HG2 ARG A 79 8.472 1.191 -10.895 1.00 75.22 H new ATOM 0 HG3 ARG A 79 8.284 1.662 -12.572 1.00 75.22 H new ATOM 0 HD2 ARG A 79 10.089 -0.049 -13.150 1.00 42.11 H new ATOM 0 HD3 ARG A 79 10.000 -0.601 -11.489 1.00 42.11 H new ATOM 0 HE ARG A 79 7.456 -0.542 -13.016 1.00 41.11 H new ATOM 0 HH11 ARG A 79 10.192 -2.380 -11.757 1.00 52.33 H new ATOM 0 HH12 ARG A 79 9.357 -3.933 -11.878 1.00 52.33 H new ATOM 0 HH21 ARG A 79 6.391 -2.520 -13.192 1.00 43.30 H new ATOM 0 HH22 ARG A 79 7.196 -4.011 -12.694 1.00 43.30 H new ATOM 1271 N GLY A 80 8.195 4.682 -9.947 1.00 63.20 N ATOM 1272 CA GLY A 80 7.087 5.593 -10.151 1.00 51.42 C ATOM 1273 C GLY A 80 6.955 6.584 -9.017 1.00 74.24 C ATOM 1274 O GLY A 80 7.699 6.516 -8.042 1.00 22.42 O ATOM 0 H GLY A 80 8.397 4.463 -8.971 1.00 63.20 H new ATOM 0 HA2 GLY A 80 7.227 6.131 -11.089 1.00 51.42 H new ATOM 0 HA3 GLY A 80 6.162 5.024 -10.245 1.00 51.42 H new ATOM 1278 N ILE A 81 6.019 7.512 -9.142 1.00 44.33 N ATOM 1279 CA ILE A 81 5.778 8.479 -8.086 1.00 3.04 C ATOM 1280 C ILE A 81 4.690 7.952 -7.147 1.00 31.11 C ATOM 1281 O ILE A 81 3.490 8.127 -7.369 1.00 3.22 O ATOM 1282 CB ILE A 81 5.427 9.883 -8.652 1.00 5.44 C ATOM 1283 CG1 ILE A 81 5.046 10.850 -7.524 1.00 11.30 C ATOM 1284 CG2 ILE A 81 4.322 9.802 -9.700 1.00 74.21 C ATOM 1285 CD1 ILE A 81 6.179 11.144 -6.562 1.00 13.02 C ATOM 0 H ILE A 81 5.418 7.615 -9.960 1.00 44.33 H new ATOM 0 HA ILE A 81 6.698 8.606 -7.515 1.00 3.04 H new ATOM 0 HB ILE A 81 6.318 10.272 -9.144 1.00 5.44 H new ATOM 0 HG12 ILE A 81 4.701 11.787 -7.962 1.00 11.30 H new ATOM 0 HG13 ILE A 81 4.208 10.431 -6.967 1.00 11.30 H new ATOM 0 HG21 ILE A 81 4.102 10.802 -10.074 1.00 74.21 H new ATOM 0 HG22 ILE A 81 4.649 9.169 -10.525 1.00 74.21 H new ATOM 0 HG23 ILE A 81 3.425 9.377 -9.250 1.00 74.21 H new ATOM 0 HD11 ILE A 81 5.833 11.835 -5.793 1.00 13.02 H new ATOM 0 HD12 ILE A 81 6.510 10.216 -6.095 1.00 13.02 H new ATOM 0 HD13 ILE A 81 7.010 11.593 -7.105 1.00 13.02 H new ATOM 1297 N VAL A 82 5.139 7.258 -6.115 1.00 64.33 N ATOM 1298 CA VAL A 82 4.251 6.560 -5.203 1.00 51.41 C ATOM 1299 C VAL A 82 4.963 6.279 -3.883 1.00 32.23 C ATOM 1300 O VAL A 82 6.189 6.208 -3.844 1.00 4.24 O ATOM 1301 CB VAL A 82 3.743 5.239 -5.848 1.00 62.44 C ATOM 1302 CG1 VAL A 82 4.843 4.581 -6.662 1.00 71.00 C ATOM 1303 CG2 VAL A 82 3.205 4.264 -4.806 1.00 75.30 C ATOM 0 H VAL A 82 6.129 7.163 -5.887 1.00 64.33 H new ATOM 0 HA VAL A 82 3.388 7.194 -4.999 1.00 51.41 H new ATOM 0 HB VAL A 82 2.919 5.503 -6.511 1.00 62.44 H new ATOM 0 HG11 VAL A 82 4.466 3.659 -7.104 1.00 71.00 H new ATOM 0 HG12 VAL A 82 5.165 5.258 -7.453 1.00 71.00 H new ATOM 0 HG13 VAL A 82 5.689 4.353 -6.013 1.00 71.00 H new ATOM 0 HG21 VAL A 82 2.861 3.356 -5.301 1.00 75.30 H new ATOM 0 HG22 VAL A 82 3.996 4.015 -4.098 1.00 75.30 H new ATOM 0 HG23 VAL A 82 2.373 4.724 -4.273 1.00 75.30 H new ATOM 1313 N PHE A 83 4.197 6.175 -2.804 1.00 23.51 N ATOM 1314 CA PHE A 83 4.761 5.816 -1.502 1.00 1.11 C ATOM 1315 C PHE A 83 3.850 4.840 -0.757 1.00 51.05 C ATOM 1316 O PHE A 83 2.733 4.559 -1.195 1.00 71.45 O ATOM 1317 CB PHE A 83 5.003 7.065 -0.648 1.00 53.50 C ATOM 1318 CG PHE A 83 6.153 7.912 -1.117 1.00 42.21 C ATOM 1319 CD1 PHE A 83 7.459 7.556 -0.813 1.00 14.24 C ATOM 1320 CD2 PHE A 83 5.930 9.062 -1.856 1.00 11.31 C ATOM 1321 CE1 PHE A 83 8.520 8.331 -1.239 1.00 52.23 C ATOM 1322 CE2 PHE A 83 6.989 9.841 -2.285 1.00 25.43 C ATOM 1323 CZ PHE A 83 8.285 9.475 -1.975 1.00 51.53 C ATOM 0 H PHE A 83 3.189 6.332 -2.801 1.00 23.51 H new ATOM 0 HA PHE A 83 5.718 5.326 -1.682 1.00 1.11 H new ATOM 0 HB2 PHE A 83 4.097 7.671 -0.643 1.00 53.50 H new ATOM 0 HB3 PHE A 83 5.187 6.759 0.382 1.00 53.50 H new ATOM 0 HD1 PHE A 83 7.648 6.663 -0.237 1.00 14.24 H new ATOM 0 HD2 PHE A 83 4.919 9.353 -2.100 1.00 11.31 H new ATOM 0 HE1 PHE A 83 9.532 8.042 -0.997 1.00 52.23 H new ATOM 0 HE2 PHE A 83 6.803 10.735 -2.862 1.00 25.43 H new ATOM 0 HZ PHE A 83 9.113 10.083 -2.308 1.00 51.53 H new ATOM 1333 N ALA A 84 4.329 4.309 0.363 1.00 0.04 N ATOM 1334 CA ALA A 84 3.523 3.414 1.183 1.00 32.43 C ATOM 1335 C ALA A 84 4.005 3.402 2.629 1.00 64.04 C ATOM 1336 O ALA A 84 5.161 3.074 2.912 1.00 55.54 O ATOM 1337 CB ALA A 84 3.532 2.013 0.605 1.00 10.25 C ATOM 0 H ALA A 84 5.268 4.482 0.722 1.00 0.04 H new ATOM 0 HA ALA A 84 2.499 3.786 1.178 1.00 32.43 H new ATOM 0 HB1 ALA A 84 2.925 1.358 1.230 1.00 10.25 H new ATOM 0 HB2 ALA A 84 3.122 2.033 -0.405 1.00 10.25 H new ATOM 0 HB3 ALA A 84 4.555 1.639 0.574 1.00 10.25 H new ATOM 1343 N MET A 85 3.105 3.745 3.537 1.00 23.15 N ATOM 1344 CA MET A 85 3.453 3.876 4.946 1.00 12.01 C ATOM 1345 C MET A 85 2.608 2.978 5.828 1.00 33.51 C ATOM 1346 O MET A 85 1.463 2.656 5.501 1.00 53.31 O ATOM 1347 CB MET A 85 3.281 5.318 5.412 1.00 72.12 C ATOM 1348 CG MET A 85 1.968 5.943 4.976 1.00 65.52 C ATOM 1349 SD MET A 85 1.206 6.951 6.256 1.00 23.11 S ATOM 1350 CE MET A 85 0.588 5.659 7.328 1.00 62.03 C ATOM 0 H MET A 85 2.126 3.938 3.325 1.00 23.15 H new ATOM 0 HA MET A 85 4.496 3.574 5.037 1.00 12.01 H new ATOM 0 HB2 MET A 85 3.346 5.350 6.500 1.00 72.12 H new ATOM 0 HB3 MET A 85 4.105 5.917 5.025 1.00 72.12 H new ATOM 0 HG2 MET A 85 2.141 6.558 4.093 1.00 65.52 H new ATOM 0 HG3 MET A 85 1.276 5.153 4.684 1.00 65.52 H new ATOM 0 HE1 MET A 85 -0.257 6.037 7.903 1.00 62.03 H new ATOM 0 HE2 MET A 85 0.267 4.809 6.726 1.00 62.03 H new ATOM 0 HE3 MET A 85 1.378 5.343 8.009 1.00 62.03 H new ATOM 1360 N ALA A 86 3.177 2.608 6.964 1.00 41.30 N ATOM 1361 CA ALA A 86 2.492 1.787 7.935 1.00 61.14 C ATOM 1362 C ALA A 86 2.376 2.498 9.280 1.00 53.15 C ATOM 1363 O ALA A 86 3.017 3.516 9.522 1.00 62.41 O ATOM 1364 CB ALA A 86 3.208 0.458 8.097 1.00 2.14 C ATOM 0 H ALA A 86 4.125 2.871 7.234 1.00 41.30 H new ATOM 0 HA ALA A 86 1.482 1.602 7.568 1.00 61.14 H new ATOM 0 HB1 ALA A 86 2.682 -0.152 8.832 1.00 2.14 H new ATOM 0 HB2 ALA A 86 3.228 -0.064 7.140 1.00 2.14 H new ATOM 0 HB3 ALA A 86 4.229 0.634 8.436 1.00 2.14 H new ATOM 1370 N ARG A 87 1.534 1.957 10.138 1.00 55.20 N ATOM 1371 CA ARG A 87 1.361 2.455 11.499 1.00 4.33 C ATOM 1372 C ARG A 87 1.376 1.270 12.441 1.00 32.15 C ATOM 1373 O ARG A 87 0.948 1.354 13.589 1.00 65.51 O ATOM 1374 CB ARG A 87 0.023 3.177 11.641 1.00 25.41 C ATOM 1375 CG ARG A 87 -1.164 2.289 11.299 1.00 31.31 C ATOM 1376 CD ARG A 87 -2.419 2.711 12.033 1.00 55.55 C ATOM 1377 NE ARG A 87 -2.254 2.591 13.478 1.00 1.10 N ATOM 1378 CZ ARG A 87 -3.003 3.224 14.376 1.00 52.43 C ATOM 1379 NH1 ARG A 87 -3.980 4.039 13.990 1.00 52.01 N ATOM 1380 NH2 ARG A 87 -2.772 3.030 15.665 1.00 61.25 N ATOM 0 H ARG A 87 0.945 1.155 9.915 1.00 55.20 H new ATOM 0 HA ARG A 87 2.164 3.154 11.732 1.00 4.33 H new ATOM 0 HB2 ARG A 87 -0.083 3.539 12.664 1.00 25.41 H new ATOM 0 HB3 ARG A 87 0.016 4.052 10.991 1.00 25.41 H new ATOM 0 HG2 ARG A 87 -1.344 2.323 10.224 1.00 31.31 H new ATOM 0 HG3 ARG A 87 -0.927 1.255 11.550 1.00 31.31 H new ATOM 0 HD2 ARG A 87 -2.663 3.742 11.777 1.00 55.55 H new ATOM 0 HD3 ARG A 87 -3.257 2.095 11.708 1.00 55.55 H new ATOM 0 HE ARG A 87 -1.514 1.980 13.823 1.00 1.10 H new ATOM 0 HH11 ARG A 87 -4.161 4.184 12.997 1.00 52.01 H new ATOM 0 HH12 ARG A 87 -4.549 4.520 14.687 1.00 52.01 H new ATOM 0 HH21 ARG A 87 -2.026 2.400 15.960 1.00 61.25 H new ATOM 0 HH22 ARG A 87 -3.340 3.510 16.363 1.00 61.25 H new ATOM 1394 N VAL A 88 1.885 0.169 11.926 1.00 53.43 N ATOM 1395 CA VAL A 88 1.685 -1.128 12.536 1.00 64.31 C ATOM 1396 C VAL A 88 2.995 -1.807 12.884 1.00 64.42 C ATOM 1397 O VAL A 88 4.077 -1.290 12.612 1.00 41.42 O ATOM 1398 CB VAL A 88 0.903 -2.040 11.574 1.00 11.14 C ATOM 1399 CG1 VAL A 88 -0.502 -1.502 11.360 1.00 41.02 C ATOM 1400 CG2 VAL A 88 1.640 -2.147 10.241 1.00 43.30 C ATOM 0 H VAL A 88 2.447 0.149 11.075 1.00 53.43 H new ATOM 0 HA VAL A 88 1.127 -0.965 13.458 1.00 64.31 H new ATOM 0 HB VAL A 88 0.828 -3.034 12.015 1.00 11.14 H new ATOM 0 HG11 VAL A 88 -1.043 -2.158 10.677 1.00 41.02 H new ATOM 0 HG12 VAL A 88 -1.026 -1.462 12.315 1.00 41.02 H new ATOM 0 HG13 VAL A 88 -0.447 -0.500 10.934 1.00 41.02 H new ATOM 0 HG21 VAL A 88 1.080 -2.794 9.566 1.00 43.30 H new ATOM 0 HG22 VAL A 88 1.735 -1.156 9.797 1.00 43.30 H new ATOM 0 HG23 VAL A 88 2.632 -2.567 10.406 1.00 43.30 H new ATOM 1410 N LYS A 89 2.869 -2.977 13.483 1.00 2.24 N ATOM 1411 CA LYS A 89 4.004 -3.833 13.779 1.00 13.31 C ATOM 1412 C LYS A 89 4.127 -4.934 12.728 1.00 51.10 C ATOM 1413 O LYS A 89 5.049 -5.745 12.772 1.00 34.23 O ATOM 1414 CB LYS A 89 3.831 -4.461 15.164 1.00 51.15 C ATOM 1415 CG LYS A 89 2.373 -4.715 15.526 1.00 64.40 C ATOM 1416 CD LYS A 89 2.224 -5.745 16.630 1.00 43.34 C ATOM 1417 CE LYS A 89 2.397 -7.153 16.093 1.00 4.42 C ATOM 1418 NZ LYS A 89 2.229 -8.178 17.153 1.00 63.12 N ATOM 0 H LYS A 89 1.972 -3.362 13.779 1.00 2.24 H new ATOM 0 HA LYS A 89 4.911 -3.229 13.765 1.00 13.31 H new ATOM 0 HB2 LYS A 89 4.378 -5.403 15.200 1.00 51.15 H new ATOM 0 HB3 LYS A 89 4.276 -3.805 15.912 1.00 51.15 H new ATOM 0 HG2 LYS A 89 1.911 -3.779 15.841 1.00 64.40 H new ATOM 0 HG3 LYS A 89 1.835 -5.054 14.641 1.00 64.40 H new ATOM 0 HD2 LYS A 89 2.963 -5.557 17.409 1.00 43.34 H new ATOM 0 HD3 LYS A 89 1.242 -5.647 17.092 1.00 43.34 H new ATOM 0 HE2 LYS A 89 1.671 -7.330 15.300 1.00 4.42 H new ATOM 0 HE3 LYS A 89 3.387 -7.252 15.647 1.00 4.42 H new ATOM 0 HZ1 LYS A 89 2.355 -9.125 16.743 1.00 63.12 H new ATOM 0 HZ2 LYS A 89 2.938 -8.026 17.898 1.00 63.12 H new ATOM 0 HZ3 LYS A 89 1.276 -8.102 17.562 1.00 63.12 H new ATOM 1432 N GLN A 90 3.196 -4.954 11.783 1.00 11.41 N ATOM 1433 CA GLN A 90 3.143 -6.021 10.791 1.00 61.11 C ATOM 1434 C GLN A 90 3.905 -5.636 9.528 1.00 54.44 C ATOM 1435 O GLN A 90 4.989 -6.172 9.270 1.00 74.33 O ATOM 1436 CB GLN A 90 1.693 -6.346 10.434 1.00 40.42 C ATOM 1437 CG GLN A 90 1.542 -7.600 9.588 1.00 34.41 C ATOM 1438 CD GLN A 90 0.125 -7.821 9.111 1.00 31.42 C ATOM 1439 OE1 GLN A 90 -0.337 -8.954 9.011 1.00 42.31 O ATOM 1440 NE2 GLN A 90 -0.565 -6.743 8.771 1.00 63.20 N ATOM 0 H GLN A 90 2.469 -4.246 11.682 1.00 11.41 H new ATOM 0 HA GLN A 90 3.614 -6.902 11.227 1.00 61.11 H new ATOM 0 HB2 GLN A 90 1.119 -6.466 11.353 1.00 40.42 H new ATOM 0 HB3 GLN A 90 1.261 -5.501 9.897 1.00 40.42 H new ATOM 0 HG2 GLN A 90 2.204 -7.532 8.725 1.00 34.41 H new ATOM 0 HG3 GLN A 90 1.864 -8.465 10.169 1.00 34.41 H new ATOM 0 HE21 GLN A 90 -0.147 -5.818 8.869 1.00 63.20 H new ATOM 0 HE22 GLN A 90 -1.515 -6.838 8.412 1.00 63.20 H new ATOM 1449 N ASP A 91 3.332 -4.690 8.770 1.00 14.21 N ATOM 1450 CA ASP A 91 3.862 -4.268 7.466 1.00 65.20 C ATOM 1451 C ASP A 91 5.378 -4.182 7.455 1.00 14.45 C ATOM 1452 O ASP A 91 6.038 -5.049 6.896 1.00 2.13 O ATOM 1453 CB ASP A 91 3.289 -2.909 7.045 1.00 4.42 C ATOM 1454 CG ASP A 91 1.888 -2.993 6.469 1.00 72.02 C ATOM 1455 OD1 ASP A 91 0.941 -3.223 7.250 1.00 41.42 O ATOM 1456 OD2 ASP A 91 1.735 -2.798 5.238 1.00 74.04 O ATOM 0 H ASP A 91 2.484 -4.194 9.046 1.00 14.21 H new ATOM 0 HA ASP A 91 3.553 -5.036 6.757 1.00 65.20 H new ATOM 0 HB2 ASP A 91 3.278 -2.245 7.909 1.00 4.42 H new ATOM 0 HB3 ASP A 91 3.951 -2.458 6.305 1.00 4.42 H new ATOM 1461 N LEU A 92 5.927 -3.161 8.107 1.00 2.21 N ATOM 1462 CA LEU A 92 7.357 -2.873 8.014 1.00 2.21 C ATOM 1463 C LEU A 92 8.222 -4.117 8.236 1.00 73.23 C ATOM 1464 O LEU A 92 9.181 -4.335 7.508 1.00 4.21 O ATOM 1465 CB LEU A 92 7.769 -1.695 8.942 1.00 50.21 C ATOM 1466 CG LEU A 92 7.735 -1.887 10.478 1.00 2.32 C ATOM 1467 CD1 LEU A 92 6.438 -2.518 10.958 1.00 21.15 C ATOM 1468 CD2 LEU A 92 8.950 -2.663 10.974 1.00 12.04 C ATOM 0 H LEU A 92 5.405 -2.520 8.705 1.00 2.21 H new ATOM 0 HA LEU A 92 7.546 -2.552 6.989 1.00 2.21 H new ATOM 0 HB2 LEU A 92 8.784 -1.406 8.671 1.00 50.21 H new ATOM 0 HB3 LEU A 92 7.123 -0.850 8.704 1.00 50.21 H new ATOM 0 HG LEU A 92 7.778 -0.890 10.916 1.00 2.32 H new ATOM 0 HD11 LEU A 92 6.467 -2.630 12.042 1.00 21.15 H new ATOM 0 HD12 LEU A 92 5.599 -1.880 10.682 1.00 21.15 H new ATOM 0 HD13 LEU A 92 6.317 -3.497 10.495 1.00 21.15 H new ATOM 0 HD21 LEU A 92 8.891 -2.778 12.056 1.00 12.04 H new ATOM 0 HD22 LEU A 92 8.970 -3.647 10.505 1.00 12.04 H new ATOM 0 HD23 LEU A 92 9.859 -2.120 10.716 1.00 12.04 H new ATOM 1480 N ARG A 93 7.851 -4.973 9.181 1.00 61.04 N ATOM 1481 CA ARG A 93 8.673 -6.134 9.484 1.00 45.02 C ATOM 1482 C ARG A 93 8.662 -7.124 8.327 1.00 31.10 C ATOM 1483 O ARG A 93 9.662 -7.291 7.630 1.00 74.53 O ATOM 1484 CB ARG A 93 8.212 -6.839 10.762 1.00 52.11 C ATOM 1485 CG ARG A 93 8.383 -6.015 12.024 1.00 35.12 C ATOM 1486 CD ARG A 93 8.274 -6.882 13.267 1.00 43.32 C ATOM 1487 NE ARG A 93 7.039 -7.663 13.287 1.00 14.22 N ATOM 1488 CZ ARG A 93 6.941 -8.885 13.809 1.00 63.53 C ATOM 1489 NH1 ARG A 93 8.000 -9.464 14.368 1.00 73.21 N ATOM 1490 NH2 ARG A 93 5.786 -9.534 13.759 1.00 41.25 N ATOM 0 H ARG A 93 7.002 -4.887 9.740 1.00 61.04 H new ATOM 0 HA ARG A 93 9.689 -5.771 9.639 1.00 45.02 H new ATOM 0 HB2 ARG A 93 7.161 -7.107 10.656 1.00 52.11 H new ATOM 0 HB3 ARG A 93 8.769 -7.770 10.871 1.00 52.11 H new ATOM 0 HG2 ARG A 93 9.353 -5.518 12.008 1.00 35.12 H new ATOM 0 HG3 ARG A 93 7.625 -5.233 12.056 1.00 35.12 H new ATOM 0 HD2 ARG A 93 9.129 -7.556 13.314 1.00 43.32 H new ATOM 0 HD3 ARG A 93 8.317 -6.250 14.154 1.00 43.32 H new ATOM 0 HE ARG A 93 6.202 -7.248 12.877 1.00 14.22 H new ATOM 0 HH11 ARG A 93 8.893 -8.972 14.399 1.00 73.21 H new ATOM 0 HH12 ARG A 93 7.919 -10.400 14.766 1.00 73.21 H new ATOM 0 HH21 ARG A 93 4.974 -9.098 13.321 1.00 41.25 H new ATOM 0 HH22 ARG A 93 5.709 -10.470 14.158 1.00 41.25 H new ATOM 1504 N GLU A 94 7.517 -7.744 8.095 1.00 64.44 N ATOM 1505 CA GLU A 94 7.439 -8.842 7.143 1.00 34.34 C ATOM 1506 C GLU A 94 7.372 -8.358 5.695 1.00 51.24 C ATOM 1507 O GLU A 94 7.835 -9.054 4.791 1.00 0.53 O ATOM 1508 CB GLU A 94 6.281 -9.784 7.486 1.00 10.22 C ATOM 1509 CG GLU A 94 4.963 -9.095 7.803 1.00 71.33 C ATOM 1510 CD GLU A 94 4.052 -9.984 8.623 1.00 21.23 C ATOM 1511 OE1 GLU A 94 4.178 -9.978 9.867 1.00 65.31 O ATOM 1512 OE2 GLU A 94 3.229 -10.710 8.034 1.00 0.24 O ATOM 0 H GLU A 94 6.634 -7.509 8.548 1.00 64.44 H new ATOM 0 HA GLU A 94 8.366 -9.409 7.229 1.00 34.34 H new ATOM 0 HB2 GLU A 94 6.126 -10.464 6.648 1.00 10.22 H new ATOM 0 HB3 GLU A 94 6.570 -10.394 8.342 1.00 10.22 H new ATOM 0 HG2 GLU A 94 5.157 -8.171 8.347 1.00 71.33 H new ATOM 0 HG3 GLU A 94 4.463 -8.819 6.874 1.00 71.33 H new ATOM 1519 N SER A 95 6.835 -7.166 5.462 1.00 2.31 N ATOM 1520 CA SER A 95 6.842 -6.600 4.119 1.00 73.13 C ATOM 1521 C SER A 95 8.274 -6.318 3.694 1.00 41.31 C ATOM 1522 O SER A 95 8.663 -6.590 2.560 1.00 62.41 O ATOM 1523 CB SER A 95 6.008 -5.322 4.043 1.00 1.11 C ATOM 1524 OG SER A 95 4.672 -5.554 4.454 1.00 52.54 O ATOM 0 H SER A 95 6.396 -6.581 6.173 1.00 2.31 H new ATOM 0 HA SER A 95 6.394 -7.326 3.441 1.00 73.13 H new ATOM 0 HB2 SER A 95 6.457 -4.554 4.674 1.00 1.11 H new ATOM 0 HB3 SER A 95 6.016 -4.940 3.022 1.00 1.11 H new ATOM 0 HG SER A 95 4.131 -5.809 3.678 1.00 52.54 H new ATOM 1530 N LEU A 96 9.074 -5.802 4.619 1.00 55.32 N ATOM 1531 CA LEU A 96 10.473 -5.563 4.335 1.00 55.14 C ATOM 1532 C LEU A 96 11.258 -6.871 4.297 1.00 13.01 C ATOM 1533 O LEU A 96 12.344 -6.928 3.724 1.00 73.02 O ATOM 1534 CB LEU A 96 11.069 -4.608 5.355 1.00 73.53 C ATOM 1535 CG LEU A 96 10.970 -3.114 5.002 1.00 42.25 C ATOM 1536 CD1 LEU A 96 11.562 -2.850 3.626 1.00 20.44 C ATOM 1537 CD2 LEU A 96 9.531 -2.617 5.052 1.00 62.31 C ATOM 0 H LEU A 96 8.777 -5.545 5.561 1.00 55.32 H new ATOM 0 HA LEU A 96 10.543 -5.103 3.349 1.00 55.14 H new ATOM 0 HB2 LEU A 96 10.573 -4.771 6.312 1.00 73.53 H new ATOM 0 HB3 LEU A 96 12.120 -4.862 5.493 1.00 73.53 H new ATOM 0 HG LEU A 96 11.542 -2.565 5.750 1.00 42.25 H new ATOM 0 HD11 LEU A 96 11.483 -1.788 3.394 1.00 20.44 H new ATOM 0 HD12 LEU A 96 12.611 -3.146 3.618 1.00 20.44 H new ATOM 0 HD13 LEU A 96 11.017 -3.426 2.879 1.00 20.44 H new ATOM 0 HD21 LEU A 96 9.503 -1.558 4.797 1.00 62.31 H new ATOM 0 HD22 LEU A 96 8.927 -3.178 4.339 1.00 62.31 H new ATOM 0 HD23 LEU A 96 9.132 -2.759 6.056 1.00 62.31 H new ATOM 1549 N ARG A 97 10.712 -7.916 4.910 1.00 13.53 N ATOM 1550 CA ARG A 97 11.287 -9.252 4.774 1.00 44.02 C ATOM 1551 C ARG A 97 11.120 -9.738 3.339 1.00 25.34 C ATOM 1552 O ARG A 97 11.956 -10.471 2.813 1.00 54.34 O ATOM 1553 CB ARG A 97 10.629 -10.249 5.735 1.00 73.22 C ATOM 1554 CG ARG A 97 10.880 -9.958 7.205 1.00 62.45 C ATOM 1555 CD ARG A 97 12.360 -9.954 7.530 1.00 15.43 C ATOM 1556 NE ARG A 97 12.612 -9.674 8.941 1.00 22.42 N ATOM 1557 CZ ARG A 97 13.565 -10.264 9.659 1.00 23.15 C ATOM 1558 NH1 ARG A 97 14.340 -11.191 9.107 1.00 70.10 N ATOM 1559 NH2 ARG A 97 13.743 -9.925 10.927 1.00 63.00 N ATOM 0 H ARG A 97 9.881 -7.867 5.500 1.00 13.53 H new ATOM 0 HA ARG A 97 12.346 -9.190 5.026 1.00 44.02 H new ATOM 0 HB2 ARG A 97 9.554 -10.253 5.556 1.00 73.22 H new ATOM 0 HB3 ARG A 97 10.994 -11.250 5.507 1.00 73.22 H new ATOM 0 HG2 ARG A 97 10.448 -8.991 7.464 1.00 62.45 H new ATOM 0 HG3 ARG A 97 10.375 -10.707 7.816 1.00 62.45 H new ATOM 0 HD2 ARG A 97 12.790 -10.921 7.270 1.00 15.43 H new ATOM 0 HD3 ARG A 97 12.863 -9.206 6.917 1.00 15.43 H new ATOM 0 HE ARG A 97 12.021 -8.984 9.405 1.00 22.42 H new ATOM 0 HH11 ARG A 97 14.206 -11.453 8.130 1.00 70.10 H new ATOM 0 HH12 ARG A 97 15.069 -11.641 9.660 1.00 70.10 H new ATOM 0 HH21 ARG A 97 13.150 -9.212 11.352 1.00 63.00 H new ATOM 0 HH22 ARG A 97 14.473 -10.377 11.478 1.00 63.00 H new ATOM 1573 N ALA A 98 10.030 -9.321 2.710 1.00 63.22 N ATOM 1574 CA ALA A 98 9.778 -9.654 1.317 1.00 31.22 C ATOM 1575 C ALA A 98 10.613 -8.777 0.388 1.00 23.31 C ATOM 1576 O ALA A 98 11.293 -9.279 -0.504 1.00 44.04 O ATOM 1577 CB ALA A 98 8.298 -9.514 0.994 1.00 64.31 C ATOM 0 H ALA A 98 9.305 -8.750 3.145 1.00 63.22 H new ATOM 0 HA ALA A 98 10.071 -10.692 1.158 1.00 31.22 H new ATOM 0 HB1 ALA A 98 8.128 -9.767 -0.053 1.00 64.31 H new ATOM 0 HB2 ALA A 98 7.722 -10.188 1.628 1.00 64.31 H new ATOM 0 HB3 ALA A 98 7.982 -8.487 1.175 1.00 64.31 H new ATOM 1583 N ALA A 99 10.559 -7.468 0.607 1.00 12.40 N ATOM 1584 CA ALA A 99 11.307 -6.522 -0.212 1.00 41.43 C ATOM 1585 C ALA A 99 12.811 -6.639 0.037 1.00 70.40 C ATOM 1586 O ALA A 99 13.543 -7.169 -0.801 1.00 45.12 O ATOM 1587 CB ALA A 99 10.832 -5.100 0.055 1.00 21.32 C ATOM 0 H ALA A 99 10.004 -7.037 1.346 1.00 12.40 H new ATOM 0 HA ALA A 99 11.123 -6.764 -1.259 1.00 41.43 H new ATOM 0 HB1 ALA A 99 11.399 -4.405 -0.564 1.00 21.32 H new ATOM 0 HB2 ALA A 99 9.772 -5.019 -0.187 1.00 21.32 H new ATOM 0 HB3 ALA A 99 10.984 -4.857 1.107 1.00 21.32 H new ATOM 1593 N SER A 100 13.256 -6.142 1.194 1.00 55.31 N ATOM 1594 CA SER A 100 14.677 -6.155 1.568 1.00 61.20 C ATOM 1595 C SER A 100 15.534 -5.407 0.545 1.00 24.23 C ATOM 1596 O SER A 100 16.738 -5.629 0.447 1.00 63.01 O ATOM 1597 CB SER A 100 15.173 -7.596 1.711 1.00 24.12 C ATOM 1598 OG SER A 100 14.413 -8.310 2.673 1.00 74.53 O ATOM 0 H SER A 100 12.647 -5.721 1.896 1.00 55.31 H new ATOM 0 HA SER A 100 14.773 -5.643 2.526 1.00 61.20 H new ATOM 0 HB2 SER A 100 15.111 -8.102 0.747 1.00 24.12 H new ATOM 0 HB3 SER A 100 16.223 -7.594 2.003 1.00 24.12 H new ATOM 0 HG SER A 100 13.748 -7.712 3.074 1.00 74.53 H new ATOM 1604 N LEU A 101 14.914 -4.488 -0.180 1.00 12.43 N ATOM 1605 CA LEU A 101 15.571 -3.816 -1.291 1.00 42.02 C ATOM 1606 C LEU A 101 15.915 -2.370 -0.929 1.00 50.04 C ATOM 1607 O LEU A 101 16.157 -1.537 -1.804 1.00 62.24 O ATOM 1608 CB LEU A 101 14.639 -3.855 -2.504 1.00 32.04 C ATOM 1609 CG LEU A 101 15.328 -3.756 -3.862 1.00 12.32 C ATOM 1610 CD1 LEU A 101 16.231 -4.961 -4.078 1.00 1.23 C ATOM 1611 CD2 LEU A 101 14.295 -3.654 -4.971 1.00 41.23 C ATOM 0 H LEU A 101 13.952 -4.190 -0.018 1.00 12.43 H new ATOM 0 HA LEU A 101 16.505 -4.328 -1.523 1.00 42.02 H new ATOM 0 HB2 LEU A 101 14.068 -4.783 -2.472 1.00 32.04 H new ATOM 0 HB3 LEU A 101 13.924 -3.037 -2.418 1.00 32.04 H new ATOM 0 HG LEU A 101 15.941 -2.855 -3.882 1.00 12.32 H new ATOM 0 HD11 LEU A 101 16.718 -4.881 -5.050 1.00 1.23 H new ATOM 0 HD12 LEU A 101 16.988 -4.994 -3.294 1.00 1.23 H new ATOM 0 HD13 LEU A 101 15.635 -5.873 -4.045 1.00 1.23 H new ATOM 0 HD21 LEU A 101 14.801 -3.584 -5.934 1.00 41.23 H new ATOM 0 HD22 LEU A 101 13.659 -4.539 -4.959 1.00 41.23 H new ATOM 0 HD23 LEU A 101 13.683 -2.765 -4.817 1.00 41.23 H new ATOM 1623 N LEU A 102 15.983 -2.097 0.372 1.00 14.43 N ATOM 1624 CA LEU A 102 16.108 -0.731 0.889 1.00 63.42 C ATOM 1625 C LEU A 102 17.414 -0.058 0.491 1.00 43.23 C ATOM 1626 O LEU A 102 17.549 1.154 0.623 1.00 14.02 O ATOM 1627 CB LEU A 102 15.984 -0.726 2.411 1.00 61.32 C ATOM 1628 CG LEU A 102 14.613 -1.115 2.944 1.00 0.14 C ATOM 1629 CD1 LEU A 102 14.611 -1.095 4.465 1.00 74.50 C ATOM 1630 CD2 LEU A 102 13.545 -0.180 2.389 1.00 64.21 C ATOM 0 H LEU A 102 15.953 -2.813 1.098 1.00 14.43 H new ATOM 0 HA LEU A 102 15.296 -0.160 0.440 1.00 63.42 H new ATOM 0 HB2 LEU A 102 16.725 -1.410 2.823 1.00 61.32 H new ATOM 0 HB3 LEU A 102 16.231 0.270 2.778 1.00 61.32 H new ATOM 0 HG LEU A 102 14.384 -2.129 2.616 1.00 0.14 H new ATOM 0 HD11 LEU A 102 13.623 -1.375 4.831 1.00 74.50 H new ATOM 0 HD12 LEU A 102 15.351 -1.802 4.839 1.00 74.50 H new ATOM 0 HD13 LEU A 102 14.857 -0.093 4.816 1.00 74.50 H new ATOM 0 HD21 LEU A 102 12.569 -0.470 2.779 1.00 64.21 H new ATOM 0 HD22 LEU A 102 13.766 0.844 2.690 1.00 64.21 H new ATOM 0 HD23 LEU A 102 13.535 -0.244 1.301 1.00 64.21 H new ATOM 1642 N ASP A 103 18.365 -0.832 -0.005 1.00 42.31 N ATOM 1643 CA ASP A 103 19.663 -0.281 -0.383 1.00 52.32 C ATOM 1644 C ASP A 103 19.615 0.377 -1.761 1.00 62.11 C ATOM 1645 O ASP A 103 20.652 0.738 -2.323 1.00 23.33 O ATOM 1646 CB ASP A 103 20.738 -1.363 -0.338 1.00 4.53 C ATOM 1647 CG ASP A 103 21.065 -1.783 1.081 1.00 75.04 C ATOM 1648 OD1 ASP A 103 21.901 -1.113 1.727 1.00 23.53 O ATOM 1649 OD2 ASP A 103 20.467 -2.766 1.568 1.00 63.33 O ATOM 0 H ASP A 103 18.268 -1.836 -0.156 1.00 42.31 H new ATOM 0 HA ASP A 103 19.918 0.493 0.341 1.00 52.32 H new ATOM 0 HB2 ASP A 103 20.402 -2.231 -0.904 1.00 4.53 H new ATOM 0 HB3 ASP A 103 21.642 -0.996 -0.824 1.00 4.53 H new ATOM 1654 N LYS A 104 18.407 0.528 -2.301 1.00 43.42 N ATOM 1655 CA LYS A 104 18.209 1.284 -3.535 1.00 52.23 C ATOM 1656 C LYS A 104 16.877 2.041 -3.492 1.00 44.53 C ATOM 1657 O LYS A 104 16.811 3.205 -3.879 1.00 3.42 O ATOM 1658 CB LYS A 104 18.278 0.367 -4.763 1.00 64.22 C ATOM 1659 CG LYS A 104 17.118 -0.606 -4.889 1.00 24.14 C ATOM 1660 CD LYS A 104 17.397 -1.699 -5.907 1.00 2.30 C ATOM 1661 CE LYS A 104 18.448 -2.675 -5.404 1.00 5.21 C ATOM 1662 NZ LYS A 104 19.832 -2.229 -5.699 1.00 41.33 N ATOM 0 H LYS A 104 17.552 0.137 -1.904 1.00 43.42 H new ATOM 0 HA LYS A 104 19.016 2.012 -3.620 1.00 52.23 H new ATOM 0 HB2 LYS A 104 18.317 0.985 -5.660 1.00 64.22 H new ATOM 0 HB3 LYS A 104 19.208 -0.200 -4.726 1.00 64.22 H new ATOM 0 HG2 LYS A 104 16.918 -1.058 -3.918 1.00 24.14 H new ATOM 0 HG3 LYS A 104 16.219 -0.062 -5.179 1.00 24.14 H new ATOM 0 HD2 LYS A 104 16.475 -2.237 -6.126 1.00 2.30 H new ATOM 0 HD3 LYS A 104 17.734 -1.250 -6.841 1.00 2.30 H new ATOM 0 HE2 LYS A 104 18.334 -2.803 -4.328 1.00 5.21 H new ATOM 0 HE3 LYS A 104 18.280 -3.650 -5.860 1.00 5.21 H new ATOM 0 HZ1 LYS A 104 20.364 -3.011 -6.131 1.00 41.33 H new ATOM 0 HZ2 LYS A 104 19.805 -1.424 -6.357 1.00 41.33 H new ATOM 0 HZ3 LYS A 104 20.299 -1.939 -4.816 1.00 41.33 H new ATOM 1676 N ILE A 105 15.819 1.385 -3.012 1.00 13.41 N ATOM 1677 CA ILE A 105 14.519 2.042 -2.874 1.00 53.42 C ATOM 1678 C ILE A 105 14.563 3.037 -1.722 1.00 2.41 C ATOM 1679 O ILE A 105 13.932 4.092 -1.766 1.00 70.11 O ATOM 1680 CB ILE A 105 13.371 1.022 -2.663 1.00 45.15 C ATOM 1681 CG1 ILE A 105 13.680 0.095 -1.487 1.00 23.23 C ATOM 1682 CG2 ILE A 105 13.137 0.219 -3.935 1.00 45.32 C ATOM 1683 CD1 ILE A 105 12.669 -1.018 -1.295 1.00 25.22 C ATOM 0 H ILE A 105 15.836 0.409 -2.715 1.00 13.41 H new ATOM 0 HA ILE A 105 14.313 2.571 -3.805 1.00 53.42 H new ATOM 0 HB ILE A 105 12.459 1.572 -2.429 1.00 45.15 H new ATOM 0 HG12 ILE A 105 14.666 -0.346 -1.635 1.00 23.23 H new ATOM 0 HG13 ILE A 105 13.729 0.688 -0.574 1.00 23.23 H new ATOM 0 HG21 ILE A 105 12.328 -0.493 -3.772 1.00 45.32 H new ATOM 0 HG22 ILE A 105 12.868 0.894 -4.747 1.00 45.32 H new ATOM 0 HG23 ILE A 105 14.047 -0.320 -4.198 1.00 45.32 H new ATOM 0 HD11 ILE A 105 12.960 -1.630 -0.442 1.00 25.22 H new ATOM 0 HD12 ILE A 105 11.684 -0.588 -1.114 1.00 25.22 H new ATOM 0 HD13 ILE A 105 12.635 -1.637 -2.191 1.00 25.22 H new ATOM 1695 N GLY A 106 15.343 2.691 -0.705 1.00 52.13 N ATOM 1696 CA GLY A 106 15.609 3.605 0.390 1.00 33.33 C ATOM 1697 C GLY A 106 14.426 3.850 1.308 1.00 1.34 C ATOM 1698 O GLY A 106 14.340 3.261 2.383 1.00 73.10 O ATOM 0 H GLY A 106 15.801 1.783 -0.619 1.00 52.13 H new ATOM 0 HA2 GLY A 106 16.436 3.212 0.981 1.00 33.33 H new ATOM 0 HA3 GLY A 106 15.937 4.560 -0.022 1.00 33.33 H new ATOM 1702 N GLU A 107 13.516 4.711 0.874 1.00 20.11 N ATOM 1703 CA GLU A 107 12.476 5.246 1.747 1.00 43.40 C ATOM 1704 C GLU A 107 11.081 5.012 1.171 1.00 63.02 C ATOM 1705 O GLU A 107 10.193 5.850 1.317 1.00 72.52 O ATOM 1706 CB GLU A 107 12.702 6.750 1.933 1.00 34.30 C ATOM 1707 CG GLU A 107 14.086 7.102 2.464 1.00 44.12 C ATOM 1708 CD GLU A 107 14.423 8.569 2.297 1.00 14.33 C ATOM 1709 OE1 GLU A 107 14.688 8.991 1.152 1.00 12.33 O ATOM 1710 OE2 GLU A 107 14.446 9.306 3.306 1.00 61.02 O ATOM 0 H GLU A 107 13.476 5.057 -0.085 1.00 20.11 H new ATOM 0 HA GLU A 107 12.536 4.728 2.704 1.00 43.40 H new ATOM 0 HB2 GLU A 107 12.551 7.252 0.977 1.00 34.30 H new ATOM 0 HB3 GLU A 107 11.950 7.139 2.619 1.00 34.30 H new ATOM 0 HG2 GLU A 107 14.143 6.839 3.520 1.00 44.12 H new ATOM 0 HG3 GLU A 107 14.833 6.501 1.945 1.00 44.12 H new ATOM 1717 N ASP A 108 10.884 3.868 0.529 1.00 0.32 N ATOM 1718 CA ASP A 108 9.597 3.556 -0.088 1.00 32.44 C ATOM 1719 C ASP A 108 8.623 2.998 0.946 1.00 4.31 C ATOM 1720 O ASP A 108 7.405 3.141 0.817 1.00 65.12 O ATOM 1721 CB ASP A 108 9.779 2.551 -1.231 1.00 54.11 C ATOM 1722 CG ASP A 108 10.015 1.138 -0.742 1.00 61.55 C ATOM 1723 OD1 ASP A 108 10.858 0.949 0.163 1.00 53.42 O ATOM 1724 OD2 ASP A 108 9.347 0.213 -1.252 1.00 35.34 O ATOM 0 H ASP A 108 11.593 3.143 0.421 1.00 0.32 H new ATOM 0 HA ASP A 108 9.184 4.480 -0.493 1.00 32.44 H new ATOM 0 HB2 ASP A 108 8.893 2.567 -1.866 1.00 54.11 H new ATOM 0 HB3 ASP A 108 10.621 2.861 -1.850 1.00 54.11 H new ATOM 1729 N HIS A 109 9.170 2.360 1.974 1.00 55.32 N ATOM 1730 CA HIS A 109 8.365 1.781 3.037 1.00 20.44 C ATOM 1731 C HIS A 109 8.670 2.460 4.368 1.00 22.00 C ATOM 1732 O HIS A 109 9.731 2.251 4.953 1.00 73.51 O ATOM 1733 CB HIS A 109 8.619 0.275 3.149 1.00 21.41 C ATOM 1734 CG HIS A 109 8.175 -0.518 1.954 1.00 23.00 C ATOM 1735 ND1 HIS A 109 6.999 -0.273 1.285 1.00 53.34 N ATOM 1736 CD2 HIS A 109 8.744 -1.578 1.334 1.00 10.34 C ATOM 1737 CE1 HIS A 109 6.859 -1.157 0.314 1.00 31.02 C ATOM 1738 NE2 HIS A 109 7.903 -1.966 0.320 1.00 2.44 N ATOM 0 H HIS A 109 10.175 2.231 2.092 1.00 55.32 H new ATOM 0 HA HIS A 109 7.315 1.941 2.792 1.00 20.44 H new ATOM 0 HB2 HIS A 109 9.685 0.109 3.305 1.00 21.41 H new ATOM 0 HB3 HIS A 109 8.105 -0.103 4.033 1.00 21.41 H new ATOM 0 HD1 HIS A 109 6.339 0.473 1.504 1.00 53.34 H new ATOM 0 HD2 HIS A 109 9.688 -2.036 1.590 1.00 10.34 H new ATOM 0 HE1 HIS A 109 6.027 -1.210 -0.373 1.00 31.02 H new ATOM 1747 N ILE A 110 7.734 3.273 4.839 1.00 33.43 N ATOM 1748 CA ILE A 110 7.941 4.071 6.048 1.00 44.20 C ATOM 1749 C ILE A 110 6.720 3.994 6.967 1.00 61.23 C ATOM 1750 O ILE A 110 5.862 3.128 6.794 1.00 41.51 O ATOM 1751 CB ILE A 110 8.250 5.560 5.718 1.00 1.43 C ATOM 1752 CG1 ILE A 110 6.999 6.321 5.247 1.00 44.22 C ATOM 1753 CG2 ILE A 110 9.357 5.668 4.678 1.00 4.24 C ATOM 1754 CD1 ILE A 110 6.302 5.732 4.042 1.00 5.32 C ATOM 0 H ILE A 110 6.820 3.400 4.404 1.00 33.43 H new ATOM 0 HA ILE A 110 8.806 3.649 6.559 1.00 44.20 H new ATOM 0 HB ILE A 110 8.589 6.026 6.643 1.00 1.43 H new ATOM 0 HG12 ILE A 110 6.288 6.365 6.072 1.00 44.22 H new ATOM 0 HG13 ILE A 110 7.283 7.348 5.016 1.00 44.22 H new ATOM 0 HG21 ILE A 110 9.554 6.718 4.464 1.00 4.24 H new ATOM 0 HG22 ILE A 110 10.263 5.199 5.061 1.00 4.24 H new ATOM 0 HG23 ILE A 110 9.047 5.164 3.763 1.00 4.24 H new ATOM 0 HD11 ILE A 110 5.434 6.341 3.790 1.00 5.32 H new ATOM 0 HD12 ILE A 110 6.990 5.714 3.197 1.00 5.32 H new ATOM 0 HD13 ILE A 110 5.979 4.716 4.269 1.00 5.32 H new ATOM 1766 N PHE A 111 6.645 4.892 7.946 1.00 24.12 N ATOM 1767 CA PHE A 111 5.522 4.916 8.876 1.00 25.50 C ATOM 1768 C PHE A 111 4.609 6.116 8.632 1.00 32.22 C ATOM 1769 O PHE A 111 4.771 6.840 7.652 1.00 32.10 O ATOM 1770 CB PHE A 111 6.021 4.940 10.319 1.00 53.34 C ATOM 1771 CG PHE A 111 6.654 3.654 10.751 1.00 12.33 C ATOM 1772 CD1 PHE A 111 5.870 2.545 11.019 1.00 71.54 C ATOM 1773 CD2 PHE A 111 8.028 3.549 10.882 1.00 22.34 C ATOM 1774 CE1 PHE A 111 6.443 1.357 11.414 1.00 1.22 C ATOM 1775 CE2 PHE A 111 8.608 2.363 11.277 1.00 24.42 C ATOM 1776 CZ PHE A 111 7.817 1.263 11.544 1.00 21.42 C ATOM 0 H PHE A 111 7.348 5.611 8.115 1.00 24.12 H new ATOM 0 HA PHE A 111 4.944 4.008 8.705 1.00 25.50 H new ATOM 0 HB2 PHE A 111 6.744 5.748 10.432 1.00 53.34 H new ATOM 0 HB3 PHE A 111 5.185 5.165 10.981 1.00 53.34 H new ATOM 0 HD1 PHE A 111 4.797 2.612 10.917 1.00 71.54 H new ATOM 0 HD2 PHE A 111 8.652 4.405 10.672 1.00 22.34 H new ATOM 0 HE1 PHE A 111 5.820 0.499 11.622 1.00 1.22 H new ATOM 0 HE2 PHE A 111 9.681 2.294 11.378 1.00 24.42 H new ATOM 0 HZ PHE A 111 8.270 0.332 11.853 1.00 21.42 H new ATOM 1786 N MET A 112 3.634 6.275 9.528 1.00 64.12 N ATOM 1787 CA MET A 112 2.680 7.395 9.517 1.00 23.52 C ATOM 1788 C MET A 112 3.366 8.723 9.184 1.00 44.20 C ATOM 1789 O MET A 112 4.101 9.274 10.005 1.00 32.55 O ATOM 1790 CB MET A 112 2.005 7.484 10.897 1.00 33.45 C ATOM 1791 CG MET A 112 0.958 8.586 11.046 1.00 63.15 C ATOM 1792 SD MET A 112 -0.633 8.179 10.289 1.00 54.43 S ATOM 1793 CE MET A 112 -0.398 8.781 8.621 1.00 34.21 C ATOM 0 H MET A 112 3.479 5.621 10.295 1.00 64.12 H new ATOM 0 HA MET A 112 1.937 7.210 8.741 1.00 23.52 H new ATOM 0 HB2 MET A 112 1.532 6.526 11.114 1.00 33.45 H new ATOM 0 HB3 MET A 112 2.777 7.636 11.651 1.00 33.45 H new ATOM 0 HG2 MET A 112 0.805 8.790 12.106 1.00 63.15 H new ATOM 0 HG3 MET A 112 1.341 9.503 10.597 1.00 63.15 H new ATOM 0 HE1 MET A 112 -0.975 8.168 7.928 1.00 34.21 H new ATOM 0 HE2 MET A 112 -0.734 9.816 8.557 1.00 34.21 H new ATOM 0 HE3 MET A 112 0.659 8.726 8.360 1.00 34.21 H new ATOM 1803 N THR A 113 3.125 9.222 7.972 1.00 71.55 N ATOM 1804 CA THR A 113 3.720 10.479 7.533 1.00 2.34 C ATOM 1805 C THR A 113 3.222 10.884 6.139 1.00 14.31 C ATOM 1806 O THR A 113 3.159 12.069 5.828 1.00 13.01 O ATOM 1807 CB THR A 113 5.274 10.404 7.534 1.00 74.42 C ATOM 1808 OG1 THR A 113 5.839 11.711 7.383 1.00 32.12 O ATOM 1809 CG2 THR A 113 5.794 9.510 6.419 1.00 44.12 C ATOM 0 H THR A 113 2.523 8.775 7.280 1.00 71.55 H new ATOM 0 HA THR A 113 3.406 11.240 8.247 1.00 2.34 H new ATOM 0 HB THR A 113 5.573 9.978 8.492 1.00 74.42 H new ATOM 0 HG1 THR A 113 6.817 11.647 7.387 1.00 32.12 H new ATOM 0 HG21 THR A 113 6.883 9.483 6.452 1.00 44.12 H new ATOM 0 HG22 THR A 113 5.402 8.501 6.549 1.00 44.12 H new ATOM 0 HG23 THR A 113 5.470 9.904 5.456 1.00 44.12 H new ATOM 1817 N LEU A 114 2.836 9.898 5.320 1.00 70.11 N ATOM 1818 CA LEU A 114 2.488 10.130 3.908 1.00 21.22 C ATOM 1819 C LEU A 114 1.461 11.259 3.692 1.00 24.52 C ATOM 1820 O LEU A 114 1.672 12.101 2.820 1.00 21.23 O ATOM 1821 CB LEU A 114 1.993 8.832 3.266 1.00 3.14 C ATOM 1822 CG LEU A 114 2.718 8.412 1.987 1.00 50.22 C ATOM 1823 CD1 LEU A 114 2.338 6.990 1.617 1.00 13.32 C ATOM 1824 CD2 LEU A 114 2.391 9.359 0.841 1.00 32.40 C ATOM 0 H LEU A 114 2.756 8.924 5.612 1.00 70.11 H new ATOM 0 HA LEU A 114 3.405 10.463 3.422 1.00 21.22 H new ATOM 0 HB2 LEU A 114 2.085 8.028 3.996 1.00 3.14 H new ATOM 0 HB3 LEU A 114 0.932 8.939 3.043 1.00 3.14 H new ATOM 0 HG LEU A 114 3.792 8.458 2.170 1.00 50.22 H new ATOM 0 HD11 LEU A 114 2.859 6.700 0.705 1.00 13.32 H new ATOM 0 HD12 LEU A 114 2.620 6.316 2.426 1.00 13.32 H new ATOM 0 HD13 LEU A 114 1.262 6.932 1.454 1.00 13.32 H new ATOM 0 HD21 LEU A 114 2.919 9.039 -0.057 1.00 32.40 H new ATOM 0 HD22 LEU A 114 1.317 9.347 0.655 1.00 32.40 H new ATOM 0 HD23 LEU A 114 2.703 10.370 1.104 1.00 32.40 H new ATOM 1836 N PRO A 115 0.331 11.297 4.437 1.00 55.04 N ATOM 1837 CA PRO A 115 -0.654 12.390 4.317 1.00 32.32 C ATOM 1838 C PRO A 115 -0.018 13.779 4.424 1.00 3.52 C ATOM 1839 O PRO A 115 -0.398 14.705 3.706 1.00 70.20 O ATOM 1840 CB PRO A 115 -1.608 12.149 5.489 1.00 32.45 C ATOM 1841 CG PRO A 115 -1.549 10.681 5.717 1.00 23.51 C ATOM 1842 CD PRO A 115 -0.110 10.278 5.410 1.00 12.30 C ATOM 0 HA PRO A 115 -1.142 12.380 3.342 1.00 32.32 H new ATOM 0 HB2 PRO A 115 -1.296 12.702 6.375 1.00 32.45 H new ATOM 0 HB3 PRO A 115 -2.621 12.474 5.250 1.00 32.45 H new ATOM 0 HG2 PRO A 115 -1.815 10.432 6.744 1.00 23.51 H new ATOM 0 HG3 PRO A 115 -2.250 10.155 5.070 1.00 23.51 H new ATOM 0 HD2 PRO A 115 0.509 10.285 6.307 1.00 12.30 H new ATOM 0 HD3 PRO A 115 -0.055 9.273 4.992 1.00 12.30 H new ATOM 1850 N THR A 116 0.956 13.914 5.313 1.00 31.30 N ATOM 1851 CA THR A 116 1.678 15.168 5.473 1.00 73.22 C ATOM 1852 C THR A 116 2.810 15.259 4.449 1.00 13.41 C ATOM 1853 O THR A 116 3.126 16.337 3.936 1.00 52.14 O ATOM 1854 CB THR A 116 2.258 15.285 6.893 1.00 73.02 C ATOM 1855 OG1 THR A 116 1.257 14.920 7.853 1.00 42.32 O ATOM 1856 CG2 THR A 116 2.739 16.700 7.174 1.00 25.43 C ATOM 0 H THR A 116 1.265 13.168 5.936 1.00 31.30 H new ATOM 0 HA THR A 116 0.977 15.987 5.311 1.00 73.22 H new ATOM 0 HB THR A 116 3.111 14.611 6.970 1.00 73.02 H new ATOM 0 HG1 THR A 116 1.628 14.993 8.757 1.00 42.32 H new ATOM 0 HG21 THR A 116 3.144 16.753 8.185 1.00 25.43 H new ATOM 0 HG22 THR A 116 3.515 16.969 6.458 1.00 25.43 H new ATOM 0 HG23 THR A 116 1.903 17.394 7.081 1.00 25.43 H new ATOM 1864 N ALA A 117 3.402 14.108 4.147 1.00 3.03 N ATOM 1865 CA ALA A 117 4.483 14.018 3.178 1.00 15.31 C ATOM 1866 C ALA A 117 4.045 14.548 1.823 1.00 71.03 C ATOM 1867 O ALA A 117 4.718 15.388 1.244 1.00 75.44 O ATOM 1868 CB ALA A 117 4.979 12.582 3.061 1.00 4.10 C ATOM 0 H ALA A 117 3.145 13.215 4.567 1.00 3.03 H new ATOM 0 HA ALA A 117 5.307 14.638 3.531 1.00 15.31 H new ATOM 0 HB1 ALA A 117 5.788 12.535 2.332 1.00 4.10 H new ATOM 0 HB2 ALA A 117 5.345 12.243 4.030 1.00 4.10 H new ATOM 0 HB3 ALA A 117 4.160 11.939 2.737 1.00 4.10 H new ATOM 1874 N VAL A 118 2.911 14.079 1.319 1.00 52.24 N ATOM 1875 CA VAL A 118 2.407 14.574 0.046 1.00 74.43 C ATOM 1876 C VAL A 118 2.081 16.059 0.145 1.00 41.31 C ATOM 1877 O VAL A 118 2.312 16.819 -0.794 1.00 23.11 O ATOM 1878 CB VAL A 118 1.164 13.798 -0.452 1.00 15.52 C ATOM 1879 CG1 VAL A 118 1.537 12.372 -0.814 1.00 51.14 C ATOM 1880 CG2 VAL A 118 0.046 13.811 0.582 1.00 14.14 C ATOM 0 H VAL A 118 2.331 13.368 1.764 1.00 52.24 H new ATOM 0 HA VAL A 118 3.201 14.416 -0.684 1.00 74.43 H new ATOM 0 HB VAL A 118 0.795 14.302 -1.346 1.00 15.52 H new ATOM 0 HG11 VAL A 118 0.651 11.841 -1.162 1.00 51.14 H new ATOM 0 HG12 VAL A 118 2.288 12.382 -1.604 1.00 51.14 H new ATOM 0 HG13 VAL A 118 1.941 11.867 0.064 1.00 51.14 H new ATOM 0 HG21 VAL A 118 -0.811 13.257 0.199 1.00 14.14 H new ATOM 0 HG22 VAL A 118 0.397 13.345 1.503 1.00 14.14 H new ATOM 0 HG23 VAL A 118 -0.249 14.840 0.786 1.00 14.14 H new ATOM 1890 N GLN A 119 1.596 16.472 1.312 1.00 50.00 N ATOM 1891 CA GLN A 119 1.225 17.860 1.541 1.00 43.21 C ATOM 1892 C GLN A 119 2.428 18.786 1.367 1.00 10.14 C ATOM 1893 O GLN A 119 2.281 19.925 0.942 1.00 42.12 O ATOM 1894 CB GLN A 119 0.625 18.028 2.942 1.00 2.45 C ATOM 1895 CG GLN A 119 0.165 19.446 3.249 1.00 52.21 C ATOM 1896 CD GLN A 119 0.958 20.108 4.368 1.00 5.13 C ATOM 1897 OE1 GLN A 119 0.439 20.959 5.084 1.00 50.52 O ATOM 1898 NE2 GLN A 119 2.219 19.729 4.524 1.00 4.05 N ATOM 0 H GLN A 119 1.451 15.861 2.115 1.00 50.00 H new ATOM 0 HA GLN A 119 0.474 18.135 0.800 1.00 43.21 H new ATOM 0 HB2 GLN A 119 -0.222 17.351 3.047 1.00 2.45 H new ATOM 0 HB3 GLN A 119 1.367 17.729 3.683 1.00 2.45 H new ATOM 0 HG2 GLN A 119 0.249 20.051 2.346 1.00 52.21 H new ATOM 0 HG3 GLN A 119 -0.890 19.427 3.523 1.00 52.21 H new ATOM 0 HE21 GLN A 119 2.618 19.018 3.910 1.00 4.05 H new ATOM 0 HE22 GLN A 119 2.790 20.148 5.258 1.00 4.05 H new ATOM 1907 N ALA A 120 3.616 18.285 1.691 1.00 3.42 N ATOM 1908 CA ALA A 120 4.829 19.087 1.592 1.00 54.11 C ATOM 1909 C ALA A 120 5.631 18.772 0.322 1.00 75.31 C ATOM 1910 O ALA A 120 6.003 19.673 -0.426 1.00 4.20 O ATOM 1911 CB ALA A 120 5.697 18.877 2.824 1.00 34.54 C ATOM 0 H ALA A 120 3.764 17.332 2.023 1.00 3.42 H new ATOM 0 HA ALA A 120 4.524 20.132 1.533 1.00 54.11 H new ATOM 0 HB1 ALA A 120 6.601 19.481 2.740 1.00 34.54 H new ATOM 0 HB2 ALA A 120 5.143 19.175 3.714 1.00 34.54 H new ATOM 0 HB3 ALA A 120 5.970 17.825 2.902 1.00 34.54 H new ATOM 1917 N PHE A 121 5.875 17.493 0.073 1.00 25.41 N ATOM 1918 CA PHE A 121 6.762 17.069 -1.011 1.00 54.34 C ATOM 1919 C PHE A 121 6.176 17.330 -2.396 1.00 1.20 C ATOM 1920 O PHE A 121 6.920 17.442 -3.367 1.00 53.31 O ATOM 1921 CB PHE A 121 7.108 15.578 -0.884 1.00 32.13 C ATOM 1922 CG PHE A 121 8.038 15.256 0.253 1.00 0.11 C ATOM 1923 CD1 PHE A 121 9.368 15.635 0.205 1.00 74.43 C ATOM 1924 CD2 PHE A 121 7.585 14.563 1.364 1.00 13.24 C ATOM 1925 CE1 PHE A 121 10.228 15.333 1.243 1.00 0.20 C ATOM 1926 CE2 PHE A 121 8.438 14.259 2.405 1.00 74.32 C ATOM 1927 CZ PHE A 121 9.764 14.644 2.344 1.00 22.14 C ATOM 0 H PHE A 121 5.471 16.724 0.608 1.00 25.41 H new ATOM 0 HA PHE A 121 7.665 17.671 -0.912 1.00 54.34 H new ATOM 0 HB2 PHE A 121 6.185 15.012 -0.755 1.00 32.13 H new ATOM 0 HB3 PHE A 121 7.561 15.241 -1.816 1.00 32.13 H new ATOM 0 HD1 PHE A 121 9.738 16.174 -0.655 1.00 74.43 H new ATOM 0 HD2 PHE A 121 6.551 14.257 1.416 1.00 13.24 H new ATOM 0 HE1 PHE A 121 11.263 15.636 1.192 1.00 0.20 H new ATOM 0 HE2 PHE A 121 8.070 13.721 3.266 1.00 74.32 H new ATOM 0 HZ PHE A 121 10.435 14.406 3.156 1.00 22.14 H new ATOM 1937 N ARG A 122 4.855 17.433 -2.508 1.00 31.12 N ATOM 1938 CA ARG A 122 4.238 17.568 -3.827 1.00 43.44 C ATOM 1939 C ARG A 122 4.189 19.021 -4.300 1.00 1.30 C ATOM 1940 O ARG A 122 3.803 19.293 -5.437 1.00 35.11 O ATOM 1941 CB ARG A 122 2.836 16.950 -3.856 1.00 73.01 C ATOM 1942 CG ARG A 122 2.813 15.476 -3.473 1.00 31.23 C ATOM 1943 CD ARG A 122 3.885 14.680 -4.202 1.00 50.41 C ATOM 1944 NE ARG A 122 3.630 14.567 -5.632 1.00 50.11 N ATOM 1945 CZ ARG A 122 4.524 14.858 -6.577 1.00 24.33 C ATOM 1946 NH1 ARG A 122 5.701 15.387 -6.247 1.00 22.21 N ATOM 1947 NH2 ARG A 122 4.236 14.632 -7.849 1.00 43.32 N ATOM 0 H ARG A 122 4.203 17.426 -1.724 1.00 31.12 H new ATOM 0 HA ARG A 122 4.873 17.018 -4.521 1.00 43.44 H new ATOM 0 HB2 ARG A 122 2.189 17.504 -3.176 1.00 73.01 H new ATOM 0 HB3 ARG A 122 2.418 17.064 -4.856 1.00 73.01 H new ATOM 0 HG2 ARG A 122 2.958 15.379 -2.397 1.00 31.23 H new ATOM 0 HG3 ARG A 122 1.833 15.058 -3.701 1.00 31.23 H new ATOM 0 HD2 ARG A 122 4.853 15.156 -4.047 1.00 50.41 H new ATOM 0 HD3 ARG A 122 3.948 13.682 -3.769 1.00 50.41 H new ATOM 0 HE ARG A 122 2.709 14.245 -5.929 1.00 50.11 H new ATOM 0 HH11 ARG A 122 5.921 15.571 -5.268 1.00 22.21 H new ATOM 0 HH12 ARG A 122 6.382 15.608 -6.973 1.00 22.21 H new ATOM 0 HH21 ARG A 122 3.331 14.236 -8.105 1.00 43.32 H new ATOM 0 HH22 ARG A 122 4.919 14.854 -8.574 1.00 43.32 H new ATOM 1961 N ARG A 123 4.577 19.958 -3.440 1.00 73.45 N ATOM 1962 CA ARG A 123 4.689 21.349 -3.869 1.00 61.34 C ATOM 1963 C ARG A 123 6.051 21.932 -3.494 1.00 75.12 C ATOM 1964 O ARG A 123 6.465 22.943 -4.055 1.00 64.33 O ATOM 1965 CB ARG A 123 3.530 22.212 -3.324 1.00 32.33 C ATOM 1966 CG ARG A 123 3.755 22.871 -1.964 1.00 11.12 C ATOM 1967 CD ARG A 123 3.890 21.860 -0.839 1.00 3.31 C ATOM 1968 NE ARG A 123 3.559 22.441 0.461 1.00 24.40 N ATOM 1969 CZ ARG A 123 4.451 22.864 1.357 1.00 14.00 C ATOM 1970 NH1 ARG A 123 5.748 22.827 1.095 1.00 61.21 N ATOM 1971 NH2 ARG A 123 4.035 23.335 2.521 1.00 64.12 N ATOM 0 H ARG A 123 4.815 19.786 -2.463 1.00 73.45 H new ATOM 0 HA ARG A 123 4.611 21.364 -4.956 1.00 61.34 H new ATOM 0 HB2 ARG A 123 3.315 22.995 -4.052 1.00 32.33 H new ATOM 0 HB3 ARG A 123 2.640 21.586 -3.257 1.00 32.33 H new ATOM 0 HG2 ARG A 123 4.655 23.484 -2.006 1.00 11.12 H new ATOM 0 HG3 ARG A 123 2.923 23.541 -1.747 1.00 11.12 H new ATOM 0 HD2 ARG A 123 3.235 21.011 -1.034 1.00 3.31 H new ATOM 0 HD3 ARG A 123 4.910 21.477 -0.816 1.00 3.31 H new ATOM 0 HE ARG A 123 2.571 22.529 0.701 1.00 24.40 H new ATOM 0 HH11 ARG A 123 6.077 22.471 0.197 1.00 61.21 H new ATOM 0 HH12 ARG A 123 6.418 23.154 1.791 1.00 61.21 H new ATOM 0 HH21 ARG A 123 3.037 23.373 2.729 1.00 64.12 H new ATOM 0 HH22 ARG A 123 4.712 23.660 3.211 1.00 64.12 H new ATOM 1985 N ARG A 124 6.737 21.268 -2.557 1.00 43.43 N ATOM 1986 CA ARG A 124 8.087 21.649 -2.130 1.00 30.24 C ATOM 1987 C ARG A 124 8.124 23.069 -1.578 1.00 11.14 C ATOM 1988 O ARG A 124 7.959 23.221 -0.354 1.00 13.21 O ATOM 1989 CB ARG A 124 9.089 21.491 -3.278 1.00 2.02 C ATOM 1990 CG ARG A 124 9.260 20.050 -3.735 1.00 20.11 C ATOM 1991 CD ARG A 124 9.810 19.167 -2.622 1.00 14.42 C ATOM 1992 NE ARG A 124 11.184 19.522 -2.266 1.00 42.12 N ATOM 1993 CZ ARG A 124 11.811 19.095 -1.171 1.00 62.14 C ATOM 1994 NH1 ARG A 124 11.178 18.322 -0.295 1.00 71.43 N ATOM 1995 NH2 ARG A 124 13.073 19.439 -0.954 1.00 64.04 N ATOM 0 H ARG A 124 6.370 20.449 -2.072 1.00 43.43 H new ATOM 0 HA ARG A 124 8.375 20.974 -1.324 1.00 30.24 H new ATOM 0 HB2 ARG A 124 8.761 22.096 -4.123 1.00 2.02 H new ATOM 0 HB3 ARG A 124 10.056 21.882 -2.963 1.00 2.02 H new ATOM 0 HG2 ARG A 124 8.299 19.658 -4.069 1.00 20.11 H new ATOM 0 HG3 ARG A 124 9.933 20.017 -4.592 1.00 20.11 H new ATOM 0 HD2 ARG A 124 9.173 19.256 -1.742 1.00 14.42 H new ATOM 0 HD3 ARG A 124 9.775 18.124 -2.937 1.00 14.42 H new ATOM 0 HE ARG A 124 11.696 20.137 -2.898 1.00 42.12 H new ATOM 0 HH11 ARG A 124 10.208 18.053 -0.460 1.00 71.43 H new ATOM 0 HH12 ARG A 124 11.662 17.997 0.542 1.00 71.43 H new ATOM 0 HH21 ARG A 124 13.563 20.030 -1.625 1.00 64.04 H new ATOM 0 HH22 ARG A 124 13.554 19.112 -0.116 1.00 64.04 H new