USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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+ -112:sc= 0.0958 (180deg=0) USER MOD Single : A 1 SER OG : rot -160:sc=-0.000494 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0746) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -2.62 F(o=-3.5!,f=-2.6) USER MOD Single : A 37 SER OG : rot 95:sc= 0.0678 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 47:sc= 0.909 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -138:sc= 0.857 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+ -136:sc= 1.25 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.425 -9.680 -5.985 1.00 0.00 N ATOM 2 CA SER A 1 -9.243 -8.240 -6.323 1.00 0.00 C ATOM 3 C SER A 1 -8.179 -8.103 -7.414 1.00 0.00 C ATOM 4 O SER A 1 -7.455 -9.033 -7.709 1.00 0.00 O ATOM 5 CB SER A 1 -8.795 -7.477 -5.076 1.00 0.00 C ATOM 6 OG SER A 1 -7.551 -7.999 -4.627 1.00 0.00 O ATOM 0 H1 SER A 1 -10.367 -9.993 -6.295 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.696 -10.244 -6.467 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.339 -9.809 -4.957 1.00 0.00 H new ATOM 0 HA SER A 1 -10.187 -7.829 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.697 -6.415 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.545 -7.568 -4.291 1.00 0.00 H new ATOM 0 HG SER A 1 -7.414 -7.755 -3.688 1.00 0.00 H new ATOM 14 N GLU A 2 -8.077 -6.949 -8.014 1.00 0.00 N ATOM 15 CA GLU A 2 -7.061 -6.753 -9.084 1.00 0.00 C ATOM 16 C GLU A 2 -5.732 -6.336 -8.449 1.00 0.00 C ATOM 17 O GLU A 2 -5.597 -5.250 -7.923 1.00 0.00 O ATOM 18 CB GLU A 2 -7.543 -5.659 -10.041 1.00 0.00 C ATOM 19 CG GLU A 2 -6.383 -5.199 -10.925 1.00 0.00 C ATOM 20 CD GLU A 2 -5.974 -6.334 -11.865 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.824 -6.801 -12.604 1.00 0.00 O ATOM 22 OE2 GLU A 2 -4.816 -6.717 -11.831 1.00 0.00 O ATOM 0 H GLU A 2 -8.654 -6.133 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.921 -7.682 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.357 -6.037 -10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.938 -4.815 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.678 -4.323 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.536 -4.903 -10.306 1.00 0.00 H new ATOM 29 N ILE A 3 -4.749 -7.193 -8.494 1.00 0.00 N ATOM 30 CA ILE A 3 -3.431 -6.846 -7.893 1.00 0.00 C ATOM 31 C ILE A 3 -2.649 -5.954 -8.860 1.00 0.00 C ATOM 32 O ILE A 3 -2.667 -6.155 -10.058 1.00 0.00 O ATOM 33 CB ILE A 3 -2.638 -8.126 -7.627 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.309 -7.772 -6.958 1.00 0.00 C ATOM 35 CG2 ILE A 3 -2.366 -8.843 -8.951 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.995 -8.800 -5.867 1.00 0.00 C ATOM 0 H ILE A 3 -4.802 -8.118 -8.921 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.589 -6.315 -6.954 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.213 -8.780 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.510 -7.757 -7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.362 -6.773 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.801 -9.755 -8.761 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.312 -9.095 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.791 -8.190 -9.607 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.048 -8.547 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.790 -8.793 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.924 -9.793 -6.312 1.00 0.00 H new ATOM 48 N ILE A 4 -1.965 -4.967 -8.350 1.00 0.00 N ATOM 49 CA ILE A 4 -1.184 -4.063 -9.241 1.00 0.00 C ATOM 50 C ILE A 4 0.285 -4.069 -8.816 1.00 0.00 C ATOM 51 O ILE A 4 0.618 -3.768 -7.686 1.00 0.00 O ATOM 52 CB ILE A 4 -1.740 -2.642 -9.135 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.244 -2.662 -9.421 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.042 -1.742 -10.156 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.497 -3.318 -10.779 1.00 0.00 C ATOM 0 H ILE A 4 -1.913 -4.747 -7.355 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.264 -4.410 -10.271 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.563 -2.257 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.767 -3.211 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.639 -1.646 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.439 -0.730 -10.080 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.029 -1.728 -9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.219 -2.126 -11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.568 -3.332 -10.982 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.987 -2.751 -11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.117 -4.339 -10.766 1.00 0.00 H new ATOM 67 N ARG A 5 1.169 -4.411 -9.713 1.00 0.00 N ATOM 68 CA ARG A 5 2.617 -4.437 -9.362 1.00 0.00 C ATOM 69 C ARG A 5 3.249 -3.084 -9.695 1.00 0.00 C ATOM 70 O ARG A 5 2.577 -2.159 -10.106 1.00 0.00 O ATOM 71 CB ARG A 5 3.317 -5.536 -10.164 1.00 0.00 C ATOM 72 CG ARG A 5 2.839 -5.493 -11.617 1.00 0.00 C ATOM 73 CD ARG A 5 4.043 -5.611 -12.553 1.00 0.00 C ATOM 74 NE ARG A 5 3.607 -6.200 -13.851 1.00 0.00 N ATOM 75 CZ ARG A 5 2.798 -5.535 -14.629 1.00 0.00 C ATOM 76 NH1 ARG A 5 3.226 -4.477 -15.265 1.00 0.00 N ATOM 77 NH2 ARG A 5 1.562 -5.926 -14.774 1.00 0.00 N ATOM 0 H ARG A 5 0.951 -4.674 -10.674 1.00 0.00 H new ATOM 0 HA ARG A 5 2.727 -4.637 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.398 -5.399 -10.122 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.102 -6.512 -9.728 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.138 -6.306 -11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.306 -4.562 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.487 -4.629 -12.718 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.811 -6.236 -12.098 1.00 0.00 H new ATOM 0 HE ARG A 5 3.941 -7.122 -14.131 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.193 -4.171 -15.153 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.594 -3.957 -15.873 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.227 -6.752 -14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.930 -5.405 -15.383 1.00 0.00 H new ATOM 91 N VAL A 6 4.536 -2.961 -9.520 1.00 0.00 N ATOM 92 CA VAL A 6 5.209 -1.667 -9.827 1.00 0.00 C ATOM 93 C VAL A 6 5.323 -1.502 -11.346 1.00 0.00 C ATOM 94 O VAL A 6 5.606 -2.453 -12.048 1.00 0.00 O ATOM 95 CB VAL A 6 6.606 -1.662 -9.204 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.390 -0.450 -9.711 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.484 -1.586 -7.680 1.00 0.00 C ATOM 0 H VAL A 6 5.150 -3.700 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 6 4.626 -0.843 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 6 7.130 -2.576 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.385 -0.448 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.478 -0.502 -10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.866 0.465 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.479 -1.582 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.959 -0.672 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.927 -2.449 -7.316 1.00 0.00 H new ATOM 107 N PRO A 7 5.101 -0.298 -11.811 1.00 0.00 N ATOM 108 CA PRO A 7 5.173 0.023 -13.248 1.00 0.00 C ATOM 109 C PRO A 7 6.632 0.169 -13.691 1.00 0.00 C ATOM 110 O PRO A 7 7.549 -0.072 -12.932 1.00 0.00 O ATOM 111 CB PRO A 7 4.434 1.359 -13.354 1.00 0.00 C ATOM 112 CG PRO A 7 4.481 1.998 -11.946 1.00 0.00 C ATOM 113 CD PRO A 7 4.758 0.854 -10.953 1.00 0.00 C ATOM 0 HA PRO A 7 4.740 -0.750 -13.883 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.908 2.008 -14.091 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.404 1.208 -13.678 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.262 2.757 -11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.538 2.493 -11.714 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.575 1.104 -10.276 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.885 0.644 -10.335 1.00 0.00 H new ATOM 121 N ASP A 8 6.852 0.564 -14.915 1.00 0.00 N ATOM 122 CA ASP A 8 8.249 0.728 -15.406 1.00 0.00 C ATOM 123 C ASP A 8 8.762 2.118 -15.025 1.00 0.00 C ATOM 124 O ASP A 8 8.335 3.117 -15.568 1.00 0.00 O ATOM 125 CB ASP A 8 8.277 0.573 -16.929 1.00 0.00 C ATOM 126 CG ASP A 8 9.722 0.647 -17.423 1.00 0.00 C ATOM 127 OD1 ASP A 8 10.239 1.748 -17.517 1.00 0.00 O ATOM 128 OD2 ASP A 8 10.286 -0.398 -17.702 1.00 0.00 O ATOM 0 H ASP A 8 6.124 0.780 -15.596 1.00 0.00 H new ATOM 0 HA ASP A 8 8.885 -0.032 -14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.832 -0.379 -17.216 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.681 1.357 -17.396 1.00 0.00 H new ATOM 133 N ILE A 9 9.671 2.190 -14.093 1.00 0.00 N ATOM 134 CA ILE A 9 10.207 3.518 -13.674 1.00 0.00 C ATOM 135 C ILE A 9 11.610 3.706 -14.255 1.00 0.00 C ATOM 136 O ILE A 9 12.194 4.767 -14.158 1.00 0.00 O ATOM 137 CB ILE A 9 10.275 3.608 -12.142 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.868 2.273 -11.506 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.325 4.704 -11.658 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.964 2.381 -9.984 1.00 0.00 C ATOM 0 H ILE A 9 10.067 1.388 -13.603 1.00 0.00 H new ATOM 0 HA ILE A 9 9.543 4.299 -14.045 1.00 0.00 H new ATOM 0 HB ILE A 9 11.299 3.841 -11.849 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.851 2.014 -11.799 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.517 1.474 -11.866 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.370 4.771 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.620 5.659 -12.093 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.307 4.464 -11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.675 1.432 -9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.989 2.620 -9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.297 3.168 -9.632 1.00 0.00 H new ATOM 152 N GLY A 10 12.156 2.686 -14.860 1.00 0.00 N ATOM 153 CA GLY A 10 13.521 2.813 -15.445 1.00 0.00 C ATOM 154 C GLY A 10 14.548 2.202 -14.489 1.00 0.00 C ATOM 155 O GLY A 10 15.719 2.519 -14.538 1.00 0.00 O ATOM 0 H GLY A 10 11.717 1.772 -14.974 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.562 2.308 -16.410 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.755 3.863 -15.624 1.00 0.00 H new ATOM 159 N GLY A 11 14.117 1.328 -13.621 1.00 0.00 N ATOM 160 CA GLY A 11 15.070 0.698 -12.664 1.00 0.00 C ATOM 161 C GLY A 11 14.335 0.347 -11.369 1.00 0.00 C ATOM 162 O GLY A 11 13.259 -0.215 -11.387 1.00 0.00 O ATOM 0 H GLY A 11 13.148 1.023 -13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.503 -0.200 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.894 1.379 -12.454 1.00 0.00 H new ATOM 166 N ASP A 12 14.910 0.673 -10.243 1.00 0.00 N ATOM 167 CA ASP A 12 14.244 0.358 -8.948 1.00 0.00 C ATOM 168 C ASP A 12 13.267 1.480 -8.591 1.00 0.00 C ATOM 169 O ASP A 12 13.239 2.517 -9.223 1.00 0.00 O ATOM 170 CB ASP A 12 15.299 0.231 -7.849 1.00 0.00 C ATOM 171 CG ASP A 12 16.438 -0.667 -8.334 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.243 -1.871 -8.371 1.00 0.00 O ATOM 173 OD2 ASP A 12 17.487 -0.136 -8.661 1.00 0.00 O ATOM 0 H ASP A 12 15.812 1.144 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 12 13.700 -0.582 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.685 1.216 -7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.851 -0.187 -6.947 1.00 0.00 H new ATOM 178 N GLY A 13 12.464 1.281 -7.581 1.00 0.00 N ATOM 179 CA GLY A 13 11.490 2.337 -7.185 1.00 0.00 C ATOM 180 C GLY A 13 11.399 2.401 -5.660 1.00 0.00 C ATOM 181 O GLY A 13 11.552 1.408 -4.977 1.00 0.00 O ATOM 0 H GLY A 13 12.441 0.434 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.803 3.303 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.510 2.120 -7.610 1.00 0.00 H new ATOM 185 N GLU A 14 11.151 3.562 -5.119 1.00 0.00 N ATOM 186 CA GLU A 14 11.051 3.688 -3.638 1.00 0.00 C ATOM 187 C GLU A 14 9.842 4.555 -3.280 1.00 0.00 C ATOM 188 O GLU A 14 9.659 5.633 -3.811 1.00 0.00 O ATOM 189 CB GLU A 14 12.325 4.339 -3.095 1.00 0.00 C ATOM 190 CG GLU A 14 12.949 3.431 -2.033 1.00 0.00 C ATOM 191 CD GLU A 14 14.323 3.978 -1.640 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.822 4.838 -2.346 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.852 3.527 -0.637 1.00 0.00 O ATOM 0 H GLU A 14 11.013 4.429 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 14 10.932 2.699 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.034 4.508 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.093 5.314 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.302 3.379 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.046 2.416 -2.418 1.00 0.00 H new ATOM 200 N VAL A 15 9.014 4.095 -2.383 1.00 0.00 N ATOM 201 CA VAL A 15 7.818 4.893 -1.992 1.00 0.00 C ATOM 202 C VAL A 15 8.263 6.123 -1.197 1.00 0.00 C ATOM 203 O VAL A 15 9.240 6.087 -0.476 1.00 0.00 O ATOM 204 CB VAL A 15 6.892 4.035 -1.128 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.603 4.805 -0.840 1.00 0.00 C ATOM 206 CG2 VAL A 15 6.557 2.740 -1.873 1.00 0.00 C ATOM 0 H VAL A 15 9.114 3.200 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 15 7.286 5.212 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 15 7.389 3.797 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.944 4.193 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.841 5.728 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.104 5.044 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.897 2.127 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.059 2.979 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.476 2.190 -2.078 1.00 0.00 H new ATOM 216 N ILE A 16 7.554 7.211 -1.325 1.00 0.00 N ATOM 217 CA ILE A 16 7.938 8.440 -0.577 1.00 0.00 C ATOM 218 C ILE A 16 6.802 8.842 0.365 1.00 0.00 C ATOM 219 O ILE A 16 6.997 9.011 1.552 1.00 0.00 O ATOM 220 CB ILE A 16 8.205 9.576 -1.566 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.311 9.155 -2.538 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.648 10.826 -0.804 1.00 0.00 C ATOM 223 CD1 ILE A 16 9.652 10.325 -3.463 1.00 0.00 C ATOM 0 H ILE A 16 6.727 7.301 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 16 8.839 8.244 0.004 1.00 0.00 H new ATOM 0 HB ILE A 16 7.293 9.794 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.197 8.845 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.986 8.296 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.838 11.634 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.863 11.127 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.560 10.609 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 16 10.439 10.025 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.765 10.614 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.995 11.171 -2.868 1.00 0.00 H new ATOM 235 N GLU A 17 5.614 8.995 -0.154 1.00 0.00 N ATOM 236 CA GLU A 17 4.467 9.385 0.713 1.00 0.00 C ATOM 237 C GLU A 17 3.257 8.507 0.385 1.00 0.00 C ATOM 238 O GLU A 17 2.925 8.296 -0.765 1.00 0.00 O ATOM 239 CB GLU A 17 4.114 10.853 0.463 1.00 0.00 C ATOM 240 CG GLU A 17 3.754 11.525 1.790 1.00 0.00 C ATOM 241 CD GLU A 17 4.401 12.909 1.854 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.564 12.982 2.216 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.723 13.873 1.538 1.00 0.00 O ATOM 0 H GLU A 17 5.389 8.867 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 17 4.741 9.250 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.956 11.367 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.277 10.924 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.672 11.613 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.097 10.913 2.624 1.00 0.00 H new ATOM 250 N LEU A 18 2.597 7.993 1.386 1.00 0.00 N ATOM 251 CA LEU A 18 1.410 7.130 1.131 1.00 0.00 C ATOM 252 C LEU A 18 0.155 7.812 1.681 1.00 0.00 C ATOM 253 O LEU A 18 -0.095 7.807 2.869 1.00 0.00 O ATOM 254 CB LEU A 18 1.603 5.779 1.823 1.00 0.00 C ATOM 255 CG LEU A 18 0.901 4.686 1.016 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.941 3.881 0.237 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.146 3.757 1.967 1.00 0.00 C ATOM 0 H LEU A 18 2.829 8.133 2.369 1.00 0.00 H new ATOM 0 HA LEU A 18 1.297 6.975 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.666 5.553 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.198 5.816 2.834 1.00 0.00 H new ATOM 0 HG LEU A 18 0.198 5.143 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.441 3.102 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.481 4.543 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.644 3.424 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.355 2.977 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.849 3.300 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.595 4.330 2.524 1.00 0.00 H new ATOM 269 N LEU A 19 -0.636 8.399 0.825 1.00 0.00 N ATOM 270 CA LEU A 19 -1.873 9.080 1.300 1.00 0.00 C ATOM 271 C LEU A 19 -3.054 8.111 1.216 1.00 0.00 C ATOM 272 O LEU A 19 -4.143 8.478 0.821 1.00 0.00 O ATOM 273 CB LEU A 19 -2.152 10.301 0.422 1.00 0.00 C ATOM 274 CG LEU A 19 -1.937 9.932 -1.048 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.953 10.676 -1.916 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.520 10.329 -1.469 1.00 0.00 C ATOM 0 H LEU A 19 -0.479 8.436 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.738 9.399 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.174 10.647 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.492 11.122 0.702 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.069 8.858 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.799 10.413 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.963 10.396 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.822 11.751 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.365 10.067 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.390 11.404 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.205 9.799 -0.851 1.00 0.00 H new ATOM 288 N VAL A 20 -2.848 6.877 1.584 1.00 0.00 N ATOM 289 CA VAL A 20 -3.959 5.886 1.525 1.00 0.00 C ATOM 290 C VAL A 20 -3.849 4.923 2.709 1.00 0.00 C ATOM 291 O VAL A 20 -2.787 4.728 3.265 1.00 0.00 O ATOM 292 CB VAL A 20 -3.871 5.097 0.217 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.160 6.028 -0.962 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.463 4.513 0.070 1.00 0.00 C ATOM 0 H VAL A 20 -1.958 6.512 1.923 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.914 6.410 1.570 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.603 4.289 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.097 5.466 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.161 6.447 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.428 6.836 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.398 3.950 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.733 5.322 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.255 3.850 0.910 1.00 0.00 H new ATOM 304 N LYS A 21 -4.939 4.319 3.098 1.00 0.00 N ATOM 305 CA LYS A 21 -4.895 3.370 4.246 1.00 0.00 C ATOM 306 C LYS A 21 -5.643 2.088 3.877 1.00 0.00 C ATOM 307 O LYS A 21 -6.114 1.930 2.768 1.00 0.00 O ATOM 308 CB LYS A 21 -5.558 4.013 5.467 1.00 0.00 C ATOM 309 CG LYS A 21 -4.520 4.193 6.577 1.00 0.00 C ATOM 310 CD LYS A 21 -5.212 4.127 7.939 1.00 0.00 C ATOM 311 CE LYS A 21 -5.148 5.498 8.613 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.957 6.475 7.830 1.00 0.00 N ATOM 0 H LYS A 21 -5.857 4.442 2.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.857 3.132 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.986 4.978 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.378 3.388 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.758 3.417 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.011 5.150 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.250 3.819 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.730 3.378 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.526 5.432 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.114 5.835 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.054 7.358 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.482 6.674 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.900 6.076 7.645 1.00 0.00 H new ATOM 326 N THR A 22 -5.756 1.170 4.797 1.00 0.00 N ATOM 327 CA THR A 22 -6.473 -0.102 4.497 1.00 0.00 C ATOM 328 C THR A 22 -7.976 0.101 4.694 1.00 0.00 C ATOM 329 O THR A 22 -8.413 0.663 5.678 1.00 0.00 O ATOM 330 CB THR A 22 -5.978 -1.201 5.440 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.603 -1.455 5.190 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.785 -2.479 5.206 1.00 0.00 C ATOM 0 H THR A 22 -5.383 1.245 5.743 1.00 0.00 H new ATOM 0 HA THR A 22 -6.279 -0.394 3.465 1.00 0.00 H new ATOM 0 HB THR A 22 -6.106 -0.877 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.285 -2.157 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.431 -3.261 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.840 -2.284 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.660 -2.804 4.173 1.00 0.00 H new ATOM 340 N GLY A 23 -8.772 -0.354 3.765 1.00 0.00 N ATOM 341 CA GLY A 23 -10.247 -0.188 3.900 1.00 0.00 C ATOM 342 C GLY A 23 -10.654 1.205 3.413 1.00 0.00 C ATOM 343 O GLY A 23 -11.798 1.600 3.522 1.00 0.00 O ATOM 0 H GLY A 23 -8.465 -0.833 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.764 -0.952 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.544 -0.322 4.940 1.00 0.00 H new ATOM 347 N ASP A 24 -9.728 1.954 2.879 1.00 0.00 N ATOM 348 CA ASP A 24 -10.066 3.319 2.388 1.00 0.00 C ATOM 349 C ASP A 24 -10.611 3.229 0.961 1.00 0.00 C ATOM 350 O ASP A 24 -10.075 2.529 0.125 1.00 0.00 O ATOM 351 CB ASP A 24 -8.809 4.192 2.400 1.00 0.00 C ATOM 352 CG ASP A 24 -8.405 4.486 3.845 1.00 0.00 C ATOM 353 OD1 ASP A 24 -8.130 3.541 4.567 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.376 5.651 4.206 1.00 0.00 O ATOM 0 H ASP A 24 -8.753 1.679 2.762 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.822 3.761 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.996 3.685 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.996 5.124 1.867 1.00 0.00 H new ATOM 359 N LEU A 25 -11.672 3.932 0.676 1.00 0.00 N ATOM 360 CA LEU A 25 -12.248 3.886 -0.697 1.00 0.00 C ATOM 361 C LEU A 25 -11.599 4.971 -1.559 1.00 0.00 C ATOM 362 O LEU A 25 -11.745 6.150 -1.303 1.00 0.00 O ATOM 363 CB LEU A 25 -13.758 4.128 -0.624 1.00 0.00 C ATOM 364 CG LEU A 25 -14.491 3.005 -1.357 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.787 2.671 -0.616 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.822 3.458 -2.781 1.00 0.00 C ATOM 0 H LEU A 25 -12.165 4.536 1.334 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.057 2.908 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.081 4.169 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.005 5.091 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.855 2.120 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.309 1.870 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -15.553 2.349 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.423 3.555 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.345 2.658 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.458 4.343 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.900 3.696 -3.311 1.00 0.00 H new ATOM 378 N ILE A 26 -10.883 4.582 -2.577 1.00 0.00 N ATOM 379 CA ILE A 26 -10.225 5.588 -3.453 1.00 0.00 C ATOM 380 C ILE A 26 -11.173 5.957 -4.597 1.00 0.00 C ATOM 381 O ILE A 26 -12.325 5.571 -4.609 1.00 0.00 O ATOM 382 CB ILE A 26 -8.939 4.988 -4.022 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.297 4.074 -2.975 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.961 6.108 -4.384 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.954 3.562 -3.499 1.00 0.00 C ATOM 0 H ILE A 26 -10.726 3.609 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.986 6.483 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.176 4.412 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.152 4.618 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.957 3.235 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.046 5.675 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.415 6.761 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.724 6.687 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.497 2.911 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.113 3.002 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.294 4.407 -3.696 1.00 0.00 H new ATOM 397 N GLU A 27 -10.699 6.698 -5.560 1.00 0.00 N ATOM 398 CA GLU A 27 -11.575 7.089 -6.700 1.00 0.00 C ATOM 399 C GLU A 27 -10.813 6.907 -8.014 1.00 0.00 C ATOM 400 O GLU A 27 -9.656 6.537 -8.026 1.00 0.00 O ATOM 401 CB GLU A 27 -11.987 8.555 -6.548 1.00 0.00 C ATOM 402 CG GLU A 27 -13.443 8.630 -6.086 1.00 0.00 C ATOM 403 CD GLU A 27 -13.728 10.023 -5.520 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.993 10.446 -4.643 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.676 10.643 -5.974 1.00 0.00 O ATOM 0 H GLU A 27 -9.743 7.050 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.466 6.460 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.339 9.053 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.868 9.078 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.112 8.421 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.634 7.871 -5.327 1.00 0.00 H new ATOM 412 N VAL A 28 -11.454 7.162 -9.123 1.00 0.00 N ATOM 413 CA VAL A 28 -10.767 7.003 -10.436 1.00 0.00 C ATOM 414 C VAL A 28 -9.998 8.283 -10.771 1.00 0.00 C ATOM 415 O VAL A 28 -10.243 8.919 -11.776 1.00 0.00 O ATOM 416 CB VAL A 28 -11.808 6.735 -11.525 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.736 7.943 -11.654 1.00 0.00 C ATOM 418 CG2 VAL A 28 -11.098 6.495 -12.860 1.00 0.00 C ATOM 0 H VAL A 28 -12.424 7.474 -9.176 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.071 6.166 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.393 5.855 -11.259 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.477 7.751 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.242 8.116 -10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.152 8.824 -11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.838 6.304 -13.637 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.513 7.376 -13.125 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.436 5.634 -12.770 1.00 0.00 H new ATOM 428 N GLU A 29 -9.066 8.664 -9.938 1.00 0.00 N ATOM 429 CA GLU A 29 -8.279 9.898 -10.206 1.00 0.00 C ATOM 430 C GLU A 29 -7.493 10.278 -8.948 1.00 0.00 C ATOM 431 O GLU A 29 -6.407 10.820 -9.023 1.00 0.00 O ATOM 432 CB GLU A 29 -9.224 11.041 -10.589 1.00 0.00 C ATOM 433 CG GLU A 29 -8.478 12.376 -10.514 1.00 0.00 C ATOM 434 CD GLU A 29 -8.843 13.234 -11.727 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.025 13.371 -11.996 1.00 0.00 O ATOM 436 OE2 GLU A 29 -7.935 13.739 -12.366 1.00 0.00 O ATOM 0 H GLU A 29 -8.817 8.170 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.587 9.717 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.609 10.885 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.083 11.055 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.738 12.899 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.402 12.203 -10.488 1.00 0.00 H new ATOM 443 N GLN A 30 -8.032 9.999 -7.794 1.00 0.00 N ATOM 444 CA GLN A 30 -7.315 10.345 -6.534 1.00 0.00 C ATOM 445 C GLN A 30 -5.895 9.776 -6.584 1.00 0.00 C ATOM 446 O GLN A 30 -5.659 8.719 -7.134 1.00 0.00 O ATOM 447 CB GLN A 30 -8.063 9.747 -5.339 1.00 0.00 C ATOM 448 CG GLN A 30 -8.003 10.719 -4.160 1.00 0.00 C ATOM 449 CD GLN A 30 -6.602 10.691 -3.546 1.00 0.00 C ATOM 450 OE1 GLN A 30 -6.130 9.569 -3.076 1.00 0.00 O flip ATOM 451 NE2 GLN A 30 -5.929 11.702 -3.494 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.938 9.547 -7.668 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.269 11.429 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.101 9.549 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.618 8.792 -5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.245 11.728 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.746 10.445 -3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.297 12.579 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.996 11.673 -3.083 1.00 0.00 H new ATOM 460 N GLY A 31 -4.947 10.469 -6.013 1.00 0.00 N ATOM 461 CA GLY A 31 -3.545 9.967 -6.030 1.00 0.00 C ATOM 462 C GLY A 31 -3.434 8.725 -5.143 1.00 0.00 C ATOM 463 O GLY A 31 -4.353 8.376 -4.429 1.00 0.00 O ATOM 0 H GLY A 31 -5.084 11.360 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.247 9.726 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.866 10.742 -5.674 1.00 0.00 H new ATOM 467 N LEU A 32 -2.316 8.052 -5.185 1.00 0.00 N ATOM 468 CA LEU A 32 -2.147 6.833 -4.346 1.00 0.00 C ATOM 469 C LEU A 32 -0.828 6.920 -3.577 1.00 0.00 C ATOM 470 O LEU A 32 -0.798 6.832 -2.366 1.00 0.00 O ATOM 471 CB LEU A 32 -2.134 5.593 -5.245 1.00 0.00 C ATOM 472 CG LEU A 32 -2.777 4.419 -4.506 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.270 4.363 -4.838 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.109 3.114 -4.946 1.00 0.00 C ATOM 0 H LEU A 32 -1.512 8.294 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.974 6.761 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.676 5.795 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.110 5.344 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.648 4.551 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.729 3.526 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.747 5.293 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.399 4.230 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.566 2.276 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.239 2.983 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.045 3.153 -4.711 1.00 0.00 H new ATOM 486 N VAL A 33 0.264 7.092 -4.270 1.00 0.00 N ATOM 487 CA VAL A 33 1.579 7.185 -3.575 1.00 0.00 C ATOM 488 C VAL A 33 2.535 8.045 -4.404 1.00 0.00 C ATOM 489 O VAL A 33 2.169 8.587 -5.427 1.00 0.00 O ATOM 490 CB VAL A 33 2.168 5.782 -3.409 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.244 4.940 -2.529 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.303 5.121 -4.782 1.00 0.00 C ATOM 0 H VAL A 33 0.303 7.172 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 33 1.440 7.640 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 33 3.149 5.854 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.664 3.941 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.146 5.410 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.262 4.868 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.722 4.122 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.321 5.050 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.962 5.720 -5.411 1.00 0.00 H new ATOM 502 N VAL A 34 3.760 8.172 -3.970 1.00 0.00 N ATOM 503 CA VAL A 34 4.738 8.997 -4.732 1.00 0.00 C ATOM 504 C VAL A 34 6.095 8.290 -4.751 1.00 0.00 C ATOM 505 O VAL A 34 6.865 8.382 -3.816 1.00 0.00 O ATOM 506 CB VAL A 34 4.883 10.364 -4.061 1.00 0.00 C ATOM 507 CG1 VAL A 34 6.090 11.099 -4.650 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.617 11.189 -4.308 1.00 0.00 C ATOM 0 H VAL A 34 4.125 7.740 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 34 4.384 9.130 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 34 5.028 10.228 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.192 12.073 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.993 10.513 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.946 11.235 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.719 12.163 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.474 11.324 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.756 10.668 -3.890 1.00 0.00 H new ATOM 518 N LEU A 35 6.392 7.584 -5.807 1.00 0.00 N ATOM 519 CA LEU A 35 7.698 6.872 -5.883 1.00 0.00 C ATOM 520 C LEU A 35 8.744 7.790 -6.520 1.00 0.00 C ATOM 521 O LEU A 35 8.417 8.735 -7.210 1.00 0.00 O ATOM 522 CB LEU A 35 7.542 5.609 -6.734 1.00 0.00 C ATOM 523 CG LEU A 35 6.337 4.807 -6.243 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.665 4.116 -7.430 1.00 0.00 C ATOM 525 CD2 LEU A 35 6.804 3.752 -5.237 1.00 0.00 C ATOM 0 H LEU A 35 5.787 7.470 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 35 8.020 6.596 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.410 5.878 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.445 5.002 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 35 5.625 5.478 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.806 3.544 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.333 4.866 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.376 3.444 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.946 3.179 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.516 3.081 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.283 4.244 -4.390 1.00 0.00 H new ATOM 537 N GLU A 36 10.000 7.520 -6.293 1.00 0.00 N ATOM 538 CA GLU A 36 11.065 8.378 -6.884 1.00 0.00 C ATOM 539 C GLU A 36 12.007 7.513 -7.724 1.00 0.00 C ATOM 540 O GLU A 36 12.164 6.333 -7.482 1.00 0.00 O ATOM 541 CB GLU A 36 11.857 9.053 -5.763 1.00 0.00 C ATOM 542 CG GLU A 36 12.293 10.449 -6.214 1.00 0.00 C ATOM 543 CD GLU A 36 13.605 10.823 -5.522 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.590 10.141 -5.753 1.00 0.00 O ATOM 545 OE2 GLU A 36 13.603 11.786 -4.773 1.00 0.00 O ATOM 0 H GLU A 36 10.335 6.742 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 36 10.609 9.140 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.245 9.124 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.730 8.453 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.422 10.469 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.521 11.179 -5.971 1.00 0.00 H new ATOM 552 N SER A 37 12.635 8.091 -8.711 1.00 0.00 N ATOM 553 CA SER A 37 13.566 7.301 -9.566 1.00 0.00 C ATOM 554 C SER A 37 14.899 8.042 -9.688 1.00 0.00 C ATOM 555 O SER A 37 15.102 9.076 -9.085 1.00 0.00 O ATOM 556 CB SER A 37 12.954 7.122 -10.956 1.00 0.00 C ATOM 557 OG SER A 37 11.602 6.701 -10.824 1.00 0.00 O ATOM 0 H SER A 37 12.544 9.075 -8.962 1.00 0.00 H new ATOM 0 HA SER A 37 13.733 6.323 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.003 8.059 -11.511 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.522 6.386 -11.524 1.00 0.00 H new ATOM 0 HG SER A 37 11.011 7.481 -10.870 1.00 0.00 H new ATOM 563 N ALA A 38 15.810 7.520 -10.462 1.00 0.00 N ATOM 564 CA ALA A 38 17.128 8.195 -10.621 1.00 0.00 C ATOM 565 C ALA A 38 16.911 9.632 -11.098 1.00 0.00 C ATOM 566 O ALA A 38 17.640 10.534 -10.736 1.00 0.00 O ATOM 567 CB ALA A 38 17.969 7.438 -11.651 1.00 0.00 C ATOM 0 H ALA A 38 15.698 6.655 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 38 17.648 8.204 -9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.934 7.932 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.125 6.414 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.449 7.428 -12.609 1.00 0.00 H new ATOM 573 N LYS A 39 15.912 9.853 -11.908 1.00 0.00 N ATOM 574 CA LYS A 39 15.649 11.233 -12.407 1.00 0.00 C ATOM 575 C LYS A 39 14.203 11.329 -12.898 1.00 0.00 C ATOM 576 O LYS A 39 13.947 11.599 -14.055 1.00 0.00 O ATOM 577 CB LYS A 39 16.602 11.549 -13.562 1.00 0.00 C ATOM 578 CG LYS A 39 16.292 12.942 -14.114 1.00 0.00 C ATOM 579 CD LYS A 39 17.596 13.635 -14.511 1.00 0.00 C ATOM 580 CE LYS A 39 17.279 14.968 -15.191 1.00 0.00 C ATOM 581 NZ LYS A 39 16.991 16.000 -14.154 1.00 0.00 N ATOM 0 H LYS A 39 15.267 9.139 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 39 15.808 11.948 -11.600 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.635 11.505 -13.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.496 10.803 -14.349 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.632 12.864 -14.978 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.767 13.534 -13.364 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.214 13.803 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.168 12.998 -15.185 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.121 15.283 -15.808 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.422 14.855 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.776 16.906 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.175 15.700 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.821 16.114 -13.538 1.00 0.00 H new ATOM 595 N ALA A 40 13.255 11.111 -12.028 1.00 0.00 N ATOM 596 CA ALA A 40 11.827 11.191 -12.447 1.00 0.00 C ATOM 597 C ALA A 40 10.927 10.826 -11.265 1.00 0.00 C ATOM 598 O ALA A 40 10.557 9.684 -11.083 1.00 0.00 O ATOM 599 CB ALA A 40 11.578 10.213 -13.597 1.00 0.00 C ATOM 0 H ALA A 40 13.407 10.881 -11.046 1.00 0.00 H new ATOM 0 HA ALA A 40 11.601 12.205 -12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.534 10.271 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.219 10.472 -14.440 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.804 9.199 -13.267 1.00 0.00 H new ATOM 605 N SER A 41 10.571 11.790 -10.460 1.00 0.00 N ATOM 606 CA SER A 41 9.695 11.497 -9.290 1.00 0.00 C ATOM 607 C SER A 41 8.278 11.999 -9.578 1.00 0.00 C ATOM 608 O SER A 41 8.039 13.187 -9.681 1.00 0.00 O ATOM 609 CB SER A 41 10.245 12.204 -8.052 1.00 0.00 C ATOM 610 OG SER A 41 10.176 13.611 -8.245 1.00 0.00 O ATOM 0 H SER A 41 10.848 12.766 -10.562 1.00 0.00 H new ATOM 0 HA SER A 41 9.671 10.422 -9.113 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.671 11.918 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.276 11.900 -7.874 1.00 0.00 H new ATOM 0 HG SER A 41 9.291 13.851 -8.592 1.00 0.00 H new ATOM 616 N MET A 42 7.337 11.106 -9.709 1.00 0.00 N ATOM 617 CA MET A 42 5.937 11.533 -9.990 1.00 0.00 C ATOM 618 C MET A 42 4.987 10.845 -9.008 1.00 0.00 C ATOM 619 O MET A 42 5.408 10.145 -8.109 1.00 0.00 O ATOM 620 CB MET A 42 5.562 11.143 -11.421 1.00 0.00 C ATOM 621 CG MET A 42 5.809 12.329 -12.355 1.00 0.00 C ATOM 622 SD MET A 42 6.038 11.727 -14.047 1.00 0.00 S ATOM 623 CE MET A 42 5.861 13.323 -14.882 1.00 0.00 C ATOM 0 H MET A 42 7.477 10.098 -9.634 1.00 0.00 H new ATOM 0 HA MET A 42 5.857 12.614 -9.876 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.152 10.285 -11.742 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.515 10.844 -11.465 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.967 13.019 -12.314 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.691 12.883 -12.032 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.969 13.185 -15.958 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.877 13.739 -14.667 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.630 14.008 -14.525 1.00 0.00 H new ATOM 633 N GLU A 43 3.708 11.039 -9.172 1.00 0.00 N ATOM 634 CA GLU A 43 2.732 10.397 -8.247 1.00 0.00 C ATOM 635 C GLU A 43 1.893 9.376 -9.018 1.00 0.00 C ATOM 636 O GLU A 43 1.829 9.401 -10.232 1.00 0.00 O ATOM 637 CB GLU A 43 1.814 11.465 -7.651 1.00 0.00 C ATOM 638 CG GLU A 43 0.963 12.084 -8.762 1.00 0.00 C ATOM 639 CD GLU A 43 -0.503 12.110 -8.328 1.00 0.00 C ATOM 640 OE1 GLU A 43 -0.757 12.465 -7.188 1.00 0.00 O ATOM 641 OE2 GLU A 43 -1.348 11.775 -9.142 1.00 0.00 O ATOM 0 H GLU A 43 3.296 11.614 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 43 3.271 9.893 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.171 11.023 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.407 12.237 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.307 13.095 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.071 11.508 -9.681 1.00 0.00 H new ATOM 648 N VAL A 44 1.248 8.479 -8.324 1.00 0.00 N ATOM 649 CA VAL A 44 0.413 7.459 -9.018 1.00 0.00 C ATOM 650 C VAL A 44 -0.909 7.282 -8.258 1.00 0.00 C ATOM 651 O VAL A 44 -0.906 6.875 -7.113 1.00 0.00 O ATOM 652 CB VAL A 44 1.163 6.126 -9.046 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.319 5.080 -9.778 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.495 6.306 -9.777 1.00 0.00 C ATOM 0 H VAL A 44 1.263 8.408 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 44 0.208 7.786 -10.037 1.00 0.00 H new ATOM 0 HB VAL A 44 1.349 5.793 -8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.854 4.130 -9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.631 4.951 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.132 5.413 -10.799 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.030 5.357 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.308 6.639 -10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.098 7.051 -9.257 1.00 0.00 H new ATOM 664 N PRO A 45 -2.001 7.592 -8.914 1.00 0.00 N ATOM 665 CA PRO A 45 -3.340 7.473 -8.313 1.00 0.00 C ATOM 666 C PRO A 45 -3.796 6.012 -8.309 1.00 0.00 C ATOM 667 O PRO A 45 -3.023 5.110 -8.565 1.00 0.00 O ATOM 668 CB PRO A 45 -4.226 8.314 -9.234 1.00 0.00 C ATOM 669 CG PRO A 45 -3.490 8.393 -10.592 1.00 0.00 C ATOM 670 CD PRO A 45 -2.007 8.086 -10.306 1.00 0.00 C ATOM 0 HA PRO A 45 -3.373 7.807 -7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.209 7.858 -9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.384 9.309 -8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.905 7.676 -11.300 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.602 9.382 -11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.615 7.338 -10.996 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.388 8.976 -10.415 1.00 0.00 H new ATOM 678 N SER A 46 -5.043 5.775 -8.019 1.00 0.00 N ATOM 679 CA SER A 46 -5.551 4.374 -7.997 1.00 0.00 C ATOM 680 C SER A 46 -5.960 3.960 -9.416 1.00 0.00 C ATOM 681 O SER A 46 -6.564 4.734 -10.132 1.00 0.00 O ATOM 682 CB SER A 46 -6.763 4.288 -7.071 1.00 0.00 C ATOM 683 OG SER A 46 -7.497 3.107 -7.367 1.00 0.00 O ATOM 0 H SER A 46 -5.735 6.491 -7.796 1.00 0.00 H new ATOM 0 HA SER A 46 -4.769 3.707 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.440 4.278 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.396 5.166 -7.200 1.00 0.00 H new ATOM 0 HG SER A 46 -8.456 3.307 -7.356 1.00 0.00 H new ATOM 689 N PRO A 47 -5.619 2.748 -9.782 1.00 0.00 N ATOM 690 CA PRO A 47 -5.941 2.205 -11.113 1.00 0.00 C ATOM 691 C PRO A 47 -7.402 1.754 -11.168 1.00 0.00 C ATOM 692 O PRO A 47 -7.902 1.354 -12.200 1.00 0.00 O ATOM 693 CB PRO A 47 -4.996 1.009 -11.251 1.00 0.00 C ATOM 694 CG PRO A 47 -4.608 0.592 -9.811 1.00 0.00 C ATOM 695 CD PRO A 47 -4.882 1.812 -8.910 1.00 0.00 C ATOM 0 HA PRO A 47 -5.819 2.934 -11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.483 0.187 -11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.112 1.277 -11.830 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.193 -0.269 -9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.559 0.302 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.470 1.536 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.955 2.254 -8.545 1.00 0.00 H new ATOM 703 N LYS A 48 -8.088 1.816 -10.063 1.00 0.00 N ATOM 704 CA LYS A 48 -9.517 1.392 -10.046 1.00 0.00 C ATOM 705 C LYS A 48 -10.216 1.998 -8.826 1.00 0.00 C ATOM 706 O LYS A 48 -9.755 1.871 -7.709 1.00 0.00 O ATOM 707 CB LYS A 48 -9.594 -0.134 -9.973 1.00 0.00 C ATOM 708 CG LYS A 48 -9.979 -0.692 -11.344 1.00 0.00 C ATOM 709 CD LYS A 48 -9.457 -2.124 -11.479 1.00 0.00 C ATOM 710 CE LYS A 48 -10.629 -3.104 -11.415 1.00 0.00 C ATOM 711 NZ LYS A 48 -11.259 -3.214 -12.762 1.00 0.00 N ATOM 0 H LYS A 48 -7.722 2.142 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.010 1.738 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.633 -0.543 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.328 -0.436 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.062 -0.676 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.562 -0.066 -12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.924 -2.240 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.745 -2.339 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.281 -4.082 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.363 -2.763 -10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.056 -3.880 -12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.604 -2.280 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.556 -3.559 -13.447 1.00 0.00 H new ATOM 725 N ALA A 49 -11.325 2.654 -9.030 1.00 0.00 N ATOM 726 CA ALA A 49 -12.050 3.265 -7.881 1.00 0.00 C ATOM 727 C ALA A 49 -12.678 2.161 -7.028 1.00 0.00 C ATOM 728 O ALA A 49 -13.734 1.647 -7.338 1.00 0.00 O ATOM 729 CB ALA A 49 -13.150 4.190 -8.406 1.00 0.00 C ATOM 0 H ALA A 49 -11.760 2.793 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.350 3.839 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.681 4.637 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.704 4.977 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.850 3.615 -9.013 1.00 0.00 H new ATOM 735 N GLY A 50 -12.035 1.789 -5.954 1.00 0.00 N ATOM 736 CA GLY A 50 -12.595 0.717 -5.083 1.00 0.00 C ATOM 737 C GLY A 50 -12.117 0.924 -3.646 1.00 0.00 C ATOM 738 O GLY A 50 -12.118 2.025 -3.132 1.00 0.00 O ATOM 0 H GLY A 50 -11.146 2.181 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.684 0.735 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.280 -0.262 -5.445 1.00 0.00 H new ATOM 742 N VAL A 51 -11.708 -0.128 -2.990 1.00 0.00 N ATOM 743 CA VAL A 51 -11.229 0.009 -1.585 1.00 0.00 C ATOM 744 C VAL A 51 -9.901 -0.734 -1.425 1.00 0.00 C ATOM 745 O VAL A 51 -9.633 -1.700 -2.112 1.00 0.00 O ATOM 746 CB VAL A 51 -12.266 -0.588 -0.632 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.260 -2.113 -0.761 1.00 0.00 C ATOM 748 CG2 VAL A 51 -11.922 -0.197 0.806 1.00 0.00 C ATOM 0 H VAL A 51 -11.685 -1.076 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.086 1.064 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.255 -0.206 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.999 -2.538 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.505 -2.392 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.271 -2.496 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.661 -0.622 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.933 -0.579 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.927 0.889 0.899 1.00 0.00 H new ATOM 758 N VAL A 52 -9.067 -0.293 -0.523 1.00 0.00 N ATOM 759 CA VAL A 52 -7.758 -0.975 -0.321 1.00 0.00 C ATOM 760 C VAL A 52 -7.983 -2.309 0.395 1.00 0.00 C ATOM 761 O VAL A 52 -8.494 -2.355 1.496 1.00 0.00 O ATOM 762 CB VAL A 52 -6.846 -0.089 0.529 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.430 -0.667 0.530 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.818 1.324 -0.058 1.00 0.00 C ATOM 0 H VAL A 52 -9.236 0.510 0.083 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.290 -1.155 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.225 -0.052 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.780 -0.036 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.448 -1.674 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.051 -0.704 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.168 1.956 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.439 1.286 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.827 1.737 -0.060 1.00 0.00 H new ATOM 774 N LYS A 53 -7.605 -3.396 -0.222 1.00 0.00 N ATOM 775 CA LYS A 53 -7.798 -4.725 0.425 1.00 0.00 C ATOM 776 C LYS A 53 -6.541 -5.093 1.215 1.00 0.00 C ATOM 777 O LYS A 53 -6.615 -5.577 2.327 1.00 0.00 O ATOM 778 CB LYS A 53 -8.054 -5.783 -0.650 1.00 0.00 C ATOM 779 CG LYS A 53 -9.464 -6.355 -0.477 1.00 0.00 C ATOM 780 CD LYS A 53 -9.442 -7.859 -0.756 1.00 0.00 C ATOM 781 CE LYS A 53 -10.601 -8.532 -0.017 1.00 0.00 C ATOM 782 NZ LYS A 53 -10.795 -9.910 -0.549 1.00 0.00 N ATOM 0 H LYS A 53 -7.171 -3.421 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.652 -4.681 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.948 -5.343 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.315 -6.580 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.822 -6.167 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.156 -5.858 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.524 -8.042 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.493 -8.286 -0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.392 -8.569 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.514 -7.950 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.582 -10.368 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.013 -9.862 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.926 -10.463 -0.407 1.00 0.00 H new ATOM 796 N SER A 54 -5.387 -4.868 0.650 1.00 0.00 N ATOM 797 CA SER A 54 -4.126 -5.206 1.369 1.00 0.00 C ATOM 798 C SER A 54 -3.020 -4.240 0.940 1.00 0.00 C ATOM 799 O SER A 54 -2.935 -3.849 -0.207 1.00 0.00 O ATOM 800 CB SER A 54 -3.713 -6.638 1.028 1.00 0.00 C ATOM 801 OG SER A 54 -2.516 -6.959 1.722 1.00 0.00 O ATOM 0 H SER A 54 -5.262 -4.465 -0.279 1.00 0.00 H new ATOM 0 HA SER A 54 -4.286 -5.121 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.505 -7.333 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.562 -6.739 -0.047 1.00 0.00 H new ATOM 0 HG SER A 54 -2.249 -7.877 1.507 1.00 0.00 H new ATOM 807 N VAL A 55 -2.171 -3.853 1.853 1.00 0.00 N ATOM 808 CA VAL A 55 -1.072 -2.913 1.496 1.00 0.00 C ATOM 809 C VAL A 55 0.250 -3.680 1.419 1.00 0.00 C ATOM 810 O VAL A 55 0.811 -4.069 2.424 1.00 0.00 O ATOM 811 CB VAL A 55 -0.966 -1.822 2.563 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.011 -0.742 2.096 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.345 -1.197 2.789 1.00 0.00 C ATOM 0 H VAL A 55 -2.191 -4.147 2.829 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.285 -2.456 0.529 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.605 -2.259 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.086 0.035 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.993 -1.186 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.349 -0.304 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.272 -0.419 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.704 -0.761 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.043 -1.965 3.122 1.00 0.00 H new ATOM 823 N SER A 56 0.752 -3.899 0.235 1.00 0.00 N ATOM 824 CA SER A 56 2.038 -4.640 0.095 1.00 0.00 C ATOM 825 C SER A 56 3.207 -3.661 0.228 1.00 0.00 C ATOM 826 O SER A 56 4.344 -3.999 -0.040 1.00 0.00 O ATOM 827 CB SER A 56 2.091 -5.315 -1.275 1.00 0.00 C ATOM 828 OG SER A 56 2.607 -6.632 -1.129 1.00 0.00 O ATOM 0 H SER A 56 0.328 -3.597 -0.642 1.00 0.00 H new ATOM 0 HA SER A 56 2.108 -5.398 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.095 -5.349 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.720 -4.739 -1.953 1.00 0.00 H new ATOM 0 HG SER A 56 2.641 -7.069 -2.006 1.00 0.00 H new ATOM 834 N VAL A 57 2.938 -2.452 0.638 1.00 0.00 N ATOM 835 CA VAL A 57 4.034 -1.454 0.787 1.00 0.00 C ATOM 836 C VAL A 57 4.022 -0.891 2.209 1.00 0.00 C ATOM 837 O VAL A 57 3.180 -1.233 3.016 1.00 0.00 O ATOM 838 CB VAL A 57 3.827 -0.317 -0.215 1.00 0.00 C ATOM 839 CG1 VAL A 57 3.716 -0.893 -1.627 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.540 0.436 0.131 1.00 0.00 C ATOM 0 H VAL A 57 2.006 -2.112 0.876 1.00 0.00 H new ATOM 0 HA VAL A 57 4.993 -1.936 0.596 1.00 0.00 H new ATOM 0 HB VAL A 57 4.674 0.367 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.568 -0.082 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.631 -1.431 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.869 -1.577 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.390 1.247 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.694 -0.249 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.618 0.847 1.137 1.00 0.00 H new ATOM 850 N LYS A 58 4.952 -0.031 2.525 1.00 0.00 N ATOM 851 CA LYS A 58 4.992 0.553 3.895 1.00 0.00 C ATOM 852 C LYS A 58 5.064 2.077 3.799 1.00 0.00 C ATOM 853 O LYS A 58 4.658 2.667 2.818 1.00 0.00 O ATOM 854 CB LYS A 58 6.226 0.031 4.635 1.00 0.00 C ATOM 855 CG LYS A 58 5.803 -0.549 5.987 1.00 0.00 C ATOM 856 CD LYS A 58 6.921 -1.439 6.534 1.00 0.00 C ATOM 857 CE LYS A 58 6.586 -2.906 6.259 1.00 0.00 C ATOM 858 NZ LYS A 58 6.082 -3.542 7.509 1.00 0.00 N ATOM 0 H LYS A 58 5.685 0.292 1.894 1.00 0.00 H new ATOM 0 HA LYS A 58 4.092 0.266 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.724 -0.734 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.944 0.838 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.589 0.257 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.886 -1.127 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.870 -1.178 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.038 -1.276 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.834 -2.978 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.472 -3.432 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.854 -4.540 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.813 -3.485 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.227 -3.045 7.831 1.00 0.00 H new ATOM 872 N LEU A 59 5.575 2.722 4.813 1.00 0.00 N ATOM 873 CA LEU A 59 5.672 4.208 4.779 1.00 0.00 C ATOM 874 C LEU A 59 6.955 4.620 4.056 1.00 0.00 C ATOM 875 O LEU A 59 7.952 4.938 4.673 1.00 0.00 O ATOM 876 CB LEU A 59 5.695 4.751 6.209 1.00 0.00 C ATOM 877 CG LEU A 59 6.649 3.909 7.059 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.522 4.831 7.913 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.838 2.986 7.972 1.00 0.00 C ATOM 0 H LEU A 59 5.929 2.283 5.663 1.00 0.00 H new ATOM 0 HA LEU A 59 4.811 4.616 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.015 5.793 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.692 4.725 6.635 1.00 0.00 H new ATOM 0 HG LEU A 59 7.284 3.310 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.201 4.231 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.100 5.489 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.888 5.431 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.517 2.386 8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.203 3.586 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.216 2.328 7.365 1.00 0.00 H new ATOM 891 N GLY A 60 6.940 4.616 2.752 1.00 0.00 N ATOM 892 CA GLY A 60 8.159 5.008 1.990 1.00 0.00 C ATOM 893 C GLY A 60 9.187 3.876 2.050 1.00 0.00 C ATOM 894 O GLY A 60 10.356 4.100 2.297 1.00 0.00 O ATOM 0 H GLY A 60 6.136 4.358 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.899 5.222 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.583 5.921 2.408 1.00 0.00 H new ATOM 898 N ASP A 61 8.762 2.663 1.826 1.00 0.00 N ATOM 899 CA ASP A 61 9.716 1.520 1.872 1.00 0.00 C ATOM 900 C ASP A 61 10.403 1.375 0.512 1.00 0.00 C ATOM 901 O ASP A 61 10.050 2.033 -0.446 1.00 0.00 O ATOM 902 CB ASP A 61 8.955 0.233 2.197 1.00 0.00 C ATOM 903 CG ASP A 61 8.910 0.037 3.715 1.00 0.00 C ATOM 904 OD1 ASP A 61 8.984 1.028 4.422 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.801 -1.100 4.142 1.00 0.00 O ATOM 0 H ASP A 61 7.796 2.414 1.613 1.00 0.00 H new ATOM 0 HA ASP A 61 10.466 1.703 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.943 0.285 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.442 -0.620 1.724 1.00 0.00 H new ATOM 910 N LYS A 62 11.384 0.520 0.420 1.00 0.00 N ATOM 911 CA LYS A 62 12.094 0.335 -0.878 1.00 0.00 C ATOM 912 C LYS A 62 11.522 -0.885 -1.602 1.00 0.00 C ATOM 913 O LYS A 62 11.141 -1.862 -0.988 1.00 0.00 O ATOM 914 CB LYS A 62 13.586 0.120 -0.618 1.00 0.00 C ATOM 915 CG LYS A 62 13.782 -1.148 0.217 1.00 0.00 C ATOM 916 CD LYS A 62 14.403 -0.781 1.566 1.00 0.00 C ATOM 917 CE LYS A 62 15.924 -0.925 1.482 1.00 0.00 C ATOM 918 NZ LYS A 62 16.488 -1.046 2.856 1.00 0.00 N ATOM 0 H LYS A 62 11.725 -0.059 1.187 1.00 0.00 H new ATOM 0 HA LYS A 62 11.957 1.222 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.122 0.032 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.002 0.981 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.825 -1.647 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.427 -1.849 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.138 0.242 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.008 -1.429 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.185 -1.803 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.354 -0.061 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.522 -1.144 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.250 -0.195 3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.086 -1.883 3.324 1.00 0.00 H new ATOM 932 N LEU A 63 11.459 -0.837 -2.905 1.00 0.00 N ATOM 933 CA LEU A 63 10.912 -1.994 -3.667 1.00 0.00 C ATOM 934 C LEU A 63 11.583 -2.063 -5.041 1.00 0.00 C ATOM 935 O LEU A 63 12.516 -1.338 -5.323 1.00 0.00 O ATOM 936 CB LEU A 63 9.402 -1.821 -3.845 1.00 0.00 C ATOM 937 CG LEU A 63 8.678 -2.360 -2.611 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.043 -1.199 -1.843 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.585 -3.338 -3.049 1.00 0.00 C ATOM 0 H LEU A 63 11.763 -0.047 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 63 11.110 -2.915 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.161 -0.768 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.067 -2.351 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 63 9.392 -2.874 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.527 -1.584 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.820 -0.501 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.329 -0.684 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.068 -3.723 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.872 -2.823 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.036 -4.166 -3.597 1.00 0.00 H new ATOM 951 N LYS A 64 11.114 -2.929 -5.897 1.00 0.00 N ATOM 952 CA LYS A 64 11.727 -3.042 -7.251 1.00 0.00 C ATOM 953 C LYS A 64 10.623 -3.202 -8.298 1.00 0.00 C ATOM 954 O LYS A 64 9.591 -3.790 -8.041 1.00 0.00 O ATOM 955 CB LYS A 64 12.651 -4.261 -7.293 1.00 0.00 C ATOM 956 CG LYS A 64 13.968 -3.882 -7.972 1.00 0.00 C ATOM 957 CD LYS A 64 13.768 -3.839 -9.488 1.00 0.00 C ATOM 958 CE LYS A 64 14.872 -4.647 -10.172 1.00 0.00 C ATOM 959 NZ LYS A 64 16.184 -3.971 -9.965 1.00 0.00 N ATOM 0 H LYS A 64 10.334 -3.562 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 64 12.304 -2.142 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.842 -4.621 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.171 -5.075 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.309 -2.911 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.742 -4.606 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.791 -4.246 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.787 -2.807 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.903 -5.658 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.663 -4.739 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.716 -3.965 -10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.025 -2.993 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.728 -4.483 -9.241 1.00 0.00 H new ATOM 973 N GLU A 65 10.831 -2.682 -9.477 1.00 0.00 N ATOM 974 CA GLU A 65 9.797 -2.800 -10.539 1.00 0.00 C ATOM 975 C GLU A 65 9.265 -4.235 -10.584 1.00 0.00 C ATOM 976 O GLU A 65 9.974 -5.179 -10.297 1.00 0.00 O ATOM 977 CB GLU A 65 10.415 -2.443 -11.892 1.00 0.00 C ATOM 978 CG GLU A 65 11.369 -3.557 -12.327 1.00 0.00 C ATOM 979 CD GLU A 65 12.494 -2.962 -13.177 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.221 -2.586 -14.306 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.608 -2.893 -12.687 1.00 0.00 O ATOM 0 H GLU A 65 11.676 -2.179 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 65 8.975 -2.118 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.631 -2.309 -12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.952 -1.497 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.785 -4.056 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.828 -4.312 -12.898 1.00 0.00 H new ATOM 988 N GLY A 66 8.023 -4.407 -10.946 1.00 0.00 N ATOM 989 CA GLY A 66 7.447 -5.780 -11.014 1.00 0.00 C ATOM 990 C GLY A 66 6.925 -6.187 -9.635 1.00 0.00 C ATOM 991 O GLY A 66 5.854 -6.747 -9.507 1.00 0.00 O ATOM 0 H GLY A 66 7.382 -3.655 -11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.638 -5.810 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.205 -6.487 -11.350 1.00 0.00 H new ATOM 995 N ASP A 67 7.674 -5.914 -8.603 1.00 0.00 N ATOM 996 CA ASP A 67 7.221 -6.287 -7.234 1.00 0.00 C ATOM 997 C ASP A 67 5.796 -5.777 -7.008 1.00 0.00 C ATOM 998 O ASP A 67 5.473 -4.649 -7.325 1.00 0.00 O ATOM 999 CB ASP A 67 8.158 -5.658 -6.200 1.00 0.00 C ATOM 1000 CG ASP A 67 9.544 -6.295 -6.313 1.00 0.00 C ATOM 1001 OD1 ASP A 67 10.028 -6.419 -7.426 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.099 -6.647 -5.284 1.00 0.00 O ATOM 0 H ASP A 67 8.580 -5.449 -8.649 1.00 0.00 H new ATOM 0 HA ASP A 67 7.237 -7.372 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.226 -4.582 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.760 -5.804 -5.196 1.00 0.00 H new ATOM 1007 N ALA A 68 4.941 -6.599 -6.464 1.00 0.00 N ATOM 1008 CA ALA A 68 3.538 -6.162 -6.218 1.00 0.00 C ATOM 1009 C ALA A 68 3.541 -4.796 -5.529 1.00 0.00 C ATOM 1010 O ALA A 68 4.577 -4.275 -5.167 1.00 0.00 O ATOM 1011 CB ALA A 68 2.837 -7.184 -5.320 1.00 0.00 C ATOM 0 H ALA A 68 5.154 -7.555 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 68 3.009 -6.088 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.810 -6.866 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.834 -8.158 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.367 -7.258 -4.370 1.00 0.00 H new ATOM 1017 N ILE A 69 2.389 -4.210 -5.347 1.00 0.00 N ATOM 1018 CA ILE A 69 2.327 -2.878 -4.681 1.00 0.00 C ATOM 1019 C ILE A 69 1.077 -2.804 -3.803 1.00 0.00 C ATOM 1020 O ILE A 69 1.157 -2.593 -2.609 1.00 0.00 O ATOM 1021 CB ILE A 69 2.268 -1.780 -5.744 1.00 0.00 C ATOM 1022 CG1 ILE A 69 3.609 -1.713 -6.481 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.990 -0.432 -5.073 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.702 -1.255 -5.515 1.00 0.00 C ATOM 0 H ILE A 69 1.488 -4.596 -5.631 1.00 0.00 H new ATOM 0 HA ILE A 69 3.214 -2.739 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 69 1.471 -2.004 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.859 -2.691 -6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.540 -1.023 -7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.948 0.350 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.037 -0.478 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.787 -0.207 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.656 -1.208 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.453 -0.268 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.778 -1.962 -4.689 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.079 -2.976 -4.383 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.333 -2.915 -3.581 1.00 0.00 C ATOM 1038 C ILE A 70 -2.396 -3.804 -4.228 1.00 0.00 C ATOM 1039 O ILE A 70 -2.165 -4.423 -5.248 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.837 -1.472 -3.530 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.759 -0.856 -4.929 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.969 -0.660 -2.568 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -2.856 -1.454 -5.812 1.00 0.00 C ATOM 0 H ILE A 70 -0.209 -3.156 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.133 -3.266 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.870 -1.461 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.876 0.226 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.780 -1.047 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.329 0.368 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.023 -1.098 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.065 -0.671 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.801 -1.015 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.719 -2.533 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.832 -1.240 -5.375 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.561 -3.873 -3.644 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.637 -4.722 -4.227 1.00 0.00 C ATOM 1057 C GLU A 71 -5.996 -4.061 -3.987 1.00 0.00 C ATOM 1058 O GLU A 71 -6.583 -4.192 -2.932 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.617 -6.100 -3.562 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.288 -6.793 -3.867 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.465 -8.309 -3.754 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.554 -8.780 -4.033 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.507 -8.972 -3.390 1.00 0.00 O ATOM 0 H GLU A 71 -3.814 -3.378 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.471 -4.833 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.747 -5.998 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.447 -6.704 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.950 -6.529 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.520 -6.453 -3.172 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.500 -3.350 -4.958 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.821 -2.681 -4.784 1.00 0.00 C ATOM 1072 C LEU A 72 -8.933 -3.619 -5.258 1.00 0.00 C ATOM 1073 O LEU A 72 -8.925 -4.092 -6.377 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.853 -1.393 -5.610 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.257 -0.789 -5.557 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.192 0.599 -4.920 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.814 -0.672 -6.978 1.00 0.00 C ATOM 0 H LEU A 72 -6.055 -3.203 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.972 -2.441 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.124 -0.681 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.575 -1.603 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.907 -1.431 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.193 1.029 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.794 0.517 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.543 1.242 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.815 -0.242 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.164 -0.030 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.861 -1.661 -7.433 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.891 -3.892 -4.414 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.002 -4.799 -4.818 1.00 0.00 C ATOM 1091 C GLU A 73 -12.148 -3.968 -5.409 1.00 0.00 C ATOM 1092 O GLU A 73 -12.444 -2.896 -4.921 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.506 -5.564 -3.592 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.665 -6.475 -3.997 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.313 -7.067 -2.744 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.956 -6.320 -2.024 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.155 -8.256 -2.525 1.00 0.00 O ATOM 0 H GLU A 73 -9.952 -3.527 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.642 -5.507 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.698 -6.156 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.832 -4.864 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.402 -5.911 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.304 -7.274 -4.644 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.759 -4.490 -6.444 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.879 -3.816 -7.125 1.00 0.00 C ATOM 1106 C PRO A 74 -15.174 -3.993 -6.325 1.00 0.00 C ATOM 1107 O PRO A 74 -15.834 -3.035 -5.975 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.967 -4.538 -8.471 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.299 -5.920 -8.270 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.393 -5.795 -7.031 1.00 0.00 C ATOM 0 HA PRO A 74 -13.732 -2.741 -7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.005 -4.650 -8.784 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.458 -3.970 -9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.050 -6.696 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.718 -6.201 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.565 -6.610 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.338 -5.827 -7.304 1.00 0.00 H new