USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 689 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 37 THR OG1 : rot 136:sc= 0.315 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.868 K(o=-0.55,f=-4.9!) USER MOD Set 2.1: A 12 THR OG1 : rot 31:sc= 0.00369 USER MOD Set 2.2: A 32 SER OG : rot 123:sc= 0.00424 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.297 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0823 F(o=-0.94,f=-0.082) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.314 K(o=-0.31,f=-4.2!) USER MOD Single : A 47 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5.4!) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.176 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.779 USER MOD Single : A 63 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-3.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 68 LYS NZ :NH3+ -113:sc= -1.16 (180deg=-3.38!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.0444 (180deg=-0.368) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 91 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-2.1) USER MOD Single : A 92 HIS : no HD1:sc= -0.822 X(o=-0.82,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 7 -18.637 2.108 -14.060 1.00 1.00 N ATOM 88 CA ARG A 7 -18.050 3.419 -13.750 1.00 1.00 C ATOM 89 C ARG A 7 -16.997 3.334 -12.638 1.00 1.00 C ATOM 90 O ARG A 7 -17.174 3.874 -11.547 1.00 1.00 O ATOM 91 CB ARG A 7 -19.156 4.391 -13.330 1.00 1.00 C ATOM 92 CG ARG A 7 -20.144 4.576 -14.484 1.00 1.00 C ATOM 93 CD ARG A 7 -21.270 5.518 -14.050 1.00 1.00 C ATOM 94 NE ARG A 7 -20.728 6.855 -13.791 1.00 1.00 N ATOM 95 CZ ARG A 7 -20.438 7.696 -14.784 1.00 1.00 C ATOM 96 NH1 ARG A 7 -20.646 7.341 -16.023 1.00 1.00 N ATOM 97 NH2 ARG A 7 -19.946 8.874 -14.517 1.00 1.00 N ATOM 0 HA ARG A 7 -17.552 3.777 -14.651 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -19.675 4.009 -12.451 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -18.723 5.352 -13.051 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -19.630 4.984 -15.354 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -20.557 3.612 -14.781 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -22.033 5.569 -14.827 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -21.754 5.132 -13.153 1.00 1.00 H new ATOM 0 HE ARG A 7 -20.569 7.149 -12.827 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -21.031 6.420 -16.232 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -20.424 7.985 -16.782 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -19.783 9.151 -13.549 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -19.724 9.518 -15.276 1.00 1.00 H new ATOM 111 N ASP A 8 -15.887 2.659 -12.916 1.00 1.00 N ATOM 112 CA ASP A 8 -14.820 2.525 -11.914 1.00 1.00 C ATOM 113 C ASP A 8 -13.505 2.033 -12.558 1.00 1.00 C ATOM 114 O ASP A 8 -13.405 0.864 -12.928 1.00 1.00 O ATOM 115 CB ASP A 8 -15.258 1.524 -10.840 1.00 1.00 C ATOM 116 CG ASP A 8 -14.198 1.439 -9.747 1.00 1.00 C ATOM 117 OD1 ASP A 8 -13.249 0.693 -9.930 1.00 1.00 O ATOM 118 OD2 ASP A 8 -14.349 2.119 -8.748 1.00 1.00 O ATOM 0 H ASP A 8 -15.698 2.201 -13.808 1.00 1.00 H new ATOM 0 HA ASP A 8 -14.641 3.505 -11.472 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -16.212 1.832 -10.411 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -15.412 0.542 -11.287 1.00 1.00 H new ATOM 123 N PRO A 9 -12.499 2.853 -12.704 1.00 1.00 N ATOM 124 CA PRO A 9 -11.214 2.410 -13.331 1.00 1.00 C ATOM 125 C PRO A 9 -10.345 1.576 -12.378 1.00 1.00 C ATOM 126 O PRO A 9 -10.514 1.588 -11.159 1.00 1.00 O ATOM 127 CB PRO A 9 -10.540 3.739 -13.734 1.00 1.00 C ATOM 128 CG PRO A 9 -11.009 4.730 -12.708 1.00 1.00 C ATOM 129 CD PRO A 9 -12.429 4.285 -12.299 1.00 1.00 C ATOM 0 HA PRO A 9 -11.371 1.742 -14.178 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -9.454 3.649 -13.730 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -10.832 4.042 -14.740 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -10.342 4.744 -11.846 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -11.020 5.740 -13.118 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -12.589 4.403 -11.227 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -13.192 4.878 -12.803 1.00 1.00 H new ATOM 137 N THR A 10 -9.395 0.841 -12.950 1.00 1.00 N ATOM 138 CA THR A 10 -8.479 -0.015 -12.169 1.00 1.00 C ATOM 139 C THR A 10 -7.070 0.566 -12.193 1.00 1.00 C ATOM 140 O THR A 10 -6.318 0.397 -13.152 1.00 1.00 O ATOM 141 CB THR A 10 -8.463 -1.431 -12.761 1.00 1.00 C ATOM 142 OG1 THR A 10 -9.792 -1.922 -12.843 1.00 1.00 O ATOM 143 CG2 THR A 10 -7.631 -2.364 -11.874 1.00 1.00 C ATOM 0 H THR A 10 -9.232 0.815 -13.956 1.00 1.00 H new ATOM 0 HA THR A 10 -8.828 -0.057 -11.137 1.00 1.00 H new ATOM 0 HB THR A 10 -8.019 -1.396 -13.756 1.00 1.00 H new ATOM 0 HG1 THR A 10 -9.784 -2.826 -13.222 1.00 1.00 H new ATOM 0 HG21 THR A 10 -7.626 -3.366 -12.303 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.609 -1.991 -11.812 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.065 -2.399 -10.875 1.00 1.00 H new ATOM 151 N LEU A 11 -6.711 1.261 -11.118 1.00 1.00 N ATOM 152 CA LEU A 11 -5.389 1.894 -11.012 1.00 1.00 C ATOM 153 C LEU A 11 -4.520 1.136 -10.024 1.00 1.00 C ATOM 154 O LEU A 11 -5.003 0.585 -9.035 1.00 1.00 O ATOM 155 CB LEU A 11 -5.560 3.350 -10.555 1.00 1.00 C ATOM 156 CG LEU A 11 -6.566 4.078 -11.466 1.00 1.00 C ATOM 157 CD1 LEU A 11 -6.753 5.513 -10.959 1.00 1.00 C ATOM 158 CD2 LEU A 11 -6.070 4.102 -12.932 1.00 1.00 C ATOM 0 H LEU A 11 -7.312 1.403 -10.306 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.901 1.874 -11.986 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.908 3.376 -9.522 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -4.598 3.862 -10.580 1.00 1.00 H new ATOM 0 HG LEU A 11 -7.516 3.544 -11.438 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -7.464 6.035 -11.599 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -7.132 5.491 -9.937 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -5.796 6.034 -10.980 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -6.799 4.622 -13.554 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -5.113 4.621 -12.984 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -5.949 3.080 -13.292 1.00 1.00 H new ATOM 170 N THR A 12 -3.219 1.101 -10.291 1.00 1.00 N ATOM 171 CA THR A 12 -2.259 0.395 -9.425 1.00 1.00 C ATOM 172 C THR A 12 -1.153 1.340 -8.960 1.00 1.00 C ATOM 173 O THR A 12 -0.505 2.008 -9.763 1.00 1.00 O ATOM 174 CB THR A 12 -1.651 -0.796 -10.183 1.00 1.00 C ATOM 175 OG1 THR A 12 -0.808 -1.524 -9.299 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.830 -0.317 -11.390 1.00 1.00 C ATOM 0 H THR A 12 -2.796 1.553 -11.102 1.00 1.00 H new ATOM 0 HA THR A 12 -2.789 0.029 -8.546 1.00 1.00 H new ATOM 0 HB THR A 12 -2.459 -1.431 -10.547 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.153 -1.453 -8.385 1.00 1.00 H new ATOM 0 HG21 THR A 12 -0.410 -1.178 -11.910 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.475 0.239 -12.071 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.022 0.329 -11.047 1.00 1.00 H new ATOM 184 N LEU A 13 -0.944 1.378 -7.648 1.00 1.00 N ATOM 185 CA LEU A 13 0.082 2.237 -7.043 1.00 1.00 C ATOM 186 C LEU A 13 1.220 1.387 -6.486 1.00 1.00 C ATOM 187 O LEU A 13 0.992 0.356 -5.855 1.00 1.00 O ATOM 188 CB LEU A 13 -0.545 3.058 -5.902 1.00 1.00 C ATOM 189 CG LEU A 13 -1.820 3.764 -6.387 1.00 1.00 C ATOM 190 CD1 LEU A 13 -2.399 4.587 -5.230 1.00 1.00 C ATOM 191 CD2 LEU A 13 -1.516 4.689 -7.584 1.00 1.00 C ATOM 0 H LEU A 13 -1.472 0.822 -6.975 1.00 1.00 H new ATOM 0 HA LEU A 13 0.478 2.906 -7.807 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.781 2.404 -5.062 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.171 3.796 -5.540 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.540 3.014 -6.714 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.305 5.094 -5.562 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.637 3.926 -4.397 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.667 5.327 -4.908 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.435 5.177 -7.909 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.790 5.445 -7.285 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.108 4.099 -8.405 1.00 1.00 H new ATOM 203 N SER A 14 2.452 1.829 -6.712 1.00 1.00 N ATOM 204 CA SER A 14 3.611 1.103 -6.221 1.00 1.00 C ATOM 205 C SER A 14 3.596 1.073 -4.700 1.00 1.00 C ATOM 206 O SER A 14 2.786 1.747 -4.062 1.00 1.00 O ATOM 207 CB SER A 14 4.897 1.769 -6.713 1.00 1.00 C ATOM 208 OG SER A 14 6.017 1.066 -6.190 1.00 1.00 O ATOM 0 H SER A 14 2.670 2.681 -7.229 1.00 1.00 H new ATOM 0 HA SER A 14 3.574 0.082 -6.600 1.00 1.00 H new ATOM 0 HB2 SER A 14 4.928 1.767 -7.803 1.00 1.00 H new ATOM 0 HB3 SER A 14 4.926 2.811 -6.395 1.00 1.00 H new ATOM 0 HG SER A 14 6.844 1.488 -6.504 1.00 1.00 H new ATOM 214 N LEU A 15 4.494 0.291 -4.111 1.00 1.00 N ATOM 215 CA LEU A 15 4.589 0.171 -2.643 1.00 1.00 C ATOM 216 C LEU A 15 6.010 0.473 -2.164 1.00 1.00 C ATOM 217 O LEU A 15 6.964 -0.239 -2.475 1.00 1.00 O ATOM 218 CB LEU A 15 4.176 -1.248 -2.219 1.00 1.00 C ATOM 219 CG LEU A 15 4.129 -1.390 -0.674 1.00 1.00 C ATOM 220 CD1 LEU A 15 3.035 -0.482 -0.053 1.00 1.00 C ATOM 221 CD2 LEU A 15 3.841 -2.860 -0.330 1.00 1.00 C ATOM 0 H LEU A 15 5.173 -0.275 -4.621 1.00 1.00 H new ATOM 0 HA LEU A 15 3.917 0.897 -2.186 1.00 1.00 H new ATOM 0 HB2 LEU A 15 3.197 -1.483 -2.637 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.880 -1.971 -2.630 1.00 1.00 H new ATOM 0 HG LEU A 15 5.088 -1.079 -0.261 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.030 -0.607 1.030 1.00 1.00 H new ATOM 0 HD12 LEU A 15 3.245 0.559 -0.297 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.060 -0.760 -0.455 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.804 -2.980 0.753 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.884 -3.154 -0.760 1.00 1.00 H new ATOM 0 HD23 LEU A 15 4.631 -3.491 -0.738 1.00 1.00 H new ATOM 233 N ILE A 16 6.141 1.542 -1.385 1.00 1.00 N ATOM 234 CA ILE A 16 7.447 1.957 -0.838 1.00 1.00 C ATOM 235 C ILE A 16 7.435 1.900 0.687 1.00 1.00 C ATOM 236 O ILE A 16 6.407 2.095 1.334 1.00 1.00 O ATOM 237 CB ILE A 16 7.786 3.379 -1.321 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.685 4.369 -0.895 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.912 3.381 -2.852 1.00 1.00 C ATOM 240 CD1 ILE A 16 7.084 5.796 -1.289 1.00 1.00 C ATOM 0 H ILE A 16 5.363 2.143 -1.113 1.00 1.00 H new ATOM 0 HA ILE A 16 8.212 1.269 -1.196 1.00 1.00 H new ATOM 0 HB ILE A 16 8.729 3.689 -0.871 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.741 4.102 -1.370 1.00 1.00 H new ATOM 0 HG13 ILE A 16 6.528 4.310 0.182 1.00 1.00 H new ATOM 0 HG21 ILE A 16 8.152 4.387 -3.196 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.705 2.696 -3.153 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.969 3.061 -3.295 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.301 6.490 -0.985 1.00 1.00 H new ATOM 0 HD12 ILE A 16 8.018 6.063 -0.794 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.218 5.851 -2.369 1.00 1.00 H new ATOM 252 N ALA A 17 8.595 1.631 1.277 1.00 1.00 N ATOM 253 CA ALA A 17 8.723 1.539 2.738 1.00 1.00 C ATOM 254 C ALA A 17 9.195 2.866 3.322 1.00 1.00 C ATOM 255 O ALA A 17 10.235 3.399 2.933 1.00 1.00 O ATOM 256 CB ALA A 17 9.732 0.446 3.096 1.00 1.00 C ATOM 0 H ALA A 17 9.465 1.472 0.770 1.00 1.00 H new ATOM 0 HA ALA A 17 7.746 1.297 3.156 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.826 0.379 4.180 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.388 -0.510 2.702 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.702 0.690 2.662 1.00 1.00 H new ATOM 262 N LYS A 18 8.433 3.401 4.271 1.00 1.00 N ATOM 263 CA LYS A 18 8.770 4.676 4.930 1.00 1.00 C ATOM 264 C LYS A 18 8.926 4.462 6.429 1.00 1.00 C ATOM 265 O LYS A 18 8.812 3.344 6.932 1.00 1.00 O ATOM 266 CB LYS A 18 7.658 5.713 4.651 1.00 1.00 C ATOM 267 CG LYS A 18 7.730 6.224 3.185 1.00 1.00 C ATOM 268 CD LYS A 18 8.779 7.345 3.040 1.00 1.00 C ATOM 269 CE LYS A 18 8.839 7.805 1.583 1.00 1.00 C ATOM 270 NZ LYS A 18 9.810 8.926 1.458 1.00 1.00 N ATOM 0 H LYS A 18 7.570 2.974 4.609 1.00 1.00 H new ATOM 0 HA LYS A 18 9.713 5.049 4.531 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.682 5.264 4.836 1.00 1.00 H new ATOM 0 HB3 LYS A 18 7.758 6.553 5.338 1.00 1.00 H new ATOM 0 HG2 LYS A 18 7.982 5.398 2.520 1.00 1.00 H new ATOM 0 HG3 LYS A 18 6.752 6.594 2.877 1.00 1.00 H new ATOM 0 HD2 LYS A 18 8.521 8.184 3.687 1.00 1.00 H new ATOM 0 HD3 LYS A 18 9.757 6.985 3.359 1.00 1.00 H new ATOM 0 HE2 LYS A 18 9.138 6.977 0.941 1.00 1.00 H new ATOM 0 HE3 LYS A 18 7.852 8.126 1.250 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 9.852 9.240 0.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 9.505 9.718 2.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 10.752 8.605 1.759 1.00 1.00 H new ATOM 284 N ASN A 19 9.201 5.542 7.152 1.00 1.00 N ATOM 285 CA ASN A 19 9.382 5.470 8.604 1.00 1.00 C ATOM 286 C ASN A 19 10.272 4.279 8.972 1.00 1.00 C ATOM 287 O ASN A 19 10.053 3.614 9.985 1.00 1.00 O ATOM 288 CB ASN A 19 8.019 5.349 9.299 1.00 1.00 C ATOM 289 CG ASN A 19 7.218 6.635 9.112 1.00 1.00 C ATOM 290 OD1 ASN A 19 7.742 7.729 9.315 1.00 1.00 O ATOM 291 ND2 ASN A 19 5.971 6.568 8.732 1.00 1.00 N ATOM 0 H ASN A 19 9.304 6.478 6.760 1.00 1.00 H new ATOM 0 HA ASN A 19 9.870 6.384 8.942 1.00 1.00 H new ATOM 0 HB2 ASN A 19 7.466 4.504 8.888 1.00 1.00 H new ATOM 0 HB3 ASN A 19 8.160 5.151 10.361 1.00 1.00 H new ATOM 0 HD21 ASN A 19 5.430 7.423 8.603 1.00 1.00 H new ATOM 0 HD22 ASN A 19 5.537 5.660 8.564 1.00 1.00 H new ATOM 298 N THR A 20 11.275 4.013 8.142 1.00 1.00 N ATOM 299 CA THR A 20 12.190 2.875 8.372 1.00 1.00 C ATOM 300 C THR A 20 13.160 3.168 9.560 1.00 1.00 C ATOM 301 O THR A 20 14.065 3.985 9.391 1.00 1.00 O ATOM 302 CB THR A 20 13.013 2.605 7.068 1.00 1.00 C ATOM 303 OG1 THR A 20 13.101 3.810 6.320 1.00 1.00 O ATOM 304 CG2 THR A 20 12.339 1.523 6.194 1.00 1.00 C ATOM 0 H THR A 20 11.483 4.559 7.306 1.00 1.00 H new ATOM 0 HA THR A 20 11.599 1.996 8.627 1.00 1.00 H new ATOM 0 HB THR A 20 14.004 2.252 7.353 1.00 1.00 H new ATOM 0 HG1 THR A 20 13.617 3.650 5.502 1.00 1.00 H new ATOM 0 HG21 THR A 20 12.934 1.358 5.296 1.00 1.00 H new ATOM 0 HG22 THR A 20 12.267 0.593 6.758 1.00 1.00 H new ATOM 0 HG23 THR A 20 11.340 1.854 5.911 1.00 1.00 H new ATOM 312 N PRO A 21 13.023 2.527 10.688 1.00 1.00 N ATOM 313 CA PRO A 21 13.964 2.768 11.841 1.00 1.00 C ATOM 314 C PRO A 21 15.422 2.466 11.464 1.00 1.00 C ATOM 315 O PRO A 21 15.849 2.657 10.325 1.00 1.00 O ATOM 316 CB PRO A 21 13.469 1.796 12.946 1.00 1.00 C ATOM 317 CG PRO A 21 12.050 1.510 12.587 1.00 1.00 C ATOM 318 CD PRO A 21 12.013 1.508 11.056 1.00 1.00 C ATOM 0 HA PRO A 21 13.957 3.811 12.158 1.00 1.00 H new ATOM 0 HB2 PRO A 21 14.064 0.883 12.967 1.00 1.00 H new ATOM 0 HB3 PRO A 21 13.544 2.248 13.935 1.00 1.00 H new ATOM 0 HG2 PRO A 21 11.728 0.549 12.989 1.00 1.00 H new ATOM 0 HG3 PRO A 21 11.381 2.267 12.996 1.00 1.00 H new ATOM 0 HD2 PRO A 21 12.264 0.528 10.649 1.00 1.00 H new ATOM 0 HD3 PRO A 21 11.024 1.767 10.677 1.00 1.00 H new ATOM 326 N ALA A 22 16.189 1.976 12.431 1.00 1.00 N ATOM 327 CA ALA A 22 17.594 1.639 12.225 1.00 1.00 C ATOM 328 C ALA A 22 17.787 0.784 10.981 1.00 1.00 C ATOM 329 O ALA A 22 16.965 -0.066 10.638 1.00 1.00 O ATOM 330 CB ALA A 22 18.127 0.884 13.443 1.00 1.00 C ATOM 0 H ALA A 22 15.856 1.801 13.379 1.00 1.00 H new ATOM 0 HA ALA A 22 18.144 2.570 12.089 1.00 1.00 H new ATOM 0 HB1 ALA A 22 19.176 0.634 13.286 1.00 1.00 H new ATOM 0 HB2 ALA A 22 18.032 1.511 14.330 1.00 1.00 H new ATOM 0 HB3 ALA A 22 17.553 -0.032 13.583 1.00 1.00 H new ATOM 336 N ASN A 23 18.895 1.013 10.284 1.00 1.00 N ATOM 337 CA ASN A 23 19.238 0.262 9.035 1.00 1.00 C ATOM 338 C ASN A 23 18.370 -0.991 8.859 1.00 1.00 C ATOM 339 O ASN A 23 18.743 -2.094 9.262 1.00 1.00 O ATOM 340 CB ASN A 23 20.711 -0.161 9.068 1.00 1.00 C ATOM 341 CG ASN A 23 21.614 1.064 9.166 1.00 1.00 C ATOM 342 OD1 ASN A 23 21.218 2.202 8.666 1.00 1.00 O flip ATOM 343 ND2 ASN A 23 22.713 0.980 9.712 1.00 1.00 N flip ATOM 0 H ASN A 23 19.588 1.713 10.548 1.00 1.00 H new ATOM 0 HA ASN A 23 19.050 0.931 8.196 1.00 1.00 H new ATOM 0 HB2 ASN A 23 20.888 -0.820 9.918 1.00 1.00 H new ATOM 0 HB3 ASN A 23 20.953 -0.728 8.169 1.00 1.00 H new ATOM 0 HD21 ASN A 23 23.022 0.090 10.103 1.00 1.00 H new ATOM 0 HD22 ASN A 23 23.316 1.801 9.774 1.00 1.00 H new ATOM 350 N SER A 24 17.188 -0.809 8.280 1.00 1.00 N ATOM 351 CA SER A 24 16.231 -1.901 8.077 1.00 1.00 C ATOM 352 C SER A 24 16.357 -2.477 6.682 1.00 1.00 C ATOM 353 O SER A 24 16.712 -1.786 5.728 1.00 1.00 O ATOM 354 CB SER A 24 14.807 -1.384 8.286 1.00 1.00 C ATOM 355 OG SER A 24 13.885 -2.432 8.015 1.00 1.00 O ATOM 0 H SER A 24 16.863 0.095 7.938 1.00 1.00 H new ATOM 0 HA SER A 24 16.449 -2.687 8.800 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.683 -1.029 9.309 1.00 1.00 H new ATOM 0 HB3 SER A 24 14.615 -0.536 7.629 1.00 1.00 H new ATOM 0 HG SER A 24 12.971 -2.106 8.149 1.00 1.00 H new ATOM 361 N MET A 25 16.072 -3.769 6.559 1.00 1.00 N ATOM 362 CA MET A 25 16.149 -4.451 5.269 1.00 1.00 C ATOM 363 C MET A 25 15.047 -5.502 5.165 1.00 1.00 C ATOM 364 O MET A 25 15.131 -6.583 5.747 1.00 1.00 O ATOM 365 CB MET A 25 17.524 -5.107 5.132 1.00 1.00 C ATOM 366 CG MET A 25 17.688 -5.706 3.734 1.00 1.00 C ATOM 367 SD MET A 25 19.367 -6.354 3.561 1.00 1.00 S ATOM 368 CE MET A 25 19.254 -6.799 1.813 1.00 1.00 C ATOM 0 H MET A 25 15.786 -4.366 7.335 1.00 1.00 H new ATOM 0 HA MET A 25 16.011 -3.729 4.464 1.00 1.00 H new ATOM 0 HB2 MET A 25 18.306 -4.370 5.314 1.00 1.00 H new ATOM 0 HB3 MET A 25 17.640 -5.886 5.885 1.00 1.00 H new ATOM 0 HG2 MET A 25 16.960 -6.502 3.578 1.00 1.00 H new ATOM 0 HG3 MET A 25 17.498 -4.947 2.975 1.00 1.00 H new ATOM 0 HE1 MET A 25 20.201 -7.228 1.485 1.00 1.00 H new ATOM 0 HE2 MET A 25 18.457 -7.529 1.674 1.00 1.00 H new ATOM 0 HE3 MET A 25 19.036 -5.908 1.224 1.00 1.00 H new ATOM 378 N ILE A 26 14.005 -5.179 4.406 1.00 1.00 N ATOM 379 CA ILE A 26 12.879 -6.095 4.238 1.00 1.00 C ATOM 380 C ILE A 26 13.277 -7.306 3.390 1.00 1.00 C ATOM 381 O ILE A 26 13.661 -7.170 2.229 1.00 1.00 O ATOM 382 CB ILE A 26 11.691 -5.366 3.567 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.372 -4.036 4.313 1.00 1.00 C ATOM 384 CG2 ILE A 26 10.450 -6.275 3.598 1.00 1.00 C ATOM 385 CD1 ILE A 26 12.401 -2.921 4.014 1.00 1.00 C ATOM 0 H ILE A 26 13.915 -4.298 3.901 1.00 1.00 H new ATOM 0 HA ILE A 26 12.581 -6.443 5.227 1.00 1.00 H new ATOM 0 HB ILE A 26 11.960 -5.136 2.536 1.00 1.00 H new ATOM 0 HG12 ILE A 26 10.378 -3.693 4.026 1.00 1.00 H new ATOM 0 HG13 ILE A 26 11.347 -4.223 5.386 1.00 1.00 H new ATOM 0 HG21 ILE A 26 9.612 -5.763 3.126 1.00 1.00 H new ATOM 0 HG22 ILE A 26 10.662 -7.198 3.059 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.196 -6.509 4.632 1.00 1.00 H new ATOM 0 HD11 ILE A 26 12.128 -2.018 4.560 1.00 1.00 H new ATOM 0 HD12 ILE A 26 13.393 -3.248 4.326 1.00 1.00 H new ATOM 0 HD13 ILE A 26 12.408 -2.710 2.945 1.00 1.00 H new ATOM 397 N MET A 27 13.170 -8.496 3.972 1.00 1.00 N ATOM 398 CA MET A 27 13.509 -9.727 3.261 1.00 1.00 C ATOM 399 C MET A 27 12.612 -9.875 2.045 1.00 1.00 C ATOM 400 O MET A 27 13.072 -10.189 0.945 1.00 1.00 O ATOM 401 CB MET A 27 13.337 -10.939 4.193 1.00 1.00 C ATOM 402 CG MET A 27 13.749 -12.250 3.478 1.00 1.00 C ATOM 403 SD MET A 27 12.373 -12.864 2.469 1.00 1.00 S ATOM 404 CE MET A 27 13.212 -14.318 1.795 1.00 1.00 C ATOM 0 H MET A 27 12.852 -8.636 4.931 1.00 1.00 H new ATOM 0 HA MET A 27 14.549 -9.679 2.937 1.00 1.00 H new ATOM 0 HB2 MET A 27 13.943 -10.803 5.089 1.00 1.00 H new ATOM 0 HB3 MET A 27 12.299 -11.008 4.518 1.00 1.00 H new ATOM 0 HG2 MET A 27 14.621 -12.072 2.849 1.00 1.00 H new ATOM 0 HG3 MET A 27 14.035 -13.001 4.214 1.00 1.00 H new ATOM 0 HE1 MET A 27 12.533 -14.855 1.132 1.00 1.00 H new ATOM 0 HE2 MET A 27 14.093 -14.003 1.235 1.00 1.00 H new ATOM 0 HE3 MET A 27 13.516 -14.973 2.611 1.00 1.00 H new ATOM 414 N THR A 28 11.319 -9.638 2.230 1.00 1.00 N ATOM 415 CA THR A 28 10.355 -9.729 1.142 1.00 1.00 C ATOM 416 C THR A 28 10.432 -8.467 0.304 1.00 1.00 C ATOM 417 O THR A 28 11.098 -7.497 0.668 1.00 1.00 O ATOM 418 CB THR A 28 8.940 -9.875 1.704 1.00 1.00 C ATOM 419 OG1 THR A 28 8.610 -8.720 2.464 1.00 1.00 O ATOM 420 CG2 THR A 28 8.861 -11.116 2.595 1.00 1.00 C ATOM 0 H THR A 28 10.913 -9.380 3.129 1.00 1.00 H new ATOM 0 HA THR A 28 10.587 -10.600 0.529 1.00 1.00 H new ATOM 0 HB THR A 28 8.235 -9.981 0.880 1.00 1.00 H new ATOM 0 HG1 THR A 28 7.869 -8.928 3.071 1.00 1.00 H new ATOM 0 HG21 THR A 28 7.851 -11.215 2.992 1.00 1.00 H new ATOM 0 HG22 THR A 28 9.109 -12.001 2.009 1.00 1.00 H new ATOM 0 HG23 THR A 28 9.567 -11.018 3.419 1.00 1.00 H new ATOM 428 N LYS A 29 9.752 -8.449 -0.837 1.00 1.00 N ATOM 429 CA LYS A 29 9.752 -7.281 -1.726 1.00 1.00 C ATOM 430 C LYS A 29 8.454 -6.502 -1.573 1.00 1.00 C ATOM 431 O LYS A 29 7.483 -6.974 -0.981 1.00 1.00 O ATOM 432 CB LYS A 29 9.936 -7.738 -3.178 1.00 1.00 C ATOM 433 CG LYS A 29 11.324 -8.373 -3.329 1.00 1.00 C ATOM 434 CD LYS A 29 11.545 -8.817 -4.775 1.00 1.00 C ATOM 435 CE LYS A 29 12.934 -9.448 -4.899 1.00 1.00 C ATOM 436 NZ LYS A 29 13.156 -9.896 -6.302 1.00 1.00 N ATOM 0 H LYS A 29 9.190 -9.231 -1.174 1.00 1.00 H new ATOM 0 HA LYS A 29 10.579 -6.625 -1.454 1.00 1.00 H new ATOM 0 HB2 LYS A 29 9.162 -8.456 -3.448 1.00 1.00 H new ATOM 0 HB3 LYS A 29 9.834 -6.890 -3.855 1.00 1.00 H new ATOM 0 HG2 LYS A 29 12.093 -7.657 -3.039 1.00 1.00 H new ATOM 0 HG3 LYS A 29 11.416 -9.228 -2.660 1.00 1.00 H new ATOM 0 HD2 LYS A 29 10.779 -9.534 -5.069 1.00 1.00 H new ATOM 0 HD3 LYS A 29 11.458 -7.964 -5.448 1.00 1.00 H new ATOM 0 HE2 LYS A 29 13.699 -8.727 -4.612 1.00 1.00 H new ATOM 0 HE3 LYS A 29 13.022 -10.295 -4.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 14.100 -10.324 -6.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 12.434 -10.598 -6.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 13.090 -9.079 -6.942 1.00 1.00 H new ATOM 450 N LEU A 30 8.446 -5.289 -2.116 1.00 1.00 N ATOM 451 CA LEU A 30 7.257 -4.411 -2.029 1.00 1.00 C ATOM 452 C LEU A 30 6.452 -4.384 -3.357 1.00 1.00 C ATOM 453 O LEU A 30 6.781 -3.583 -4.233 1.00 1.00 O ATOM 454 CB LEU A 30 7.734 -2.990 -1.673 1.00 1.00 C ATOM 455 CG LEU A 30 8.741 -3.035 -0.502 1.00 1.00 C ATOM 456 CD1 LEU A 30 9.123 -1.602 -0.113 1.00 1.00 C ATOM 457 CD2 LEU A 30 8.130 -3.755 0.723 1.00 1.00 C ATOM 0 H LEU A 30 9.235 -4.883 -2.619 1.00 1.00 H new ATOM 0 HA LEU A 30 6.589 -4.801 -1.261 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.200 -2.528 -2.543 1.00 1.00 H new ATOM 0 HB3 LEU A 30 6.879 -2.370 -1.402 1.00 1.00 H new ATOM 0 HG LEU A 30 9.625 -3.587 -0.821 1.00 1.00 H new ATOM 0 HD11 LEU A 30 9.834 -1.626 0.713 1.00 1.00 H new ATOM 0 HD12 LEU A 30 9.578 -1.102 -0.968 1.00 1.00 H new ATOM 0 HD13 LEU A 30 8.230 -1.058 0.193 1.00 1.00 H new ATOM 0 HD21 LEU A 30 8.858 -3.774 1.534 1.00 1.00 H new ATOM 0 HD22 LEU A 30 7.236 -3.223 1.049 1.00 1.00 H new ATOM 0 HD23 LEU A 30 7.865 -4.776 0.450 1.00 1.00 H new ATOM 469 N PRO A 31 5.444 -5.199 -3.508 1.00 1.00 N ATOM 470 CA PRO A 31 4.625 -5.222 -4.769 1.00 1.00 C ATOM 471 C PRO A 31 3.573 -4.109 -4.819 1.00 1.00 C ATOM 472 O PRO A 31 3.142 -3.579 -3.795 1.00 1.00 O ATOM 473 CB PRO A 31 3.959 -6.607 -4.712 1.00 1.00 C ATOM 474 CG PRO A 31 3.691 -6.801 -3.255 1.00 1.00 C ATOM 475 CD PRO A 31 4.919 -6.208 -2.541 1.00 1.00 C ATOM 0 HA PRO A 31 5.232 -5.054 -5.659 1.00 1.00 H new ATOM 0 HB2 PRO A 31 3.040 -6.636 -5.297 1.00 1.00 H new ATOM 0 HB3 PRO A 31 4.613 -7.384 -5.108 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.775 -6.294 -2.951 1.00 1.00 H new ATOM 0 HG3 PRO A 31 3.566 -7.857 -3.014 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.645 -5.747 -1.592 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.662 -6.975 -2.321 1.00 1.00 H new ATOM 483 N SER A 32 3.135 -3.760 -6.024 1.00 1.00 N ATOM 484 CA SER A 32 2.125 -2.720 -6.205 1.00 1.00 C ATOM 485 C SER A 32 0.773 -3.170 -5.655 1.00 1.00 C ATOM 486 O SER A 32 0.534 -4.361 -5.450 1.00 1.00 O ATOM 487 CB SER A 32 1.986 -2.388 -7.692 1.00 1.00 C ATOM 488 OG SER A 32 1.510 -3.534 -8.387 1.00 1.00 O ATOM 0 H SER A 32 3.464 -4.182 -6.892 1.00 1.00 H new ATOM 0 HA SER A 32 2.445 -1.834 -5.657 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.297 -1.554 -7.827 1.00 1.00 H new ATOM 0 HB3 SER A 32 2.948 -2.076 -8.098 1.00 1.00 H new ATOM 0 HG SER A 32 0.678 -3.311 -8.854 1.00 1.00 H new ATOM 494 N VAL A 33 -0.111 -2.206 -5.419 1.00 1.00 N ATOM 495 CA VAL A 33 -1.462 -2.487 -4.878 1.00 1.00 C ATOM 496 C VAL A 33 -2.554 -2.008 -5.840 1.00 1.00 C ATOM 497 O VAL A 33 -2.457 -0.927 -6.418 1.00 1.00 O ATOM 498 CB VAL A 33 -1.628 -1.797 -3.511 1.00 1.00 C ATOM 499 CG1 VAL A 33 -0.466 -2.193 -2.593 1.00 1.00 C ATOM 500 CG2 VAL A 33 -1.639 -0.269 -3.667 1.00 1.00 C ATOM 0 H VAL A 33 0.072 -1.217 -5.590 1.00 1.00 H new ATOM 0 HA VAL A 33 -1.565 -3.565 -4.758 1.00 1.00 H new ATOM 0 HB VAL A 33 -2.577 -2.116 -3.080 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -0.584 -1.705 -1.626 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.463 -3.274 -2.456 1.00 1.00 H new ATOM 0 HG13 VAL A 33 0.476 -1.882 -3.044 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -1.757 0.196 -2.688 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -0.700 0.058 -4.113 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -2.468 0.025 -4.311 1.00 1.00 H new ATOM 510 N ARG A 34 -3.598 -2.815 -6.004 1.00 1.00 N ATOM 511 CA ARG A 34 -4.719 -2.464 -6.897 1.00 1.00 C ATOM 512 C ARG A 34 -5.771 -1.689 -6.123 1.00 1.00 C ATOM 513 O ARG A 34 -6.340 -2.192 -5.154 1.00 1.00 O ATOM 514 CB ARG A 34 -5.345 -3.741 -7.461 1.00 1.00 C ATOM 515 CG ARG A 34 -4.280 -4.542 -8.221 1.00 1.00 C ATOM 516 CD ARG A 34 -4.869 -5.870 -8.728 1.00 1.00 C ATOM 517 NE ARG A 34 -5.756 -5.624 -9.868 1.00 1.00 N ATOM 518 CZ ARG A 34 -5.274 -5.425 -11.097 1.00 1.00 C ATOM 519 NH1 ARG A 34 -3.985 -5.435 -11.300 1.00 1.00 N ATOM 520 NH2 ARG A 34 -6.088 -5.220 -12.092 1.00 1.00 N ATOM 0 H ARG A 34 -3.700 -3.716 -5.536 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.344 -1.848 -7.714 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -5.759 -4.343 -6.652 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.171 -3.490 -8.127 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.907 -3.957 -9.062 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.430 -4.739 -7.568 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -4.065 -6.545 -9.022 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -5.421 -6.361 -7.927 1.00 1.00 H new ATOM 0 HE ARG A 34 -6.765 -5.604 -9.719 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -3.347 -5.595 -10.520 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -3.615 -5.283 -12.238 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -7.096 -5.211 -11.933 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -5.718 -5.068 -13.030 1.00 1.00 H new ATOM 534 N VAL A 35 -6.028 -0.454 -6.538 1.00 1.00 N ATOM 535 CA VAL A 35 -7.011 0.412 -5.858 1.00 1.00 C ATOM 536 C VAL A 35 -8.088 0.907 -6.826 1.00 1.00 C ATOM 537 O VAL A 35 -7.803 1.394 -7.920 1.00 1.00 O ATOM 538 CB VAL A 35 -6.289 1.629 -5.224 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.132 2.209 -4.085 1.00 1.00 C ATOM 540 CG2 VAL A 35 -4.919 1.193 -4.689 1.00 1.00 C ATOM 0 H VAL A 35 -5.574 -0.020 -7.342 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.496 -0.180 -5.082 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.152 2.397 -5.985 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -6.615 3.063 -3.648 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.098 2.531 -4.475 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.284 1.447 -3.321 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.413 2.050 -4.244 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.053 0.418 -3.934 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.316 0.801 -5.508 1.00 1.00 H new ATOM 550 N LYS A 36 -9.341 0.788 -6.402 1.00 1.00 N ATOM 551 CA LYS A 36 -10.485 1.229 -7.210 1.00 1.00 C ATOM 552 C LYS A 36 -11.013 2.565 -6.692 1.00 1.00 C ATOM 553 O LYS A 36 -10.911 2.881 -5.506 1.00 1.00 O ATOM 554 CB LYS A 36 -11.590 0.171 -7.145 1.00 1.00 C ATOM 555 CG LYS A 36 -11.121 -1.107 -7.844 1.00 1.00 C ATOM 556 CD LYS A 36 -12.226 -2.160 -7.771 1.00 1.00 C ATOM 557 CE LYS A 36 -11.760 -3.437 -8.466 1.00 1.00 C ATOM 558 NZ LYS A 36 -12.833 -4.467 -8.388 1.00 1.00 N ATOM 0 H LYS A 36 -9.597 0.388 -5.499 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.165 1.358 -8.244 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -11.842 -0.042 -6.106 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.495 0.547 -7.622 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -10.873 -0.896 -8.884 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.214 -1.482 -7.370 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -12.475 -2.370 -6.731 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -13.132 -1.785 -8.246 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -11.517 -3.228 -9.508 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -10.850 -3.809 -7.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -12.515 -5.336 -8.862 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -13.044 -4.673 -7.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -13.690 -4.111 -8.857 1.00 1.00 H new ATOM 572 N THR A 37 -11.589 3.354 -7.594 1.00 1.00 N ATOM 573 CA THR A 37 -12.138 4.676 -7.234 1.00 1.00 C ATOM 574 C THR A 37 -13.514 4.886 -7.857 1.00 1.00 C ATOM 575 O THR A 37 -13.737 4.570 -9.026 1.00 1.00 O ATOM 576 CB THR A 37 -11.194 5.775 -7.720 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.037 5.676 -9.128 1.00 1.00 O ATOM 578 CG2 THR A 37 -9.834 5.633 -7.036 1.00 1.00 C ATOM 0 H THR A 37 -11.692 3.110 -8.579 1.00 1.00 H new ATOM 0 HA THR A 37 -12.236 4.719 -6.149 1.00 1.00 H new ATOM 0 HB THR A 37 -11.616 6.748 -7.470 1.00 1.00 H new ATOM 0 HG1 THR A 37 -11.088 6.570 -9.526 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.166 6.420 -7.387 1.00 1.00 H new ATOM 0 HG22 THR A 37 -9.959 5.718 -5.957 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.406 4.660 -7.276 1.00 1.00 H new ATOM 586 N GLU A 38 -14.437 5.430 -7.073 1.00 1.00 N ATOM 587 CA GLU A 38 -15.792 5.686 -7.556 1.00 1.00 C ATOM 588 C GLU A 38 -15.753 6.503 -8.838 1.00 1.00 C ATOM 589 O GLU A 38 -16.051 6.015 -9.927 1.00 1.00 O ATOM 590 CB GLU A 38 -16.602 6.430 -6.483 1.00 1.00 C ATOM 591 CG GLU A 38 -18.079 6.494 -6.893 1.00 1.00 C ATOM 592 CD GLU A 38 -18.894 7.237 -5.839 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.396 7.408 -4.738 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.006 7.629 -6.150 1.00 1.00 O ATOM 0 H GLU A 38 -14.275 5.702 -6.103 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.273 4.731 -7.766 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -16.504 5.922 -5.524 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -16.208 7.438 -6.352 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -18.174 6.997 -7.856 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -18.471 5.485 -7.020 1.00 1.00 H new ATOM 601 N GLY A 39 -15.358 7.767 -8.710 1.00 1.00 N ATOM 602 CA GLY A 39 -15.268 8.672 -9.857 1.00 1.00 C ATOM 603 C GLY A 39 -14.508 8.029 -11.009 1.00 1.00 C ATOM 604 O GLY A 39 -13.951 6.942 -10.860 1.00 1.00 O ATOM 0 H GLY A 39 -15.094 8.191 -7.821 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -16.270 8.945 -10.187 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -14.768 9.593 -9.558 1.00 1.00 H new ATOM 608 N TYR A 40 -14.495 8.694 -12.160 1.00 1.00 N ATOM 609 CA TYR A 40 -13.807 8.180 -13.352 1.00 1.00 C ATOM 610 C TYR A 40 -12.420 8.785 -13.493 1.00 1.00 C ATOM 611 O TYR A 40 -11.636 8.372 -14.345 1.00 1.00 O ATOM 612 CB TYR A 40 -14.636 8.491 -14.604 1.00 1.00 C ATOM 613 CG TYR A 40 -13.983 7.861 -15.823 1.00 1.00 C ATOM 614 CD1 TYR A 40 -14.264 6.527 -16.157 1.00 1.00 C ATOM 615 CD2 TYR A 40 -13.090 8.603 -16.612 1.00 1.00 C ATOM 616 CE1 TYR A 40 -13.661 5.943 -17.277 1.00 1.00 C ATOM 617 CE2 TYR A 40 -12.491 8.016 -17.732 1.00 1.00 C ATOM 618 CZ TYR A 40 -12.772 6.686 -18.064 1.00 1.00 C ATOM 619 OH TYR A 40 -12.179 6.108 -19.166 1.00 1.00 O ATOM 0 H TYR A 40 -14.954 9.594 -12.298 1.00 1.00 H new ATOM 0 HA TYR A 40 -13.698 7.101 -13.241 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -15.650 8.108 -14.484 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -14.716 9.570 -14.740 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -14.946 5.951 -15.549 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -12.865 9.627 -16.354 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -13.882 4.918 -17.535 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.810 8.591 -18.342 1.00 1.00 H new ATOM 0 HH TYR A 40 -11.592 6.761 -19.601 1.00 1.00 H new ATOM 629 N ASN A 41 -12.110 9.772 -12.658 1.00 1.00 N ATOM 630 CA ASN A 41 -10.809 10.433 -12.691 1.00 1.00 C ATOM 631 C ASN A 41 -10.547 11.081 -14.059 1.00 1.00 C ATOM 632 O ASN A 41 -9.800 10.531 -14.869 1.00 1.00 O ATOM 633 CB ASN A 41 -9.698 9.420 -12.369 1.00 1.00 C ATOM 634 CG ASN A 41 -10.091 8.589 -11.152 1.00 1.00 C ATOM 635 OD1 ASN A 41 -11.034 7.801 -11.215 1.00 1.00 O ATOM 636 ND2 ASN A 41 -9.417 8.716 -10.043 1.00 1.00 N ATOM 0 H ASN A 41 -12.745 10.133 -11.947 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.811 11.221 -11.938 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -9.528 8.768 -13.226 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.761 9.943 -12.176 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -9.671 8.162 -9.225 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.636 9.370 -9.993 1.00 1.00 H new ATOM 643 N PRO A 42 -11.128 12.217 -14.333 1.00 1.00 N ATOM 644 CA PRO A 42 -10.916 12.911 -15.643 1.00 1.00 C ATOM 645 C PRO A 42 -9.434 12.951 -16.051 1.00 1.00 C ATOM 646 O PRO A 42 -9.092 12.680 -17.202 1.00 1.00 O ATOM 647 CB PRO A 42 -11.472 14.328 -15.387 1.00 1.00 C ATOM 648 CG PRO A 42 -12.546 14.132 -14.355 1.00 1.00 C ATOM 649 CD PRO A 42 -12.065 12.972 -13.463 1.00 1.00 C ATOM 0 HA PRO A 42 -11.409 12.399 -16.469 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -10.693 15.000 -15.026 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -11.875 14.767 -16.300 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -12.696 15.039 -13.770 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -13.501 13.894 -14.824 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.569 13.338 -12.564 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -12.897 12.348 -13.136 1.00 1.00 H new ATOM 657 N SER A 43 -8.559 13.289 -15.111 1.00 1.00 N ATOM 658 CA SER A 43 -7.121 13.355 -15.389 1.00 1.00 C ATOM 659 C SER A 43 -6.317 13.519 -14.098 1.00 1.00 C ATOM 660 O SER A 43 -5.178 13.986 -14.120 1.00 1.00 O ATOM 661 CB SER A 43 -6.827 14.531 -16.323 1.00 1.00 C ATOM 662 OG SER A 43 -7.206 15.744 -15.681 1.00 1.00 O ATOM 0 H SER A 43 -8.815 13.522 -14.151 1.00 1.00 H new ATOM 0 HA SER A 43 -6.825 12.420 -15.865 1.00 1.00 H new ATOM 0 HB2 SER A 43 -5.767 14.555 -16.575 1.00 1.00 H new ATOM 0 HB3 SER A 43 -7.374 14.414 -17.258 1.00 1.00 H new ATOM 0 HG SER A 43 -7.018 16.501 -16.275 1.00 1.00 H new ATOM 668 N ILE A 44 -6.919 13.135 -12.976 1.00 1.00 N ATOM 669 CA ILE A 44 -6.253 13.246 -11.676 1.00 1.00 C ATOM 670 C ILE A 44 -4.886 12.552 -11.725 1.00 1.00 C ATOM 671 O ILE A 44 -4.748 11.430 -12.213 1.00 1.00 O ATOM 672 CB ILE A 44 -7.158 12.624 -10.567 1.00 1.00 C ATOM 673 CG1 ILE A 44 -8.273 13.621 -10.180 1.00 1.00 C ATOM 674 CG2 ILE A 44 -6.342 12.271 -9.300 1.00 1.00 C ATOM 675 CD1 ILE A 44 -9.088 14.026 -11.414 1.00 1.00 C ATOM 0 H ILE A 44 -7.861 12.746 -12.937 1.00 1.00 H new ATOM 0 HA ILE A 44 -6.090 14.297 -11.439 1.00 1.00 H new ATOM 0 HB ILE A 44 -7.591 11.708 -10.969 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -8.930 13.170 -9.436 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -7.833 14.507 -9.721 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -7.004 11.840 -8.549 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.566 11.550 -9.556 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -5.880 13.174 -8.901 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -9.868 14.728 -11.120 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -8.431 14.498 -12.145 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -9.545 13.140 -11.855 1.00 1.00 H new ATOM 687 N ASN A 45 -3.873 13.238 -11.206 1.00 1.00 N ATOM 688 CA ASN A 45 -2.518 12.704 -11.186 1.00 1.00 C ATOM 689 C ASN A 45 -2.481 11.344 -10.491 1.00 1.00 C ATOM 690 O ASN A 45 -2.311 11.252 -9.276 1.00 1.00 O ATOM 691 CB ASN A 45 -1.597 13.686 -10.454 1.00 1.00 C ATOM 692 CG ASN A 45 -1.482 14.989 -11.240 1.00 1.00 C ATOM 693 OD1 ASN A 45 -2.467 15.464 -11.806 1.00 1.00 O ATOM 694 ND2 ASN A 45 -0.329 15.597 -11.310 1.00 1.00 N ATOM 0 H ASN A 45 -3.966 14.166 -10.793 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.177 12.573 -12.213 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -1.988 13.888 -9.457 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -0.610 13.242 -10.325 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -0.243 16.468 -11.834 1.00 1.00 H new ATOM 0 HD22 ASN A 45 0.485 15.202 -10.840 1.00 1.00 H new ATOM 701 N VAL A 46 -2.631 10.278 -11.269 1.00 1.00 N ATOM 702 CA VAL A 46 -2.615 8.923 -10.728 1.00 1.00 C ATOM 703 C VAL A 46 -1.332 8.674 -9.940 1.00 1.00 C ATOM 704 O VAL A 46 -1.248 7.729 -9.155 1.00 1.00 O ATOM 705 CB VAL A 46 -2.743 7.907 -11.872 1.00 1.00 C ATOM 706 CG1 VAL A 46 -2.777 6.475 -11.308 1.00 1.00 C ATOM 707 CG2 VAL A 46 -4.036 8.188 -12.647 1.00 1.00 C ATOM 0 H VAL A 46 -2.765 10.326 -12.279 1.00 1.00 H new ATOM 0 HA VAL A 46 -3.460 8.806 -10.049 1.00 1.00 H new ATOM 0 HB VAL A 46 -1.885 8.001 -12.537 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -2.868 5.763 -12.128 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -1.857 6.279 -10.758 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -3.630 6.368 -10.638 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -4.135 7.471 -13.462 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -4.890 8.095 -11.976 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -4.003 9.198 -13.055 1.00 1.00 H new ATOM 717 N ASN A 47 -0.331 9.524 -10.145 1.00 1.00 N ATOM 718 CA ASN A 47 0.950 9.396 -9.445 1.00 1.00 C ATOM 719 C ASN A 47 0.847 9.983 -8.041 1.00 1.00 C ATOM 720 O ASN A 47 1.256 9.356 -7.063 1.00 1.00 O ATOM 721 CB ASN A 47 2.040 10.125 -10.235 1.00 1.00 C ATOM 722 CG ASN A 47 1.631 11.572 -10.486 1.00 1.00 C ATOM 723 OD1 ASN A 47 1.721 12.409 -9.589 1.00 1.00 O ATOM 724 ND2 ASN A 47 1.177 11.917 -11.660 1.00 1.00 N ATOM 0 H ASN A 47 -0.379 10.312 -10.791 1.00 1.00 H new ATOM 0 HA ASN A 47 1.206 8.340 -9.363 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.980 10.096 -9.684 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.211 9.618 -11.185 1.00 1.00 H new ATOM 0 HD21 ASN A 47 0.896 12.882 -11.835 1.00 1.00 H new ATOM 0 HD22 ASN A 47 1.103 11.222 -12.403 1.00 1.00 H new ATOM 731 N GLU A 48 0.298 11.190 -7.953 1.00 1.00 N ATOM 732 CA GLU A 48 0.126 11.884 -6.661 1.00 1.00 C ATOM 733 C GLU A 48 -0.410 10.931 -5.577 1.00 1.00 C ATOM 734 O GLU A 48 -0.356 11.227 -4.384 1.00 1.00 O ATOM 735 CB GLU A 48 -0.843 13.060 -6.849 1.00 1.00 C ATOM 736 CG GLU A 48 -0.952 13.884 -5.557 1.00 1.00 C ATOM 737 CD GLU A 48 -1.794 15.137 -5.797 1.00 1.00 C ATOM 738 OE1 GLU A 48 -2.458 15.199 -6.819 1.00 1.00 O ATOM 739 OE2 GLU A 48 -1.761 16.015 -4.952 1.00 1.00 O ATOM 0 H GLU A 48 -0.040 11.718 -8.758 1.00 1.00 H new ATOM 0 HA GLU A 48 1.099 12.248 -6.330 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.497 13.696 -7.664 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -1.827 12.686 -7.132 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -1.403 13.280 -4.769 1.00 1.00 H new ATOM 0 HG3 GLU A 48 0.043 14.166 -5.213 1.00 1.00 H new ATOM 746 N LEU A 49 -0.913 9.778 -6.011 1.00 1.00 N ATOM 747 CA LEU A 49 -1.445 8.765 -5.101 1.00 1.00 C ATOM 748 C LEU A 49 -0.359 7.738 -4.792 1.00 1.00 C ATOM 749 O LEU A 49 0.403 7.340 -5.673 1.00 1.00 O ATOM 750 CB LEU A 49 -2.650 8.074 -5.754 1.00 1.00 C ATOM 751 CG LEU A 49 -3.645 9.120 -6.284 1.00 1.00 C ATOM 752 CD1 LEU A 49 -4.847 8.396 -6.900 1.00 1.00 C ATOM 753 CD2 LEU A 49 -4.119 10.056 -5.148 1.00 1.00 C ATOM 0 H LEU A 49 -0.964 9.520 -6.996 1.00 1.00 H new ATOM 0 HA LEU A 49 -1.764 9.238 -4.172 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -2.313 7.436 -6.571 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.144 7.428 -5.028 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.150 9.730 -7.039 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -5.559 9.130 -7.279 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -4.509 7.762 -7.719 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -5.330 7.781 -6.140 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -4.822 10.787 -5.548 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -4.609 9.468 -4.373 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.260 10.574 -4.721 1.00 1.00 H new ATOM 765 N PHE A 50 -0.284 7.311 -3.536 1.00 1.00 N ATOM 766 CA PHE A 50 0.730 6.332 -3.128 1.00 1.00 C ATOM 767 C PHE A 50 0.245 5.479 -1.962 1.00 1.00 C ATOM 768 O PHE A 50 -0.664 5.852 -1.220 1.00 1.00 O ATOM 769 CB PHE A 50 2.020 7.054 -2.709 1.00 1.00 C ATOM 770 CG PHE A 50 2.617 7.783 -3.898 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.316 7.059 -4.872 1.00 1.00 C ATOM 772 CD2 PHE A 50 2.491 9.177 -4.023 1.00 1.00 C ATOM 773 CE1 PHE A 50 3.883 7.720 -5.969 1.00 1.00 C ATOM 774 CE2 PHE A 50 3.057 9.837 -5.120 1.00 1.00 C ATOM 775 CZ PHE A 50 3.756 9.108 -6.092 1.00 1.00 C ATOM 0 H PHE A 50 -0.903 7.620 -2.787 1.00 1.00 H new ATOM 0 HA PHE A 50 0.921 5.683 -3.982 1.00 1.00 H new ATOM 0 HB2 PHE A 50 1.806 7.762 -1.908 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.738 6.334 -2.316 1.00 1.00 H new ATOM 0 HD1 PHE A 50 3.418 5.988 -4.777 1.00 1.00 H new ATOM 0 HD2 PHE A 50 1.957 9.740 -3.272 1.00 1.00 H new ATOM 0 HE1 PHE A 50 4.418 7.158 -6.720 1.00 1.00 H new ATOM 0 HE2 PHE A 50 2.955 10.908 -5.217 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.197 9.618 -6.936 1.00 1.00 H new ATOM 785 N ALA A 51 0.883 4.324 -1.807 1.00 1.00 N ATOM 786 CA ALA A 51 0.569 3.381 -0.726 1.00 1.00 C ATOM 787 C ALA A 51 1.816 3.178 0.122 1.00 1.00 C ATOM 788 O ALA A 51 2.913 2.997 -0.404 1.00 1.00 O ATOM 789 CB ALA A 51 0.121 2.051 -1.324 1.00 1.00 C ATOM 0 H ALA A 51 1.633 4.010 -2.424 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.235 3.776 -0.105 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.112 1.351 -0.521 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -0.766 2.208 -1.937 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.921 1.642 -1.941 1.00 1.00 H new ATOM 795 N TYR A 52 1.663 3.213 1.441 1.00 1.00 N ATOM 796 CA TYR A 52 2.822 3.046 2.328 1.00 1.00 C ATOM 797 C TYR A 52 2.439 2.409 3.658 1.00 1.00 C ATOM 798 O TYR A 52 1.336 2.580 4.176 1.00 1.00 O ATOM 799 CB TYR A 52 3.450 4.419 2.580 1.00 1.00 C ATOM 800 CG TYR A 52 2.380 5.360 3.093 1.00 1.00 C ATOM 801 CD1 TYR A 52 1.482 5.943 2.190 1.00 1.00 C ATOM 802 CD2 TYR A 52 2.277 5.649 4.463 1.00 1.00 C ATOM 803 CE1 TYR A 52 0.484 6.809 2.651 1.00 1.00 C ATOM 804 CE2 TYR A 52 1.280 6.518 4.922 1.00 1.00 C ATOM 805 CZ TYR A 52 0.382 7.097 4.016 1.00 1.00 C ATOM 806 OH TYR A 52 -0.603 7.950 4.470 1.00 1.00 O ATOM 0 H TYR A 52 0.772 3.352 1.917 1.00 1.00 H new ATOM 0 HA TYR A 52 3.532 2.378 1.839 1.00 1.00 H new ATOM 0 HB2 TYR A 52 4.259 4.336 3.306 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.886 4.809 1.660 1.00 1.00 H new ATOM 0 HD1 TYR A 52 1.560 5.724 1.135 1.00 1.00 H new ATOM 0 HD2 TYR A 52 2.967 5.201 5.163 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -0.208 7.255 1.952 1.00 1.00 H new ATOM 0 HE2 TYR A 52 1.203 6.742 5.976 1.00 1.00 H new ATOM 0 HH TYR A 52 -1.385 7.890 3.882 1.00 1.00 H new ATOM 816 N VAL A 53 3.391 1.663 4.210 1.00 1.00 N ATOM 817 CA VAL A 53 3.191 0.984 5.496 1.00 1.00 C ATOM 818 C VAL A 53 3.971 1.724 6.577 1.00 1.00 C ATOM 819 O VAL A 53 5.030 2.295 6.319 1.00 1.00 O ATOM 820 CB VAL A 53 3.691 -0.467 5.405 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.866 -1.229 4.367 1.00 1.00 C ATOM 822 CG2 VAL A 53 5.166 -0.495 4.985 1.00 1.00 C ATOM 0 H VAL A 53 4.309 1.510 3.792 1.00 1.00 H new ATOM 0 HA VAL A 53 2.129 0.979 5.743 1.00 1.00 H new ATOM 0 HB VAL A 53 3.585 -0.935 6.384 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.221 -2.257 4.303 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.817 -1.225 4.662 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.971 -0.748 3.394 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.507 -1.528 4.924 1.00 1.00 H new ATOM 0 HG22 VAL A 53 5.276 -0.019 4.011 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.764 0.042 5.721 1.00 1.00 H new ATOM 832 N ASP A 54 3.437 1.718 7.794 1.00 1.00 N ATOM 833 CA ASP A 54 4.090 2.414 8.917 1.00 1.00 C ATOM 834 C ASP A 54 4.834 1.429 9.801 1.00 1.00 C ATOM 835 O ASP A 54 4.341 1.011 10.849 1.00 1.00 O ATOM 836 CB ASP A 54 3.037 3.160 9.745 1.00 1.00 C ATOM 837 CG ASP A 54 1.987 2.193 10.288 1.00 1.00 C ATOM 838 OD1 ASP A 54 2.040 1.024 9.937 1.00 1.00 O ATOM 839 OD2 ASP A 54 1.144 2.637 11.050 1.00 1.00 O ATOM 0 H ASP A 54 2.565 1.247 8.035 1.00 1.00 H new ATOM 0 HA ASP A 54 4.809 3.127 8.512 1.00 1.00 H new ATOM 0 HB2 ASP A 54 3.520 3.680 10.572 1.00 1.00 H new ATOM 0 HB3 ASP A 54 2.555 3.919 9.129 1.00 1.00 H new ATOM 844 N LEU A 55 6.037 1.059 9.371 1.00 1.00 N ATOM 845 CA LEU A 55 6.865 0.128 10.124 1.00 1.00 C ATOM 846 C LEU A 55 7.092 0.652 11.550 1.00 1.00 C ATOM 847 O LEU A 55 7.664 -0.046 12.389 1.00 1.00 O ATOM 848 CB LEU A 55 8.211 -0.062 9.408 1.00 1.00 C ATOM 849 CG LEU A 55 7.983 -0.439 7.929 1.00 1.00 C ATOM 850 CD1 LEU A 55 9.338 -0.590 7.229 1.00 1.00 C ATOM 851 CD2 LEU A 55 7.192 -1.761 7.812 1.00 1.00 C ATOM 0 H LEU A 55 6.459 1.391 8.504 1.00 1.00 H new ATOM 0 HA LEU A 55 6.355 -0.833 10.186 1.00 1.00 H new ATOM 0 HB2 LEU A 55 8.796 0.855 9.470 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.788 -0.842 9.904 1.00 1.00 H new ATOM 0 HG LEU A 55 7.403 0.353 7.454 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.180 -0.856 6.184 1.00 1.00 H new ATOM 0 HD12 LEU A 55 9.883 0.352 7.285 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.916 -1.373 7.720 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.044 -2.005 6.760 1.00 1.00 H new ATOM 0 HD22 LEU A 55 7.750 -2.563 8.295 1.00 1.00 H new ATOM 0 HD23 LEU A 55 6.223 -1.649 8.298 1.00 1.00 H new ATOM 863 N SER A 56 6.629 1.870 11.811 1.00 1.00 N ATOM 864 CA SER A 56 6.750 2.515 13.131 1.00 1.00 C ATOM 865 C SER A 56 8.055 2.150 13.848 1.00 1.00 C ATOM 866 O SER A 56 9.100 2.754 13.607 1.00 1.00 O ATOM 867 CB SER A 56 5.548 2.124 13.992 1.00 1.00 C ATOM 868 OG SER A 56 5.647 2.763 15.259 1.00 1.00 O ATOM 0 H SER A 56 6.156 2.447 11.116 1.00 1.00 H new ATOM 0 HA SER A 56 6.769 3.594 12.974 1.00 1.00 H new ATOM 0 HB2 SER A 56 4.622 2.415 13.497 1.00 1.00 H new ATOM 0 HB3 SER A 56 5.515 1.042 14.120 1.00 1.00 H new ATOM 0 HG SER A 56 4.877 2.515 15.812 1.00 1.00 H new ATOM 874 N GLY A 57 8.000 1.146 14.718 1.00 1.00 N ATOM 875 CA GLY A 57 9.175 0.693 15.481 1.00 1.00 C ATOM 876 C GLY A 57 9.566 -0.718 15.080 1.00 1.00 C ATOM 877 O GLY A 57 9.543 -1.640 15.895 1.00 1.00 O ATOM 0 H GLY A 57 7.148 0.621 14.918 1.00 1.00 H new ATOM 0 HA2 GLY A 57 10.011 1.370 15.307 1.00 1.00 H new ATOM 0 HA3 GLY A 57 8.956 0.725 16.548 1.00 1.00 H new ATOM 881 N SER A 58 9.935 -0.884 13.814 1.00 1.00 N ATOM 882 CA SER A 58 10.356 -2.227 13.236 1.00 1.00 C ATOM 883 C SER A 58 10.118 -3.421 14.196 1.00 1.00 C ATOM 884 O SER A 58 10.263 -3.266 15.408 1.00 1.00 O ATOM 885 CB SER A 58 11.842 -2.194 12.836 1.00 1.00 C ATOM 886 OG SER A 58 11.967 -1.525 11.597 1.00 1.00 O ATOM 0 H SER A 58 9.963 -0.121 13.137 1.00 1.00 H new ATOM 0 HA SER A 58 9.724 -2.385 12.362 1.00 1.00 H new ATOM 0 HB2 SER A 58 12.427 -1.684 13.601 1.00 1.00 H new ATOM 0 HB3 SER A 58 12.234 -3.208 12.758 1.00 1.00 H new ATOM 0 HG SER A 58 12.911 -1.497 11.334 1.00 1.00 H new ATOM 892 N GLU A 59 9.743 -4.576 13.659 1.00 1.00 N ATOM 893 CA GLU A 59 9.466 -5.760 14.471 1.00 1.00 C ATOM 894 C GLU A 59 10.150 -6.985 13.863 1.00 1.00 C ATOM 895 O GLU A 59 9.507 -7.781 13.180 1.00 1.00 O ATOM 896 CB GLU A 59 7.948 -5.985 14.525 1.00 1.00 C ATOM 897 CG GLU A 59 7.248 -4.725 15.058 1.00 1.00 C ATOM 898 CD GLU A 59 7.696 -4.428 16.488 1.00 1.00 C ATOM 899 OE1 GLU A 59 7.990 -5.370 17.205 1.00 1.00 O ATOM 900 OE2 GLU A 59 7.742 -3.262 16.842 1.00 1.00 O ATOM 0 H GLU A 59 9.622 -4.720 12.657 1.00 1.00 H new ATOM 0 HA GLU A 59 9.852 -5.609 15.479 1.00 1.00 H new ATOM 0 HB2 GLU A 59 7.572 -6.226 13.531 1.00 1.00 H new ATOM 0 HB3 GLU A 59 7.721 -6.836 15.167 1.00 1.00 H new ATOM 0 HG2 GLU A 59 7.477 -3.875 14.415 1.00 1.00 H new ATOM 0 HG3 GLU A 59 6.167 -4.863 15.031 1.00 1.00 H new ATOM 907 N PRO A 60 11.414 -7.185 14.119 1.00 1.00 N ATOM 908 CA PRO A 60 12.160 -8.361 13.573 1.00 1.00 C ATOM 909 C PRO A 60 11.417 -9.679 13.805 1.00 1.00 C ATOM 910 O PRO A 60 10.826 -9.912 14.859 1.00 1.00 O ATOM 911 CB PRO A 60 13.501 -8.326 14.344 1.00 1.00 C ATOM 912 CG PRO A 60 13.703 -6.878 14.681 1.00 1.00 C ATOM 913 CD PRO A 60 12.295 -6.318 14.940 1.00 1.00 C ATOM 0 HA PRO A 60 12.285 -8.305 12.492 1.00 1.00 H new ATOM 0 HB2 PRO A 60 13.458 -8.941 15.243 1.00 1.00 H new ATOM 0 HB3 PRO A 60 14.319 -8.710 13.735 1.00 1.00 H new ATOM 0 HG2 PRO A 60 14.339 -6.764 15.559 1.00 1.00 H new ATOM 0 HG3 PRO A 60 14.192 -6.349 13.863 1.00 1.00 H new ATOM 0 HD2 PRO A 60 12.033 -6.367 15.997 1.00 1.00 H new ATOM 0 HD3 PRO A 60 12.219 -5.273 14.641 1.00 1.00 H new ATOM 921 N GLY A 61 11.451 -10.549 12.800 1.00 1.00 N ATOM 922 CA GLY A 61 10.788 -11.860 12.861 1.00 1.00 C ATOM 923 C GLY A 61 9.662 -11.940 11.836 1.00 1.00 C ATOM 924 O GLY A 61 9.889 -12.227 10.662 1.00 1.00 O ATOM 0 H GLY A 61 11.936 -10.372 11.920 1.00 1.00 H new ATOM 0 HA2 GLY A 61 11.515 -12.650 12.673 1.00 1.00 H new ATOM 0 HA3 GLY A 61 10.389 -12.025 13.862 1.00 1.00 H new ATOM 928 N GLU A 62 8.434 -11.693 12.281 1.00 1.00 N ATOM 929 CA GLU A 62 7.266 -11.736 11.402 1.00 1.00 C ATOM 930 C GLU A 62 6.084 -11.065 12.089 1.00 1.00 C ATOM 931 O GLU A 62 5.878 -11.243 13.290 1.00 1.00 O ATOM 932 CB GLU A 62 6.925 -13.188 11.052 1.00 1.00 C ATOM 933 CG GLU A 62 6.662 -13.990 12.333 1.00 1.00 C ATOM 934 CD GLU A 62 6.465 -15.464 11.996 1.00 1.00 C ATOM 935 OE1 GLU A 62 7.166 -15.949 11.122 1.00 1.00 O ATOM 936 OE2 GLU A 62 5.621 -16.088 12.617 1.00 1.00 O ATOM 0 H GLU A 62 8.219 -11.460 13.250 1.00 1.00 H new ATOM 0 HA GLU A 62 7.490 -11.201 10.479 1.00 1.00 H new ATOM 0 HB2 GLU A 62 6.046 -13.218 10.408 1.00 1.00 H new ATOM 0 HB3 GLU A 62 7.746 -13.638 10.494 1.00 1.00 H new ATOM 0 HG2 GLU A 62 7.499 -13.875 13.022 1.00 1.00 H new ATOM 0 HG3 GLU A 62 5.777 -13.603 12.839 1.00 1.00 H new ATOM 943 N HIS A 63 5.302 -10.300 11.335 1.00 1.00 N ATOM 944 CA HIS A 63 4.158 -9.593 11.927 1.00 1.00 C ATOM 945 C HIS A 63 3.066 -9.293 10.894 1.00 1.00 C ATOM 946 O HIS A 63 3.023 -9.853 9.800 1.00 1.00 O ATOM 947 CB HIS A 63 4.671 -8.282 12.570 1.00 1.00 C ATOM 948 CG HIS A 63 3.703 -7.771 13.608 1.00 1.00 C ATOM 949 ND1 HIS A 63 3.339 -8.525 14.714 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.024 -6.583 13.726 1.00 1.00 C ATOM 951 CE1 HIS A 63 2.479 -7.789 15.442 1.00 1.00 C ATOM 952 NE2 HIS A 63 2.252 -6.598 14.885 1.00 1.00 N ATOM 0 H HIS A 63 5.429 -10.151 10.334 1.00 1.00 H new ATOM 0 HA HIS A 63 3.704 -10.234 12.682 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.644 -8.455 13.030 1.00 1.00 H new ATOM 0 HB3 HIS A 63 4.813 -7.526 11.798 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.080 -5.762 13.026 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.027 -8.122 16.365 1.00 1.00 H new ATOM 0 HE2 HIS A 63 1.643 -5.857 15.233 1.00 1.00 H new ATOM 961 N ASP A 64 2.174 -8.385 11.279 1.00 1.00 N ATOM 962 CA ASP A 64 1.057 -7.963 10.422 1.00 1.00 C ATOM 963 C ASP A 64 1.125 -6.458 10.220 1.00 1.00 C ATOM 964 O ASP A 64 1.521 -5.709 11.113 1.00 1.00 O ATOM 965 CB ASP A 64 -0.276 -8.341 11.074 1.00 1.00 C ATOM 966 CG ASP A 64 -0.369 -7.734 12.469 1.00 1.00 C ATOM 967 OD1 ASP A 64 0.522 -7.986 13.264 1.00 1.00 O ATOM 968 OD2 ASP A 64 -1.329 -7.023 12.723 1.00 1.00 O ATOM 0 H ASP A 64 2.199 -7.920 12.187 1.00 1.00 H new ATOM 0 HA ASP A 64 1.129 -8.465 9.457 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -1.103 -7.987 10.459 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.365 -9.426 11.134 1.00 1.00 H new ATOM 973 N TYR A 65 0.742 -5.996 9.033 1.00 1.00 N ATOM 974 CA TYR A 65 0.776 -4.555 8.731 1.00 1.00 C ATOM 975 C TYR A 65 -0.410 -4.133 7.875 1.00 1.00 C ATOM 976 O TYR A 65 -0.793 -4.821 6.929 1.00 1.00 O ATOM 977 CB TYR A 65 2.084 -4.209 8.018 1.00 1.00 C ATOM 978 CG TYR A 65 3.247 -4.538 8.937 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.539 -3.691 10.013 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.022 -5.692 8.729 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.602 -3.987 10.873 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.085 -5.986 9.591 1.00 1.00 C ATOM 983 CZ TYR A 65 5.375 -5.135 10.664 1.00 1.00 C ATOM 984 OH TYR A 65 6.422 -5.426 11.515 1.00 1.00 O ATOM 0 H TYR A 65 0.408 -6.583 8.269 1.00 1.00 H new ATOM 0 HA TYR A 65 0.715 -4.011 9.674 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.167 -4.772 7.089 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.101 -3.152 7.753 1.00 1.00 H new ATOM 0 HD1 TYR A 65 2.942 -2.807 10.180 1.00 1.00 H new ATOM 0 HD2 TYR A 65 3.797 -6.352 7.904 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.826 -3.329 11.699 1.00 1.00 H new ATOM 0 HE2 TYR A 65 5.682 -6.871 9.428 1.00 1.00 H new ATOM 0 HH TYR A 65 6.854 -6.258 11.229 1.00 1.00 H new ATOM 994 N GLU A 66 -0.983 -2.984 8.217 1.00 1.00 N ATOM 995 CA GLU A 66 -2.145 -2.442 7.499 1.00 1.00 C ATOM 996 C GLU A 66 -1.710 -1.459 6.415 1.00 1.00 C ATOM 997 O GLU A 66 -0.771 -0.684 6.599 1.00 1.00 O ATOM 998 CB GLU A 66 -3.063 -1.722 8.496 1.00 1.00 C ATOM 999 CG GLU A 66 -3.633 -2.733 9.499 1.00 1.00 C ATOM 1000 CD GLU A 66 -4.508 -2.029 10.535 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -4.646 -0.820 10.452 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -5.032 -2.715 11.399 1.00 1.00 O ATOM 0 H GLU A 66 -0.663 -2.402 8.991 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.675 -3.268 7.024 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.506 -0.947 9.023 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.875 -1.226 7.964 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -4.219 -3.486 8.972 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -2.818 -3.256 9.999 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.411 -1.489 5.285 1.00 1.00 N ATOM 1010 CA VAL A 67 -2.116 -0.598 4.155 1.00 1.00 C ATOM 1011 C VAL A 67 -3.017 0.628 4.204 1.00 1.00 C ATOM 1012 O VAL A 67 -4.223 0.528 4.436 1.00 1.00 O ATOM 1013 CB VAL A 67 -2.334 -1.343 2.832 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -1.976 -0.433 1.646 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -1.445 -2.590 2.806 1.00 1.00 C ATOM 0 H VAL A 67 -3.193 -2.123 5.122 1.00 1.00 H new ATOM 0 HA VAL A 67 -1.076 -0.279 4.223 1.00 1.00 H new ATOM 0 HB VAL A 67 -3.382 -1.632 2.751 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -2.135 -0.973 0.712 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.609 0.454 1.664 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -0.930 -0.134 1.719 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -1.595 -3.124 1.868 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -0.400 -2.293 2.891 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.707 -3.241 3.640 1.00 1.00 H new ATOM 1025 N LYS A 68 -2.436 1.802 3.983 1.00 1.00 N ATOM 1026 CA LYS A 68 -3.186 3.067 4.002 1.00 1.00 C ATOM 1027 C LYS A 68 -2.835 3.914 2.782 1.00 1.00 C ATOM 1028 O LYS A 68 -1.739 3.834 2.229 1.00 1.00 O ATOM 1029 CB LYS A 68 -2.871 3.836 5.289 1.00 1.00 C ATOM 1030 CG LYS A 68 -1.361 4.090 5.398 1.00 1.00 C ATOM 1031 CD LYS A 68 -1.028 4.674 6.782 1.00 1.00 C ATOM 1032 CE LYS A 68 -1.754 6.019 7.005 1.00 1.00 C ATOM 1033 NZ LYS A 68 -3.129 5.756 7.522 1.00 1.00 N ATOM 0 H LYS A 68 -1.441 1.911 3.787 1.00 1.00 H new ATOM 0 HA LYS A 68 -4.253 2.845 3.971 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -3.408 4.784 5.295 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -3.215 3.269 6.154 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -0.815 3.159 5.245 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -1.042 4.779 4.616 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -1.319 3.967 7.559 1.00 1.00 H new ATOM 0 HD3 LYS A 68 0.049 4.819 6.870 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -1.198 6.633 7.713 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -1.805 6.578 6.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -3.829 6.043 6.808 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -3.236 4.741 7.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -3.282 6.300 8.395 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.789 4.732 2.351 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.599 5.596 1.167 1.00 1.00 C ATOM 1049 C VAL A 69 -4.013 7.036 1.464 1.00 1.00 C ATOM 1050 O VAL A 69 -4.967 7.294 2.198 1.00 1.00 O ATOM 1051 CB VAL A 69 -4.431 5.047 -0.002 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -4.201 5.895 -1.262 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -4.011 3.600 -0.274 1.00 1.00 C ATOM 0 H VAL A 69 -4.703 4.823 2.795 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.541 5.595 0.903 1.00 1.00 H new ATOM 0 HB VAL A 69 -5.489 5.086 0.258 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -4.796 5.495 -2.083 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -4.498 6.925 -1.066 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -3.145 5.867 -1.532 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -4.596 3.201 -1.103 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -2.952 3.571 -0.530 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -4.186 2.997 0.617 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.284 7.973 0.869 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.557 9.398 1.063 1.00 1.00 C ATOM 1065 C GLU A 70 -4.905 9.783 0.412 1.00 1.00 C ATOM 1066 O GLU A 70 -5.105 9.476 -0.764 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.419 10.217 0.430 1.00 1.00 C ATOM 1068 CG GLU A 70 -2.519 11.693 0.850 1.00 1.00 C ATOM 1069 CD GLU A 70 -2.205 11.856 2.337 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -1.651 10.932 2.912 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -2.522 12.901 2.877 1.00 1.00 O ATOM 0 H GLU A 70 -2.499 7.775 0.248 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.617 9.610 2.130 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -1.456 9.810 0.737 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.467 10.138 -0.656 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.826 12.292 0.259 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.521 12.068 0.642 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.805 10.428 1.104 1.00 1.00 N ATOM 1079 CA PRO A 71 -7.122 10.837 0.513 1.00 1.00 C ATOM 1080 C PRO A 71 -7.013 11.335 -0.936 1.00 1.00 C ATOM 1081 O PRO A 71 -5.975 11.836 -1.371 1.00 1.00 O ATOM 1082 CB PRO A 71 -7.599 11.957 1.454 1.00 1.00 C ATOM 1083 CG PRO A 71 -7.056 11.572 2.798 1.00 1.00 C ATOM 1084 CD PRO A 71 -5.713 10.859 2.526 1.00 1.00 C ATOM 0 HA PRO A 71 -7.812 9.995 0.446 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -7.222 12.929 1.137 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -8.687 12.026 1.470 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -6.911 12.451 3.427 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -7.748 10.914 3.324 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -4.868 11.529 2.684 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -5.573 10.007 3.191 1.00 1.00 H new ATOM 1092 N ILE A 72 -8.104 11.202 -1.682 1.00 1.00 N ATOM 1093 CA ILE A 72 -8.139 11.625 -3.103 1.00 1.00 C ATOM 1094 C ILE A 72 -8.847 12.996 -3.246 1.00 1.00 C ATOM 1095 O ILE A 72 -9.668 13.361 -2.402 1.00 1.00 O ATOM 1096 CB ILE A 72 -8.864 10.541 -3.986 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -9.818 9.679 -3.103 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -7.831 9.625 -4.696 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -9.057 8.590 -2.311 1.00 1.00 C ATOM 0 H ILE A 72 -8.980 10.807 -1.340 1.00 1.00 H new ATOM 0 HA ILE A 72 -7.112 11.727 -3.454 1.00 1.00 H new ATOM 0 HB ILE A 72 -9.449 11.058 -4.747 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -10.350 10.327 -2.407 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -10.569 9.207 -3.737 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -8.356 8.885 -5.300 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -7.190 10.229 -5.338 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.221 9.117 -3.949 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -9.763 8.016 -1.711 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.546 7.924 -3.007 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -8.324 9.062 -1.656 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.555 13.748 -4.271 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.199 15.092 -4.508 1.00 1.00 C ATOM 1113 C PRO A 73 -10.700 15.140 -4.124 1.00 1.00 C ATOM 1114 O PRO A 73 -11.064 15.168 -2.948 1.00 1.00 O ATOM 1115 CB PRO A 73 -8.967 15.310 -6.025 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.655 14.644 -6.310 1.00 1.00 C ATOM 1117 CD PRO A 73 -7.566 13.443 -5.344 1.00 1.00 C ATOM 0 HA PRO A 73 -8.772 15.876 -3.882 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -9.771 14.870 -6.616 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -8.934 16.371 -6.272 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.603 14.314 -7.348 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -6.826 15.333 -6.152 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -7.807 12.508 -5.851 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.561 13.335 -4.937 1.00 1.00 H new ATOM 1125 N ASN A 74 -11.566 15.153 -5.133 1.00 1.00 N ATOM 1126 CA ASN A 74 -13.025 15.204 -4.930 1.00 1.00 C ATOM 1127 C ASN A 74 -13.668 13.847 -5.223 1.00 1.00 C ATOM 1128 O ASN A 74 -14.878 13.757 -5.432 1.00 1.00 O ATOM 1129 CB ASN A 74 -13.631 16.269 -5.850 1.00 1.00 C ATOM 1130 CG ASN A 74 -13.134 17.655 -5.440 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -12.926 17.914 -4.253 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -12.923 18.561 -6.354 1.00 1.00 N ATOM 0 H ASN A 74 -11.286 15.129 -6.113 1.00 1.00 H new ATOM 0 HA ASN A 74 -13.220 15.458 -3.888 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -13.357 16.066 -6.885 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -14.719 16.233 -5.796 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -12.585 19.486 -6.087 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -13.096 18.345 -7.336 1.00 1.00 H new ATOM 1139 N ILE A 75 -12.873 12.782 -5.235 1.00 1.00 N ATOM 1140 CA ILE A 75 -13.381 11.423 -5.505 1.00 1.00 C ATOM 1141 C ILE A 75 -13.480 10.629 -4.201 1.00 1.00 C ATOM 1142 O ILE A 75 -12.937 11.023 -3.168 1.00 1.00 O ATOM 1143 CB ILE A 75 -12.446 10.691 -6.497 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -12.362 11.499 -7.809 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -12.993 9.268 -6.791 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -11.276 10.915 -8.724 1.00 1.00 C ATOM 0 H ILE A 75 -11.869 12.825 -5.061 1.00 1.00 H new ATOM 0 HA ILE A 75 -14.374 11.503 -5.948 1.00 1.00 H new ATOM 0 HB ILE A 75 -11.452 10.603 -6.058 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -13.325 11.480 -8.318 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -12.139 12.543 -7.588 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -12.329 8.760 -7.490 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -13.046 8.700 -5.862 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -13.989 9.344 -7.227 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -11.227 11.494 -9.646 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -10.312 10.957 -8.217 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -11.517 9.878 -8.959 1.00 1.00 H new ATOM 1158 N LYS A 76 -14.184 9.502 -4.253 1.00 1.00 N ATOM 1159 CA LYS A 76 -14.370 8.637 -3.070 1.00 1.00 C ATOM 1160 C LYS A 76 -13.787 7.244 -3.297 1.00 1.00 C ATOM 1161 O LYS A 76 -14.193 6.508 -4.195 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.865 8.513 -2.754 1.00 1.00 C ATOM 1163 CG LYS A 76 -16.060 7.742 -1.438 1.00 1.00 C ATOM 1164 CD LYS A 76 -17.542 7.742 -1.058 1.00 1.00 C ATOM 1165 CE LYS A 76 -17.726 7.015 0.276 1.00 1.00 C ATOM 1166 NZ LYS A 76 -17.383 5.573 0.109 1.00 1.00 N ATOM 0 H LYS A 76 -14.639 9.158 -5.098 1.00 1.00 H new ATOM 0 HA LYS A 76 -13.844 9.096 -2.233 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -16.312 9.504 -2.675 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -16.376 7.997 -3.567 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.702 6.718 -1.548 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -15.471 8.202 -0.645 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -17.909 8.766 -0.980 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -18.128 7.252 -1.836 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -17.090 7.465 1.038 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -18.756 7.117 0.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -17.772 5.029 0.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -17.789 5.221 -0.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -16.349 5.462 0.086 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.825 6.868 -2.459 1.00 1.00 N ATOM 1181 CA ILE A 77 -12.194 5.558 -2.558 1.00 1.00 C ATOM 1182 C ILE A 77 -13.234 4.455 -2.390 1.00 1.00 C ATOM 1183 O ILE A 77 -14.165 4.574 -1.593 1.00 1.00 O ATOM 1184 CB ILE A 77 -11.105 5.425 -1.482 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.361 4.089 -1.650 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.724 5.507 -0.080 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -9.122 4.072 -0.747 1.00 1.00 C ATOM 0 H ILE A 77 -12.466 7.453 -1.704 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.738 5.458 -3.543 1.00 1.00 H new ATOM 0 HB ILE A 77 -10.397 6.246 -1.599 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -11.021 3.260 -1.395 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -10.067 3.954 -2.691 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.939 5.411 0.670 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -12.226 6.467 0.041 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.447 4.701 0.046 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.597 3.125 -0.868 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.459 4.892 -1.023 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.428 4.187 0.293 1.00 1.00 H new ATOM 1199 N VAL A 78 -13.078 3.367 -3.136 1.00 1.00 N ATOM 1200 CA VAL A 78 -14.013 2.232 -3.065 1.00 1.00 C ATOM 1201 C VAL A 78 -13.482 1.153 -2.121 1.00 1.00 C ATOM 1202 O VAL A 78 -14.201 0.675 -1.243 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.224 1.658 -4.474 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.178 0.452 -4.430 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -14.834 2.744 -5.365 1.00 1.00 C ATOM 0 H VAL A 78 -12.314 3.240 -3.800 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.968 2.581 -2.672 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.263 1.332 -4.871 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.315 0.059 -5.438 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.754 -0.324 -3.793 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.142 0.765 -4.029 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -14.988 2.347 -6.368 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.790 3.061 -4.949 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.158 3.598 -5.412 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.225 0.756 -2.287 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.631 -0.274 -1.429 1.00 1.00 C ATOM 1217 C GLU A 79 -10.137 -0.429 -1.712 1.00 1.00 C ATOM 1218 O GLU A 79 -9.707 -0.513 -2.863 1.00 1.00 O ATOM 1219 CB GLU A 79 -12.325 -1.629 -1.654 1.00 1.00 C ATOM 1220 CG GLU A 79 -11.784 -2.667 -0.656 1.00 1.00 C ATOM 1221 CD GLU A 79 -12.573 -3.971 -0.767 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -13.640 -3.951 -1.361 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -12.099 -4.970 -0.252 1.00 1.00 O ATOM 0 H GLU A 79 -11.598 1.126 -3.001 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.768 0.041 -0.395 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -13.403 -1.520 -1.531 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -12.154 -1.970 -2.675 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -10.728 -2.855 -0.853 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -11.855 -2.277 0.359 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.341 -0.477 -0.648 1.00 1.00 N ATOM 1231 CA ILE A 80 -7.881 -0.644 -0.766 1.00 1.00 C ATOM 1232 C ILE A 80 -7.513 -2.098 -0.483 1.00 1.00 C ATOM 1233 O ILE A 80 -7.967 -2.698 0.490 1.00 1.00 O ATOM 1234 CB ILE A 80 -7.149 0.294 0.224 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -5.617 0.068 0.198 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -7.654 0.060 1.651 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -5.044 0.260 -1.216 1.00 1.00 C ATOM 0 H ILE A 80 -9.676 -0.403 0.313 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.572 -0.383 -1.778 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.360 1.317 -0.087 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -5.134 0.763 0.885 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -5.390 -0.938 0.550 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -7.130 0.727 2.336 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -8.724 0.261 1.696 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -7.467 -0.975 1.938 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -3.967 0.094 -1.198 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -5.510 -0.452 -1.897 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -5.249 1.275 -1.557 1.00 1.00 H new ATOM 1249 N SER A 81 -6.658 -2.672 -1.325 1.00 1.00 N ATOM 1250 CA SER A 81 -6.241 -4.077 -1.134 1.00 1.00 C ATOM 1251 C SER A 81 -4.772 -4.302 -1.557 1.00 1.00 C ATOM 1252 O SER A 81 -4.343 -3.720 -2.555 1.00 1.00 O ATOM 1253 CB SER A 81 -7.146 -5.000 -1.956 1.00 1.00 C ATOM 1254 OG SER A 81 -7.108 -4.608 -3.322 1.00 1.00 O ATOM 0 H SER A 81 -6.243 -2.207 -2.132 1.00 1.00 H new ATOM 0 HA SER A 81 -6.329 -4.306 -0.072 1.00 1.00 H new ATOM 0 HB2 SER A 81 -6.817 -6.034 -1.854 1.00 1.00 H new ATOM 0 HB3 SER A 81 -8.168 -4.952 -1.581 1.00 1.00 H new ATOM 0 HG SER A 81 -7.686 -5.199 -3.848 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.024 -5.124 -0.875 1.00 1.00 N ATOM 1261 CA PRO A 82 -4.456 -5.888 0.348 1.00 1.00 C ATOM 1262 C PRO A 82 -4.596 -4.973 1.576 1.00 1.00 C ATOM 1263 O PRO A 82 -3.780 -4.084 1.822 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.344 -6.941 0.531 1.00 1.00 C ATOM 1265 CG PRO A 82 -2.119 -6.297 -0.045 1.00 1.00 C ATOM 1266 CD PRO A 82 -2.617 -5.425 -1.214 1.00 1.00 C ATOM 0 HA PRO A 82 -5.442 -6.339 0.235 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -3.204 -7.191 1.583 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -3.586 -7.868 0.012 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -1.606 -5.693 0.703 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -1.408 -7.047 -0.391 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.027 -4.513 -1.309 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -2.542 -5.954 -2.164 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.648 -5.196 2.357 1.00 1.00 N ATOM 1275 CA ARG A 83 -5.908 -4.399 3.549 1.00 1.00 C ATOM 1276 C ARG A 83 -4.845 -4.671 4.595 1.00 1.00 C ATOM 1277 O ARG A 83 -4.431 -3.790 5.348 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.296 -4.731 4.112 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.375 -4.287 3.118 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.755 -4.667 3.664 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.888 -6.120 3.711 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.925 -6.703 4.302 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.851 -5.978 4.868 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -11.011 -8.004 4.326 1.00 1.00 N ATOM 0 H ARG A 83 -6.338 -5.927 2.184 1.00 1.00 H new ATOM 0 HA ARG A 83 -5.880 -3.343 3.281 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.377 -5.802 4.298 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.441 -4.230 5.069 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -8.318 -3.210 2.959 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.211 -4.761 2.150 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.889 -4.248 4.661 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.535 -4.242 3.033 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.168 -6.701 3.280 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.780 -4.961 4.857 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.646 -6.429 5.321 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -10.283 -8.571 3.892 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.806 -8.454 4.779 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.390 -5.918 4.648 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.363 -6.348 5.595 1.00 1.00 C ATOM 1300 C VAL A 84 -2.334 -7.202 4.864 1.00 1.00 C ATOM 1301 O VAL A 84 -2.675 -7.943 3.942 1.00 1.00 O ATOM 1302 CB VAL A 84 -4.008 -7.152 6.731 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.973 -7.434 7.826 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -5.171 -6.347 7.324 1.00 1.00 C ATOM 0 H VAL A 84 -4.723 -6.662 4.035 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.869 -5.476 6.022 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.377 -8.099 6.337 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -3.439 -8.005 8.629 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -2.146 -8.007 7.406 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.597 -6.491 8.223 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.632 -6.915 8.132 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.797 -5.400 7.714 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.912 -6.153 6.548 1.00 1.00 H new ATOM 1314 N VAL A 85 -1.071 -7.107 5.268 1.00 1.00 N ATOM 1315 CA VAL A 85 0.002 -7.884 4.622 1.00 1.00 C ATOM 1316 C VAL A 85 1.066 -8.295 5.642 1.00 1.00 C ATOM 1317 O VAL A 85 1.192 -7.730 6.729 1.00 1.00 O ATOM 1318 CB VAL A 85 0.657 -7.076 3.436 1.00 1.00 C ATOM 1319 CG1 VAL A 85 0.153 -7.596 2.074 1.00 1.00 C ATOM 1320 CG2 VAL A 85 0.306 -5.583 3.546 1.00 1.00 C ATOM 0 H VAL A 85 -0.759 -6.508 6.032 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.446 -8.787 4.208 1.00 1.00 H new ATOM 0 HB VAL A 85 1.737 -7.211 3.502 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.618 -7.024 1.271 1.00 1.00 H new ATOM 0 HG12 VAL A 85 0.414 -8.649 1.967 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -0.930 -7.483 2.020 1.00 1.00 H new ATOM 0 HG21 VAL A 85 0.765 -5.039 2.720 1.00 1.00 H new ATOM 0 HG22 VAL A 85 -0.776 -5.460 3.504 1.00 1.00 H new ATOM 0 HG23 VAL A 85 0.680 -5.190 4.492 1.00 1.00 H new ATOM 1330 N THR A 86 1.845 -9.298 5.250 1.00 1.00 N ATOM 1331 CA THR A 86 2.923 -9.833 6.090 1.00 1.00 C ATOM 1332 C THR A 86 4.283 -9.390 5.561 1.00 1.00 C ATOM 1333 O THR A 86 4.624 -9.631 4.402 1.00 1.00 O ATOM 1334 CB THR A 86 2.850 -11.366 6.089 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.565 -11.774 6.539 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.923 -11.950 7.017 1.00 1.00 C ATOM 0 H THR A 86 1.752 -9.764 4.347 1.00 1.00 H new ATOM 0 HA THR A 86 2.802 -9.454 7.105 1.00 1.00 H new ATOM 0 HB THR A 86 3.023 -11.730 5.076 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.514 -12.753 6.538 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.860 -13.038 7.007 1.00 1.00 H new ATOM 0 HG22 THR A 86 4.910 -11.641 6.672 1.00 1.00 H new ATOM 0 HG23 THR A 86 3.763 -11.587 8.032 1.00 1.00 H new ATOM 1344 N LEU A 87 5.065 -8.748 6.422 1.00 1.00 N ATOM 1345 CA LEU A 87 6.410 -8.272 6.040 1.00 1.00 C ATOM 1346 C LEU A 87 7.436 -8.707 7.083 1.00 1.00 C ATOM 1347 O LEU A 87 7.376 -8.302 8.244 1.00 1.00 O ATOM 1348 CB LEU A 87 6.414 -6.736 5.917 1.00 1.00 C ATOM 1349 CG LEU A 87 5.430 -6.265 4.820 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.324 -4.728 4.859 1.00 1.00 C ATOM 1351 CD2 LEU A 87 5.903 -6.709 3.412 1.00 1.00 C ATOM 0 H LEU A 87 4.802 -8.541 7.386 1.00 1.00 H new ATOM 0 HA LEU A 87 6.674 -8.707 5.076 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.139 -6.290 6.873 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.420 -6.389 5.681 1.00 1.00 H new ATOM 0 HG LEU A 87 4.458 -6.718 5.014 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.632 -4.391 4.087 1.00 1.00 H new ATOM 0 HD12 LEU A 87 4.959 -4.413 5.837 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.306 -4.291 4.680 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.191 -6.363 2.663 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.884 -6.280 3.206 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.968 -7.796 3.376 1.00 1.00 H new ATOM 1363 N GLN A 88 8.386 -9.533 6.657 1.00 1.00 N ATOM 1364 CA GLN A 88 9.436 -10.035 7.552 1.00 1.00 C ATOM 1365 C GLN A 88 10.700 -9.193 7.413 1.00 1.00 C ATOM 1366 O GLN A 88 11.381 -9.232 6.387 1.00 1.00 O ATOM 1367 CB GLN A 88 9.747 -11.497 7.199 1.00 1.00 C ATOM 1368 CG GLN A 88 8.516 -12.361 7.495 1.00 1.00 C ATOM 1369 CD GLN A 88 8.775 -13.809 7.103 1.00 1.00 C ATOM 1370 OE1 GLN A 88 9.882 -14.155 6.691 1.00 1.00 O ATOM 1371 NE2 GLN A 88 7.811 -14.682 7.210 1.00 1.00 N ATOM 0 H GLN A 88 8.455 -9.872 5.698 1.00 1.00 H new ATOM 0 HA GLN A 88 9.086 -9.971 8.582 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.019 -11.579 6.147 1.00 1.00 H new ATOM 0 HB3 GLN A 88 10.601 -11.849 7.778 1.00 1.00 H new ATOM 0 HG2 GLN A 88 8.270 -12.303 8.555 1.00 1.00 H new ATOM 0 HG3 GLN A 88 7.655 -11.978 6.947 1.00 1.00 H new ATOM 0 HE21 GLN A 88 6.895 -14.391 7.552 1.00 1.00 H new ATOM 0 HE22 GLN A 88 7.973 -15.655 6.952 1.00 1.00 H new ATOM 1380 N LEU A 89 11.010 -8.431 8.456 1.00 1.00 N ATOM 1381 CA LEU A 89 12.193 -7.574 8.456 1.00 1.00 C ATOM 1382 C LEU A 89 13.440 -8.404 8.741 1.00 1.00 C ATOM 1383 O LEU A 89 13.382 -9.421 9.433 1.00 1.00 O ATOM 1384 CB LEU A 89 12.048 -6.481 9.523 1.00 1.00 C ATOM 1385 CG LEU A 89 10.703 -5.749 9.365 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.578 -4.690 10.470 1.00 1.00 C ATOM 1387 CD2 LEU A 89 10.605 -5.067 7.983 1.00 1.00 C ATOM 0 H LEU A 89 10.459 -8.388 9.313 1.00 1.00 H new ATOM 0 HA LEU A 89 12.289 -7.109 7.475 1.00 1.00 H new ATOM 0 HB2 LEU A 89 12.113 -6.924 10.517 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.869 -5.769 9.437 1.00 1.00 H new ATOM 0 HG LEU A 89 9.895 -6.476 9.446 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.628 -4.166 10.366 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.620 -5.175 11.445 1.00 1.00 H new ATOM 0 HD13 LEU A 89 11.397 -3.976 10.384 1.00 1.00 H new ATOM 0 HD21 LEU A 89 9.646 -4.557 7.896 1.00 1.00 H new ATOM 0 HD22 LEU A 89 11.412 -4.342 7.877 1.00 1.00 H new ATOM 0 HD23 LEU A 89 10.688 -5.820 7.199 1.00 1.00 H new ATOM 1399 N GLU A 90 14.575 -7.966 8.208 1.00 1.00 N ATOM 1400 CA GLU A 90 15.851 -8.678 8.408 1.00 1.00 C ATOM 1401 C GLU A 90 16.943 -7.723 8.883 1.00 1.00 C ATOM 1402 O GLU A 90 17.049 -6.579 8.441 1.00 1.00 O ATOM 1403 CB GLU A 90 16.283 -9.355 7.101 1.00 1.00 C ATOM 1404 CG GLU A 90 17.532 -10.219 7.341 1.00 1.00 C ATOM 1405 CD GLU A 90 17.883 -11.009 6.082 1.00 1.00 C ATOM 1406 OE1 GLU A 90 17.036 -11.109 5.208 1.00 1.00 O ATOM 1407 OE2 GLU A 90 18.993 -11.508 6.013 1.00 1.00 O ATOM 0 H GLU A 90 14.647 -7.125 7.635 1.00 1.00 H new ATOM 0 HA GLU A 90 15.701 -9.436 9.177 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.472 -9.974 6.717 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.494 -8.600 6.344 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.371 -9.585 7.626 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.354 -10.904 8.170 1.00 1.00 H new ATOM 1414 N HIS A 91 17.768 -8.223 9.798 1.00 1.00 N ATOM 1415 CA HIS A 91 18.857 -7.425 10.350 1.00 1.00 C ATOM 1416 C HIS A 91 19.887 -7.101 9.269 1.00 1.00 C ATOM 1417 O HIS A 91 20.398 -7.993 8.591 1.00 1.00 O ATOM 1418 CB HIS A 91 19.523 -8.204 11.488 1.00 1.00 C ATOM 1419 CG HIS A 91 20.559 -7.342 12.159 1.00 1.00 C ATOM 1420 ND1 HIS A 91 20.580 -5.965 12.016 1.00 1.00 N ATOM 1421 CD2 HIS A 91 21.605 -7.650 12.989 1.00 1.00 C ATOM 1422 CE1 HIS A 91 21.611 -5.498 12.745 1.00 1.00 C ATOM 1423 NE2 HIS A 91 22.269 -6.484 13.359 1.00 1.00 N ATOM 0 H HIS A 91 17.704 -9.170 10.171 1.00 1.00 H new ATOM 0 HA HIS A 91 18.454 -6.487 10.731 1.00 1.00 H new ATOM 0 HB2 HIS A 91 18.773 -8.518 12.214 1.00 1.00 H new ATOM 0 HB3 HIS A 91 19.988 -9.110 11.098 1.00 1.00 H new ATOM 0 HD2 HIS A 91 21.873 -8.646 13.308 1.00 1.00 H new ATOM 0 HE1 HIS A 91 21.874 -4.453 12.823 1.00 1.00 H new ATOM 0 HE2 HIS A 91 23.083 -6.401 13.968 1.00 1.00 H new ATOM 1432 N HIS A 92 20.193 -5.817 9.113 1.00 1.00 N ATOM 1433 CA HIS A 92 21.157 -5.359 8.111 1.00 1.00 C ATOM 1434 C HIS A 92 22.584 -5.728 8.512 1.00 1.00 C ATOM 1435 O HIS A 92 23.507 -4.921 8.390 1.00 1.00 O ATOM 1436 CB HIS A 92 21.041 -3.835 7.945 1.00 1.00 C ATOM 1437 CG HIS A 92 21.941 -3.371 6.829 1.00 1.00 C ATOM 1438 ND1 HIS A 92 21.794 -3.821 5.527 1.00 1.00 N ATOM 1439 CD2 HIS A 92 23.001 -2.498 6.807 1.00 1.00 C ATOM 1440 CE1 HIS A 92 22.740 -3.220 4.781 1.00 1.00 C ATOM 1441 NE2 HIS A 92 23.502 -2.403 5.512 1.00 1.00 N ATOM 0 H HIS A 92 19.785 -5.067 9.671 1.00 1.00 H new ATOM 0 HA HIS A 92 20.931 -5.851 7.165 1.00 1.00 H new ATOM 0 HB2 HIS A 92 20.008 -3.562 7.729 1.00 1.00 H new ATOM 0 HB3 HIS A 92 21.314 -3.337 8.875 1.00 1.00 H new ATOM 0 HD2 HIS A 92 23.387 -1.966 7.664 1.00 1.00 H new ATOM 0 HE1 HIS A 92 22.867 -3.379 3.720 1.00 1.00 H new ATOM 0 HE2 HIS A 92 24.284 -1.832 5.190 1.00 1.00 H new