USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 23:sc= 0.127! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -1.23! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 146:sc= -0.239! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.489 -9.095 -7.594 1.00 0.00 N ATOM 2 CA SER A 1 -9.376 -8.405 -6.883 1.00 0.00 C ATOM 3 C SER A 1 -8.040 -9.006 -7.321 1.00 0.00 C ATOM 4 O SER A 1 -7.873 -10.209 -7.364 1.00 0.00 O ATOM 5 CB SER A 1 -9.546 -8.586 -5.374 1.00 0.00 C ATOM 6 OG SER A 1 -9.283 -9.940 -5.032 1.00 0.00 O ATOM 0 H1 SER A 1 -11.398 -8.686 -7.296 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.374 -8.972 -8.620 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.473 -10.109 -7.363 1.00 0.00 H new ATOM 0 HA SER A 1 -9.393 -7.343 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.866 -7.924 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.558 -8.313 -5.075 1.00 0.00 H new ATOM 0 HG SER A 1 -8.719 -10.348 -5.722 1.00 0.00 H new ATOM 14 N GLU A 2 -7.085 -8.179 -7.649 1.00 0.00 N ATOM 15 CA GLU A 2 -5.761 -8.704 -8.084 1.00 0.00 C ATOM 16 C GLU A 2 -4.648 -7.849 -7.475 1.00 0.00 C ATOM 17 O GLU A 2 -4.870 -6.731 -7.057 1.00 0.00 O ATOM 18 CB GLU A 2 -5.668 -8.652 -9.611 1.00 0.00 C ATOM 19 CG GLU A 2 -6.361 -9.878 -10.207 1.00 0.00 C ATOM 20 CD GLU A 2 -6.443 -9.730 -11.727 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.501 -8.603 -12.191 1.00 0.00 O ATOM 22 OE2 GLU A 2 -6.449 -10.746 -12.403 1.00 0.00 O ATOM 0 H GLU A 2 -7.165 -7.162 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.651 -9.735 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.135 -7.740 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.624 -8.625 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.810 -10.782 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.361 -9.983 -9.787 1.00 0.00 H new ATOM 29 N ILE A 3 -3.452 -8.367 -7.420 1.00 0.00 N ATOM 30 CA ILE A 3 -2.327 -7.583 -6.837 1.00 0.00 C ATOM 31 C ILE A 3 -1.722 -6.679 -7.913 1.00 0.00 C ATOM 32 O ILE A 3 -1.505 -7.093 -9.035 1.00 0.00 O ATOM 33 CB ILE A 3 -1.255 -8.540 -6.314 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.923 -9.669 -5.525 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.294 -7.781 -5.399 1.00 0.00 C ATOM 36 CD1 ILE A 3 -1.982 -10.931 -6.388 1.00 0.00 C ATOM 0 H ILE A 3 -3.205 -9.299 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.700 -6.971 -6.016 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.701 -8.959 -7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.364 -9.867 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.929 -9.373 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.470 -8.464 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.181 -6.975 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.847 -7.362 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.458 -11.734 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.559 -10.728 -7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.971 -11.231 -6.664 1.00 0.00 H new ATOM 48 N ILE A 4 -1.445 -5.448 -7.580 1.00 0.00 N ATOM 49 CA ILE A 4 -0.852 -4.519 -8.583 1.00 0.00 C ATOM 50 C ILE A 4 0.631 -4.314 -8.271 1.00 0.00 C ATOM 51 O ILE A 4 0.994 -3.853 -7.206 1.00 0.00 O ATOM 52 CB ILE A 4 -1.577 -3.173 -8.522 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.024 -3.355 -8.985 1.00 0.00 C ATOM 54 CG2 ILE A 4 -0.872 -2.171 -9.437 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.941 -2.444 -8.167 1.00 0.00 C ATOM 0 H ILE A 4 -1.604 -5.045 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.959 -4.944 -9.581 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.565 -2.799 -7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.110 -3.118 -10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.327 -4.395 -8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.389 -1.212 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.160 -2.042 -9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.884 -2.543 -10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.972 -2.574 -8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.863 -2.703 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.643 -1.405 -8.309 1.00 0.00 H new ATOM 67 N ARG A 5 1.494 -4.654 -9.190 1.00 0.00 N ATOM 68 CA ARG A 5 2.953 -4.479 -8.942 1.00 0.00 C ATOM 69 C ARG A 5 3.407 -3.128 -9.499 1.00 0.00 C ATOM 70 O ARG A 5 2.685 -2.468 -10.221 1.00 0.00 O ATOM 71 CB ARG A 5 3.727 -5.602 -9.635 1.00 0.00 C ATOM 72 CG ARG A 5 3.275 -5.713 -11.093 1.00 0.00 C ATOM 73 CD ARG A 5 2.578 -7.057 -11.313 1.00 0.00 C ATOM 74 NE ARG A 5 3.577 -8.064 -11.769 1.00 0.00 N ATOM 75 CZ ARG A 5 3.324 -8.810 -12.810 1.00 0.00 C ATOM 76 NH1 ARG A 5 2.270 -9.581 -12.819 1.00 0.00 N ATOM 77 NH2 ARG A 5 4.122 -8.784 -13.841 1.00 0.00 N ATOM 0 H ARG A 5 1.252 -5.045 -10.100 1.00 0.00 H new ATOM 0 HA ARG A 5 3.145 -4.513 -7.870 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.797 -5.401 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.558 -6.547 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.596 -4.896 -11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.134 -5.624 -11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.106 -7.390 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.787 -6.952 -12.055 1.00 0.00 H new ATOM 0 HE ARG A 5 4.459 -8.171 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.645 -9.600 -12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.072 -10.164 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.944 -8.181 -13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.924 -9.367 -14.654 1.00 0.00 H new ATOM 91 N VAL A 6 4.599 -2.711 -9.169 1.00 0.00 N ATOM 92 CA VAL A 6 5.100 -1.404 -9.679 1.00 0.00 C ATOM 93 C VAL A 6 4.887 -1.336 -11.197 1.00 0.00 C ATOM 94 O VAL A 6 5.043 -2.325 -11.884 1.00 0.00 O ATOM 95 CB VAL A 6 6.592 -1.276 -9.365 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.155 -0.026 -10.042 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.785 -1.165 -7.852 1.00 0.00 C ATOM 0 H VAL A 6 5.247 -3.220 -8.568 1.00 0.00 H new ATOM 0 HA VAL A 6 4.557 -0.590 -9.199 1.00 0.00 H new ATOM 0 HB VAL A 6 7.117 -2.156 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.218 0.062 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.018 -0.103 -11.121 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.631 0.855 -9.672 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.848 -1.074 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.259 -0.285 -7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.387 -2.057 -7.368 1.00 0.00 H new ATOM 107 N PRO A 7 4.538 -0.168 -11.673 1.00 0.00 N ATOM 108 CA PRO A 7 4.296 0.061 -13.109 1.00 0.00 C ATOM 109 C PRO A 7 5.624 0.183 -13.861 1.00 0.00 C ATOM 110 O PRO A 7 6.686 -0.003 -13.300 1.00 0.00 O ATOM 111 CB PRO A 7 3.526 1.384 -13.137 1.00 0.00 C ATOM 112 CG PRO A 7 3.859 2.111 -11.812 1.00 0.00 C ATOM 113 CD PRO A 7 4.351 1.032 -10.830 1.00 0.00 C ATOM 0 HA PRO A 7 3.751 -0.752 -13.588 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.821 1.987 -13.996 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.454 1.208 -13.225 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.625 2.871 -11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.980 2.621 -11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.282 1.328 -10.347 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.624 0.853 -10.038 1.00 0.00 H new ATOM 121 N ASP A 8 5.573 0.493 -15.127 1.00 0.00 N ATOM 122 CA ASP A 8 6.832 0.625 -15.914 1.00 0.00 C ATOM 123 C ASP A 8 7.462 1.992 -15.642 1.00 0.00 C ATOM 124 O ASP A 8 7.048 2.996 -16.185 1.00 0.00 O ATOM 125 CB ASP A 8 6.517 0.495 -17.406 1.00 0.00 C ATOM 126 CG ASP A 8 7.822 0.444 -18.201 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.742 -0.221 -17.751 1.00 0.00 O ATOM 128 OD2 ASP A 8 7.883 1.072 -19.245 1.00 0.00 O ATOM 0 H ASP A 8 4.714 0.661 -15.651 1.00 0.00 H new ATOM 0 HA ASP A 8 7.528 -0.160 -15.621 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.933 -0.407 -17.588 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.911 1.339 -17.735 1.00 0.00 H new ATOM 133 N ILE A 9 8.462 2.038 -14.804 1.00 0.00 N ATOM 134 CA ILE A 9 9.118 3.341 -14.497 1.00 0.00 C ATOM 135 C ILE A 9 10.483 3.394 -15.185 1.00 0.00 C ATOM 136 O ILE A 9 11.088 4.440 -15.310 1.00 0.00 O ATOM 137 CB ILE A 9 9.310 3.502 -12.980 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.814 2.253 -12.241 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.520 4.718 -12.496 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.051 2.421 -10.739 1.00 0.00 C ATOM 0 H ILE A 9 8.853 1.230 -14.319 1.00 0.00 H new ATOM 0 HA ILE A 9 8.483 4.149 -14.861 1.00 0.00 H new ATOM 0 HB ILE A 9 10.371 3.638 -12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.753 2.099 -12.437 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.338 1.369 -12.606 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.654 4.835 -11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.880 5.612 -13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.462 4.576 -12.716 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.699 1.533 -10.214 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.116 2.555 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.507 3.295 -10.380 1.00 0.00 H new ATOM 152 N GLY A 10 10.975 2.271 -15.635 1.00 0.00 N ATOM 153 CA GLY A 10 12.301 2.257 -16.316 1.00 0.00 C ATOM 154 C GLY A 10 13.404 2.019 -15.283 1.00 0.00 C ATOM 155 O GLY A 10 14.493 1.595 -15.611 1.00 0.00 O ATOM 0 H GLY A 10 10.516 1.363 -15.560 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.324 1.474 -17.074 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.468 3.204 -16.830 1.00 0.00 H new ATOM 159 N GLY A 11 13.130 2.291 -14.036 1.00 0.00 N ATOM 160 CA GLY A 11 14.163 2.080 -12.983 1.00 0.00 C ATOM 161 C GLY A 11 13.571 1.248 -11.845 1.00 0.00 C ATOM 162 O GLY A 11 12.753 0.376 -12.061 1.00 0.00 O ATOM 0 H GLY A 11 12.236 2.650 -13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.030 1.572 -13.406 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.511 3.040 -12.602 1.00 0.00 H new ATOM 166 N ASP A 12 13.976 1.510 -10.633 1.00 0.00 N ATOM 167 CA ASP A 12 13.435 0.734 -9.482 1.00 0.00 C ATOM 168 C ASP A 12 12.326 1.537 -8.801 1.00 0.00 C ATOM 169 O ASP A 12 12.404 2.743 -8.681 1.00 0.00 O ATOM 170 CB ASP A 12 14.557 0.461 -8.478 1.00 0.00 C ATOM 171 CG ASP A 12 14.733 -1.050 -8.306 1.00 0.00 C ATOM 172 OD1 ASP A 12 14.908 -1.724 -9.308 1.00 0.00 O ATOM 173 OD2 ASP A 12 14.688 -1.506 -7.175 1.00 0.00 O ATOM 0 H ASP A 12 14.658 2.228 -10.390 1.00 0.00 H new ATOM 0 HA ASP A 12 13.030 -0.212 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.488 0.909 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.321 0.922 -7.519 1.00 0.00 H new ATOM 178 N GLY A 13 11.292 0.878 -8.353 1.00 0.00 N ATOM 179 CA GLY A 13 10.179 1.604 -7.680 1.00 0.00 C ATOM 180 C GLY A 13 10.565 1.900 -6.230 1.00 0.00 C ATOM 181 O GLY A 13 10.534 1.032 -5.380 1.00 0.00 O ATOM 0 H GLY A 13 11.171 -0.132 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.966 2.534 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.269 1.005 -7.710 1.00 0.00 H new ATOM 185 N GLU A 14 10.930 3.119 -5.941 1.00 0.00 N ATOM 186 CA GLU A 14 11.317 3.470 -4.545 1.00 0.00 C ATOM 187 C GLU A 14 10.160 4.199 -3.861 1.00 0.00 C ATOM 188 O GLU A 14 9.730 5.248 -4.299 1.00 0.00 O ATOM 189 CB GLU A 14 12.549 4.377 -4.571 1.00 0.00 C ATOM 190 CG GLU A 14 13.706 3.650 -5.258 1.00 0.00 C ATOM 191 CD GLU A 14 15.004 3.917 -4.494 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.940 4.039 -3.283 1.00 0.00 O ATOM 193 OE2 GLU A 14 16.039 3.997 -5.135 1.00 0.00 O ATOM 0 H GLU A 14 10.977 3.887 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 14 11.548 2.559 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.321 5.302 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.831 4.653 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.506 2.579 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.802 3.990 -6.289 1.00 0.00 H new ATOM 200 N VAL A 15 9.653 3.653 -2.790 1.00 0.00 N ATOM 201 CA VAL A 15 8.524 4.316 -2.079 1.00 0.00 C ATOM 202 C VAL A 15 9.064 5.463 -1.223 1.00 0.00 C ATOM 203 O VAL A 15 10.018 5.306 -0.489 1.00 0.00 O ATOM 204 CB VAL A 15 7.819 3.296 -1.182 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.585 3.940 -0.547 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.390 2.091 -2.021 1.00 0.00 C ATOM 0 H VAL A 15 9.972 2.777 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 15 7.815 4.710 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 15 8.502 2.969 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.083 3.213 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.890 4.799 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.902 4.267 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.888 1.364 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.708 2.418 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.269 1.631 -2.473 1.00 0.00 H new ATOM 216 N ILE A 16 8.459 6.616 -1.310 1.00 0.00 N ATOM 217 CA ILE A 16 8.938 7.772 -0.501 1.00 0.00 C ATOM 218 C ILE A 16 7.928 8.073 0.607 1.00 0.00 C ATOM 219 O ILE A 16 8.291 8.370 1.728 1.00 0.00 O ATOM 220 CB ILE A 16 9.087 8.999 -1.402 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.699 8.576 -2.741 1.00 0.00 C ATOM 222 CG2 ILE A 16 10.002 10.022 -0.726 1.00 0.00 C ATOM 223 CD1 ILE A 16 11.133 8.093 -2.518 1.00 0.00 C ATOM 0 H ILE A 16 7.654 6.807 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 16 9.903 7.528 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 16 8.107 9.445 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.103 7.782 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.691 9.414 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.108 10.896 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.569 10.323 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.982 9.577 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.568 7.792 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.726 8.900 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.129 7.242 -1.837 1.00 0.00 H new ATOM 235 N GLU A 17 6.661 8.000 0.304 1.00 0.00 N ATOM 236 CA GLU A 17 5.629 8.283 1.341 1.00 0.00 C ATOM 237 C GLU A 17 4.314 7.607 0.948 1.00 0.00 C ATOM 238 O GLU A 17 4.231 6.923 -0.053 1.00 0.00 O ATOM 239 CB GLU A 17 5.413 9.794 1.447 1.00 0.00 C ATOM 240 CG GLU A 17 6.505 10.405 2.327 1.00 0.00 C ATOM 241 CD GLU A 17 6.179 11.875 2.596 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.411 12.441 1.836 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.703 12.411 3.559 1.00 0.00 O ATOM 0 H GLU A 17 6.296 7.757 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 17 5.965 7.896 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.435 10.246 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.431 10.003 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.577 9.859 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.474 10.320 1.835 1.00 0.00 H new ATOM 250 N LEU A 18 3.285 7.791 1.729 1.00 0.00 N ATOM 251 CA LEU A 18 1.977 7.159 1.398 1.00 0.00 C ATOM 252 C LEU A 18 0.850 8.168 1.629 1.00 0.00 C ATOM 253 O LEU A 18 0.914 8.990 2.522 1.00 0.00 O ATOM 254 CB LEU A 18 1.759 5.938 2.295 1.00 0.00 C ATOM 255 CG LEU A 18 0.775 4.980 1.623 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.450 4.308 0.426 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.338 3.912 2.627 1.00 0.00 C ATOM 0 H LEU A 18 3.294 8.351 2.581 1.00 0.00 H new ATOM 0 HA LEU A 18 1.978 6.848 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.708 5.433 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.373 6.251 3.265 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.097 5.538 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.747 3.625 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.761 5.068 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.323 3.751 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.364 3.228 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.211 3.356 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.145 4.390 3.479 1.00 0.00 H new ATOM 269 N LEU A 19 -0.180 8.114 0.831 1.00 0.00 N ATOM 270 CA LEU A 19 -1.309 9.071 1.005 1.00 0.00 C ATOM 271 C LEU A 19 -2.638 8.326 0.865 1.00 0.00 C ATOM 272 O LEU A 19 -3.598 8.845 0.333 1.00 0.00 O ATOM 273 CB LEU A 19 -1.220 10.164 -0.063 1.00 0.00 C ATOM 274 CG LEU A 19 -1.501 9.556 -1.439 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.748 10.206 -2.039 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.305 9.806 -2.359 1.00 0.00 C ATOM 0 H LEU A 19 -0.289 7.449 0.066 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.251 9.524 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.938 10.955 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.230 10.620 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.664 8.483 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.948 9.773 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.601 10.030 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.585 11.279 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.504 9.373 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.143 10.879 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.585 9.344 -1.932 1.00 0.00 H new ATOM 288 N VAL A 20 -2.700 7.112 1.339 1.00 0.00 N ATOM 289 CA VAL A 20 -3.968 6.335 1.233 1.00 0.00 C ATOM 290 C VAL A 20 -4.073 5.364 2.409 1.00 0.00 C ATOM 291 O VAL A 20 -3.083 4.985 3.005 1.00 0.00 O ATOM 292 CB VAL A 20 -3.975 5.548 -0.080 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.287 6.494 -1.241 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.602 4.911 -0.298 1.00 0.00 C ATOM 0 H VAL A 20 -1.929 6.625 1.795 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.816 7.020 1.252 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.735 4.769 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.292 5.933 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.265 6.950 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.527 7.274 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.605 4.350 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.842 5.691 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.378 4.237 0.529 1.00 0.00 H new ATOM 304 N LYS A 21 -5.265 4.954 2.749 1.00 0.00 N ATOM 305 CA LYS A 21 -5.431 4.006 3.886 1.00 0.00 C ATOM 306 C LYS A 21 -6.101 2.723 3.387 1.00 0.00 C ATOM 307 O LYS A 21 -6.482 2.618 2.239 1.00 0.00 O ATOM 308 CB LYS A 21 -6.305 4.651 4.965 1.00 0.00 C ATOM 309 CG LYS A 21 -5.521 4.733 6.275 1.00 0.00 C ATOM 310 CD LYS A 21 -5.072 6.175 6.515 1.00 0.00 C ATOM 311 CE LYS A 21 -4.118 6.223 7.710 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.764 6.959 8.833 1.00 0.00 N ATOM 0 H LYS A 21 -6.131 5.235 2.288 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.454 3.767 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.613 5.648 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.214 4.067 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.141 4.392 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.654 4.074 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.577 6.565 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.938 6.810 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.861 5.211 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.188 6.715 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.115 6.992 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.988 7.928 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.640 6.472 9.109 1.00 0.00 H new ATOM 326 N THR A 22 -6.245 1.747 4.240 1.00 0.00 N ATOM 327 CA THR A 22 -6.888 0.473 3.814 1.00 0.00 C ATOM 328 C THR A 22 -8.408 0.603 3.930 1.00 0.00 C ATOM 329 O THR A 22 -8.918 1.275 4.806 1.00 0.00 O ATOM 330 CB THR A 22 -6.404 -0.669 4.711 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.001 -0.557 4.901 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.727 -2.011 4.053 1.00 0.00 C ATOM 0 H THR A 22 -5.945 1.777 5.214 1.00 0.00 H new ATOM 0 HA THR A 22 -6.620 0.261 2.779 1.00 0.00 H new ATOM 0 HB THR A 22 -6.907 -0.611 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.690 -1.286 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.382 -2.823 4.693 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.804 -2.096 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.226 -2.073 3.087 1.00 0.00 H new ATOM 340 N GLY A 23 -9.137 -0.034 3.055 1.00 0.00 N ATOM 341 CA GLY A 23 -10.623 0.053 3.117 1.00 0.00 C ATOM 342 C GLY A 23 -11.087 1.384 2.521 1.00 0.00 C ATOM 343 O GLY A 23 -12.260 1.699 2.522 1.00 0.00 O ATOM 0 H GLY A 23 -8.767 -0.611 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.069 -0.777 2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.959 -0.031 4.151 1.00 0.00 H new ATOM 347 N ASP A 24 -10.176 2.169 2.013 1.00 0.00 N ATOM 348 CA ASP A 24 -10.570 3.478 1.419 1.00 0.00 C ATOM 349 C ASP A 24 -10.994 3.271 -0.036 1.00 0.00 C ATOM 350 O ASP A 24 -10.323 2.605 -0.800 1.00 0.00 O ATOM 351 CB ASP A 24 -9.380 4.439 1.472 1.00 0.00 C ATOM 352 CG ASP A 24 -9.287 5.057 2.868 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.494 4.335 3.830 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.009 6.242 2.952 1.00 0.00 O ATOM 0 H ASP A 24 -9.178 1.961 1.984 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.403 3.898 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.458 3.907 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.497 5.222 0.723 1.00 0.00 H new ATOM 359 N LEU A 25 -12.102 3.838 -0.428 1.00 0.00 N ATOM 360 CA LEU A 25 -12.568 3.673 -1.834 1.00 0.00 C ATOM 361 C LEU A 25 -11.865 4.698 -2.727 1.00 0.00 C ATOM 362 O LEU A 25 -12.145 5.879 -2.672 1.00 0.00 O ATOM 363 CB LEU A 25 -14.081 3.893 -1.899 1.00 0.00 C ATOM 364 CG LEU A 25 -14.722 2.785 -2.736 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.048 2.726 -4.108 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.545 1.443 -2.024 1.00 0.00 C ATOM 0 H LEU A 25 -12.705 4.409 0.165 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.332 2.667 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.503 3.894 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.299 4.867 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.784 2.994 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.505 1.936 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.172 3.682 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.986 2.517 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.001 0.652 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.482 1.235 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.025 1.484 -1.046 1.00 0.00 H new ATOM 378 N ILE A 26 -10.954 4.255 -3.549 1.00 0.00 N ATOM 379 CA ILE A 26 -10.233 5.200 -4.444 1.00 0.00 C ATOM 380 C ILE A 26 -10.964 5.280 -5.786 1.00 0.00 C ATOM 381 O ILE A 26 -12.049 4.757 -5.944 1.00 0.00 O ATOM 382 CB ILE A 26 -8.809 4.690 -4.662 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.305 4.022 -3.381 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.890 5.860 -5.018 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.853 3.577 -3.573 1.00 0.00 C ATOM 0 H ILE A 26 -10.678 3.277 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.200 6.191 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.807 3.967 -5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.376 4.717 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.930 3.163 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.876 5.492 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.246 6.337 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.893 6.585 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.495 3.101 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.796 2.867 -4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.233 4.445 -3.797 1.00 0.00 H new ATOM 397 N GLU A 27 -10.380 5.929 -6.755 1.00 0.00 N ATOM 398 CA GLU A 27 -11.044 6.040 -8.085 1.00 0.00 C ATOM 399 C GLU A 27 -9.980 6.059 -9.185 1.00 0.00 C ATOM 400 O GLU A 27 -8.798 5.972 -8.918 1.00 0.00 O ATOM 401 CB GLU A 27 -11.859 7.334 -8.141 1.00 0.00 C ATOM 402 CG GLU A 27 -13.046 7.232 -7.181 1.00 0.00 C ATOM 403 CD GLU A 27 -14.243 7.985 -7.766 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.023 8.997 -8.411 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.359 7.537 -7.559 1.00 0.00 O ATOM 0 H GLU A 27 -9.472 6.387 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.706 5.187 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.231 8.183 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.213 7.509 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.306 6.186 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.779 7.650 -6.210 1.00 0.00 H new ATOM 412 N VAL A 28 -10.390 6.174 -10.419 1.00 0.00 N ATOM 413 CA VAL A 28 -9.400 6.198 -11.532 1.00 0.00 C ATOM 414 C VAL A 28 -8.841 7.614 -11.687 1.00 0.00 C ATOM 415 O VAL A 28 -9.171 8.323 -12.618 1.00 0.00 O ATOM 416 CB VAL A 28 -10.084 5.775 -12.832 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.189 6.773 -13.178 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.052 5.745 -13.963 1.00 0.00 C ATOM 0 H VAL A 28 -11.366 6.252 -10.704 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.586 5.508 -11.309 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.518 4.783 -12.707 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.676 6.470 -14.105 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.924 6.796 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.757 7.766 -13.303 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.538 5.444 -14.891 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.618 6.737 -14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.264 5.033 -13.718 1.00 0.00 H new ATOM 428 N GLU A 29 -7.995 8.030 -10.783 1.00 0.00 N ATOM 429 CA GLU A 29 -7.411 9.396 -10.877 1.00 0.00 C ATOM 430 C GLU A 29 -6.815 9.789 -9.524 1.00 0.00 C ATOM 431 O GLU A 29 -5.739 10.350 -9.448 1.00 0.00 O ATOM 432 CB GLU A 29 -8.504 10.397 -11.261 1.00 0.00 C ATOM 433 CG GLU A 29 -8.238 10.925 -12.672 1.00 0.00 C ATOM 434 CD GLU A 29 -9.559 11.031 -13.436 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.596 10.897 -12.806 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.513 11.244 -14.636 1.00 0.00 O ATOM 0 H GLU A 29 -7.684 7.480 -9.982 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.630 9.404 -11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.482 9.918 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.522 11.223 -10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.756 11.901 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.554 10.259 -13.198 1.00 0.00 H new ATOM 443 N GLN A 30 -7.502 9.497 -8.453 1.00 0.00 N ATOM 444 CA GLN A 30 -6.974 9.853 -7.107 1.00 0.00 C ATOM 445 C GLN A 30 -5.536 9.346 -6.973 1.00 0.00 C ATOM 446 O GLN A 30 -5.223 8.232 -7.344 1.00 0.00 O ATOM 447 CB GLN A 30 -7.844 9.205 -6.029 1.00 0.00 C ATOM 448 CG GLN A 30 -7.557 9.861 -4.676 1.00 0.00 C ATOM 449 CD GLN A 30 -8.778 9.716 -3.767 1.00 0.00 C ATOM 450 OE1 GLN A 30 -9.830 10.254 -4.052 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.684 9.004 -2.677 1.00 0.00 N ATOM 0 H GLN A 30 -8.407 9.027 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.991 10.936 -6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.898 9.316 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.640 8.136 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.688 9.395 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.318 10.915 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.801 8.552 -2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.493 8.899 -2.065 1.00 0.00 H new ATOM 460 N GLY A 31 -4.658 10.155 -6.445 1.00 0.00 N ATOM 461 CA GLY A 31 -3.242 9.719 -6.288 1.00 0.00 C ATOM 462 C GLY A 31 -3.198 8.383 -5.544 1.00 0.00 C ATOM 463 O GLY A 31 -4.217 7.833 -5.174 1.00 0.00 O ATOM 0 H GLY A 31 -4.861 11.099 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.771 9.618 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.677 10.472 -5.738 1.00 0.00 H new ATOM 467 N LEU A 32 -2.025 7.855 -5.321 1.00 0.00 N ATOM 468 CA LEU A 32 -1.918 6.555 -4.601 1.00 0.00 C ATOM 469 C LEU A 32 -0.644 6.543 -3.753 1.00 0.00 C ATOM 470 O LEU A 32 -0.697 6.549 -2.539 1.00 0.00 O ATOM 471 CB LEU A 32 -1.866 5.412 -5.616 1.00 0.00 C ATOM 472 CG LEU A 32 -2.732 4.252 -5.124 1.00 0.00 C ATOM 473 CD1 LEU A 32 -2.194 3.744 -3.785 1.00 0.00 C ATOM 474 CD2 LEU A 32 -4.173 4.734 -4.943 1.00 0.00 C ATOM 0 H LEU A 32 -1.137 8.268 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.786 6.427 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.220 5.758 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.837 5.079 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.706 3.444 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.812 2.917 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.167 3.401 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.219 4.551 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.792 3.908 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.197 5.542 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.558 5.096 -5.896 1.00 0.00 H new ATOM 486 N VAL A 33 0.500 6.526 -4.381 1.00 0.00 N ATOM 487 CA VAL A 33 1.773 6.513 -3.607 1.00 0.00 C ATOM 488 C VAL A 33 2.734 7.553 -4.186 1.00 0.00 C ATOM 489 O VAL A 33 2.503 8.108 -5.241 1.00 0.00 O ATOM 490 CB VAL A 33 2.410 5.125 -3.697 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.511 4.103 -3.000 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.578 4.737 -5.167 1.00 0.00 C ATOM 0 H VAL A 33 0.608 6.521 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 33 1.566 6.751 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 33 3.385 5.141 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.966 3.114 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.390 4.379 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.535 4.086 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.032 3.748 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.602 4.722 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.220 5.464 -5.664 1.00 0.00 H new ATOM 502 N VAL A 34 3.814 7.820 -3.502 1.00 0.00 N ATOM 503 CA VAL A 34 4.791 8.822 -4.012 1.00 0.00 C ATOM 504 C VAL A 34 6.144 8.145 -4.238 1.00 0.00 C ATOM 505 O VAL A 34 7.047 8.257 -3.433 1.00 0.00 O ATOM 506 CB VAL A 34 4.949 9.948 -2.989 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.815 11.061 -3.582 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.571 10.510 -2.634 1.00 0.00 C ATOM 0 H VAL A 34 4.061 7.387 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 34 4.429 9.235 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 34 5.426 9.557 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.927 11.863 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.797 10.662 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.339 11.452 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.682 11.313 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.094 10.900 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.953 9.718 -2.210 1.00 0.00 H new ATOM 518 N LEU A 35 6.292 7.441 -5.327 1.00 0.00 N ATOM 519 CA LEU A 35 7.586 6.756 -5.601 1.00 0.00 C ATOM 520 C LEU A 35 8.504 7.693 -6.390 1.00 0.00 C ATOM 521 O LEU A 35 8.050 8.547 -7.124 1.00 0.00 O ATOM 522 CB LEU A 35 7.328 5.488 -6.418 1.00 0.00 C ATOM 523 CG LEU A 35 6.161 4.714 -5.804 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.494 3.856 -6.880 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.682 3.811 -4.683 1.00 0.00 C ATOM 0 H LEU A 35 5.573 7.311 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 35 8.063 6.491 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.101 5.749 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.222 4.865 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 35 5.434 5.417 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.662 3.304 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.123 4.498 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.221 3.153 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.851 3.259 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.410 3.109 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.157 4.422 -3.915 1.00 0.00 H new ATOM 537 N GLU A 36 9.792 7.539 -6.243 1.00 0.00 N ATOM 538 CA GLU A 36 10.737 8.420 -6.983 1.00 0.00 C ATOM 539 C GLU A 36 11.933 7.596 -7.464 1.00 0.00 C ATOM 540 O GLU A 36 12.410 6.717 -6.775 1.00 0.00 O ATOM 541 CB GLU A 36 11.226 9.536 -6.057 1.00 0.00 C ATOM 542 CG GLU A 36 12.218 10.427 -6.809 1.00 0.00 C ATOM 543 CD GLU A 36 13.598 10.319 -6.157 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.655 9.944 -4.997 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.573 10.612 -6.829 1.00 0.00 O ATOM 0 H GLU A 36 10.230 6.841 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 36 10.228 8.857 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.381 10.129 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.702 9.108 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.274 10.125 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.877 11.462 -6.794 1.00 0.00 H new ATOM 552 N SER A 37 12.421 7.873 -8.643 1.00 0.00 N ATOM 553 CA SER A 37 13.586 7.105 -9.165 1.00 0.00 C ATOM 554 C SER A 37 14.814 8.015 -9.222 1.00 0.00 C ATOM 555 O SER A 37 14.763 9.166 -8.836 1.00 0.00 O ATOM 556 CB SER A 37 13.268 6.591 -10.570 1.00 0.00 C ATOM 557 OG SER A 37 11.861 6.434 -10.706 1.00 0.00 O ATOM 0 H SER A 37 12.063 8.597 -9.266 1.00 0.00 H new ATOM 0 HA SER A 37 13.790 6.261 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.641 7.290 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.770 5.639 -10.744 1.00 0.00 H new ATOM 0 HG SER A 37 11.654 6.106 -11.606 1.00 0.00 H new ATOM 563 N ALA A 38 15.919 7.508 -9.698 1.00 0.00 N ATOM 564 CA ALA A 38 17.149 8.346 -9.777 1.00 0.00 C ATOM 565 C ALA A 38 16.915 9.505 -10.748 1.00 0.00 C ATOM 566 O ALA A 38 17.685 10.443 -10.807 1.00 0.00 O ATOM 567 CB ALA A 38 18.316 7.491 -10.276 1.00 0.00 C ATOM 0 H ALA A 38 16.023 6.551 -10.035 1.00 0.00 H new ATOM 0 HA ALA A 38 17.384 8.742 -8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.216 8.103 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.483 6.664 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.081 7.096 -11.264 1.00 0.00 H new ATOM 573 N LYS A 39 15.856 9.449 -11.509 1.00 0.00 N ATOM 574 CA LYS A 39 15.574 10.549 -12.475 1.00 0.00 C ATOM 575 C LYS A 39 14.811 11.668 -11.764 1.00 0.00 C ATOM 576 O LYS A 39 15.321 12.753 -11.568 1.00 0.00 O ATOM 577 CB LYS A 39 14.729 10.009 -13.630 1.00 0.00 C ATOM 578 CG LYS A 39 15.429 10.304 -14.957 1.00 0.00 C ATOM 579 CD LYS A 39 14.387 10.405 -16.073 1.00 0.00 C ATOM 580 CE LYS A 39 14.690 11.624 -16.946 1.00 0.00 C ATOM 581 NZ LYS A 39 15.543 11.211 -18.097 1.00 0.00 N ATOM 0 H LYS A 39 15.175 8.690 -11.504 1.00 0.00 H new ATOM 0 HA LYS A 39 16.514 10.941 -12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.582 8.935 -13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.741 10.469 -13.618 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.991 11.235 -14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.146 9.516 -15.185 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.399 9.499 -16.679 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.388 10.490 -15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.761 12.066 -17.308 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.199 12.388 -16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.749 12.039 -18.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.434 10.809 -17.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.041 10.496 -18.662 1.00 0.00 H new ATOM 595 N ALA A 40 13.591 11.414 -11.375 1.00 0.00 N ATOM 596 CA ALA A 40 12.796 12.463 -10.677 1.00 0.00 C ATOM 597 C ALA A 40 11.709 11.799 -9.829 1.00 0.00 C ATOM 598 O ALA A 40 11.535 10.596 -9.857 1.00 0.00 O ATOM 599 CB ALA A 40 12.145 13.383 -11.711 1.00 0.00 C ATOM 0 H ALA A 40 13.111 10.524 -11.511 1.00 0.00 H new ATOM 0 HA ALA A 40 13.453 13.048 -10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.563 14.150 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.919 13.856 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.488 12.799 -12.355 1.00 0.00 H new ATOM 605 N SER A 41 10.976 12.571 -9.076 1.00 0.00 N ATOM 606 CA SER A 41 9.902 11.982 -8.228 1.00 0.00 C ATOM 607 C SER A 41 8.567 12.055 -8.972 1.00 0.00 C ATOM 608 O SER A 41 8.241 13.053 -9.586 1.00 0.00 O ATOM 609 CB SER A 41 9.799 12.765 -6.918 1.00 0.00 C ATOM 610 OG SER A 41 11.031 13.429 -6.670 1.00 0.00 O ATOM 0 H SER A 41 11.074 13.584 -9.011 1.00 0.00 H new ATOM 0 HA SER A 41 10.141 10.941 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.987 13.490 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.564 12.090 -6.095 1.00 0.00 H new ATOM 0 HG SER A 41 10.968 13.933 -5.832 1.00 0.00 H new ATOM 616 N MET A 42 7.791 11.007 -8.923 1.00 0.00 N ATOM 617 CA MET A 42 6.479 11.018 -9.628 1.00 0.00 C ATOM 618 C MET A 42 5.471 10.176 -8.844 1.00 0.00 C ATOM 619 O MET A 42 5.705 9.017 -8.558 1.00 0.00 O ATOM 620 CB MET A 42 6.650 10.435 -11.033 1.00 0.00 C ATOM 621 CG MET A 42 6.944 11.563 -12.022 1.00 0.00 C ATOM 622 SD MET A 42 5.495 11.842 -13.070 1.00 0.00 S ATOM 623 CE MET A 42 5.992 13.457 -13.718 1.00 0.00 C ATOM 0 H MET A 42 8.009 10.144 -8.425 1.00 0.00 H new ATOM 0 HA MET A 42 6.115 12.043 -9.702 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.463 9.710 -11.040 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.746 9.903 -11.330 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.197 12.476 -11.483 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.806 11.306 -12.637 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.227 13.826 -14.402 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.110 14.159 -12.893 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.938 13.360 -14.250 1.00 0.00 H new ATOM 633 N GLU A 43 4.352 10.746 -8.493 1.00 0.00 N ATOM 634 CA GLU A 43 3.331 9.977 -7.727 1.00 0.00 C ATOM 635 C GLU A 43 2.460 9.177 -8.698 1.00 0.00 C ATOM 636 O GLU A 43 2.483 9.395 -9.892 1.00 0.00 O ATOM 637 CB GLU A 43 2.451 10.946 -6.935 1.00 0.00 C ATOM 638 CG GLU A 43 3.292 11.637 -5.859 1.00 0.00 C ATOM 639 CD GLU A 43 2.801 13.073 -5.670 1.00 0.00 C ATOM 640 OE1 GLU A 43 3.064 13.887 -6.540 1.00 0.00 O ATOM 641 OE2 GLU A 43 2.170 13.334 -4.660 1.00 0.00 O ATOM 0 H GLU A 43 4.100 11.712 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 43 3.831 9.295 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.016 11.688 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.623 10.408 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.219 11.090 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.343 11.636 -6.148 1.00 0.00 H new ATOM 648 N VAL A 44 1.691 8.250 -8.193 1.00 0.00 N ATOM 649 CA VAL A 44 0.819 7.438 -9.087 1.00 0.00 C ATOM 650 C VAL A 44 -0.565 7.288 -8.443 1.00 0.00 C ATOM 651 O VAL A 44 -0.667 7.005 -7.266 1.00 0.00 O ATOM 652 CB VAL A 44 1.446 6.054 -9.281 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.451 5.131 -9.989 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.711 6.184 -10.130 1.00 0.00 C ATOM 0 H VAL A 44 1.630 8.021 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 44 0.719 7.932 -10.054 1.00 0.00 H new ATOM 0 HB VAL A 44 1.699 5.633 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.901 4.147 -10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.451 5.037 -9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.194 5.550 -10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.159 5.200 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.455 6.607 -11.102 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.422 6.838 -9.625 1.00 0.00 H new ATOM 664 N PRO A 45 -1.593 7.482 -9.234 1.00 0.00 N ATOM 665 CA PRO A 45 -2.984 7.373 -8.762 1.00 0.00 C ATOM 666 C PRO A 45 -3.394 5.903 -8.652 1.00 0.00 C ATOM 667 O PRO A 45 -2.573 5.010 -8.730 1.00 0.00 O ATOM 668 CB PRO A 45 -3.791 8.083 -9.851 1.00 0.00 C ATOM 669 CG PRO A 45 -2.919 8.052 -11.128 1.00 0.00 C ATOM 670 CD PRO A 45 -1.467 7.827 -10.665 1.00 0.00 C ATOM 0 HA PRO A 45 -3.137 7.808 -7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.744 7.581 -10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.018 9.109 -9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.240 7.254 -11.797 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.009 8.987 -11.681 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.989 7.025 -11.228 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.860 8.721 -10.807 1.00 0.00 H new ATOM 678 N SER A 46 -4.659 5.646 -8.472 1.00 0.00 N ATOM 679 CA SER A 46 -5.124 4.235 -8.358 1.00 0.00 C ATOM 680 C SER A 46 -5.359 3.662 -9.762 1.00 0.00 C ATOM 681 O SER A 46 -6.016 4.283 -10.575 1.00 0.00 O ATOM 682 CB SER A 46 -6.432 4.194 -7.567 1.00 0.00 C ATOM 683 OG SER A 46 -7.287 3.205 -8.123 1.00 0.00 O ATOM 0 H SER A 46 -5.392 6.352 -8.399 1.00 0.00 H new ATOM 0 HA SER A 46 -4.368 3.642 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.230 3.969 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.918 5.169 -7.596 1.00 0.00 H new ATOM 0 HG SER A 46 -7.807 2.783 -7.408 1.00 0.00 H new ATOM 689 N PRO A 47 -4.818 2.495 -10.009 1.00 0.00 N ATOM 690 CA PRO A 47 -4.958 1.819 -11.311 1.00 0.00 C ATOM 691 C PRO A 47 -6.332 1.155 -11.422 1.00 0.00 C ATOM 692 O PRO A 47 -6.668 0.563 -12.429 1.00 0.00 O ATOM 693 CB PRO A 47 -3.844 0.769 -11.292 1.00 0.00 C ATOM 694 CG PRO A 47 -3.509 0.515 -9.803 1.00 0.00 C ATOM 695 CD PRO A 47 -4.020 1.741 -9.022 1.00 0.00 C ATOM 0 HA PRO A 47 -4.880 2.500 -12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.168 -0.150 -11.779 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.966 1.124 -11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.988 -0.398 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.436 0.387 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.625 1.443 -8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.195 2.340 -8.637 1.00 0.00 H new ATOM 703 N LYS A 48 -7.129 1.249 -10.394 1.00 0.00 N ATOM 704 CA LYS A 48 -8.481 0.624 -10.437 1.00 0.00 C ATOM 705 C LYS A 48 -9.375 1.264 -9.374 1.00 0.00 C ATOM 706 O LYS A 48 -8.940 1.552 -8.276 1.00 0.00 O ATOM 707 CB LYS A 48 -8.358 -0.877 -10.163 1.00 0.00 C ATOM 708 CG LYS A 48 -9.583 -1.601 -10.725 1.00 0.00 C ATOM 709 CD LYS A 48 -9.395 -3.112 -10.575 1.00 0.00 C ATOM 710 CE LYS A 48 -8.204 -3.564 -11.421 1.00 0.00 C ATOM 711 NZ LYS A 48 -8.043 -5.042 -11.304 1.00 0.00 N ATOM 0 H LYS A 48 -6.902 1.732 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.921 0.780 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.450 -1.268 -10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.277 -1.056 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.482 -1.281 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.721 -1.343 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.229 -3.366 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.298 -3.635 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.358 -3.286 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.296 -3.061 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.233 -5.350 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.877 -5.295 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.906 -5.513 -11.642 1.00 0.00 H new ATOM 725 N ALA A 49 -10.621 1.489 -9.688 1.00 0.00 N ATOM 726 CA ALA A 49 -11.540 2.108 -8.693 1.00 0.00 C ATOM 727 C ALA A 49 -12.120 1.020 -7.788 1.00 0.00 C ATOM 728 O ALA A 49 -13.032 0.309 -8.160 1.00 0.00 O ATOM 729 CB ALA A 49 -12.679 2.823 -9.426 1.00 0.00 C ATOM 0 H ALA A 49 -11.042 1.271 -10.591 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.989 2.828 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.352 3.276 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.266 3.599 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.230 2.103 -10.031 1.00 0.00 H new ATOM 735 N GLY A 50 -11.596 0.882 -6.599 1.00 0.00 N ATOM 736 CA GLY A 50 -12.119 -0.162 -5.672 1.00 0.00 C ATOM 737 C GLY A 50 -11.754 0.202 -4.232 1.00 0.00 C ATOM 738 O GLY A 50 -11.421 1.331 -3.933 1.00 0.00 O ATOM 0 H GLY A 50 -10.830 1.446 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.201 -0.244 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.700 -1.135 -5.930 1.00 0.00 H new ATOM 742 N VAL A 51 -11.814 -0.747 -3.337 1.00 0.00 N ATOM 743 CA VAL A 51 -11.470 -0.454 -1.916 1.00 0.00 C ATOM 744 C VAL A 51 -10.163 -1.160 -1.550 1.00 0.00 C ATOM 745 O VAL A 51 -10.003 -2.343 -1.773 1.00 0.00 O ATOM 746 CB VAL A 51 -12.593 -0.955 -1.007 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.575 -2.484 -0.967 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.385 -0.407 0.407 1.00 0.00 C ATOM 0 H VAL A 51 -12.086 -1.711 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.349 0.621 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.553 -0.613 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.376 -2.840 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.721 -2.876 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.615 -2.827 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.185 -0.763 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.425 -0.750 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.397 0.683 0.380 1.00 0.00 H new ATOM 758 N VAL A 52 -9.228 -0.443 -0.990 1.00 0.00 N ATOM 759 CA VAL A 52 -7.932 -1.074 -0.610 1.00 0.00 C ATOM 760 C VAL A 52 -8.198 -2.292 0.278 1.00 0.00 C ATOM 761 O VAL A 52 -9.042 -2.264 1.151 1.00 0.00 O ATOM 762 CB VAL A 52 -7.078 -0.061 0.156 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.717 -0.679 0.476 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.880 1.190 -0.704 1.00 0.00 C ATOM 0 H VAL A 52 -9.305 0.552 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.403 -1.389 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.581 0.210 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.109 0.043 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.857 -1.571 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.213 -0.950 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.272 1.913 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.377 0.918 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.850 1.631 -0.933 1.00 0.00 H new ATOM 774 N LYS A 53 -7.482 -3.362 0.062 1.00 0.00 N ATOM 775 CA LYS A 53 -7.694 -4.580 0.893 1.00 0.00 C ATOM 776 C LYS A 53 -6.444 -4.847 1.734 1.00 0.00 C ATOM 777 O LYS A 53 -6.525 -5.295 2.860 1.00 0.00 O ATOM 778 CB LYS A 53 -7.962 -5.780 -0.018 1.00 0.00 C ATOM 779 CG LYS A 53 -8.377 -6.983 0.830 1.00 0.00 C ATOM 780 CD LYS A 53 -9.901 -7.021 0.953 1.00 0.00 C ATOM 781 CE LYS A 53 -10.305 -6.753 2.403 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.786 -6.850 2.534 1.00 0.00 N ATOM 0 H LYS A 53 -6.760 -3.445 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.549 -4.426 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.748 -5.538 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.068 -6.019 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.016 -7.905 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.923 -6.918 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.348 -6.274 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.278 -7.993 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.823 -7.473 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.967 -5.763 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.060 -6.668 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.236 -6.147 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.097 -7.804 2.259 1.00 0.00 H new ATOM 796 N SER A 54 -5.286 -4.577 1.196 1.00 0.00 N ATOM 797 CA SER A 54 -4.032 -4.817 1.965 1.00 0.00 C ATOM 798 C SER A 54 -2.836 -4.300 1.163 1.00 0.00 C ATOM 799 O SER A 54 -2.844 -4.299 -0.052 1.00 0.00 O ATOM 800 CB SER A 54 -3.868 -6.316 2.217 1.00 0.00 C ATOM 801 OG SER A 54 -2.549 -6.571 2.680 1.00 0.00 O ATOM 0 H SER A 54 -5.154 -4.201 0.257 1.00 0.00 H new ATOM 0 HA SER A 54 -4.084 -4.292 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.597 -6.655 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.059 -6.874 1.300 1.00 0.00 H new ATOM 0 HG SER A 54 -2.440 -7.531 2.845 1.00 0.00 H new ATOM 807 N VAL A 55 -1.806 -3.859 1.834 1.00 0.00 N ATOM 808 CA VAL A 55 -0.610 -3.343 1.110 1.00 0.00 C ATOM 809 C VAL A 55 0.544 -4.336 1.260 1.00 0.00 C ATOM 810 O VAL A 55 0.665 -5.017 2.259 1.00 0.00 O ATOM 811 CB VAL A 55 -0.201 -1.992 1.699 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.821 -1.322 0.779 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.436 -1.097 1.825 1.00 0.00 C ATOM 0 H VAL A 55 -1.742 -3.834 2.852 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.849 -3.221 0.054 1.00 0.00 H new ATOM 0 HB VAL A 55 0.241 -2.144 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.112 -0.359 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.701 -1.959 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.379 -1.170 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.146 -0.134 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.878 -0.946 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.165 -1.573 2.480 1.00 0.00 H new ATOM 823 N SER A 56 1.394 -4.424 0.274 1.00 0.00 N ATOM 824 CA SER A 56 2.541 -5.372 0.362 1.00 0.00 C ATOM 825 C SER A 56 3.850 -4.583 0.428 1.00 0.00 C ATOM 826 O SER A 56 4.916 -5.110 0.181 1.00 0.00 O ATOM 827 CB SER A 56 2.552 -6.273 -0.873 1.00 0.00 C ATOM 828 OG SER A 56 1.341 -7.017 -0.923 1.00 0.00 O ATOM 0 H SER A 56 1.344 -3.881 -0.588 1.00 0.00 H new ATOM 0 HA SER A 56 2.439 -5.984 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.660 -5.671 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.406 -6.949 -0.837 1.00 0.00 H new ATOM 0 HG SER A 56 1.344 -7.594 -1.715 1.00 0.00 H new ATOM 834 N VAL A 57 3.779 -3.324 0.763 1.00 0.00 N ATOM 835 CA VAL A 57 5.019 -2.503 0.846 1.00 0.00 C ATOM 836 C VAL A 57 4.864 -1.454 1.948 1.00 0.00 C ATOM 837 O VAL A 57 3.767 -1.109 2.340 1.00 0.00 O ATOM 838 CB VAL A 57 5.258 -1.804 -0.494 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.555 -2.849 -1.570 1.00 0.00 C ATOM 840 CG2 VAL A 57 4.007 -1.013 -0.884 1.00 0.00 C ATOM 0 H VAL A 57 2.915 -2.828 0.983 1.00 0.00 H new ATOM 0 HA VAL A 57 5.867 -3.148 1.076 1.00 0.00 H new ATOM 0 HB VAL A 57 6.106 -1.125 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.725 -2.350 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.445 -3.414 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.707 -3.528 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.175 -0.514 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.160 -1.693 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.794 -0.268 -0.118 1.00 0.00 H new ATOM 850 N LYS A 58 5.954 -0.945 2.454 1.00 0.00 N ATOM 851 CA LYS A 58 5.867 0.081 3.532 1.00 0.00 C ATOM 852 C LYS A 58 6.539 1.373 3.062 1.00 0.00 C ATOM 853 O LYS A 58 6.966 1.486 1.930 1.00 0.00 O ATOM 854 CB LYS A 58 6.576 -0.437 4.786 1.00 0.00 C ATOM 855 CG LYS A 58 5.591 -0.455 5.958 1.00 0.00 C ATOM 856 CD LYS A 58 4.355 -1.272 5.574 1.00 0.00 C ATOM 857 CE LYS A 58 3.899 -2.101 6.776 1.00 0.00 C ATOM 858 NZ LYS A 58 4.747 -3.322 6.888 1.00 0.00 N ATOM 0 H LYS A 58 6.901 -1.195 2.168 1.00 0.00 H new ATOM 0 HA LYS A 58 4.820 0.280 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.965 -1.440 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.429 0.199 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.066 -0.886 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.301 0.563 6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.553 -0.608 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.585 -1.927 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.973 -1.509 7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.852 -2.382 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.437 -3.886 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.655 -3.889 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.741 -3.044 7.016 1.00 0.00 H new ATOM 872 N LEU A 59 6.637 2.348 3.923 1.00 0.00 N ATOM 873 CA LEU A 59 7.281 3.632 3.525 1.00 0.00 C ATOM 874 C LEU A 59 8.802 3.456 3.512 1.00 0.00 C ATOM 875 O LEU A 59 9.355 2.699 4.285 1.00 0.00 O ATOM 876 CB LEU A 59 6.903 4.725 4.527 1.00 0.00 C ATOM 877 CG LEU A 59 7.401 4.337 5.919 1.00 0.00 C ATOM 878 CD1 LEU A 59 8.065 5.547 6.581 1.00 0.00 C ATOM 879 CD2 LEU A 59 6.218 3.875 6.773 1.00 0.00 C ATOM 0 H LEU A 59 6.299 2.311 4.885 1.00 0.00 H new ATOM 0 HA LEU A 59 6.939 3.917 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.341 5.677 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.822 4.862 4.541 1.00 0.00 H new ATOM 0 HG LEU A 59 8.126 3.528 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.420 5.270 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.908 5.877 5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.341 6.357 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.572 3.598 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.493 4.685 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.745 3.013 6.303 1.00 0.00 H new ATOM 891 N GLY A 60 9.481 4.149 2.640 1.00 0.00 N ATOM 892 CA GLY A 60 10.964 4.021 2.579 1.00 0.00 C ATOM 893 C GLY A 60 11.338 2.605 2.141 1.00 0.00 C ATOM 894 O GLY A 60 12.480 2.201 2.219 1.00 0.00 O ATOM 0 H GLY A 60 9.073 4.798 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.374 4.749 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.398 4.237 3.555 1.00 0.00 H new ATOM 898 N ASP A 61 10.382 1.845 1.679 1.00 0.00 N ATOM 899 CA ASP A 61 10.683 0.455 1.236 1.00 0.00 C ATOM 900 C ASP A 61 11.174 0.476 -0.213 1.00 0.00 C ATOM 901 O ASP A 61 10.582 1.101 -1.070 1.00 0.00 O ATOM 902 CB ASP A 61 9.415 -0.397 1.333 1.00 0.00 C ATOM 903 CG ASP A 61 9.205 -0.837 2.783 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.990 0.026 3.617 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.263 -2.030 3.033 1.00 0.00 O ATOM 0 H ASP A 61 9.406 2.127 1.590 1.00 0.00 H new ATOM 0 HA ASP A 61 11.457 0.029 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.553 0.174 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.500 -1.270 0.686 1.00 0.00 H new ATOM 910 N LYS A 62 12.253 -0.203 -0.493 1.00 0.00 N ATOM 911 CA LYS A 62 12.780 -0.221 -1.887 1.00 0.00 C ATOM 912 C LYS A 62 12.388 -1.536 -2.564 1.00 0.00 C ATOM 913 O LYS A 62 12.771 -2.606 -2.132 1.00 0.00 O ATOM 914 CB LYS A 62 14.305 -0.097 -1.856 1.00 0.00 C ATOM 915 CG LYS A 62 14.705 1.084 -0.970 1.00 0.00 C ATOM 916 CD LYS A 62 15.639 0.596 0.140 1.00 0.00 C ATOM 917 CE LYS A 62 17.063 1.080 -0.141 1.00 0.00 C ATOM 918 NZ LYS A 62 17.597 1.778 1.062 1.00 0.00 N ATOM 0 H LYS A 62 12.792 -0.745 0.182 1.00 0.00 H new ATOM 0 HA LYS A 62 12.358 0.614 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.747 -1.017 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.689 0.046 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.201 1.849 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.817 1.544 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.300 0.971 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.618 -0.492 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.702 0.235 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.067 1.754 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.565 2.107 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.992 2.593 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.607 1.121 1.868 1.00 0.00 H new ATOM 932 N LEU A 63 11.627 -1.466 -3.622 1.00 0.00 N ATOM 933 CA LEU A 63 11.211 -2.714 -4.324 1.00 0.00 C ATOM 934 C LEU A 63 11.658 -2.649 -5.785 1.00 0.00 C ATOM 935 O LEU A 63 11.965 -1.595 -6.305 1.00 0.00 O ATOM 936 CB LEU A 63 9.689 -2.852 -4.261 1.00 0.00 C ATOM 937 CG LEU A 63 9.284 -3.432 -2.906 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.936 -2.293 -1.945 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.064 -4.338 -3.084 1.00 0.00 C ATOM 0 H LEU A 63 11.276 -0.600 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 63 11.673 -3.575 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.219 -1.879 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.339 -3.499 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 63 10.112 -4.011 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.647 -2.707 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.804 -1.646 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.108 -1.713 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.774 -4.752 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.237 -3.758 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.311 -5.150 -3.768 1.00 0.00 H new ATOM 951 N LYS A 64 11.695 -3.769 -6.453 1.00 0.00 N ATOM 952 CA LYS A 64 12.122 -3.771 -7.881 1.00 0.00 C ATOM 953 C LYS A 64 10.890 -3.893 -8.781 1.00 0.00 C ATOM 954 O LYS A 64 9.917 -4.532 -8.433 1.00 0.00 O ATOM 955 CB LYS A 64 13.056 -4.956 -8.133 1.00 0.00 C ATOM 956 CG LYS A 64 14.188 -4.524 -9.069 1.00 0.00 C ATOM 957 CD LYS A 64 14.828 -5.761 -9.701 1.00 0.00 C ATOM 958 CE LYS A 64 16.347 -5.587 -9.739 1.00 0.00 C ATOM 959 NZ LYS A 64 16.914 -5.875 -8.391 1.00 0.00 N ATOM 0 H LYS A 64 11.448 -4.682 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 64 12.646 -2.842 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.467 -5.316 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.500 -5.783 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.800 -3.865 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.936 -3.957 -8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.568 -6.651 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.443 -5.907 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.782 -6.258 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.600 -4.571 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.947 -5.757 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.507 -5.217 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.684 -6.852 -8.119 1.00 0.00 H new ATOM 973 N GLU A 65 10.924 -3.283 -9.935 1.00 0.00 N ATOM 974 CA GLU A 65 9.759 -3.359 -10.856 1.00 0.00 C ATOM 975 C GLU A 65 9.222 -4.792 -10.890 1.00 0.00 C ATOM 976 O GLU A 65 9.962 -5.745 -10.748 1.00 0.00 O ATOM 977 CB GLU A 65 10.194 -2.946 -12.264 1.00 0.00 C ATOM 978 CG GLU A 65 9.339 -1.769 -12.739 1.00 0.00 C ATOM 979 CD GLU A 65 9.168 -1.842 -14.257 1.00 0.00 C ATOM 980 OE1 GLU A 65 10.148 -1.642 -14.955 1.00 0.00 O ATOM 981 OE2 GLU A 65 8.059 -2.098 -14.697 1.00 0.00 O ATOM 0 H GLU A 65 11.712 -2.734 -10.279 1.00 0.00 H new ATOM 0 HA GLU A 65 8.976 -2.687 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.248 -2.667 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.088 -3.786 -12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.365 -1.793 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.811 -0.827 -12.461 1.00 0.00 H new ATOM 988 N GLY A 66 7.940 -4.951 -11.076 1.00 0.00 N ATOM 989 CA GLY A 66 7.358 -6.322 -11.119 1.00 0.00 C ATOM 990 C GLY A 66 7.044 -6.791 -9.696 1.00 0.00 C ATOM 991 O GLY A 66 6.430 -7.819 -9.494 1.00 0.00 O ATOM 0 H GLY A 66 7.271 -4.191 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.450 -6.324 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.057 -7.010 -11.594 1.00 0.00 H new ATOM 995 N ASP A 67 7.461 -6.045 -8.710 1.00 0.00 N ATOM 996 CA ASP A 67 7.185 -6.451 -7.303 1.00 0.00 C ATOM 997 C ASP A 67 5.784 -5.983 -6.902 1.00 0.00 C ATOM 998 O ASP A 67 5.360 -4.897 -7.247 1.00 0.00 O ATOM 999 CB ASP A 67 8.221 -5.812 -6.375 1.00 0.00 C ATOM 1000 CG ASP A 67 9.487 -6.671 -6.355 1.00 0.00 C ATOM 1001 OD1 ASP A 67 10.270 -6.559 -7.284 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.651 -7.427 -5.411 1.00 0.00 O ATOM 0 H ASP A 67 7.980 -5.173 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 67 7.243 -7.536 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.458 -4.804 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.815 -5.720 -5.368 1.00 0.00 H new ATOM 1007 N ALA A 68 5.062 -6.792 -6.177 1.00 0.00 N ATOM 1008 CA ALA A 68 3.690 -6.393 -5.755 1.00 0.00 C ATOM 1009 C ALA A 68 3.740 -5.009 -5.105 1.00 0.00 C ATOM 1010 O ALA A 68 4.791 -4.523 -4.735 1.00 0.00 O ATOM 1011 CB ALA A 68 3.149 -7.410 -4.749 1.00 0.00 C ATOM 0 H ALA A 68 5.363 -7.713 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 68 3.036 -6.362 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.145 -7.118 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.114 -8.396 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.802 -7.442 -3.877 1.00 0.00 H new ATOM 1017 N ILE A 69 2.612 -4.368 -4.963 1.00 0.00 N ATOM 1018 CA ILE A 69 2.598 -3.016 -4.337 1.00 0.00 C ATOM 1019 C ILE A 69 1.366 -2.883 -3.439 1.00 0.00 C ATOM 1020 O ILE A 69 1.470 -2.566 -2.270 1.00 0.00 O ATOM 1021 CB ILE A 69 2.549 -1.948 -5.432 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.904 -1.885 -6.140 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.238 -0.588 -4.807 1.00 0.00 C ATOM 1024 CD1 ILE A 69 5.004 -1.608 -5.114 1.00 0.00 C ATOM 0 H ILE A 69 1.700 -4.722 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 69 3.500 -2.882 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 69 1.771 -2.202 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.101 -2.825 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.894 -1.102 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.203 0.172 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.274 -0.632 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.015 -0.333 -4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.969 -1.563 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.809 -0.657 -4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.019 -2.407 -4.372 1.00 0.00 H new ATOM 1036 N ILE A 70 0.200 -3.120 -3.974 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.035 -3.006 -3.149 1.00 0.00 C ATOM 1038 C ILE A 70 -2.099 -3.967 -3.683 1.00 0.00 C ATOM 1039 O ILE A 70 -1.871 -4.701 -4.623 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.563 -1.572 -3.217 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.603 -1.112 -4.676 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.641 -0.649 -2.418 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.048 -0.810 -5.078 1.00 0.00 C ATOM 0 H ILE A 70 0.049 -3.388 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.804 -3.260 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.568 -1.535 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.985 -0.223 -4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.188 -1.885 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.018 0.373 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.611 -0.975 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.364 -0.686 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.076 -0.482 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.653 -1.710 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.447 -0.022 -4.439 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.262 -3.967 -3.091 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.340 -4.879 -3.564 1.00 0.00 C ATOM 1057 C GLU A 71 -5.680 -4.140 -3.542 1.00 0.00 C ATOM 1058 O GLU A 71 -6.002 -3.450 -2.596 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.415 -6.101 -2.645 1.00 0.00 C ATOM 1060 CG GLU A 71 -4.515 -7.372 -3.490 1.00 0.00 C ATOM 1061 CD GLU A 71 -5.218 -8.466 -2.686 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.794 -8.720 -1.571 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -6.170 -9.032 -3.199 1.00 0.00 O ATOM 0 H GLU A 71 -3.512 -3.374 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.121 -5.203 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.532 -6.144 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.280 -6.021 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.067 -7.169 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.520 -7.705 -3.784 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.463 -4.279 -4.576 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.779 -3.584 -4.613 1.00 0.00 C ATOM 1072 C LEU A 72 -8.903 -4.622 -4.646 1.00 0.00 C ATOM 1073 O LEU A 72 -8.762 -5.686 -5.215 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.858 -2.706 -5.863 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.285 -2.181 -6.031 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.247 -0.681 -6.324 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.961 -2.910 -7.195 1.00 0.00 C ATOM 0 H LEU A 72 -6.248 -4.844 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.886 -2.961 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.160 -1.873 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.565 -3.280 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.847 -2.357 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.264 -0.308 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.764 -0.161 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.685 -0.504 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.978 -2.537 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.398 -2.733 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.989 -3.980 -6.987 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.020 -4.320 -4.043 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.151 -5.290 -4.040 1.00 0.00 C ATOM 1091 C GLU A 73 -12.359 -4.669 -4.750 1.00 0.00 C ATOM 1092 O GLU A 73 -13.192 -4.047 -4.122 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.529 -5.630 -2.597 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.408 -6.883 -2.581 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.167 -6.956 -1.254 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.345 -5.919 -0.638 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.557 -8.049 -0.878 1.00 0.00 O ATOM 0 H GLU A 73 -10.198 -3.444 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.850 -6.199 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.630 -5.796 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.061 -4.794 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.111 -6.858 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.793 -7.774 -2.710 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.412 -4.859 -6.044 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.505 -4.331 -6.879 1.00 0.00 C ATOM 1106 C PRO A 74 -14.757 -5.202 -6.736 1.00 0.00 C ATOM 1107 O PRO A 74 -14.821 -6.303 -7.245 1.00 0.00 O ATOM 1108 CB PRO A 74 -12.941 -4.414 -8.300 1.00 0.00 C ATOM 1109 CG PRO A 74 -11.824 -5.484 -8.265 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.391 -5.620 -6.793 1.00 0.00 C ATOM 0 HA PRO A 74 -13.807 -3.321 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.720 -4.689 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.545 -3.449 -8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.187 -6.436 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.982 -5.186 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.363 -6.664 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.393 -5.213 -6.632 1.00 0.00 H new ATOM 1118 N ALA A 75 -15.754 -4.715 -6.047 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.999 -5.514 -5.873 1.00 0.00 C ATOM 1120 C ALA A 75 -18.058 -5.031 -6.867 1.00 0.00 C ATOM 1121 O ALA A 75 -17.836 -4.108 -7.625 1.00 0.00 O ATOM 1122 CB ALA A 75 -17.522 -5.339 -4.446 1.00 0.00 C ATOM 0 H ALA A 75 -15.759 -3.799 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.783 -6.567 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.433 -5.924 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.768 -5.682 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.738 -4.286 -4.264 1.00 0.00 H new ATOM 1128 N ALA A 76 -19.207 -5.646 -6.868 1.00 0.00 N ATOM 1129 CA ALA A 76 -20.279 -5.220 -7.813 1.00 0.00 C ATOM 1130 C ALA A 76 -21.632 -5.732 -7.315 1.00 0.00 C ATOM 1131 O ALA A 76 -21.737 -6.818 -6.781 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.995 -5.800 -9.201 1.00 0.00 C ATOM 0 H ALA A 76 -19.451 -6.425 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.301 -4.132 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.778 -5.489 -9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.031 -5.436 -9.557 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -19.973 -6.888 -9.143 1.00 0.00 H new ATOM 1138 N GLY A 77 -22.668 -4.957 -7.483 1.00 0.00 N ATOM 1139 CA GLY A 77 -24.014 -5.400 -7.018 1.00 0.00 C ATOM 1140 C GLY A 77 -25.077 -4.939 -8.015 1.00 0.00 C ATOM 1141 O GLY A 77 -25.014 -3.847 -8.546 1.00 0.00 O ATOM 0 H GLY A 77 -22.641 -4.037 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -24.038 -6.485 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -24.223 -4.987 -6.031 1.00 0.00 H new ATOM 1145 N ALA A 78 -26.056 -5.762 -8.276 1.00 0.00 N ATOM 1146 CA ALA A 78 -27.123 -5.370 -9.240 1.00 0.00 C ATOM 1147 C ALA A 78 -27.984 -4.264 -8.625 1.00 0.00 C ATOM 1148 O ALA A 78 -28.813 -4.511 -7.772 1.00 0.00 O ATOM 1149 CB ALA A 78 -28.000 -6.584 -9.551 1.00 0.00 C ATOM 0 H ALA A 78 -26.163 -6.689 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 78 -26.666 -5.006 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -28.781 -6.298 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -27.388 -7.373 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -28.458 -6.948 -8.631 1.00 0.00 H new ATOM 1155 N ARG A 79 -27.793 -3.046 -9.052 1.00 0.00 N ATOM 1156 CA ARG A 79 -28.601 -1.926 -8.492 1.00 0.00 C ATOM 1157 C ARG A 79 -28.388 -1.851 -6.979 1.00 0.00 C ATOM 1158 O ARG A 79 -27.286 -2.138 -6.540 1.00 0.00 O ATOM 1159 CB ARG A 79 -30.082 -2.167 -8.787 1.00 0.00 C ATOM 1160 CG ARG A 79 -30.274 -2.389 -10.289 1.00 0.00 C ATOM 1161 CD ARG A 79 -31.468 -3.319 -10.520 1.00 0.00 C ATOM 1162 NE ARG A 79 -31.013 -4.539 -11.244 1.00 0.00 N ATOM 1163 CZ ARG A 79 -30.529 -4.438 -12.452 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -30.908 -3.459 -13.227 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -29.667 -5.317 -12.886 1.00 0.00 N ATOM 0 H ARG A 79 -27.113 -2.778 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 79 -28.288 -0.988 -8.950 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -30.438 -3.035 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -30.673 -1.313 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -30.440 -1.435 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -29.372 -2.823 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -31.918 -3.595 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -32.237 -2.805 -11.098 1.00 0.00 H new ATOM 0 HE ARG A 79 -31.080 -5.453 -10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -31.582 -2.773 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -30.530 -3.380 -14.171 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -29.371 -6.083 -12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.289 -5.238 -13.830 1.00 0.00 H new TER 1179 ARG A 79