USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 28 SER OG : rot -63:sc= 1.24 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 HIS : no HD1:sc= -2.18! C(o=-6.1!,f=-4.5!) USER MOD Set 2.2: A 81 GLN : amide:sc= -3.94! K(o=-6.1!,f=-2.2) USER MOD Set 3.1: A 16 ASN : amide:sc= -3.42! C(o=-4!,f=-14!) USER MOD Set 3.2: A 21 SER OG : rot 180:sc= -0.543 USER MOD Single : A 15 SER OG : rot -46:sc= 0.621 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -145:sc= -2.74! (180deg=-4.56!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 35 SER OG : rot -58:sc= 0.956 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=5.41e-05 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0034 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -7:sc= 0.0461 USER MOD Single : A 61 THR OG1 : rot -170:sc= -0.93 USER MOD Single : A 66 GLN : amide:sc= -0.0608 K(o=-0.061,f=-1.6!) USER MOD Single : A 67 THR OG1 : rot -42:sc= 0.232 USER MOD Single : A 71 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.67) USER MOD Single : A 72 THR OG1 : rot 16:sc= 0.742 USER MOD Single : A 73 HIS : no HE2:sc= -1.9! X(o=-1.9!,f=-1.6) USER MOD Single : A 75 MET CE :methyl -122:sc= -1.6 (180deg=-3.36!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.892 8.920 2.190 1.00 0.00 N ATOM 81 CA ALA A 9 9.638 8.265 1.838 1.00 0.00 C ATOM 82 C ALA A 9 9.607 7.899 0.358 1.00 0.00 C ATOM 83 O ALA A 9 9.941 8.716 -0.501 1.00 0.00 O ATOM 84 CB ALA A 9 8.460 9.161 2.187 1.00 0.00 C ATOM 0 HA ALA A 9 9.563 7.343 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.530 8.660 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.465 9.369 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.539 10.098 1.635 1.00 0.00 H new ATOM 90 N ARG A 10 9.203 6.667 0.067 1.00 0.00 N ATOM 91 CA ARG A 10 9.130 6.192 -1.310 1.00 0.00 C ATOM 92 C ARG A 10 7.684 6.147 -1.793 1.00 0.00 C ATOM 93 O ARG A 10 6.761 5.832 -1.041 1.00 0.00 O ATOM 94 CB ARG A 10 9.762 4.804 -1.427 1.00 0.00 C ATOM 95 CG ARG A 10 11.248 4.782 -1.110 1.00 0.00 C ATOM 96 CD ARG A 10 11.928 3.561 -1.709 1.00 0.00 C ATOM 97 NE ARG A 10 13.278 3.373 -1.185 1.00 0.00 N ATOM 98 CZ ARG A 10 13.929 2.216 -1.227 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.356 1.149 -1.767 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.155 2.124 -0.729 1.00 0.00 N ATOM 0 H ARG A 10 8.921 5.980 0.766 1.00 0.00 H new ATOM 0 HA ARG A 10 9.683 6.890 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.245 4.121 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.610 4.429 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.717 5.687 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.391 4.786 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.331 2.674 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.971 3.666 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 10 13.747 4.175 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.413 1.216 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.858 0.262 -1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.599 2.943 -0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.653 1.235 -0.762 1.00 0.00 H new ATOM 114 N PRO A 11 7.479 6.471 -3.079 1.00 0.00 N ATOM 115 CA PRO A 11 6.146 6.474 -3.691 1.00 0.00 C ATOM 116 C PRO A 11 5.579 5.068 -3.852 1.00 0.00 C ATOM 117 O PRO A 11 6.321 4.108 -4.061 1.00 0.00 O ATOM 118 CB PRO A 11 6.389 7.113 -5.061 1.00 0.00 C ATOM 119 CG PRO A 11 7.823 6.839 -5.359 1.00 0.00 C ATOM 120 CD PRO A 11 8.531 6.856 -4.033 1.00 0.00 C ATOM 0 HA PRO A 11 5.417 7.005 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.737 6.681 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.187 8.184 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.942 5.874 -5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.233 7.593 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.366 6.156 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.937 7.842 -3.807 1.00 0.00 H new ATOM 128 N PHE A 12 4.259 4.954 -3.755 1.00 0.00 N ATOM 129 CA PHE A 12 3.590 3.665 -3.889 1.00 0.00 C ATOM 130 C PHE A 12 2.219 3.827 -4.539 1.00 0.00 C ATOM 131 O PHE A 12 1.552 4.846 -4.358 1.00 0.00 O ATOM 132 CB PHE A 12 3.443 2.998 -2.520 1.00 0.00 C ATOM 133 CG PHE A 12 4.747 2.818 -1.797 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.791 2.121 -2.385 1.00 0.00 C ATOM 135 CD2 PHE A 12 4.930 3.345 -0.529 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.992 1.954 -1.723 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.129 3.181 0.138 1.00 0.00 C ATOM 138 CZ PHE A 12 7.161 2.484 -0.458 1.00 0.00 C ATOM 0 H PHE A 12 3.631 5.739 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 12 4.203 3.031 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.774 3.598 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.971 2.024 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.664 1.703 -3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.126 3.890 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.798 1.410 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.259 3.598 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.098 2.353 0.063 1.00 0.00 H new ATOM 148 N ARG A 13 1.806 2.816 -5.295 1.00 0.00 N ATOM 149 CA ARG A 13 0.516 2.847 -5.974 1.00 0.00 C ATOM 150 C ARG A 13 -0.526 2.048 -5.197 1.00 0.00 C ATOM 151 O ARG A 13 -0.256 0.939 -4.735 1.00 0.00 O ATOM 152 CB ARG A 13 0.648 2.289 -7.392 1.00 0.00 C ATOM 153 CG ARG A 13 1.225 3.284 -8.387 1.00 0.00 C ATOM 154 CD ARG A 13 0.842 2.930 -9.815 1.00 0.00 C ATOM 155 NE ARG A 13 1.820 2.045 -10.440 1.00 0.00 N ATOM 156 CZ ARG A 13 3.079 2.394 -10.680 1.00 0.00 C ATOM 157 NH1 ARG A 13 3.511 3.602 -10.345 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.910 1.532 -11.252 1.00 0.00 N ATOM 0 H ARG A 13 2.346 1.965 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 13 0.187 3.885 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.283 1.403 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.334 1.968 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.866 4.286 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.311 3.304 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.136 2.450 -9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.752 3.843 -10.403 1.00 0.00 H new ATOM 0 HE ARG A 13 1.520 1.107 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.876 4.266 -9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.478 3.867 -10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.582 0.601 -11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.877 1.801 -11.436 1.00 0.00 H new ATOM 172 N VAL A 14 -1.718 2.618 -5.056 1.00 0.00 N ATOM 173 CA VAL A 14 -2.800 1.960 -4.335 1.00 0.00 C ATOM 174 C VAL A 14 -4.046 1.838 -5.206 1.00 0.00 C ATOM 175 O VAL A 14 -4.323 2.704 -6.035 1.00 0.00 O ATOM 176 CB VAL A 14 -3.162 2.721 -3.046 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.036 1.862 -2.145 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.902 3.161 -2.317 1.00 0.00 C ATOM 0 H VAL A 14 -1.959 3.535 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.444 0.964 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.728 3.612 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.281 2.417 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.955 1.601 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.499 0.951 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.176 3.697 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.308 2.285 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.318 3.816 -2.963 1.00 0.00 H new ATOM 188 N SER A 15 -4.794 0.757 -5.011 1.00 0.00 N ATOM 189 CA SER A 15 -6.009 0.519 -5.782 1.00 0.00 C ATOM 190 C SER A 15 -7.129 0.001 -4.884 1.00 0.00 C ATOM 191 O SER A 15 -6.893 -0.796 -3.977 1.00 0.00 O ATOM 192 CB SER A 15 -5.737 -0.481 -6.907 1.00 0.00 C ATOM 193 OG SER A 15 -5.223 0.169 -8.055 1.00 0.00 O ATOM 0 H SER A 15 -4.580 0.032 -4.326 1.00 0.00 H new ATOM 0 HA SER A 15 -6.325 1.467 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.028 -1.234 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.658 -1.004 -7.163 1.00 0.00 H new ATOM 0 HG SER A 15 -5.760 0.966 -8.247 1.00 0.00 H new ATOM 199 N ASN A 16 -8.349 0.460 -5.145 1.00 0.00 N ATOM 200 CA ASN A 16 -9.506 0.045 -4.361 1.00 0.00 C ATOM 201 C ASN A 16 -9.836 -1.424 -4.615 1.00 0.00 C ATOM 202 O ASN A 16 -9.196 -2.082 -5.435 1.00 0.00 O ATOM 203 CB ASN A 16 -10.716 0.917 -4.700 1.00 0.00 C ATOM 204 CG ASN A 16 -11.150 0.770 -6.145 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.839 -0.225 -6.799 1.00 0.00 O ATOM 206 ND2 ASN A 16 -11.870 1.764 -6.651 1.00 0.00 N ATOM 0 H ASN A 16 -8.562 1.120 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.262 0.167 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.546 0.651 -4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.475 1.961 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.189 1.722 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.105 2.570 -6.072 1.00 0.00 H new ATOM 213 N HIS A 17 -10.839 -1.930 -3.905 1.00 0.00 N ATOM 214 CA HIS A 17 -11.256 -3.320 -4.054 1.00 0.00 C ATOM 215 C HIS A 17 -11.670 -3.612 -5.493 1.00 0.00 C ATOM 216 O HIS A 17 -11.315 -4.649 -6.054 1.00 0.00 O ATOM 217 CB HIS A 17 -12.412 -3.632 -3.105 1.00 0.00 C ATOM 218 CG HIS A 17 -13.658 -2.855 -3.401 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.727 -3.382 -4.095 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.002 -1.582 -3.094 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.674 -2.467 -4.201 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.258 -1.366 -3.602 1.00 0.00 N ATOM 0 H HIS A 17 -11.378 -1.399 -3.221 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.408 -3.957 -3.803 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.637 -4.697 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.098 -3.423 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.400 -0.869 -2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.626 -2.597 -4.694 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.785 -0.496 -3.529 1.00 0.00 H new ATOM 231 N ASP A 18 -12.423 -2.692 -6.085 1.00 0.00 N ATOM 232 CA ASP A 18 -12.886 -2.850 -7.459 1.00 0.00 C ATOM 233 C ASP A 18 -11.746 -2.617 -8.447 1.00 0.00 C ATOM 234 O ASP A 18 -11.951 -2.633 -9.660 1.00 0.00 O ATOM 235 CB ASP A 18 -14.033 -1.880 -7.748 1.00 0.00 C ATOM 236 CG ASP A 18 -14.676 -2.131 -9.099 1.00 0.00 C ATOM 237 OD1 ASP A 18 -15.567 -3.001 -9.179 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.287 -1.455 -10.073 1.00 0.00 O ATOM 0 H ASP A 18 -12.726 -1.828 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.245 -3.872 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.788 -1.971 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.658 -0.857 -7.711 1.00 0.00 H new ATOM 243 N ARG A 19 -10.546 -2.401 -7.917 1.00 0.00 N ATOM 244 CA ARG A 19 -9.375 -2.164 -8.752 1.00 0.00 C ATOM 245 C ARG A 19 -9.693 -1.170 -9.865 1.00 0.00 C ATOM 246 O ARG A 19 -9.305 -1.366 -11.017 1.00 0.00 O ATOM 247 CB ARG A 19 -8.876 -3.478 -9.354 1.00 0.00 C ATOM 248 CG ARG A 19 -8.008 -4.291 -8.409 1.00 0.00 C ATOM 249 CD ARG A 19 -7.364 -5.472 -9.118 1.00 0.00 C ATOM 250 NE ARG A 19 -6.491 -5.045 -10.210 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.592 -5.836 -10.784 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.449 -7.089 -10.375 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.836 -5.375 -11.772 1.00 0.00 N ATOM 0 H ARG A 19 -10.360 -2.385 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.592 -1.741 -8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.734 -4.080 -9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.308 -3.261 -10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.232 -3.653 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.613 -4.651 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.788 -6.056 -8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.142 -6.127 -9.510 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.577 -4.087 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.030 -7.448 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.758 -7.694 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.945 -4.412 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.146 -5.983 -12.212 1.00 0.00 H new ATOM 267 N SER A 20 -10.403 -0.102 -9.513 1.00 0.00 N ATOM 268 CA SER A 20 -10.778 0.920 -10.483 1.00 0.00 C ATOM 269 C SER A 20 -10.127 2.257 -10.142 1.00 0.00 C ATOM 270 O SER A 20 -9.952 3.114 -11.008 1.00 0.00 O ATOM 271 CB SER A 20 -12.298 1.077 -10.528 1.00 0.00 C ATOM 272 OG SER A 20 -12.667 2.297 -11.149 1.00 0.00 O ATOM 0 H SER A 20 -10.730 0.077 -8.564 1.00 0.00 H new ATOM 0 HA SER A 20 -10.424 0.603 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.737 0.241 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.700 1.045 -9.515 1.00 0.00 H new ATOM 0 HG SER A 20 -13.644 2.373 -11.167 1.00 0.00 H new ATOM 278 N SER A 21 -9.769 2.427 -8.873 1.00 0.00 N ATOM 279 CA SER A 21 -9.141 3.661 -8.414 1.00 0.00 C ATOM 280 C SER A 21 -7.625 3.508 -8.351 1.00 0.00 C ATOM 281 O SER A 21 -7.108 2.402 -8.189 1.00 0.00 O ATOM 282 CB SER A 21 -9.683 4.054 -7.039 1.00 0.00 C ATOM 283 OG SER A 21 -11.073 4.324 -7.096 1.00 0.00 O ATOM 0 H SER A 21 -9.903 1.726 -8.144 1.00 0.00 H new ATOM 0 HA SER A 21 -9.380 4.448 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.495 3.250 -6.327 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.153 4.934 -6.674 1.00 0.00 H new ATOM 0 HG SER A 21 -11.395 4.571 -6.204 1.00 0.00 H new ATOM 289 N ARG A 22 -6.917 4.624 -8.482 1.00 0.00 N ATOM 290 CA ARG A 22 -5.460 4.615 -8.441 1.00 0.00 C ATOM 291 C ARG A 22 -4.928 5.855 -7.728 1.00 0.00 C ATOM 292 O ARG A 22 -5.112 6.979 -8.195 1.00 0.00 O ATOM 293 CB ARG A 22 -4.889 4.546 -9.859 1.00 0.00 C ATOM 294 CG ARG A 22 -5.376 3.345 -10.653 1.00 0.00 C ATOM 295 CD ARG A 22 -5.380 3.628 -12.147 1.00 0.00 C ATOM 296 NE ARG A 22 -6.649 4.199 -12.593 1.00 0.00 N ATOM 297 CZ ARG A 22 -7.736 3.474 -12.830 1.00 0.00 C ATOM 298 NH1 ARG A 22 -7.710 2.159 -12.666 1.00 0.00 N ATOM 299 NH2 ARG A 22 -8.853 4.066 -13.234 1.00 0.00 N ATOM 0 H ARG A 22 -7.329 5.547 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.143 3.733 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.156 5.457 -10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.801 4.517 -9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.736 2.487 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.382 3.078 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.569 4.315 -12.388 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.187 2.704 -12.692 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.703 5.208 -12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.853 1.700 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.547 1.606 -12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.876 5.078 -13.362 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.688 3.509 -13.416 1.00 0.00 H new ATOM 313 N ARG A 23 -4.270 5.641 -6.594 1.00 0.00 N ATOM 314 CA ARG A 23 -3.712 6.741 -5.815 1.00 0.00 C ATOM 315 C ARG A 23 -2.244 6.487 -5.487 1.00 0.00 C ATOM 316 O ARG A 23 -1.873 5.391 -5.069 1.00 0.00 O ATOM 317 CB ARG A 23 -4.509 6.935 -4.524 1.00 0.00 C ATOM 318 CG ARG A 23 -4.513 8.368 -4.018 1.00 0.00 C ATOM 319 CD ARG A 23 -3.246 8.688 -3.241 1.00 0.00 C ATOM 320 NE ARG A 23 -2.874 10.096 -3.354 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.602 11.090 -2.859 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.735 10.833 -2.219 1.00 0.00 N ATOM 323 NH2 ARG A 23 -3.198 12.345 -3.004 1.00 0.00 N ATOM 0 H ARG A 23 -4.110 4.717 -6.194 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.779 7.648 -6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.538 6.615 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.095 6.287 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.607 9.052 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.382 8.527 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.391 8.435 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.429 8.067 -3.608 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.008 10.328 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.050 9.869 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.292 11.599 -1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.328 12.547 -3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.758 13.108 -2.624 1.00 0.00 H new ATOM 337 N GLY A 24 -1.414 7.507 -5.679 1.00 0.00 N ATOM 338 CA GLY A 24 0.004 7.372 -5.400 1.00 0.00 C ATOM 339 C GLY A 24 0.402 8.032 -4.094 1.00 0.00 C ATOM 340 O GLY A 24 0.398 9.258 -3.983 1.00 0.00 O ATOM 0 H GLY A 24 -1.698 8.424 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.265 6.314 -5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.576 7.814 -6.216 1.00 0.00 H new ATOM 344 N VAL A 25 0.745 7.218 -3.102 1.00 0.00 N ATOM 345 CA VAL A 25 1.147 7.729 -1.796 1.00 0.00 C ATOM 346 C VAL A 25 2.601 7.385 -1.496 1.00 0.00 C ATOM 347 O VAL A 25 3.087 6.316 -1.868 1.00 0.00 O ATOM 348 CB VAL A 25 0.256 7.166 -0.675 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.523 7.893 0.635 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.212 7.268 -1.059 1.00 0.00 C ATOM 0 H VAL A 25 0.753 6.201 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 25 1.033 8.812 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 25 0.500 6.113 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.116 7.482 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.568 7.764 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.308 8.955 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.827 6.865 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.472 8.313 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.390 6.699 -1.972 1.00 0.00 H new ATOM 360 N MET A 26 3.292 8.296 -0.819 1.00 0.00 N ATOM 361 CA MET A 26 4.691 8.088 -0.466 1.00 0.00 C ATOM 362 C MET A 26 4.863 7.989 1.046 1.00 0.00 C ATOM 363 O MET A 26 4.375 8.839 1.792 1.00 0.00 O ATOM 364 CB MET A 26 5.553 9.227 -1.015 1.00 0.00 C ATOM 365 CG MET A 26 5.257 10.575 -0.378 1.00 0.00 C ATOM 366 SD MET A 26 6.378 11.870 -0.941 1.00 0.00 S ATOM 367 CE MET A 26 7.938 10.991 -0.942 1.00 0.00 C ATOM 0 H MET A 26 2.906 9.186 -0.504 1.00 0.00 H new ATOM 0 HA MET A 26 5.015 7.148 -0.913 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.604 8.984 -0.859 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.399 9.302 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.231 10.863 -0.607 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.328 10.484 0.706 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.739 11.671 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.890 10.163 -0.235 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.137 10.603 -1.941 1.00 0.00 H new ATOM 377 N ALA A 27 5.557 6.949 1.493 1.00 0.00 N ATOM 378 CA ALA A 27 5.793 6.740 2.916 1.00 0.00 C ATOM 379 C ALA A 27 7.164 6.119 3.160 1.00 0.00 C ATOM 380 O ALA A 27 7.718 5.452 2.287 1.00 0.00 O ATOM 381 CB ALA A 27 4.700 5.864 3.510 1.00 0.00 C ATOM 0 H ALA A 27 5.967 6.236 0.889 1.00 0.00 H new ATOM 0 HA ALA A 27 5.771 7.712 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.890 5.717 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.733 6.349 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.693 4.898 3.005 1.00 0.00 H new ATOM 387 N SER A 28 7.705 6.341 4.354 1.00 0.00 N ATOM 388 CA SER A 28 9.013 5.807 4.711 1.00 0.00 C ATOM 389 C SER A 28 8.894 4.372 5.218 1.00 0.00 C ATOM 390 O SER A 28 9.799 3.559 5.031 1.00 0.00 O ATOM 391 CB SER A 28 9.671 6.683 5.779 1.00 0.00 C ATOM 392 OG SER A 28 8.977 6.594 7.011 1.00 0.00 O ATOM 0 H SER A 28 7.257 6.887 5.090 1.00 0.00 H new ATOM 0 HA SER A 28 9.635 5.808 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.707 6.375 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.689 7.720 5.443 1.00 0.00 H new ATOM 0 HG SER A 28 8.066 6.937 6.899 1.00 0.00 H new ATOM 398 N SER A 29 7.770 4.070 5.859 1.00 0.00 N ATOM 399 CA SER A 29 7.532 2.735 6.396 1.00 0.00 C ATOM 400 C SER A 29 6.155 2.222 5.986 1.00 0.00 C ATOM 401 O SER A 29 5.431 2.881 5.240 1.00 0.00 O ATOM 402 CB SER A 29 7.651 2.747 7.922 1.00 0.00 C ATOM 403 OG SER A 29 8.634 3.674 8.350 1.00 0.00 O ATOM 0 H SER A 29 7.010 4.731 6.019 1.00 0.00 H new ATOM 0 HA SER A 29 8.287 2.065 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.688 3.004 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.908 1.749 8.278 1.00 0.00 H new ATOM 0 HG SER A 29 8.689 3.664 9.328 1.00 0.00 H new ATOM 409 N LEU A 30 5.800 1.040 6.480 1.00 0.00 N ATOM 410 CA LEU A 30 4.510 0.436 6.166 1.00 0.00 C ATOM 411 C LEU A 30 3.382 1.144 6.909 1.00 0.00 C ATOM 412 O LEU A 30 2.414 1.597 6.299 1.00 0.00 O ATOM 413 CB LEU A 30 4.519 -1.051 6.527 1.00 0.00 C ATOM 414 CG LEU A 30 3.153 -1.736 6.586 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.641 -2.025 5.182 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.234 -3.017 7.401 1.00 0.00 C ATOM 0 H LEU A 30 6.387 0.482 7.099 1.00 0.00 H new ATOM 0 HA LEU A 30 4.338 0.543 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.136 -1.577 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.003 -1.166 7.497 1.00 0.00 H new ATOM 0 HG LEU A 30 2.450 -1.062 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.668 -2.513 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.545 -1.090 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.343 -2.680 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.253 -3.491 7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.951 -3.697 6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.556 -2.783 8.416 1.00 0.00 H new ATOM 428 N GLN A 31 3.517 1.239 8.228 1.00 0.00 N ATOM 429 CA GLN A 31 2.509 1.894 9.053 1.00 0.00 C ATOM 430 C GLN A 31 2.157 3.269 8.494 1.00 0.00 C ATOM 431 O GLN A 31 0.985 3.633 8.409 1.00 0.00 O ATOM 432 CB GLN A 31 3.007 2.027 10.493 1.00 0.00 C ATOM 433 CG GLN A 31 1.997 2.673 11.429 1.00 0.00 C ATOM 434 CD GLN A 31 0.937 1.700 11.907 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.243 0.708 12.570 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.317 1.978 11.573 1.00 0.00 N ATOM 0 H GLN A 31 4.314 0.871 8.748 1.00 0.00 H new ATOM 0 HA GLN A 31 1.610 1.278 9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.262 1.038 10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.924 2.616 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.520 3.087 12.291 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.515 3.507 10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.525 2.811 11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.072 1.359 11.867 1.00 0.00 H new ATOM 445 N GLU A 32 3.182 4.028 8.116 1.00 0.00 N ATOM 446 CA GLU A 32 2.980 5.363 7.566 1.00 0.00 C ATOM 447 C GLU A 32 2.050 5.319 6.358 1.00 0.00 C ATOM 448 O GLU A 32 1.071 6.064 6.286 1.00 0.00 O ATOM 449 CB GLU A 32 4.322 5.983 7.171 1.00 0.00 C ATOM 450 CG GLU A 32 4.190 7.341 6.500 1.00 0.00 C ATOM 451 CD GLU A 32 5.413 8.214 6.704 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.539 7.715 6.498 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.244 9.395 7.072 1.00 0.00 O ATOM 0 H GLU A 32 4.159 3.741 8.181 1.00 0.00 H new ATOM 0 HA GLU A 32 2.516 5.980 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.942 6.086 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.843 5.303 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.023 7.200 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.313 7.853 6.895 1.00 0.00 H new ATOM 460 N LEU A 33 2.365 4.445 5.409 1.00 0.00 N ATOM 461 CA LEU A 33 1.558 4.303 4.201 1.00 0.00 C ATOM 462 C LEU A 33 0.109 3.976 4.549 1.00 0.00 C ATOM 463 O LEU A 33 -0.791 4.785 4.320 1.00 0.00 O ATOM 464 CB LEU A 33 2.138 3.210 3.302 1.00 0.00 C ATOM 465 CG LEU A 33 1.363 2.916 2.018 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.320 1.835 2.260 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.707 4.183 1.488 1.00 0.00 C ATOM 0 H LEU A 33 3.173 3.824 5.452 1.00 0.00 H new ATOM 0 HA LEU A 33 1.578 5.253 3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.156 3.492 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.205 2.289 3.881 1.00 0.00 H new ATOM 0 HG LEU A 33 2.066 2.554 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.222 1.639 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.813 0.922 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.379 2.169 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.160 3.954 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.017 4.575 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.474 4.928 1.275 1.00 0.00 H new ATOM 479 N ILE A 34 -0.106 2.789 5.103 1.00 0.00 N ATOM 480 CA ILE A 34 -1.446 2.358 5.486 1.00 0.00 C ATOM 481 C ILE A 34 -2.276 3.530 5.997 1.00 0.00 C ATOM 482 O ILE A 34 -3.328 3.848 5.443 1.00 0.00 O ATOM 483 CB ILE A 34 -1.397 1.265 6.570 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.952 -0.067 5.963 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.757 1.121 7.238 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.601 -1.115 6.996 1.00 0.00 C ATOM 0 H ILE A 34 0.628 2.108 5.297 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.914 1.949 4.591 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.670 1.558 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.748 -0.450 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.086 0.106 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.707 0.345 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.037 2.067 7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.502 0.847 6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.295 -2.033 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.216 -0.752 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.472 -1.316 7.620 1.00 0.00 H new ATOM 498 N SER A 35 -1.795 4.169 7.059 1.00 0.00 N ATOM 499 CA SER A 35 -2.493 5.306 7.647 1.00 0.00 C ATOM 500 C SER A 35 -2.795 6.366 6.591 1.00 0.00 C ATOM 501 O SER A 35 -3.878 6.949 6.571 1.00 0.00 O ATOM 502 CB SER A 35 -1.658 5.917 8.775 1.00 0.00 C ATOM 503 OG SER A 35 -0.736 6.866 8.269 1.00 0.00 O ATOM 0 H SER A 35 -0.925 3.919 7.529 1.00 0.00 H new ATOM 0 HA SER A 35 -3.437 4.947 8.056 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.316 6.395 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.121 5.129 9.302 1.00 0.00 H new ATOM 0 HG SER A 35 -0.151 6.435 7.611 1.00 0.00 H new ATOM 509 N LYS A 36 -1.826 6.609 5.714 1.00 0.00 N ATOM 510 CA LYS A 36 -1.986 7.596 4.653 1.00 0.00 C ATOM 511 C LYS A 36 -3.086 7.179 3.682 1.00 0.00 C ATOM 512 O LYS A 36 -4.048 7.917 3.464 1.00 0.00 O ATOM 513 CB LYS A 36 -0.668 7.781 3.897 1.00 0.00 C ATOM 514 CG LYS A 36 0.222 8.864 4.481 1.00 0.00 C ATOM 515 CD LYS A 36 1.174 9.425 3.438 1.00 0.00 C ATOM 516 CE LYS A 36 2.052 10.524 4.019 1.00 0.00 C ATOM 517 NZ LYS A 36 1.315 11.810 4.151 1.00 0.00 N ATOM 0 H LYS A 36 -0.922 6.136 5.717 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.271 8.542 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.124 6.837 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.886 8.024 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.396 9.668 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.793 8.456 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.802 8.624 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.603 9.820 2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.421 10.215 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.923 10.669 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.947 12.533 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.984 12.118 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.498 11.679 4.781 1.00 0.00 H new ATOM 531 N THR A 37 -2.940 5.991 3.104 1.00 0.00 N ATOM 532 CA THR A 37 -3.922 5.476 2.158 1.00 0.00 C ATOM 533 C THR A 37 -5.339 5.840 2.583 1.00 0.00 C ATOM 534 O THR A 37 -6.094 6.440 1.818 1.00 0.00 O ATOM 535 CB THR A 37 -3.817 3.946 2.016 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.468 3.574 1.713 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.746 3.439 0.924 1.00 0.00 C ATOM 0 H THR A 37 -2.151 5.367 3.274 1.00 0.00 H new ATOM 0 HA THR A 37 -3.705 5.938 1.195 1.00 0.00 H new ATOM 0 HB THR A 37 -4.114 3.494 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.409 2.600 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.654 2.356 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.775 3.698 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.475 3.899 -0.026 1.00 0.00 H new ATOM 545 N LEU A 38 -5.696 5.474 3.809 1.00 0.00 N ATOM 546 CA LEU A 38 -7.025 5.762 4.338 1.00 0.00 C ATOM 547 C LEU A 38 -7.434 7.200 4.030 1.00 0.00 C ATOM 548 O LEU A 38 -8.529 7.449 3.528 1.00 0.00 O ATOM 549 CB LEU A 38 -7.057 5.524 5.849 1.00 0.00 C ATOM 550 CG LEU A 38 -7.173 4.067 6.296 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.511 3.870 7.651 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.632 3.639 6.346 1.00 0.00 C ATOM 0 H LEU A 38 -5.084 4.977 4.456 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.734 5.090 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.150 5.945 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.897 6.079 6.266 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.657 3.442 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.604 2.827 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.456 4.136 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.998 4.506 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.695 2.599 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.172 4.270 7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.075 3.741 5.356 1.00 0.00 H new ATOM 564 N ASP A 39 -6.544 8.139 4.331 1.00 0.00 N ATOM 565 CA ASP A 39 -6.811 9.551 4.084 1.00 0.00 C ATOM 566 C ASP A 39 -6.906 9.831 2.588 1.00 0.00 C ATOM 567 O ASP A 39 -7.722 10.640 2.148 1.00 0.00 O ATOM 568 CB ASP A 39 -5.716 10.416 4.709 1.00 0.00 C ATOM 569 CG ASP A 39 -6.022 10.790 6.146 1.00 0.00 C ATOM 570 OD1 ASP A 39 -5.815 9.941 7.038 1.00 0.00 O ATOM 571 OD2 ASP A 39 -6.469 11.933 6.379 1.00 0.00 O ATOM 0 H ASP A 39 -5.632 7.948 4.746 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.767 9.801 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.768 9.880 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.593 11.324 4.119 1.00 0.00 H new ATOM 576 N ALA A 40 -6.063 9.159 1.810 1.00 0.00 N ATOM 577 CA ALA A 40 -6.053 9.335 0.363 1.00 0.00 C ATOM 578 C ALA A 40 -7.392 8.937 -0.248 1.00 0.00 C ATOM 579 O ALA A 40 -8.053 9.746 -0.901 1.00 0.00 O ATOM 580 CB ALA A 40 -4.925 8.525 -0.259 1.00 0.00 C ATOM 0 H ALA A 40 -5.378 8.488 2.158 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.887 10.391 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.929 8.666 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.970 8.860 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.066 7.469 -0.030 1.00 0.00 H new ATOM 586 N LEU A 41 -7.786 7.687 -0.034 1.00 0.00 N ATOM 587 CA LEU A 41 -9.048 7.181 -0.564 1.00 0.00 C ATOM 588 C LEU A 41 -10.219 7.612 0.312 1.00 0.00 C ATOM 589 O LEU A 41 -11.347 7.156 0.127 1.00 0.00 O ATOM 590 CB LEU A 41 -9.006 5.655 -0.665 1.00 0.00 C ATOM 591 CG LEU A 41 -8.106 5.080 -1.760 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.578 3.713 -1.352 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.860 4.990 -3.079 1.00 0.00 C ATOM 0 H LEU A 41 -7.250 7.005 0.503 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.190 7.601 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.677 5.256 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.021 5.293 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.257 5.750 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.940 3.319 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.001 3.806 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.415 3.034 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.204 4.579 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.728 4.342 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.189 5.985 -3.379 1.00 0.00 H new ATOM 605 N VAL A 42 -9.944 8.496 1.265 1.00 0.00 N ATOM 606 CA VAL A 42 -10.976 8.992 2.169 1.00 0.00 C ATOM 607 C VAL A 42 -11.982 7.898 2.508 1.00 0.00 C ATOM 608 O VAL A 42 -13.185 8.149 2.586 1.00 0.00 O ATOM 609 CB VAL A 42 -11.725 10.193 1.561 1.00 0.00 C ATOM 610 CG1 VAL A 42 -10.768 11.347 1.307 1.00 0.00 C ATOM 611 CG2 VAL A 42 -12.433 9.784 0.278 1.00 0.00 C ATOM 0 H VAL A 42 -9.015 8.884 1.432 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.471 9.312 3.080 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.478 10.528 2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.316 12.186 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.312 11.655 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.990 11.028 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.957 10.644 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.700 9.422 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.150 8.992 0.495 1.00 0.00 H new ATOM 621 N ILE A 43 -11.483 6.684 2.708 1.00 0.00 N ATOM 622 CA ILE A 43 -12.337 5.551 3.040 1.00 0.00 C ATOM 623 C ILE A 43 -13.309 5.905 4.160 1.00 0.00 C ATOM 624 O ILE A 43 -12.987 6.695 5.047 1.00 0.00 O ATOM 625 CB ILE A 43 -11.508 4.325 3.463 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.610 3.866 2.313 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.424 3.194 3.910 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.510 2.922 2.744 1.00 0.00 C ATOM 0 H ILE A 43 -10.490 6.459 2.646 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.899 5.305 2.139 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.874 4.608 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.224 3.375 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.163 4.741 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.823 2.334 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.025 3.526 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.081 2.911 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.913 2.638 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.873 3.417 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.950 2.030 3.189 1.00 0.00 H new ATOM 640 N ALA A 44 -14.498 5.315 4.112 1.00 0.00 N ATOM 641 CA ALA A 44 -15.516 5.565 5.126 1.00 0.00 C ATOM 642 C ALA A 44 -15.054 5.089 6.499 1.00 0.00 C ATOM 643 O ALA A 44 -14.932 5.880 7.434 1.00 0.00 O ATOM 644 CB ALA A 44 -16.823 4.886 4.742 1.00 0.00 C ATOM 0 H ALA A 44 -14.781 4.661 3.382 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.681 6.641 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.573 5.081 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.170 5.278 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.663 3.811 4.656 1.00 0.00 H new ATOM 650 N THR A 45 -14.798 3.789 6.613 1.00 0.00 N ATOM 651 CA THR A 45 -14.350 3.206 7.873 1.00 0.00 C ATOM 652 C THR A 45 -12.836 3.036 7.891 1.00 0.00 C ATOM 653 O THR A 45 -12.203 2.900 6.845 1.00 0.00 O ATOM 654 CB THR A 45 -15.013 1.839 8.125 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.617 1.332 9.405 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.632 0.844 7.040 1.00 0.00 C ATOM 0 H THR A 45 -14.893 3.120 5.849 1.00 0.00 H new ATOM 0 HA THR A 45 -14.644 3.895 8.664 1.00 0.00 H new ATOM 0 HB THR A 45 -16.094 1.975 8.107 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.044 0.463 9.559 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.112 -0.114 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.960 1.219 6.071 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.550 0.712 7.031 1.00 0.00 H new ATOM 664 N GLY A 46 -12.258 3.042 9.089 1.00 0.00 N ATOM 665 CA GLY A 46 -10.823 2.886 9.222 1.00 0.00 C ATOM 666 C GLY A 46 -10.389 1.435 9.172 1.00 0.00 C ATOM 667 O GLY A 46 -9.349 1.109 8.599 1.00 0.00 O ATOM 0 H GLY A 46 -12.760 3.152 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.325 3.438 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.499 3.326 10.165 1.00 0.00 H new ATOM 671 N LEU A 47 -11.187 0.560 9.774 1.00 0.00 N ATOM 672 CA LEU A 47 -10.880 -0.866 9.797 1.00 0.00 C ATOM 673 C LEU A 47 -10.693 -1.406 8.383 1.00 0.00 C ATOM 674 O LEU A 47 -11.665 -1.686 7.681 1.00 0.00 O ATOM 675 CB LEU A 47 -11.995 -1.636 10.506 1.00 0.00 C ATOM 676 CG LEU A 47 -11.659 -3.066 10.930 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.907 -3.788 9.823 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.845 -3.064 12.216 1.00 0.00 C ATOM 0 H LEU A 47 -12.051 0.813 10.253 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.947 -1.003 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.289 -1.075 11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.863 -1.668 9.847 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.592 -3.598 11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.676 -4.804 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.525 -3.821 8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.980 -3.257 9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.615 -4.090 12.503 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.917 -2.515 12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.419 -2.586 13.009 1.00 0.00 H new ATOM 690 N VAL A 48 -9.438 -1.551 7.971 1.00 0.00 N ATOM 691 CA VAL A 48 -9.123 -2.061 6.643 1.00 0.00 C ATOM 692 C VAL A 48 -7.904 -2.975 6.679 1.00 0.00 C ATOM 693 O VAL A 48 -7.242 -3.106 7.710 1.00 0.00 O ATOM 694 CB VAL A 48 -8.861 -0.913 5.649 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.109 -0.061 5.477 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.686 -0.067 6.111 1.00 0.00 C ATOM 0 H VAL A 48 -8.622 -1.322 8.539 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.990 -2.631 6.309 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.609 -1.344 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.905 0.745 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.922 -0.679 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.395 0.363 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.515 0.739 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.906 0.357 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.793 -0.689 6.177 1.00 0.00 H new ATOM 706 N THR A 49 -7.610 -3.607 5.547 1.00 0.00 N ATOM 707 CA THR A 49 -6.470 -4.510 5.448 1.00 0.00 C ATOM 708 C THR A 49 -5.689 -4.270 4.162 1.00 0.00 C ATOM 709 O THR A 49 -6.232 -4.388 3.062 1.00 0.00 O ATOM 710 CB THR A 49 -6.916 -5.984 5.499 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.494 -6.277 6.776 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.738 -6.913 5.245 1.00 0.00 C ATOM 0 H THR A 49 -8.146 -3.510 4.685 1.00 0.00 H new ATOM 0 HA THR A 49 -5.827 -4.303 6.303 1.00 0.00 H new ATOM 0 HB THR A 49 -7.660 -6.144 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.776 -7.215 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.076 -7.949 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.318 -6.707 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.975 -6.750 6.007 1.00 0.00 H new ATOM 720 N LEU A 50 -4.411 -3.936 4.304 1.00 0.00 N ATOM 721 CA LEU A 50 -3.554 -3.681 3.152 1.00 0.00 C ATOM 722 C LEU A 50 -2.844 -4.956 2.708 1.00 0.00 C ATOM 723 O LEU A 50 -2.220 -5.646 3.517 1.00 0.00 O ATOM 724 CB LEU A 50 -2.523 -2.601 3.488 1.00 0.00 C ATOM 725 CG LEU A 50 -1.879 -1.894 2.293 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.840 -0.880 1.693 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.580 -1.221 2.711 1.00 0.00 C ATOM 0 H LEU A 50 -3.945 -3.835 5.206 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.183 -3.333 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.004 -1.849 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.732 -3.055 4.086 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.650 -2.640 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.366 -0.387 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.744 -1.389 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.101 -0.136 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.135 -0.723 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.785 -0.486 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.112 -1.971 3.094 1.00 0.00 H new ATOM 739 N VAL A 51 -2.942 -5.265 1.419 1.00 0.00 N ATOM 740 CA VAL A 51 -2.307 -6.455 0.867 1.00 0.00 C ATOM 741 C VAL A 51 -1.683 -6.164 -0.494 1.00 0.00 C ATOM 742 O VAL A 51 -1.913 -5.106 -1.081 1.00 0.00 O ATOM 743 CB VAL A 51 -3.313 -7.612 0.722 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.986 -7.904 2.054 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.346 -7.288 -0.347 1.00 0.00 C ATOM 0 H VAL A 51 -3.456 -4.707 0.737 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.525 -6.750 1.566 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.771 -8.506 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.693 -8.724 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.231 -8.182 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.516 -7.015 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.049 -8.116 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.885 -6.382 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.845 -7.133 -1.302 1.00 0.00 H new ATOM 755 N LEU A 52 -0.894 -7.111 -0.990 1.00 0.00 N ATOM 756 CA LEU A 52 -0.237 -6.958 -2.284 1.00 0.00 C ATOM 757 C LEU A 52 -1.231 -7.145 -3.426 1.00 0.00 C ATOM 758 O LEU A 52 -1.988 -8.116 -3.448 1.00 0.00 O ATOM 759 CB LEU A 52 0.908 -7.963 -2.419 1.00 0.00 C ATOM 760 CG LEU A 52 2.051 -7.817 -1.413 1.00 0.00 C ATOM 761 CD1 LEU A 52 3.075 -8.925 -1.604 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.709 -6.451 -1.548 1.00 0.00 C ATOM 0 H LEU A 52 -0.694 -7.992 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 52 0.167 -5.947 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.496 -8.968 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.322 -7.879 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 52 1.638 -7.902 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.881 -8.805 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.596 -9.893 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.484 -8.873 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.520 -6.365 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.108 -6.337 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.971 -5.671 -1.360 1.00 0.00 H new ATOM 774 N GLU A 53 -1.221 -6.212 -4.372 1.00 0.00 N ATOM 775 CA GLU A 53 -2.121 -6.277 -5.517 1.00 0.00 C ATOM 776 C GLU A 53 -1.638 -7.310 -6.531 1.00 0.00 C ATOM 777 O GLU A 53 -2.172 -7.408 -7.635 1.00 0.00 O ATOM 778 CB GLU A 53 -2.232 -4.905 -6.185 1.00 0.00 C ATOM 779 CG GLU A 53 -3.572 -4.664 -6.861 1.00 0.00 C ATOM 780 CD GLU A 53 -3.514 -3.550 -7.889 1.00 0.00 C ATOM 781 OE1 GLU A 53 -2.925 -2.493 -7.584 1.00 0.00 O ATOM 782 OE2 GLU A 53 -4.057 -3.737 -8.998 1.00 0.00 O ATOM 0 H GLU A 53 -0.600 -5.403 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.104 -6.579 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.068 -4.131 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.438 -4.805 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.901 -5.583 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.317 -4.417 -6.105 1.00 0.00 H new ATOM 789 N GLU A 54 -0.625 -8.079 -6.146 1.00 0.00 N ATOM 790 CA GLU A 54 -0.069 -9.104 -7.021 1.00 0.00 C ATOM 791 C GLU A 54 -0.632 -10.480 -6.675 1.00 0.00 C ATOM 792 O GLU A 54 -1.152 -11.185 -7.539 1.00 0.00 O ATOM 793 CB GLU A 54 1.457 -9.124 -6.916 1.00 0.00 C ATOM 794 CG GLU A 54 1.979 -8.686 -5.558 1.00 0.00 C ATOM 795 CD GLU A 54 3.493 -8.729 -5.474 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.052 -9.844 -5.402 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.118 -7.649 -5.479 1.00 0.00 O ATOM 0 H GLU A 54 -0.173 -8.012 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.352 -8.862 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.814 -10.132 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.874 -8.472 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.636 -7.672 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.557 -9.330 -4.786 1.00 0.00 H new ATOM 804 N ASP A 55 -0.522 -10.854 -5.405 1.00 0.00 N ATOM 805 CA ASP A 55 -1.020 -12.144 -4.942 1.00 0.00 C ATOM 806 C ASP A 55 -1.998 -11.966 -3.785 1.00 0.00 C ATOM 807 O ASP A 55 -2.586 -12.933 -3.302 1.00 0.00 O ATOM 808 CB ASP A 55 0.144 -13.038 -4.509 1.00 0.00 C ATOM 809 CG ASP A 55 -0.325 -14.326 -3.861 1.00 0.00 C ATOM 810 OD1 ASP A 55 -0.583 -15.301 -4.598 1.00 0.00 O ATOM 811 OD2 ASP A 55 -0.435 -14.359 -2.619 1.00 0.00 O ATOM 0 H ASP A 55 -0.092 -10.282 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.547 -12.620 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.759 -13.275 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.777 -12.492 -3.809 1.00 0.00 H new ATOM 816 N GLY A 56 -2.167 -10.723 -3.346 1.00 0.00 N ATOM 817 CA GLY A 56 -3.074 -10.441 -2.248 1.00 0.00 C ATOM 818 C GLY A 56 -2.515 -10.873 -0.908 1.00 0.00 C ATOM 819 O GLY A 56 -3.257 -11.308 -0.026 1.00 0.00 O ATOM 0 H GLY A 56 -1.692 -9.906 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.286 -9.372 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.022 -10.950 -2.424 1.00 0.00 H new ATOM 823 N THR A 57 -1.200 -10.756 -0.751 1.00 0.00 N ATOM 824 CA THR A 57 -0.540 -11.142 0.490 1.00 0.00 C ATOM 825 C THR A 57 -0.569 -10.003 1.504 1.00 0.00 C ATOM 826 O THR A 57 -0.116 -8.895 1.221 1.00 0.00 O ATOM 827 CB THR A 57 0.922 -11.559 0.244 1.00 0.00 C ATOM 828 OG1 THR A 57 0.976 -12.599 -0.738 1.00 0.00 O ATOM 829 CG2 THR A 57 1.573 -12.036 1.534 1.00 0.00 C ATOM 0 H THR A 57 -0.571 -10.397 -1.469 1.00 0.00 H new ATOM 0 HA THR A 57 -1.090 -11.995 0.889 1.00 0.00 H new ATOM 0 HB THR A 57 1.469 -10.689 -0.119 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.067 -12.896 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.605 -12.325 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.557 -11.231 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.024 -12.894 1.923 1.00 0.00 H new ATOM 837 N VAL A 58 -1.104 -10.285 2.688 1.00 0.00 N ATOM 838 CA VAL A 58 -1.189 -9.284 3.746 1.00 0.00 C ATOM 839 C VAL A 58 0.196 -8.789 4.148 1.00 0.00 C ATOM 840 O VAL A 58 1.039 -9.567 4.594 1.00 0.00 O ATOM 841 CB VAL A 58 -1.904 -9.843 4.991 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.805 -8.862 6.148 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.358 -10.160 4.672 1.00 0.00 C ATOM 0 H VAL A 58 -1.485 -11.197 2.939 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.767 -8.451 3.347 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.411 -10.769 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.316 -9.274 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.756 -8.690 6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.272 -7.918 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.848 -10.554 5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.866 -9.251 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.402 -10.902 3.875 1.00 0.00 H new ATOM 853 N VAL A 59 0.424 -7.490 3.986 1.00 0.00 N ATOM 854 CA VAL A 59 1.707 -6.891 4.333 1.00 0.00 C ATOM 855 C VAL A 59 1.640 -6.198 5.690 1.00 0.00 C ATOM 856 O VAL A 59 1.303 -5.017 5.779 1.00 0.00 O ATOM 857 CB VAL A 59 2.156 -5.871 3.270 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.497 -5.259 3.649 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.230 -6.529 1.900 1.00 0.00 C ATOM 0 H VAL A 59 -0.263 -6.832 3.617 1.00 0.00 H new ATOM 0 HA VAL A 59 2.434 -7.702 4.377 1.00 0.00 H new ATOM 0 HB VAL A 59 1.418 -5.070 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.798 -4.541 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.407 -4.752 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.248 -6.046 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.549 -5.795 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.947 -7.350 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.247 -6.915 1.628 1.00 0.00 H new ATOM 869 N ASP A 60 1.962 -6.939 6.743 1.00 0.00 N ATOM 870 CA ASP A 60 1.940 -6.396 8.097 1.00 0.00 C ATOM 871 C ASP A 60 3.340 -6.392 8.704 1.00 0.00 C ATOM 872 O ASP A 60 3.502 -6.283 9.919 1.00 0.00 O ATOM 873 CB ASP A 60 0.991 -7.207 8.980 1.00 0.00 C ATOM 874 CG ASP A 60 0.416 -6.387 10.118 1.00 0.00 C ATOM 875 OD1 ASP A 60 0.093 -5.203 9.891 1.00 0.00 O ATOM 876 OD2 ASP A 60 0.290 -6.930 11.236 1.00 0.00 O ATOM 0 H ASP A 60 2.242 -7.918 6.686 1.00 0.00 H new ATOM 0 HA ASP A 60 1.583 -5.367 8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.177 -7.598 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.524 -8.066 9.388 1.00 0.00 H new ATOM 881 N THR A 61 4.350 -6.511 7.848 1.00 0.00 N ATOM 882 CA THR A 61 5.737 -6.523 8.298 1.00 0.00 C ATOM 883 C THR A 61 6.519 -5.359 7.703 1.00 0.00 C ATOM 884 O THR A 61 6.470 -5.119 6.496 1.00 0.00 O ATOM 885 CB THR A 61 6.437 -7.843 7.925 1.00 0.00 C ATOM 886 OG1 THR A 61 5.911 -8.345 6.692 1.00 0.00 O ATOM 887 CG2 THR A 61 6.255 -8.882 9.020 1.00 0.00 C ATOM 0 H THR A 61 4.234 -6.600 6.839 1.00 0.00 H new ATOM 0 HA THR A 61 5.718 -6.425 9.383 1.00 0.00 H new ATOM 0 HB THR A 61 7.502 -7.643 7.811 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.242 -9.255 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.758 -9.805 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.684 -8.509 9.950 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.192 -9.078 9.163 1.00 0.00 H new ATOM 895 N GLU A 62 7.241 -4.638 8.556 1.00 0.00 N ATOM 896 CA GLU A 62 8.034 -3.498 8.111 1.00 0.00 C ATOM 897 C GLU A 62 9.179 -3.950 7.210 1.00 0.00 C ATOM 898 O GLU A 62 9.436 -3.350 6.167 1.00 0.00 O ATOM 899 CB GLU A 62 8.589 -2.734 9.314 1.00 0.00 C ATOM 900 CG GLU A 62 9.018 -1.313 8.989 1.00 0.00 C ATOM 901 CD GLU A 62 9.613 -0.595 10.184 1.00 0.00 C ATOM 902 OE1 GLU A 62 10.313 -1.253 10.983 1.00 0.00 O ATOM 903 OE2 GLU A 62 9.380 0.624 10.321 1.00 0.00 O ATOM 0 H GLU A 62 7.293 -4.823 9.558 1.00 0.00 H new ATOM 0 HA GLU A 62 7.383 -2.837 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.831 -2.705 10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.443 -3.279 9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.750 -1.334 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.157 -0.752 8.625 1.00 0.00 H new ATOM 910 N GLU A 63 9.863 -5.013 7.621 1.00 0.00 N ATOM 911 CA GLU A 63 10.982 -5.546 6.851 1.00 0.00 C ATOM 912 C GLU A 63 10.527 -5.989 5.464 1.00 0.00 C ATOM 913 O GLU A 63 11.289 -5.932 4.499 1.00 0.00 O ATOM 914 CB GLU A 63 11.624 -6.722 7.589 1.00 0.00 C ATOM 915 CG GLU A 63 10.808 -8.002 7.521 1.00 0.00 C ATOM 916 CD GLU A 63 11.577 -9.211 8.018 1.00 0.00 C ATOM 917 OE1 GLU A 63 12.642 -9.513 7.442 1.00 0.00 O ATOM 918 OE2 GLU A 63 11.112 -9.855 8.982 1.00 0.00 O ATOM 0 H GLU A 63 9.663 -5.522 8.482 1.00 0.00 H new ATOM 0 HA GLU A 63 11.720 -4.752 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.612 -6.908 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.769 -6.449 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.902 -7.883 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.494 -8.174 6.492 1.00 0.00 H new ATOM 925 N PHE A 64 9.276 -6.432 5.371 1.00 0.00 N ATOM 926 CA PHE A 64 8.718 -6.888 4.104 1.00 0.00 C ATOM 927 C PHE A 64 8.270 -5.705 3.251 1.00 0.00 C ATOM 928 O PHE A 64 8.220 -5.793 2.024 1.00 0.00 O ATOM 929 CB PHE A 64 7.538 -7.830 4.351 1.00 0.00 C ATOM 930 CG PHE A 64 7.017 -8.477 3.100 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.889 -8.959 2.138 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.653 -8.604 2.886 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.413 -9.557 0.986 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.171 -9.200 1.737 1.00 0.00 C ATOM 935 CZ PHE A 64 6.051 -9.677 0.785 1.00 0.00 C ATOM 0 H PHE A 64 8.630 -6.484 6.159 1.00 0.00 H new ATOM 0 HA PHE A 64 9.497 -7.428 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.844 -8.607 5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.731 -7.272 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.954 -8.867 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.960 -8.233 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.104 -9.930 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.106 -9.293 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.676 -10.143 -0.114 1.00 0.00 H new ATOM 945 N PHE A 65 7.945 -4.598 3.910 1.00 0.00 N ATOM 946 CA PHE A 65 7.498 -3.397 3.213 1.00 0.00 C ATOM 947 C PHE A 65 8.688 -2.542 2.785 1.00 0.00 C ATOM 948 O PHE A 65 8.605 -1.787 1.817 1.00 0.00 O ATOM 949 CB PHE A 65 6.565 -2.579 4.109 1.00 0.00 C ATOM 950 CG PHE A 65 6.575 -1.109 3.800 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.689 -0.336 4.082 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.468 -0.501 3.230 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.700 1.017 3.799 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.473 0.852 2.944 1.00 0.00 C ATOM 955 CZ PHE A 65 6.591 1.612 3.229 1.00 0.00 C ATOM 0 H PHE A 65 7.983 -4.507 4.925 1.00 0.00 H new ATOM 0 HA PHE A 65 6.955 -3.706 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.548 -2.958 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.853 -2.725 5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.559 -0.795 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.591 -1.091 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.575 1.609 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.604 1.314 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.598 2.669 3.007 1.00 0.00 H new ATOM 965 N GLN A 66 9.792 -2.670 3.513 1.00 0.00 N ATOM 966 CA GLN A 66 10.998 -1.908 3.209 1.00 0.00 C ATOM 967 C GLN A 66 11.748 -2.524 2.032 1.00 0.00 C ATOM 968 O GLN A 66 12.672 -1.920 1.486 1.00 0.00 O ATOM 969 CB GLN A 66 11.912 -1.849 4.436 1.00 0.00 C ATOM 970 CG GLN A 66 11.381 -0.957 5.546 1.00 0.00 C ATOM 971 CD GLN A 66 11.727 0.504 5.337 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.413 0.861 4.378 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.254 1.359 6.236 1.00 0.00 N ATOM 0 H GLN A 66 9.877 -3.293 4.316 1.00 0.00 H new ATOM 0 HA GLN A 66 10.699 -0.896 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.049 -2.858 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.894 -1.489 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.298 -1.065 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.788 -1.290 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.690 1.020 7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.455 2.355 6.148 1.00 0.00 H new ATOM 982 N THR A 67 11.345 -3.730 1.645 1.00 0.00 N ATOM 983 CA THR A 67 11.978 -4.428 0.534 1.00 0.00 C ATOM 984 C THR A 67 11.244 -4.159 -0.775 1.00 0.00 C ATOM 985 O THR A 67 11.747 -4.471 -1.856 1.00 0.00 O ATOM 986 CB THR A 67 12.027 -5.948 0.779 1.00 0.00 C ATOM 987 OG1 THR A 67 10.698 -6.472 0.871 1.00 0.00 O ATOM 988 CG2 THR A 67 12.792 -6.265 2.055 1.00 0.00 C ATOM 0 H THR A 67 10.582 -4.244 2.086 1.00 0.00 H new ATOM 0 HA THR A 67 12.996 -4.046 0.461 1.00 0.00 H new ATOM 0 HB THR A 67 12.543 -6.413 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.142 -5.864 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.814 -7.344 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.812 -5.890 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.299 -5.788 2.903 1.00 0.00 H new ATOM 996 N LEU A 68 10.054 -3.579 -0.672 1.00 0.00 N ATOM 997 CA LEU A 68 9.250 -3.266 -1.849 1.00 0.00 C ATOM 998 C LEU A 68 9.786 -2.029 -2.562 1.00 0.00 C ATOM 999 O LEU A 68 10.086 -1.017 -1.930 1.00 0.00 O ATOM 1000 CB LEU A 68 7.790 -3.047 -1.449 1.00 0.00 C ATOM 1001 CG LEU A 68 7.137 -4.172 -0.647 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.759 -3.750 -0.160 1.00 0.00 C ATOM 1003 CD2 LEU A 68 7.043 -5.439 -1.485 1.00 0.00 C ATOM 0 H LEU A 68 9.624 -3.316 0.214 1.00 0.00 H new ATOM 0 HA LEU A 68 9.310 -4.111 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.728 -2.129 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.206 -2.888 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 68 7.759 -4.381 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.309 -4.564 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.852 -2.870 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.127 -3.514 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.576 -6.230 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.443 -5.244 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.043 -5.752 -1.784 1.00 0.00 H new ATOM 1015 N GLY A 69 9.903 -2.118 -3.883 1.00 0.00 N ATOM 1016 CA GLY A 69 10.400 -0.998 -4.661 1.00 0.00 C ATOM 1017 C GLY A 69 9.312 0.000 -5.003 1.00 0.00 C ATOM 1018 O GLY A 69 8.160 -0.378 -5.217 1.00 0.00 O ATOM 0 H GLY A 69 9.663 -2.946 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.189 -0.494 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.849 -1.370 -5.582 1.00 0.00 H new ATOM 1022 N ASP A 70 9.676 1.276 -5.052 1.00 0.00 N ATOM 1023 CA ASP A 70 8.722 2.332 -5.369 1.00 0.00 C ATOM 1024 C ASP A 70 7.747 1.876 -6.449 1.00 0.00 C ATOM 1025 O ASP A 70 8.053 0.986 -7.241 1.00 0.00 O ATOM 1026 CB ASP A 70 9.457 3.593 -5.827 1.00 0.00 C ATOM 1027 CG ASP A 70 10.720 3.276 -6.604 1.00 0.00 C ATOM 1028 OD1 ASP A 70 10.605 2.807 -7.755 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.822 3.498 -6.060 1.00 0.00 O ATOM 0 H ASP A 70 10.625 1.605 -4.876 1.00 0.00 H new ATOM 0 HA ASP A 70 8.156 2.559 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.792 4.192 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.711 4.198 -4.957 1.00 0.00 H new ATOM 1034 N ASN A 71 6.569 2.493 -6.475 1.00 0.00 N ATOM 1035 CA ASN A 71 5.548 2.149 -7.458 1.00 0.00 C ATOM 1036 C ASN A 71 4.967 0.767 -7.177 1.00 0.00 C ATOM 1037 O ASN A 71 4.702 -0.007 -8.098 1.00 0.00 O ATOM 1038 CB ASN A 71 6.134 2.191 -8.870 1.00 0.00 C ATOM 1039 CG ASN A 71 7.138 3.313 -9.046 1.00 0.00 C ATOM 1040 OD1 ASN A 71 8.264 3.090 -9.490 1.00 0.00 O ATOM 1041 ND2 ASN A 71 6.733 4.529 -8.698 1.00 0.00 N ATOM 0 H ASN A 71 6.299 3.233 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 71 4.746 2.883 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.616 1.238 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.327 2.313 -9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.365 5.324 -8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.790 4.668 -8.334 1.00 0.00 H new ATOM 1048 N THR A 72 4.770 0.462 -5.898 1.00 0.00 N ATOM 1049 CA THR A 72 4.221 -0.827 -5.495 1.00 0.00 C ATOM 1050 C THR A 72 2.697 -0.797 -5.487 1.00 0.00 C ATOM 1051 O THR A 72 2.086 0.057 -4.842 1.00 0.00 O ATOM 1052 CB THR A 72 4.722 -1.239 -4.098 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.154 -1.225 -4.068 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.216 -2.625 -3.729 1.00 0.00 C ATOM 0 H THR A 72 4.983 1.090 -5.123 1.00 0.00 H new ATOM 0 HA THR A 72 4.564 -1.559 -6.226 1.00 0.00 H new ATOM 0 HB THR A 72 4.336 -0.523 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.492 -0.723 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.583 -2.894 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.126 -2.625 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.576 -3.350 -4.459 1.00 0.00 H new ATOM 1062 N HIS A 73 2.087 -1.733 -6.206 1.00 0.00 N ATOM 1063 CA HIS A 73 0.633 -1.815 -6.281 1.00 0.00 C ATOM 1064 C HIS A 73 0.066 -2.532 -5.060 1.00 0.00 C ATOM 1065 O HIS A 73 0.338 -3.712 -4.838 1.00 0.00 O ATOM 1066 CB HIS A 73 0.206 -2.541 -7.556 1.00 0.00 C ATOM 1067 CG HIS A 73 0.094 -1.641 -8.749 1.00 0.00 C ATOM 1068 ND1 HIS A 73 0.844 -1.811 -9.894 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.688 -0.558 -8.970 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.529 -0.871 -10.767 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.398 -0.098 -10.231 1.00 0.00 N ATOM 0 H HIS A 73 2.577 -2.446 -6.746 1.00 0.00 H new ATOM 0 HA HIS A 73 0.238 -0.799 -6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.925 -3.331 -7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.756 -3.024 -7.384 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.534 -2.547 -10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.406 -0.135 -8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.957 -0.754 -11.752 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.724 -1.811 -4.269 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.327 -2.378 -3.069 1.00 0.00 C ATOM 1082 C PHE A 74 -2.840 -2.511 -3.232 1.00 0.00 C ATOM 1083 O PHE A 74 -3.431 -1.921 -4.135 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.008 -1.508 -1.852 1.00 0.00 C ATOM 1085 CG PHE A 74 0.453 -1.472 -1.508 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.166 -2.648 -1.337 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.113 -0.265 -1.354 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.511 -2.619 -1.019 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.458 -0.228 -1.036 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.158 -1.406 -0.869 1.00 0.00 C ATOM 0 H PHE A 74 -0.961 -0.833 -4.438 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.907 -3.372 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.354 -0.492 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.566 -1.880 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.665 -3.598 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.570 0.660 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.056 -3.542 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.960 0.721 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.209 -1.380 -0.622 1.00 0.00 H new ATOM 1100 N MET A 75 -3.457 -3.290 -2.351 1.00 0.00 N ATOM 1101 CA MET A 75 -4.899 -3.500 -2.396 1.00 0.00 C ATOM 1102 C MET A 75 -5.521 -3.300 -1.017 1.00 0.00 C ATOM 1103 O MET A 75 -5.165 -3.987 -0.059 1.00 0.00 O ATOM 1104 CB MET A 75 -5.216 -4.905 -2.912 1.00 0.00 C ATOM 1105 CG MET A 75 -6.663 -5.319 -2.697 1.00 0.00 C ATOM 1106 SD MET A 75 -7.833 -4.181 -3.463 1.00 0.00 S ATOM 1107 CE MET A 75 -7.713 -4.678 -5.180 1.00 0.00 C ATOM 0 H MET A 75 -2.981 -3.786 -1.597 1.00 0.00 H new ATOM 0 HA MET A 75 -5.327 -2.765 -3.078 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.987 -4.952 -3.977 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.564 -5.622 -2.414 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.815 -6.319 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.865 -5.376 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.414 -3.823 -5.786 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.971 -5.470 -5.278 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.681 -5.044 -5.521 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.451 -2.356 -0.923 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.122 -2.067 0.338 1.00 0.00 C ATOM 1119 C ILE A 76 -8.487 -2.745 0.403 1.00 0.00 C ATOM 1120 O ILE A 76 -9.319 -2.575 -0.488 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.303 -0.552 0.546 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.414 -0.229 2.037 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.534 -0.059 -0.201 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.074 -0.091 2.726 1.00 0.00 C ATOM 0 H ILE A 76 -6.757 -1.778 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.486 -2.460 1.131 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.429 -0.038 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.974 0.698 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.988 -1.014 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.649 1.014 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.418 -0.260 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.418 -0.577 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.229 0.138 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.520 -1.025 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.506 0.714 2.259 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.710 -3.513 1.463 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.975 -4.215 1.647 1.00 0.00 C ATOM 1138 C LEU A 77 -10.644 -3.801 2.954 1.00 0.00 C ATOM 1139 O LEU A 77 -10.014 -3.802 4.011 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.747 -5.728 1.634 1.00 0.00 C ATOM 1141 CG LEU A 77 -9.072 -6.294 0.385 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.705 -7.756 0.593 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.978 -6.137 -0.828 1.00 0.00 C ATOM 0 H LEU A 77 -8.031 -3.666 2.209 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.635 -3.945 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.141 -5.991 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.711 -6.222 1.757 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.155 -5.733 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.226 -8.142 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.019 -7.843 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.607 -8.332 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.481 -6.545 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.912 -6.673 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.191 -5.080 -0.989 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.923 -3.451 2.873 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.678 -3.037 4.050 1.00 0.00 C ATOM 1157 C GLU A 78 -13.197 -4.249 4.817 1.00 0.00 C ATOM 1158 O GLU A 78 -13.035 -5.389 4.384 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.846 -2.137 3.643 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.419 -0.883 2.899 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.511 -0.337 1.999 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.688 -0.361 2.415 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.189 0.112 0.879 1.00 0.00 O ATOM 0 H GLU A 78 -12.459 -3.446 2.005 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.008 -2.477 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.530 -2.707 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.399 -1.848 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.131 -0.118 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.536 -1.104 2.299 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.824 -3.993 5.961 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.370 -5.060 6.791 1.00 0.00 C ATOM 1172 C LYS A 79 -15.439 -5.843 6.035 1.00 0.00 C ATOM 1173 O LYS A 79 -16.635 -5.648 6.254 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.959 -4.483 8.079 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.564 -5.532 8.995 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.706 -4.961 9.820 1.00 0.00 C ATOM 1177 CE LYS A 79 -16.191 -4.127 10.983 1.00 0.00 C ATOM 1178 NZ LYS A 79 -17.145 -3.046 11.355 1.00 0.00 N ATOM 0 H LYS A 79 -13.966 -3.055 6.334 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.558 -5.741 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.177 -3.949 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.725 -3.752 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.927 -6.370 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.794 -5.923 9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.344 -4.346 9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.324 -5.775 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.019 -4.772 11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.230 -3.687 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.758 -2.500 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.290 -2.415 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -18.055 -3.466 11.633 1.00 0.00 H new ATOM 1192 N GLY A 80 -15.002 -6.730 5.148 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.935 -7.530 4.376 1.00 0.00 C ATOM 1194 C GLY A 80 -15.585 -7.568 2.902 1.00 0.00 C ATOM 1195 O GLY A 80 -16.467 -7.496 2.046 1.00 0.00 O ATOM 0 H GLY A 80 -14.018 -6.910 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.949 -8.547 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.941 -7.127 4.497 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.294 -7.679 2.604 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.830 -7.723 1.222 1.00 0.00 C ATOM 1201 C GLN A 81 -12.542 -8.531 1.106 1.00 0.00 C ATOM 1202 O GLN A 81 -11.705 -8.519 2.010 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.607 -6.307 0.691 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.881 -5.483 0.603 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.805 -4.401 -0.456 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.694 -4.274 -1.298 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.738 -3.611 -0.420 1.00 0.00 N ATOM 0 H GLN A 81 -13.551 -7.740 3.301 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.599 -8.211 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.896 -5.793 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.153 -6.366 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.721 -6.142 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.080 -5.025 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.024 -3.750 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.633 -2.865 -1.107 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.389 -9.234 -0.010 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.201 -10.048 -0.246 1.00 0.00 C ATOM 1218 C LYS A 82 -10.453 -9.571 -1.487 1.00 0.00 C ATOM 1219 O LYS A 82 -11.008 -8.855 -2.320 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.591 -11.519 -0.405 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.566 -11.771 -1.543 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.682 -13.253 -1.860 1.00 0.00 C ATOM 1223 CE LYS A 82 -11.517 -13.734 -2.709 1.00 0.00 C ATOM 1224 NZ LYS A 82 -11.491 -15.218 -2.827 1.00 0.00 N ATOM 0 H LYS A 82 -13.073 -9.257 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.541 -9.944 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.690 -12.109 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.034 -11.871 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.547 -11.377 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.237 -11.233 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.717 -13.823 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.618 -13.442 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.585 -13.292 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.581 -13.388 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.682 -15.505 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.400 -15.640 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.373 -15.547 -3.269 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.193 -9.975 -1.602 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.370 -9.590 -2.743 1.00 0.00 C ATOM 1240 C TRP A 83 -8.817 -10.315 -4.007 1.00 0.00 C ATOM 1241 O TRP A 83 -9.307 -11.442 -3.946 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.897 -9.894 -2.460 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.033 -9.831 -3.683 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.238 -8.790 -4.073 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.876 -10.852 -4.674 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.599 -9.103 -5.249 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.972 -10.362 -5.637 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.409 -12.132 -4.842 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.593 -11.108 -6.750 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.033 -12.872 -5.947 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.131 -12.358 -6.889 1.00 0.00 C ATOM 0 H TRP A 83 -8.719 -10.568 -0.920 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.490 -8.518 -2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.522 -9.185 -1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.817 -10.887 -2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.128 -7.859 -3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.952 -8.496 -5.751 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.103 -12.537 -4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.899 -10.714 -7.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.441 -13.862 -6.087 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.855 -12.961 -7.742 1.00 0.00 H new