USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 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+ 174:sc= 0 (180deg=-0.0635) USER MOD Single : A 1 SER OG : rot 25:sc= 0.467! 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= -0.571 X(o=-0.57,f=-0.16) USER MOD Single : A 37 SER OG : rot -150:sc= -1.43 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 42 MET CE :methyl -138:sc= -3.8 (180deg=-8.76!) USER MOD Single : A 46 SER OG : rot -119:sc= -0.472 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 -10.261 -8.701 -8.853 1.00 0.00 N ATOM 2 CA SER A 1 -9.278 -7.696 -8.358 1.00 0.00 C ATOM 3 C SER A 1 -7.875 -8.079 -8.833 1.00 0.00 C ATOM 4 O SER A 1 -7.372 -9.141 -8.523 1.00 0.00 O ATOM 5 CB SER A 1 -9.308 -7.662 -6.830 1.00 0.00 C ATOM 6 OG SER A 1 -8.631 -8.804 -6.322 1.00 0.00 O ATOM 0 H1 SER A 1 -11.197 -8.499 -8.448 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.315 -8.652 -9.890 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.958 -9.654 -8.567 1.00 0.00 H new ATOM 0 HA SER A 1 -9.537 -6.712 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.833 -6.751 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.339 -7.648 -6.475 1.00 0.00 H new ATOM 0 HG SER A 1 -7.989 -9.127 -6.988 1.00 0.00 H new ATOM 14 N GLU A 2 -7.238 -7.223 -9.584 1.00 0.00 N ATOM 15 CA GLU A 2 -5.867 -7.540 -10.078 1.00 0.00 C ATOM 16 C GLU A 2 -4.831 -6.886 -9.162 1.00 0.00 C ATOM 17 O GLU A 2 -5.167 -6.163 -8.245 1.00 0.00 O ATOM 18 CB GLU A 2 -5.702 -7.003 -11.501 1.00 0.00 C ATOM 19 CG GLU A 2 -6.943 -7.350 -12.325 1.00 0.00 C ATOM 20 CD GLU A 2 -6.638 -7.158 -13.812 1.00 0.00 C ATOM 21 OE1 GLU A 2 -5.479 -6.966 -14.139 1.00 0.00 O ATOM 22 OE2 GLU A 2 -7.570 -7.207 -14.599 1.00 0.00 O ATOM 0 H GLU A 2 -7.607 -6.318 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.721 -8.620 -10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.558 -5.923 -11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.814 -7.434 -11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.243 -8.381 -12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.778 -6.715 -12.029 1.00 0.00 H new ATOM 29 N ILE A 3 -3.573 -7.135 -9.404 1.00 0.00 N ATOM 30 CA ILE A 3 -2.516 -6.528 -8.548 1.00 0.00 C ATOM 31 C ILE A 3 -1.840 -5.383 -9.306 1.00 0.00 C ATOM 32 O ILE A 3 -1.702 -5.422 -10.513 1.00 0.00 O ATOM 33 CB ILE A 3 -1.474 -7.590 -8.194 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.185 -8.861 -7.723 1.00 0.00 C ATOM 35 CG2 ILE A 3 -0.570 -7.068 -7.076 1.00 0.00 C ATOM 36 CD1 ILE A 3 -2.468 -9.764 -8.925 1.00 0.00 C ATOM 0 H ILE A 3 -3.232 -7.732 -10.157 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.967 -6.142 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.870 -7.814 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.567 -9.388 -6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.118 -8.604 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.172 -7.826 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.065 -6.162 -7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.172 -6.844 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.974 -10.669 -8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.103 -9.235 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.528 -10.032 -9.408 1.00 0.00 H new ATOM 48 N ILE A 4 -1.418 -4.365 -8.609 1.00 0.00 N ATOM 49 CA ILE A 4 -0.753 -3.219 -9.291 1.00 0.00 C ATOM 50 C ILE A 4 0.758 -3.288 -9.051 1.00 0.00 C ATOM 51 O ILE A 4 1.249 -2.891 -8.014 1.00 0.00 O ATOM 52 CB ILE A 4 -1.298 -1.905 -8.730 1.00 0.00 C ATOM 53 CG1 ILE A 4 -2.768 -1.753 -9.132 1.00 0.00 C ATOM 54 CG2 ILE A 4 -0.493 -0.734 -9.293 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.316 -0.437 -8.576 1.00 0.00 C ATOM 0 H ILE A 4 -1.505 -4.277 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.954 -3.268 -10.361 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.214 -1.912 -7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.863 -1.769 -10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.349 -2.592 -8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.883 0.202 -8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.554 -0.842 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.575 -0.725 -10.380 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.362 -0.329 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.235 -0.440 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.741 0.396 -8.980 1.00 0.00 H new ATOM 67 N ARG A 5 1.495 -3.792 -10.001 1.00 0.00 N ATOM 68 CA ARG A 5 2.973 -3.888 -9.827 1.00 0.00 C ATOM 69 C ARG A 5 3.634 -2.621 -10.374 1.00 0.00 C ATOM 70 O ARG A 5 3.022 -1.846 -11.083 1.00 0.00 O ATOM 71 CB ARG A 5 3.498 -5.106 -10.588 1.00 0.00 C ATOM 72 CG ARG A 5 3.256 -4.916 -12.087 1.00 0.00 C ATOM 73 CD ARG A 5 3.242 -6.281 -12.779 1.00 0.00 C ATOM 74 NE ARG A 5 1.944 -6.464 -13.488 1.00 0.00 N ATOM 75 CZ ARG A 5 1.587 -5.627 -14.424 1.00 0.00 C ATOM 76 NH1 ARG A 5 2.452 -4.775 -14.905 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.364 -5.640 -14.879 1.00 0.00 N ATOM 0 H ARG A 5 1.139 -4.142 -10.891 1.00 0.00 H new ATOM 0 HA ARG A 5 3.208 -3.992 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.563 -5.237 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.997 -6.009 -10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.308 -4.404 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.037 -4.287 -12.515 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.068 -6.351 -13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.383 -7.074 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 5 1.334 -7.244 -13.242 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.408 -4.763 -14.549 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.172 -4.122 -15.636 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.313 -6.304 -14.503 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.085 -4.986 -15.610 1.00 0.00 H new ATOM 91 N VAL A 6 4.879 -2.404 -10.050 1.00 0.00 N ATOM 92 CA VAL A 6 5.579 -1.187 -10.551 1.00 0.00 C ATOM 93 C VAL A 6 5.482 -1.139 -12.081 1.00 0.00 C ATOM 94 O VAL A 6 5.559 -2.160 -12.734 1.00 0.00 O ATOM 95 CB VAL A 6 7.050 -1.240 -10.134 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.813 -0.090 -10.794 1.00 0.00 C ATOM 97 CG2 VAL A 6 7.153 -1.112 -8.613 1.00 0.00 C ATOM 0 H VAL A 6 5.442 -3.017 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 6 5.113 -0.297 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 6 7.482 -2.190 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.861 -0.130 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.741 -0.180 -11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.382 0.860 -10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.201 -1.150 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.720 -0.163 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.612 -1.932 -8.141 1.00 0.00 H new ATOM 107 N PRO A 7 5.315 0.050 -12.606 1.00 0.00 N ATOM 108 CA PRO A 7 5.204 0.265 -14.060 1.00 0.00 C ATOM 109 C PRO A 7 6.587 0.212 -14.714 1.00 0.00 C ATOM 110 O PRO A 7 7.571 -0.117 -14.083 1.00 0.00 O ATOM 111 CB PRO A 7 4.600 1.667 -14.169 1.00 0.00 C ATOM 112 CG PRO A 7 4.924 2.387 -12.839 1.00 0.00 C ATOM 113 CD PRO A 7 5.223 1.287 -11.803 1.00 0.00 C ATOM 0 HA PRO A 7 4.602 -0.492 -14.563 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.023 2.207 -15.016 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.523 1.615 -14.330 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.780 3.051 -12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.084 3.003 -12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.152 1.485 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.433 1.219 -11.055 1.00 0.00 H new ATOM 121 N ASP A 8 6.668 0.532 -15.977 1.00 0.00 N ATOM 122 CA ASP A 8 7.986 0.501 -16.670 1.00 0.00 C ATOM 123 C ASP A 8 8.726 1.816 -16.419 1.00 0.00 C ATOM 124 O ASP A 8 8.409 2.837 -16.995 1.00 0.00 O ATOM 125 CB ASP A 8 7.768 0.316 -18.174 1.00 0.00 C ATOM 126 CG ASP A 8 9.110 0.040 -18.854 1.00 0.00 C ATOM 127 OD1 ASP A 8 10.034 -0.348 -18.160 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.189 0.222 -20.058 1.00 0.00 O ATOM 0 H ASP A 8 5.878 0.813 -16.558 1.00 0.00 H new ATOM 0 HA ASP A 8 8.579 -0.328 -16.285 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.080 -0.511 -18.354 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.310 1.209 -18.598 1.00 0.00 H new ATOM 133 N ILE A 9 9.709 1.799 -15.561 1.00 0.00 N ATOM 134 CA ILE A 9 10.468 3.049 -15.272 1.00 0.00 C ATOM 135 C ILE A 9 11.831 2.986 -15.964 1.00 0.00 C ATOM 136 O ILE A 9 12.298 3.957 -16.527 1.00 0.00 O ATOM 137 CB ILE A 9 10.678 3.212 -13.757 1.00 0.00 C ATOM 138 CG1 ILE A 9 10.106 2.003 -13.004 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.969 4.480 -13.281 1.00 0.00 C ATOM 140 CD1 ILE A 9 10.357 2.170 -11.505 1.00 0.00 C ATOM 0 H ILE A 9 10.019 0.974 -15.048 1.00 0.00 H new ATOM 0 HA ILE A 9 9.898 3.900 -15.645 1.00 0.00 H new ATOM 0 HB ILE A 9 11.747 3.283 -13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.037 1.914 -13.197 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.572 1.085 -13.361 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.116 4.598 -12.207 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.382 5.345 -13.801 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.903 4.403 -13.495 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.951 1.311 -10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.429 2.238 -11.321 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.870 3.080 -11.154 1.00 0.00 H new ATOM 152 N GLY A 10 12.473 1.851 -15.930 1.00 0.00 N ATOM 153 CA GLY A 10 13.805 1.726 -16.587 1.00 0.00 C ATOM 154 C GLY A 10 14.909 1.895 -15.542 1.00 0.00 C ATOM 155 O GLY A 10 16.072 2.023 -15.869 1.00 0.00 O ATOM 0 H GLY A 10 12.133 1.004 -15.475 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.894 0.753 -17.071 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.910 2.480 -17.367 1.00 0.00 H new ATOM 159 N GLY A 11 14.555 1.895 -14.286 1.00 0.00 N ATOM 160 CA GLY A 11 15.585 2.056 -13.222 1.00 0.00 C ATOM 161 C GLY A 11 15.182 1.237 -11.994 1.00 0.00 C ATOM 162 O GLY A 11 14.944 0.049 -12.079 1.00 0.00 O ATOM 0 H GLY A 11 13.597 1.790 -13.951 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.557 1.727 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.685 3.108 -12.954 1.00 0.00 H new ATOM 166 N ASP A 12 15.103 1.863 -10.852 1.00 0.00 N ATOM 167 CA ASP A 12 14.716 1.119 -9.620 1.00 0.00 C ATOM 168 C ASP A 12 13.538 1.828 -8.947 1.00 0.00 C ATOM 169 O ASP A 12 13.607 2.995 -8.623 1.00 0.00 O ATOM 170 CB ASP A 12 15.902 1.074 -8.656 1.00 0.00 C ATOM 171 CG ASP A 12 16.503 -0.334 -8.651 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.899 -0.790 -9.710 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.556 -0.930 -7.588 1.00 0.00 O ATOM 0 H ASP A 12 15.290 2.857 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 12 14.426 0.102 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.656 1.802 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.578 1.346 -7.651 1.00 0.00 H new ATOM 178 N GLY A 13 12.457 1.128 -8.735 1.00 0.00 N ATOM 179 CA GLY A 13 11.275 1.762 -8.084 1.00 0.00 C ATOM 180 C GLY A 13 11.634 2.162 -6.651 1.00 0.00 C ATOM 181 O GLY A 13 12.424 1.513 -5.995 1.00 0.00 O ATOM 0 H GLY A 13 12.341 0.146 -8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.962 2.639 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.434 1.069 -8.079 1.00 0.00 H new ATOM 185 N GLU A 14 11.061 3.228 -6.162 1.00 0.00 N ATOM 186 CA GLU A 14 11.370 3.668 -4.773 1.00 0.00 C ATOM 187 C GLU A 14 10.136 4.335 -4.163 1.00 0.00 C ATOM 188 O GLU A 14 9.832 5.477 -4.446 1.00 0.00 O ATOM 189 CB GLU A 14 12.529 4.668 -4.801 1.00 0.00 C ATOM 190 CG GLU A 14 13.636 4.194 -3.857 1.00 0.00 C ATOM 191 CD GLU A 14 13.526 4.938 -2.526 1.00 0.00 C ATOM 192 OE1 GLU A 14 12.464 4.892 -1.928 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.508 5.544 -2.126 1.00 0.00 O ATOM 0 H GLU A 14 10.393 3.812 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 14 11.650 2.803 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.917 4.762 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.179 5.655 -4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.553 3.120 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.613 4.373 -4.306 1.00 0.00 H new ATOM 200 N VAL A 15 9.422 3.632 -3.327 1.00 0.00 N ATOM 201 CA VAL A 15 8.209 4.228 -2.700 1.00 0.00 C ATOM 202 C VAL A 15 8.552 5.611 -2.142 1.00 0.00 C ATOM 203 O VAL A 15 9.669 5.869 -1.740 1.00 0.00 O ATOM 204 CB VAL A 15 7.725 3.326 -1.564 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.406 3.865 -1.009 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.510 1.907 -2.099 1.00 0.00 C ATOM 0 H VAL A 15 9.626 2.671 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 15 7.422 4.322 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 15 8.472 3.309 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.062 3.221 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.557 4.876 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.658 3.883 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.165 1.262 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.763 1.927 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.449 1.521 -2.495 1.00 0.00 H new ATOM 216 N ILE A 16 7.599 6.503 -2.115 1.00 0.00 N ATOM 217 CA ILE A 16 7.874 7.868 -1.583 1.00 0.00 C ATOM 218 C ILE A 16 6.844 8.212 -0.506 1.00 0.00 C ATOM 219 O ILE A 16 7.180 8.425 0.643 1.00 0.00 O ATOM 220 CB ILE A 16 7.780 8.886 -2.721 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.694 8.450 -3.869 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.222 10.261 -2.213 1.00 0.00 C ATOM 223 CD1 ILE A 16 8.325 9.224 -5.137 1.00 0.00 C ATOM 0 H ILE A 16 6.644 6.346 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 16 8.875 7.896 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 16 6.751 8.943 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.736 8.634 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.593 7.379 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.155 10.987 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.574 10.572 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.252 10.205 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.976 8.914 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.288 9.018 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.449 10.292 -4.960 1.00 0.00 H new ATOM 235 N GLU A 17 5.591 8.269 -0.865 1.00 0.00 N ATOM 236 CA GLU A 17 4.542 8.600 0.141 1.00 0.00 C ATOM 237 C GLU A 17 3.229 7.918 -0.247 1.00 0.00 C ATOM 238 O GLU A 17 2.948 7.706 -1.410 1.00 0.00 O ATOM 239 CB GLU A 17 4.336 10.116 0.183 1.00 0.00 C ATOM 240 CG GLU A 17 4.219 10.575 1.638 1.00 0.00 C ATOM 241 CD GLU A 17 5.600 10.976 2.160 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.443 10.103 2.278 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.790 12.150 2.431 1.00 0.00 O ATOM 0 H GLU A 17 5.248 8.101 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 17 4.857 8.248 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.171 10.621 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.436 10.387 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.532 11.418 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.805 9.774 2.251 1.00 0.00 H new ATOM 250 N LEU A 18 2.421 7.574 0.719 1.00 0.00 N ATOM 251 CA LEU A 18 1.126 6.907 0.406 1.00 0.00 C ATOM 252 C LEU A 18 -0.028 7.768 0.922 1.00 0.00 C ATOM 253 O LEU A 18 0.035 8.324 2.001 1.00 0.00 O ATOM 254 CB LEU A 18 1.083 5.535 1.083 1.00 0.00 C ATOM 255 CG LEU A 18 0.021 4.666 0.409 1.00 0.00 C ATOM 256 CD1 LEU A 18 0.670 3.831 -0.697 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.609 3.734 1.447 1.00 0.00 C ATOM 0 H LEU A 18 2.602 7.726 1.711 1.00 0.00 H new ATOM 0 HA LEU A 18 1.032 6.783 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.059 5.054 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.856 5.648 2.143 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.750 5.305 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.087 3.212 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.120 4.493 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.441 3.192 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.366 3.114 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.162 3.096 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.072 4.327 2.235 1.00 0.00 H new ATOM 269 N LEU A 19 -1.081 7.886 0.160 1.00 0.00 N ATOM 270 CA LEU A 19 -2.236 8.714 0.610 1.00 0.00 C ATOM 271 C LEU A 19 -3.523 7.894 0.508 1.00 0.00 C ATOM 272 O LEU A 19 -4.484 8.303 -0.116 1.00 0.00 O ATOM 273 CB LEU A 19 -2.349 9.956 -0.276 1.00 0.00 C ATOM 274 CG LEU A 19 -1.929 9.605 -1.704 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.990 8.708 -2.343 1.00 0.00 C ATOM 276 CD2 LEU A 19 -1.789 10.890 -2.524 1.00 0.00 C ATOM 0 H LEU A 19 -1.192 7.446 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.083 9.019 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.373 10.329 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.716 10.753 0.115 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.974 9.080 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.690 8.458 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.092 7.793 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.945 9.233 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.490 10.641 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.744 11.414 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.033 11.531 -2.070 1.00 0.00 H new ATOM 288 N VAL A 20 -3.554 6.740 1.116 1.00 0.00 N ATOM 289 CA VAL A 20 -4.782 5.896 1.055 1.00 0.00 C ATOM 290 C VAL A 20 -4.964 5.167 2.387 1.00 0.00 C ATOM 291 O VAL A 20 -4.034 5.012 3.154 1.00 0.00 O ATOM 292 CB VAL A 20 -4.641 4.873 -0.073 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.719 5.587 -1.424 1.00 0.00 C ATOM 294 CG2 VAL A 20 -3.292 4.161 0.049 1.00 0.00 C ATOM 0 H VAL A 20 -2.782 6.344 1.653 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.650 6.528 0.865 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.446 4.142 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.618 4.857 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.680 6.094 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.914 6.319 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.191 3.432 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.487 4.892 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.235 3.651 1.011 1.00 0.00 H new ATOM 304 N LYS A 21 -6.155 4.716 2.670 1.00 0.00 N ATOM 305 CA LYS A 21 -6.393 3.996 3.954 1.00 0.00 C ATOM 306 C LYS A 21 -6.681 2.521 3.668 1.00 0.00 C ATOM 307 O LYS A 21 -6.536 2.054 2.555 1.00 0.00 O ATOM 308 CB LYS A 21 -7.591 4.619 4.673 1.00 0.00 C ATOM 309 CG LYS A 21 -7.152 5.130 6.047 1.00 0.00 C ATOM 310 CD LYS A 21 -6.273 6.370 5.875 1.00 0.00 C ATOM 311 CE LYS A 21 -5.085 6.293 6.836 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.918 7.605 7.525 1.00 0.00 N ATOM 0 H LYS A 21 -6.973 4.814 2.069 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.508 4.077 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.998 5.439 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.386 3.881 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.025 5.372 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.602 4.352 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.918 6.437 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.855 7.271 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.247 5.503 7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.177 6.039 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.111 7.554 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.745 8.348 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.782 7.829 8.059 1.00 0.00 H new ATOM 326 N THR A 22 -7.085 1.782 4.665 1.00 0.00 N ATOM 327 CA THR A 22 -7.379 0.337 4.453 1.00 0.00 C ATOM 328 C THR A 22 -8.814 0.169 3.950 1.00 0.00 C ATOM 329 O THR A 22 -9.763 0.534 4.616 1.00 0.00 O ATOM 330 CB THR A 22 -7.211 -0.416 5.774 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.875 -0.266 6.236 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.515 -1.900 5.562 1.00 0.00 C ATOM 0 H THR A 22 -7.224 2.117 5.618 1.00 0.00 H new ATOM 0 HA THR A 22 -6.689 -0.066 3.712 1.00 0.00 H new ATOM 0 HB THR A 22 -7.901 -0.009 6.514 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.766 -0.746 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.395 -2.434 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.540 -2.015 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.828 -2.310 4.822 1.00 0.00 H new ATOM 340 N GLY A 23 -8.981 -0.387 2.781 1.00 0.00 N ATOM 341 CA GLY A 23 -10.355 -0.588 2.235 1.00 0.00 C ATOM 342 C GLY A 23 -10.949 0.755 1.808 1.00 0.00 C ATOM 343 O GLY A 23 -12.078 0.829 1.365 1.00 0.00 O ATOM 0 H GLY A 23 -8.224 -0.712 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.321 -1.267 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.990 -1.053 2.989 1.00 0.00 H new ATOM 347 N ASP A 24 -10.203 1.820 1.929 1.00 0.00 N ATOM 348 CA ASP A 24 -10.742 3.147 1.519 1.00 0.00 C ATOM 349 C ASP A 24 -10.877 3.184 -0.002 1.00 0.00 C ATOM 350 O ASP A 24 -9.953 2.868 -0.724 1.00 0.00 O ATOM 351 CB ASP A 24 -9.795 4.257 1.974 1.00 0.00 C ATOM 352 CG ASP A 24 -10.106 4.631 3.424 1.00 0.00 C ATOM 353 OD1 ASP A 24 -10.421 3.736 4.191 1.00 0.00 O ATOM 354 OD2 ASP A 24 -10.023 5.805 3.743 1.00 0.00 O ATOM 0 H ASP A 24 -9.250 1.828 2.292 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.717 3.300 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.760 3.925 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.905 5.130 1.331 1.00 0.00 H new ATOM 359 N LEU A 25 -12.023 3.568 -0.493 1.00 0.00 N ATOM 360 CA LEU A 25 -12.223 3.620 -1.969 1.00 0.00 C ATOM 361 C LEU A 25 -11.851 5.009 -2.492 1.00 0.00 C ATOM 362 O LEU A 25 -12.079 6.009 -1.841 1.00 0.00 O ATOM 363 CB LEU A 25 -13.691 3.331 -2.294 1.00 0.00 C ATOM 364 CG LEU A 25 -13.794 2.717 -3.691 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.878 1.638 -3.696 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.158 3.809 -4.701 1.00 0.00 C ATOM 0 H LEU A 25 -12.830 3.848 0.064 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.588 2.873 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.111 2.650 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.273 4.251 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.837 2.272 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.951 1.201 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.621 0.861 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.835 2.083 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.232 3.373 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.115 4.253 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.387 4.579 -4.698 1.00 0.00 H new ATOM 378 N ILE A 26 -11.281 5.077 -3.664 1.00 0.00 N ATOM 379 CA ILE A 26 -10.896 6.395 -4.232 1.00 0.00 C ATOM 380 C ILE A 26 -11.743 6.651 -5.483 1.00 0.00 C ATOM 381 O ILE A 26 -12.673 5.924 -5.770 1.00 0.00 O ATOM 382 CB ILE A 26 -9.411 6.368 -4.607 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.609 5.590 -3.554 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.869 7.797 -4.680 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.645 4.631 -4.253 1.00 0.00 C ATOM 0 H ILE A 26 -11.066 4.272 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.065 7.187 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.309 5.880 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.055 6.282 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.285 5.034 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.813 7.772 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.421 8.357 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.987 8.281 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.076 4.079 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.210 3.931 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.961 5.198 -4.884 1.00 0.00 H new ATOM 397 N GLU A 27 -11.433 7.672 -6.229 1.00 0.00 N ATOM 398 CA GLU A 27 -12.224 7.964 -7.456 1.00 0.00 C ATOM 399 C GLU A 27 -11.467 7.451 -8.683 1.00 0.00 C ATOM 400 O GLU A 27 -10.333 7.026 -8.590 1.00 0.00 O ATOM 401 CB GLU A 27 -12.435 9.474 -7.579 1.00 0.00 C ATOM 402 CG GLU A 27 -13.834 9.838 -7.076 1.00 0.00 C ATOM 403 CD GLU A 27 -14.709 10.256 -8.259 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.301 10.022 -9.385 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.771 10.806 -8.019 1.00 0.00 O ATOM 0 H GLU A 27 -10.666 8.318 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.192 7.467 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.679 10.006 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.318 9.785 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.280 8.986 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.772 10.650 -6.351 1.00 0.00 H new ATOM 412 N VAL A 28 -12.084 7.488 -9.833 1.00 0.00 N ATOM 413 CA VAL A 28 -11.398 7.001 -11.062 1.00 0.00 C ATOM 414 C VAL A 28 -10.523 8.121 -11.632 1.00 0.00 C ATOM 415 O VAL A 28 -10.796 8.658 -12.686 1.00 0.00 O ATOM 416 CB VAL A 28 -12.442 6.594 -12.104 1.00 0.00 C ATOM 417 CG1 VAL A 28 -13.251 7.822 -12.523 1.00 0.00 C ATOM 418 CG2 VAL A 28 -11.738 6.006 -13.328 1.00 0.00 C ATOM 0 H VAL A 28 -13.033 7.834 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.777 6.140 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.111 5.848 -11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.995 7.532 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.753 8.242 -11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.583 8.569 -12.952 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.481 5.716 -14.071 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.069 6.752 -13.756 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.161 5.130 -13.030 1.00 0.00 H new ATOM 428 N GLU A 29 -9.470 8.474 -10.944 1.00 0.00 N ATOM 429 CA GLU A 29 -8.577 9.555 -11.443 1.00 0.00 C ATOM 430 C GLU A 29 -7.696 10.060 -10.299 1.00 0.00 C ATOM 431 O GLU A 29 -6.586 10.505 -10.508 1.00 0.00 O ATOM 432 CB GLU A 29 -9.425 10.711 -11.982 1.00 0.00 C ATOM 433 CG GLU A 29 -9.275 10.787 -13.504 1.00 0.00 C ATOM 434 CD GLU A 29 -9.135 12.250 -13.931 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.301 12.935 -13.362 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.863 12.659 -14.820 1.00 0.00 O ATOM 0 H GLU A 29 -9.191 8.058 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.946 9.164 -12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.472 10.563 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.110 11.650 -11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.401 10.219 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.142 10.337 -13.988 1.00 0.00 H new ATOM 443 N GLN A 30 -8.182 9.993 -9.088 1.00 0.00 N ATOM 444 CA GLN A 30 -7.370 10.469 -7.933 1.00 0.00 C ATOM 445 C GLN A 30 -6.073 9.662 -7.853 1.00 0.00 C ATOM 446 O GLN A 30 -6.017 8.518 -8.260 1.00 0.00 O ATOM 447 CB GLN A 30 -8.166 10.286 -6.639 1.00 0.00 C ATOM 448 CG GLN A 30 -8.284 11.630 -5.917 1.00 0.00 C ATOM 449 CD GLN A 30 -8.045 11.428 -4.420 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.788 11.932 -3.600 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.033 10.706 -4.024 1.00 0.00 N ATOM 0 H GLN A 30 -9.105 9.630 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.133 11.524 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.158 9.893 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.672 9.558 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.558 12.336 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.272 12.059 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.409 10.283 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.866 10.565 -3.028 1.00 0.00 H new ATOM 460 N GLY A 31 -5.030 10.247 -7.329 1.00 0.00 N ATOM 461 CA GLY A 31 -3.738 9.511 -7.223 1.00 0.00 C ATOM 462 C GLY A 31 -3.883 8.362 -6.225 1.00 0.00 C ATOM 463 O GLY A 31 -4.808 8.320 -5.441 1.00 0.00 O ATOM 0 H GLY A 31 -5.017 11.202 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.447 9.123 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.947 10.188 -6.901 1.00 0.00 H new ATOM 467 N LEU A 32 -2.973 7.427 -6.250 1.00 0.00 N ATOM 468 CA LEU A 32 -3.059 6.280 -5.304 1.00 0.00 C ATOM 469 C LEU A 32 -1.748 6.160 -4.525 1.00 0.00 C ATOM 470 O LEU A 32 -1.740 5.870 -3.345 1.00 0.00 O ATOM 471 CB LEU A 32 -3.306 4.989 -6.087 1.00 0.00 C ATOM 472 CG LEU A 32 -4.317 4.122 -5.334 1.00 0.00 C ATOM 473 CD1 LEU A 32 -5.307 3.513 -6.328 1.00 0.00 C ATOM 474 CD2 LEU A 32 -3.579 3.000 -4.600 1.00 0.00 C ATOM 0 H LEU A 32 -2.174 7.408 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.881 6.446 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.681 5.222 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.370 4.445 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.856 4.736 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.027 2.895 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.833 4.311 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.767 2.898 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.298 2.382 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.040 2.386 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.872 3.432 -3.892 1.00 0.00 H new ATOM 486 N VAL A 33 -0.637 6.383 -5.174 1.00 0.00 N ATOM 487 CA VAL A 33 0.670 6.280 -4.465 1.00 0.00 C ATOM 488 C VAL A 33 1.691 7.197 -5.139 1.00 0.00 C ATOM 489 O VAL A 33 1.441 7.756 -6.188 1.00 0.00 O ATOM 490 CB VAL A 33 1.169 4.835 -4.520 1.00 0.00 C ATOM 491 CG1 VAL A 33 0.226 3.937 -3.718 1.00 0.00 C ATOM 492 CG2 VAL A 33 1.205 4.364 -5.975 1.00 0.00 C ATOM 0 H VAL A 33 -0.578 6.631 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 33 0.542 6.581 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 33 2.171 4.781 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.582 2.908 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.199 4.272 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.776 3.991 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.560 3.334 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.203 4.419 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.877 5.003 -6.548 1.00 0.00 H new ATOM 502 N VAL A 34 2.841 7.355 -4.544 1.00 0.00 N ATOM 503 CA VAL A 34 3.881 8.235 -5.150 1.00 0.00 C ATOM 504 C VAL A 34 5.199 7.467 -5.254 1.00 0.00 C ATOM 505 O VAL A 34 5.963 7.397 -4.312 1.00 0.00 O ATOM 506 CB VAL A 34 4.078 9.471 -4.271 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.123 10.388 -4.908 1.00 0.00 C ATOM 508 CG2 VAL A 34 2.752 10.223 -4.143 1.00 0.00 C ATOM 0 H VAL A 34 3.106 6.913 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 34 3.561 8.545 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 34 4.418 9.163 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.264 11.269 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.068 9.853 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.783 10.696 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.892 11.104 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.412 10.531 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.006 9.570 -3.690 1.00 0.00 H new ATOM 518 N LEU A 35 5.471 6.886 -6.390 1.00 0.00 N ATOM 519 CA LEU A 35 6.740 6.122 -6.551 1.00 0.00 C ATOM 520 C LEU A 35 7.840 7.057 -7.057 1.00 0.00 C ATOM 521 O LEU A 35 7.573 8.127 -7.569 1.00 0.00 O ATOM 522 CB LEU A 35 6.529 4.990 -7.559 1.00 0.00 C ATOM 523 CG LEU A 35 5.277 4.197 -7.183 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.168 2.959 -8.074 1.00 0.00 C ATOM 525 CD2 LEU A 35 5.370 3.763 -5.718 1.00 0.00 C ATOM 0 H LEU A 35 4.869 6.907 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 35 7.035 5.703 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.425 5.399 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.398 4.333 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 35 4.396 4.823 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.275 2.395 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.102 3.267 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.049 2.332 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.478 3.198 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.252 3.137 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.447 4.645 -5.082 1.00 0.00 H new ATOM 537 N GLU A 36 9.076 6.663 -6.918 1.00 0.00 N ATOM 538 CA GLU A 36 10.193 7.529 -7.391 1.00 0.00 C ATOM 539 C GLU A 36 10.927 6.834 -8.539 1.00 0.00 C ATOM 540 O GLU A 36 10.780 5.646 -8.754 1.00 0.00 O ATOM 541 CB GLU A 36 11.168 7.779 -6.239 1.00 0.00 C ATOM 542 CG GLU A 36 11.770 9.179 -6.373 1.00 0.00 C ATOM 543 CD GLU A 36 12.881 9.359 -5.337 1.00 0.00 C ATOM 544 OE1 GLU A 36 12.589 9.244 -4.158 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.004 9.610 -5.740 1.00 0.00 O ATOM 0 H GLU A 36 9.361 5.779 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 36 9.792 8.480 -7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.651 7.684 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.959 7.029 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.169 9.320 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.997 9.934 -6.228 1.00 0.00 H new ATOM 552 N SER A 37 11.718 7.563 -9.279 1.00 0.00 N ATOM 553 CA SER A 37 12.460 6.943 -10.412 1.00 0.00 C ATOM 554 C SER A 37 13.910 7.432 -10.401 1.00 0.00 C ATOM 555 O SER A 37 14.320 8.167 -9.525 1.00 0.00 O ATOM 556 CB SER A 37 11.799 7.338 -11.732 1.00 0.00 C ATOM 557 OG SER A 37 12.048 6.330 -12.703 1.00 0.00 O ATOM 0 H SER A 37 11.882 8.561 -9.147 1.00 0.00 H new ATOM 0 HA SER A 37 12.442 5.858 -10.307 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.726 7.465 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.191 8.295 -12.076 1.00 0.00 H new ATOM 0 HG SER A 37 12.074 6.735 -13.595 1.00 0.00 H new ATOM 563 N ALA A 38 14.689 7.029 -11.367 1.00 0.00 N ATOM 564 CA ALA A 38 16.111 7.472 -11.410 1.00 0.00 C ATOM 565 C ALA A 38 16.169 9.001 -11.413 1.00 0.00 C ATOM 566 O ALA A 38 16.960 9.602 -10.712 1.00 0.00 O ATOM 567 CB ALA A 38 16.774 6.934 -12.681 1.00 0.00 C ATOM 0 H ALA A 38 14.403 6.413 -12.128 1.00 0.00 H new ATOM 0 HA ALA A 38 16.637 7.090 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.814 7.257 -12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.733 5.845 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.248 7.316 -13.556 1.00 0.00 H new ATOM 573 N LYS A 39 15.338 9.635 -12.193 1.00 0.00 N ATOM 574 CA LYS A 39 15.347 11.124 -12.239 1.00 0.00 C ATOM 575 C LYS A 39 13.963 11.631 -12.647 1.00 0.00 C ATOM 576 O LYS A 39 13.830 12.466 -13.520 1.00 0.00 O ATOM 577 CB LYS A 39 16.384 11.596 -13.261 1.00 0.00 C ATOM 578 CG LYS A 39 16.213 10.811 -14.563 1.00 0.00 C ATOM 579 CD LYS A 39 17.583 10.360 -15.072 1.00 0.00 C ATOM 580 CE LYS A 39 17.520 10.139 -16.584 1.00 0.00 C ATOM 581 NZ LYS A 39 18.531 11.004 -17.255 1.00 0.00 N ATOM 0 H LYS A 39 14.653 9.186 -12.801 1.00 0.00 H new ATOM 0 HA LYS A 39 15.601 11.516 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.265 12.663 -13.449 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.390 11.452 -12.867 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.572 9.945 -14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.721 11.432 -15.312 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.336 11.112 -14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.883 9.439 -14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.710 9.091 -16.817 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.522 10.373 -16.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.489 10.854 -18.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.330 12.002 -17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.481 10.761 -16.909 1.00 0.00 H new ATOM 595 N ALA A 40 12.931 11.134 -12.023 1.00 0.00 N ATOM 596 CA ALA A 40 11.556 11.588 -12.376 1.00 0.00 C ATOM 597 C ALA A 40 10.543 10.930 -11.436 1.00 0.00 C ATOM 598 O ALA A 40 10.482 9.721 -11.324 1.00 0.00 O ATOM 599 CB ALA A 40 11.244 11.194 -13.821 1.00 0.00 C ATOM 0 H ALA A 40 12.980 10.433 -11.284 1.00 0.00 H new ATOM 0 HA ALA A 40 11.494 12.671 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.238 11.526 -14.080 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.965 11.664 -14.490 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.306 10.111 -13.924 1.00 0.00 H new ATOM 605 N SER A 41 9.749 11.715 -10.761 1.00 0.00 N ATOM 606 CA SER A 41 8.741 11.133 -9.830 1.00 0.00 C ATOM 607 C SER A 41 7.477 10.768 -10.610 1.00 0.00 C ATOM 608 O SER A 41 6.902 11.588 -11.298 1.00 0.00 O ATOM 609 CB SER A 41 8.395 12.157 -8.750 1.00 0.00 C ATOM 610 OG SER A 41 9.522 12.992 -8.515 1.00 0.00 O ATOM 0 H SER A 41 9.754 12.734 -10.814 1.00 0.00 H new ATOM 0 HA SER A 41 9.151 10.237 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.542 12.758 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.106 11.649 -7.830 1.00 0.00 H new ATOM 0 HG SER A 41 9.302 13.651 -7.824 1.00 0.00 H new ATOM 616 N MET A 42 7.039 9.542 -10.509 1.00 0.00 N ATOM 617 CA MET A 42 5.813 9.126 -11.245 1.00 0.00 C ATOM 618 C MET A 42 4.722 8.744 -10.243 1.00 0.00 C ATOM 619 O MET A 42 4.945 7.968 -9.334 1.00 0.00 O ATOM 620 CB MET A 42 6.134 7.924 -12.135 1.00 0.00 C ATOM 621 CG MET A 42 6.893 6.874 -11.319 1.00 0.00 C ATOM 622 SD MET A 42 6.425 5.219 -11.883 1.00 0.00 S ATOM 623 CE MET A 42 4.646 5.375 -11.591 1.00 0.00 C ATOM 0 H MET A 42 7.478 8.811 -9.949 1.00 0.00 H new ATOM 0 HA MET A 42 5.464 9.952 -11.865 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.214 7.496 -12.532 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.733 8.240 -12.989 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.968 7.018 -11.431 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.665 6.987 -10.259 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.268 4.453 -11.149 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.460 6.206 -10.911 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.137 5.560 -12.537 1.00 0.00 H new ATOM 633 N GLU A 43 3.542 9.278 -10.402 1.00 0.00 N ATOM 634 CA GLU A 43 2.439 8.943 -9.459 1.00 0.00 C ATOM 635 C GLU A 43 1.576 7.832 -10.060 1.00 0.00 C ATOM 636 O GLU A 43 1.681 7.515 -11.228 1.00 0.00 O ATOM 637 CB GLU A 43 1.577 10.185 -9.220 1.00 0.00 C ATOM 638 CG GLU A 43 1.239 10.294 -7.731 1.00 0.00 C ATOM 639 CD GLU A 43 0.775 11.716 -7.414 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.433 12.428 -8.345 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.770 12.071 -6.247 1.00 0.00 O ATOM 0 H GLU A 43 3.295 9.932 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 43 2.860 8.605 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.108 11.078 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.661 10.124 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.458 9.579 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.113 10.043 -7.130 1.00 0.00 H new ATOM 648 N VAL A 44 0.723 7.237 -9.271 1.00 0.00 N ATOM 649 CA VAL A 44 -0.143 6.146 -9.798 1.00 0.00 C ATOM 650 C VAL A 44 -1.519 6.219 -9.125 1.00 0.00 C ATOM 651 O VAL A 44 -1.680 5.770 -8.008 1.00 0.00 O ATOM 652 CB VAL A 44 0.501 4.793 -9.491 1.00 0.00 C ATOM 653 CG1 VAL A 44 -0.084 3.726 -10.419 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.012 4.887 -9.712 1.00 0.00 C ATOM 0 H VAL A 44 0.589 7.460 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.257 6.259 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 44 0.300 4.522 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.375 2.762 -10.200 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.161 3.659 -10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.116 3.996 -11.456 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.472 3.923 -9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.212 5.158 -10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.430 5.647 -9.051 1.00 0.00 H new ATOM 664 N PRO A 45 -2.470 6.786 -9.824 1.00 0.00 N ATOM 665 CA PRO A 45 -3.843 6.934 -9.314 1.00 0.00 C ATOM 666 C PRO A 45 -4.596 5.605 -9.418 1.00 0.00 C ATOM 667 O PRO A 45 -4.020 4.573 -9.702 1.00 0.00 O ATOM 668 CB PRO A 45 -4.464 7.980 -10.242 1.00 0.00 C ATOM 669 CG PRO A 45 -3.633 7.949 -11.545 1.00 0.00 C ATOM 670 CD PRO A 45 -2.269 7.331 -11.183 1.00 0.00 C ATOM 0 HA PRO A 45 -3.879 7.227 -8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.511 7.750 -10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.437 8.970 -9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.135 7.358 -12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.508 8.954 -11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.986 6.550 -11.888 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.476 8.078 -11.200 1.00 0.00 H new ATOM 678 N SER A 46 -5.879 5.627 -9.192 1.00 0.00 N ATOM 679 CA SER A 46 -6.673 4.370 -9.278 1.00 0.00 C ATOM 680 C SER A 46 -7.102 4.138 -10.732 1.00 0.00 C ATOM 681 O SER A 46 -7.423 5.075 -11.435 1.00 0.00 O ATOM 682 CB SER A 46 -7.915 4.492 -8.394 1.00 0.00 C ATOM 683 OG SER A 46 -8.868 3.511 -8.784 1.00 0.00 O ATOM 0 H SER A 46 -6.413 6.462 -8.951 1.00 0.00 H new ATOM 0 HA SER A 46 -6.066 3.531 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.645 4.357 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.344 5.490 -8.486 1.00 0.00 H new ATOM 0 HG SER A 46 -9.691 3.954 -9.080 1.00 0.00 H new ATOM 689 N PRO A 47 -7.100 2.893 -11.138 1.00 0.00 N ATOM 690 CA PRO A 47 -7.492 2.506 -12.503 1.00 0.00 C ATOM 691 C PRO A 47 -9.017 2.505 -12.634 1.00 0.00 C ATOM 692 O PRO A 47 -9.562 2.412 -13.715 1.00 0.00 O ATOM 693 CB PRO A 47 -6.927 1.091 -12.653 1.00 0.00 C ATOM 694 CG PRO A 47 -6.752 0.539 -11.217 1.00 0.00 C ATOM 695 CD PRO A 47 -6.707 1.759 -10.278 1.00 0.00 C ATOM 0 HA PRO A 47 -7.120 3.187 -13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.603 0.462 -13.232 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.974 1.107 -13.182 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.577 -0.123 -10.953 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.836 -0.046 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.391 1.640 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.711 1.903 -9.860 1.00 0.00 H new ATOM 703 N LYS A 48 -9.702 2.612 -11.533 1.00 0.00 N ATOM 704 CA LYS A 48 -11.192 2.622 -11.570 1.00 0.00 C ATOM 705 C LYS A 48 -11.722 3.234 -10.270 1.00 0.00 C ATOM 706 O LYS A 48 -11.889 4.432 -10.159 1.00 0.00 O ATOM 707 CB LYS A 48 -11.710 1.190 -11.712 1.00 0.00 C ATOM 708 CG LYS A 48 -12.095 0.927 -13.170 1.00 0.00 C ATOM 709 CD LYS A 48 -11.903 -0.556 -13.490 1.00 0.00 C ATOM 710 CE LYS A 48 -10.464 -0.798 -13.948 1.00 0.00 C ATOM 711 NZ LYS A 48 -10.468 -1.305 -15.350 1.00 0.00 N ATOM 0 H LYS A 48 -9.293 2.694 -10.602 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.535 3.213 -12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.945 0.482 -11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.573 1.039 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.132 1.215 -13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.482 1.535 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.122 -1.160 -12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.600 -0.864 -14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.891 0.127 -13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.978 -1.519 -13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.490 -1.470 -15.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.001 -2.197 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.916 -0.602 -15.972 1.00 0.00 H new ATOM 725 N ALA A 49 -11.982 2.419 -9.284 1.00 0.00 N ATOM 726 CA ALA A 49 -12.493 2.952 -7.990 1.00 0.00 C ATOM 727 C ALA A 49 -11.310 3.388 -7.122 1.00 0.00 C ATOM 728 O ALA A 49 -10.840 4.504 -7.214 1.00 0.00 O ATOM 729 CB ALA A 49 -13.287 1.863 -7.266 1.00 0.00 C ATOM 0 H ALA A 49 -11.862 1.407 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.143 3.807 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.661 2.254 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.127 1.552 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.640 1.007 -7.075 1.00 0.00 H new ATOM 735 N GLY A 50 -10.820 2.514 -6.283 1.00 0.00 N ATOM 736 CA GLY A 50 -9.666 2.882 -5.418 1.00 0.00 C ATOM 737 C GLY A 50 -9.863 2.302 -4.016 1.00 0.00 C ATOM 738 O GLY A 50 -9.586 2.948 -3.026 1.00 0.00 O ATOM 0 H GLY A 50 -11.170 1.564 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.740 2.504 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.572 3.967 -5.363 1.00 0.00 H new ATOM 742 N VAL A 51 -10.340 1.089 -3.919 1.00 0.00 N ATOM 743 CA VAL A 51 -10.548 0.484 -2.574 1.00 0.00 C ATOM 744 C VAL A 51 -9.330 -0.367 -2.207 1.00 0.00 C ATOM 745 O VAL A 51 -9.038 -1.361 -2.844 1.00 0.00 O ATOM 746 CB VAL A 51 -11.808 -0.386 -2.585 1.00 0.00 C ATOM 747 CG1 VAL A 51 -11.535 -1.686 -3.342 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.210 -0.713 -1.144 1.00 0.00 C ATOM 0 H VAL A 51 -10.593 0.495 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.672 1.275 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.615 0.155 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.435 -2.301 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.248 -1.456 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.727 -2.229 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.107 -1.332 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.399 -1.252 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.410 0.212 -0.603 1.00 0.00 H new ATOM 758 N VAL A 52 -8.613 0.019 -1.188 1.00 0.00 N ATOM 759 CA VAL A 52 -7.411 -0.763 -0.782 1.00 0.00 C ATOM 760 C VAL A 52 -7.851 -2.109 -0.202 1.00 0.00 C ATOM 761 O VAL A 52 -8.509 -2.173 0.816 1.00 0.00 O ATOM 762 CB VAL A 52 -6.628 0.022 0.273 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.595 -0.893 0.935 1.00 0.00 C ATOM 764 CG2 VAL A 52 -5.909 1.195 -0.397 1.00 0.00 C ATOM 0 H VAL A 52 -8.807 0.843 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.775 -0.935 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.317 0.397 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.039 -0.331 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.104 -1.731 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.905 -1.270 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.351 1.756 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.222 0.816 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.642 1.850 -0.868 1.00 0.00 H new ATOM 774 N LYS A 53 -7.491 -3.188 -0.843 1.00 0.00 N ATOM 775 CA LYS A 53 -7.888 -4.529 -0.328 1.00 0.00 C ATOM 776 C LYS A 53 -6.660 -5.241 0.244 1.00 0.00 C ATOM 777 O LYS A 53 -6.769 -6.100 1.096 1.00 0.00 O ATOM 778 CB LYS A 53 -8.475 -5.360 -1.470 1.00 0.00 C ATOM 779 CG LYS A 53 -9.423 -6.416 -0.898 1.00 0.00 C ATOM 780 CD LYS A 53 -9.096 -7.780 -1.508 1.00 0.00 C ATOM 781 CE LYS A 53 -9.302 -8.873 -0.458 1.00 0.00 C ATOM 782 NZ LYS A 53 -9.323 -10.205 -1.124 1.00 0.00 N ATOM 0 H LYS A 53 -6.939 -3.198 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.636 -4.410 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.010 -4.714 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.675 -5.841 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.325 -6.458 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.457 -6.147 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.734 -7.966 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.066 -7.793 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.502 -8.837 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.237 -8.707 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.463 -10.948 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.101 -10.236 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.419 -10.362 -1.614 1.00 0.00 H new ATOM 796 N SER A 54 -5.491 -4.892 -0.219 1.00 0.00 N ATOM 797 CA SER A 54 -4.258 -5.551 0.299 1.00 0.00 C ATOM 798 C SER A 54 -3.031 -4.729 -0.104 1.00 0.00 C ATOM 799 O SER A 54 -2.800 -4.472 -1.269 1.00 0.00 O ATOM 800 CB SER A 54 -4.146 -6.957 -0.289 1.00 0.00 C ATOM 801 OG SER A 54 -3.840 -7.878 0.749 1.00 0.00 O ATOM 0 H SER A 54 -5.336 -4.180 -0.933 1.00 0.00 H new ATOM 0 HA SER A 54 -4.310 -5.615 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.081 -7.236 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.370 -6.983 -1.054 1.00 0.00 H new ATOM 0 HG SER A 54 -3.769 -8.781 0.375 1.00 0.00 H new ATOM 807 N VAL A 55 -2.243 -4.316 0.851 1.00 0.00 N ATOM 808 CA VAL A 55 -1.032 -3.513 0.522 1.00 0.00 C ATOM 809 C VAL A 55 0.223 -4.328 0.843 1.00 0.00 C ATOM 810 O VAL A 55 0.320 -4.953 1.879 1.00 0.00 O ATOM 811 CB VAL A 55 -1.030 -2.228 1.354 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.227 -1.416 1.040 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.269 -1.399 1.010 1.00 0.00 C ATOM 0 H VAL A 55 -2.386 -4.500 1.844 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.041 -3.260 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.042 -2.482 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.227 -0.501 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.111 -2.006 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.240 -1.161 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.270 -0.483 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.255 -1.146 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.166 -1.976 1.233 1.00 0.00 H new ATOM 823 N SER A 56 1.184 -4.328 -0.040 1.00 0.00 N ATOM 824 CA SER A 56 2.431 -5.105 0.216 1.00 0.00 C ATOM 825 C SER A 56 3.645 -4.186 0.065 1.00 0.00 C ATOM 826 O SER A 56 4.667 -4.573 -0.465 1.00 0.00 O ATOM 827 CB SER A 56 2.532 -6.250 -0.791 1.00 0.00 C ATOM 828 OG SER A 56 2.619 -7.484 -0.091 1.00 0.00 O ATOM 0 H SER A 56 1.160 -3.824 -0.927 1.00 0.00 H new ATOM 0 HA SER A 56 2.406 -5.510 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.661 -6.251 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.408 -6.116 -1.425 1.00 0.00 H new ATOM 0 HG SER A 56 2.682 -8.221 -0.734 1.00 0.00 H new ATOM 834 N VAL A 57 3.543 -2.971 0.531 1.00 0.00 N ATOM 835 CA VAL A 57 4.693 -2.030 0.415 1.00 0.00 C ATOM 836 C VAL A 57 4.668 -1.046 1.586 1.00 0.00 C ATOM 837 O VAL A 57 3.693 -0.946 2.304 1.00 0.00 O ATOM 838 CB VAL A 57 4.588 -1.257 -0.901 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.708 -2.229 -2.076 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.235 -0.545 -0.966 1.00 0.00 C ATOM 0 H VAL A 57 2.714 -2.590 0.987 1.00 0.00 H new ATOM 0 HA VAL A 57 5.626 -2.593 0.433 1.00 0.00 H new ATOM 0 HB VAL A 57 5.391 -0.521 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.633 -1.678 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.671 -2.738 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.906 -2.965 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.159 0.006 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.433 -1.282 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.148 0.148 -0.129 1.00 0.00 H new ATOM 850 N LYS A 58 5.733 -0.320 1.785 1.00 0.00 N ATOM 851 CA LYS A 58 5.770 0.656 2.911 1.00 0.00 C ATOM 852 C LYS A 58 6.123 2.043 2.372 1.00 0.00 C ATOM 853 O LYS A 58 6.536 2.193 1.239 1.00 0.00 O ATOM 854 CB LYS A 58 6.825 0.219 3.930 1.00 0.00 C ATOM 855 CG LYS A 58 6.365 0.602 5.337 1.00 0.00 C ATOM 856 CD LYS A 58 6.847 -0.451 6.337 1.00 0.00 C ATOM 857 CE LYS A 58 6.104 -0.277 7.662 1.00 0.00 C ATOM 858 NZ LYS A 58 7.046 -0.505 8.794 1.00 0.00 N ATOM 0 H LYS A 58 6.579 -0.360 1.217 1.00 0.00 H new ATOM 0 HA LYS A 58 4.793 0.692 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.982 -0.858 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.780 0.694 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.760 1.582 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.278 0.677 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.673 -1.451 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.921 -0.353 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.680 0.725 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.272 -0.979 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.541 -0.387 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.431 -1.470 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.825 0.182 8.741 1.00 0.00 H new ATOM 872 N LEU A 59 5.966 3.060 3.174 1.00 0.00 N ATOM 873 CA LEU A 59 6.293 4.436 2.706 1.00 0.00 C ATOM 874 C LEU A 59 7.790 4.695 2.889 1.00 0.00 C ATOM 875 O LEU A 59 8.221 5.212 3.900 1.00 0.00 O ATOM 876 CB LEU A 59 5.495 5.457 3.521 1.00 0.00 C ATOM 877 CG LEU A 59 5.679 5.174 5.012 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.083 6.464 5.730 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.363 4.657 5.598 1.00 0.00 C ATOM 0 H LEU A 59 5.625 2.997 4.133 1.00 0.00 H new ATOM 0 HA LEU A 59 6.034 4.531 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.831 6.467 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.439 5.403 3.257 1.00 0.00 H new ATOM 0 HG LEU A 59 6.458 4.423 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.214 6.263 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.019 6.835 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.304 7.214 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.493 4.455 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.585 5.408 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.073 3.739 5.087 1.00 0.00 H new ATOM 891 N GLY A 60 8.587 4.340 1.918 1.00 0.00 N ATOM 892 CA GLY A 60 10.055 4.567 2.037 1.00 0.00 C ATOM 893 C GLY A 60 10.805 3.303 1.613 1.00 0.00 C ATOM 894 O GLY A 60 12.005 3.316 1.426 1.00 0.00 O ATOM 0 H GLY A 60 8.285 3.903 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.355 5.407 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.311 4.827 3.064 1.00 0.00 H new ATOM 898 N ASP A 61 10.107 2.210 1.463 1.00 0.00 N ATOM 899 CA ASP A 61 10.782 0.948 1.051 1.00 0.00 C ATOM 900 C ASP A 61 11.116 1.009 -0.441 1.00 0.00 C ATOM 901 O ASP A 61 10.395 1.595 -1.224 1.00 0.00 O ATOM 902 CB ASP A 61 9.851 -0.238 1.317 1.00 0.00 C ATOM 903 CG ASP A 61 10.062 -0.743 2.745 1.00 0.00 C ATOM 904 OD1 ASP A 61 11.045 -0.349 3.353 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.238 -1.515 3.208 1.00 0.00 O ATOM 0 H ASP A 61 9.100 2.137 1.608 1.00 0.00 H new ATOM 0 HA ASP A 61 11.702 0.825 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.813 0.062 1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.051 -1.038 0.604 1.00 0.00 H new ATOM 910 N LYS A 62 12.202 0.408 -0.842 1.00 0.00 N ATOM 911 CA LYS A 62 12.581 0.432 -2.282 1.00 0.00 C ATOM 912 C LYS A 62 12.293 -0.933 -2.908 1.00 0.00 C ATOM 913 O LYS A 62 12.411 -1.958 -2.265 1.00 0.00 O ATOM 914 CB LYS A 62 14.072 0.751 -2.413 1.00 0.00 C ATOM 915 CG LYS A 62 14.876 -0.189 -1.512 1.00 0.00 C ATOM 916 CD LYS A 62 16.343 -0.177 -1.942 1.00 0.00 C ATOM 917 CE LYS A 62 16.475 -0.806 -3.330 1.00 0.00 C ATOM 918 NZ LYS A 62 17.231 -2.086 -3.226 1.00 0.00 N ATOM 0 H LYS A 62 12.844 -0.099 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 62 12.000 1.197 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.389 0.638 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.259 1.788 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.788 0.124 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.476 -1.201 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.720 0.846 -1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.948 -0.729 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.487 -0.988 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.990 -0.121 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.321 -2.514 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.178 -1.899 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.722 -2.739 -2.597 1.00 0.00 H new ATOM 932 N LEU A 63 11.917 -0.957 -4.158 1.00 0.00 N ATOM 933 CA LEU A 63 11.623 -2.258 -4.822 1.00 0.00 C ATOM 934 C LEU A 63 12.134 -2.222 -6.263 1.00 0.00 C ATOM 935 O LEU A 63 12.659 -1.226 -6.722 1.00 0.00 O ATOM 936 CB LEU A 63 10.112 -2.500 -4.822 1.00 0.00 C ATOM 937 CG LEU A 63 9.618 -2.649 -3.382 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.148 -2.236 -3.301 1.00 0.00 C ATOM 939 CD2 LEU A 63 9.763 -4.107 -2.944 1.00 0.00 C ATOM 0 H LEU A 63 11.801 -0.132 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 63 12.120 -3.063 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.600 -1.670 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.877 -3.398 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 63 10.210 -2.011 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.796 -2.342 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.044 -1.197 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.554 -2.874 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.411 -4.215 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.170 -4.745 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.811 -4.402 -3.002 1.00 0.00 H new ATOM 951 N LYS A 64 11.985 -3.300 -6.983 1.00 0.00 N ATOM 952 CA LYS A 64 12.461 -3.326 -8.394 1.00 0.00 C ATOM 953 C LYS A 64 11.276 -3.570 -9.329 1.00 0.00 C ATOM 954 O LYS A 64 10.317 -4.226 -8.972 1.00 0.00 O ATOM 955 CB LYS A 64 13.486 -4.450 -8.565 1.00 0.00 C ATOM 956 CG LYS A 64 13.982 -4.473 -10.013 1.00 0.00 C ATOM 957 CD LYS A 64 15.469 -4.832 -10.037 1.00 0.00 C ATOM 958 CE LYS A 64 15.973 -4.822 -11.481 1.00 0.00 C ATOM 959 NZ LYS A 64 16.836 -3.626 -11.699 1.00 0.00 N ATOM 0 H LYS A 64 11.554 -4.164 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 64 12.924 -2.370 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.324 -4.299 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.036 -5.409 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.412 -5.199 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.824 -3.500 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.036 -4.119 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.624 -5.816 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.536 -5.732 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.130 -4.806 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.179 -3.619 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.285 -2.763 -11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.648 -3.660 -11.049 1.00 0.00 H new ATOM 973 N GLU A 65 11.333 -3.045 -10.523 1.00 0.00 N ATOM 974 CA GLU A 65 10.211 -3.242 -11.483 1.00 0.00 C ATOM 975 C GLU A 65 9.736 -4.695 -11.427 1.00 0.00 C ATOM 976 O GLU A 65 10.499 -5.597 -11.144 1.00 0.00 O ATOM 977 CB GLU A 65 10.690 -2.915 -12.898 1.00 0.00 C ATOM 978 CG GLU A 65 11.931 -3.749 -13.223 1.00 0.00 C ATOM 979 CD GLU A 65 13.020 -2.842 -13.799 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.958 -1.648 -13.558 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.898 -3.357 -14.472 1.00 0.00 O ATOM 0 H GLU A 65 12.111 -2.487 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 65 9.385 -2.582 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.899 -3.125 -13.618 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.921 -1.853 -12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.295 -4.245 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.679 -4.532 -13.939 1.00 0.00 H new ATOM 988 N GLY A 66 8.481 -4.929 -11.696 1.00 0.00 N ATOM 989 CA GLY A 66 7.958 -6.324 -11.660 1.00 0.00 C ATOM 990 C GLY A 66 7.503 -6.664 -10.240 1.00 0.00 C ATOM 991 O GLY A 66 6.799 -7.628 -10.017 1.00 0.00 O ATOM 0 H GLY A 66 7.795 -4.214 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.125 -6.429 -12.355 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.731 -7.022 -11.982 1.00 0.00 H new ATOM 995 N ASP A 67 7.903 -5.879 -9.275 1.00 0.00 N ATOM 996 CA ASP A 67 7.492 -6.159 -7.871 1.00 0.00 C ATOM 997 C ASP A 67 6.090 -5.599 -7.627 1.00 0.00 C ATOM 998 O ASP A 67 5.796 -4.468 -7.962 1.00 0.00 O ATOM 999 CB ASP A 67 8.481 -5.494 -6.910 1.00 0.00 C ATOM 1000 CG ASP A 67 9.760 -6.330 -6.833 1.00 0.00 C ATOM 1001 OD1 ASP A 67 10.013 -7.076 -7.765 1.00 0.00 O ATOM 1002 OD2 ASP A 67 10.464 -6.211 -5.844 1.00 0.00 O ATOM 0 H ASP A 67 8.495 -5.058 -9.399 1.00 0.00 H new ATOM 0 HA ASP A 67 7.486 -7.236 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.713 -4.485 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.035 -5.401 -5.920 1.00 0.00 H new ATOM 1007 N ALA A 68 5.221 -6.379 -7.045 1.00 0.00 N ATOM 1008 CA ALA A 68 3.839 -5.890 -6.780 1.00 0.00 C ATOM 1009 C ALA A 68 3.893 -4.720 -5.794 1.00 0.00 C ATOM 1010 O ALA A 68 4.872 -4.526 -5.101 1.00 0.00 O ATOM 1011 CB ALA A 68 3.002 -7.022 -6.182 1.00 0.00 C ATOM 0 H ALA A 68 5.409 -7.335 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 68 3.386 -5.558 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.991 -6.664 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.963 -7.856 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.454 -7.355 -5.248 1.00 0.00 H new ATOM 1017 N ILE A 69 2.850 -3.939 -5.727 1.00 0.00 N ATOM 1018 CA ILE A 69 2.846 -2.783 -4.786 1.00 0.00 C ATOM 1019 C ILE A 69 1.583 -2.831 -3.922 1.00 0.00 C ATOM 1020 O ILE A 69 1.650 -2.908 -2.712 1.00 0.00 O ATOM 1021 CB ILE A 69 2.868 -1.477 -5.583 1.00 0.00 C ATOM 1022 CG1 ILE A 69 4.071 -1.479 -6.529 1.00 0.00 C ATOM 1023 CG2 ILE A 69 2.981 -0.294 -4.620 1.00 0.00 C ATOM 1024 CD1 ILE A 69 5.364 -1.526 -5.714 1.00 0.00 C ATOM 0 H ILE A 69 2.002 -4.051 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 69 3.726 -2.834 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 69 1.949 -1.388 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.019 -2.338 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.056 -0.587 -7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.997 0.637 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.126 -0.292 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.901 -0.382 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.220 -1.527 -6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.416 -0.653 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.379 -2.431 -5.107 1.00 0.00 H new ATOM 1036 N ILE A 70 0.431 -2.786 -4.535 1.00 0.00 N ATOM 1037 CA ILE A 70 -0.833 -2.827 -3.748 1.00 0.00 C ATOM 1038 C ILE A 70 -1.868 -3.675 -4.488 1.00 0.00 C ATOM 1039 O ILE A 70 -1.569 -4.317 -5.475 1.00 0.00 O ATOM 1040 CB ILE A 70 -1.369 -1.405 -3.573 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -1.152 -0.617 -4.867 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -0.625 -0.716 -2.428 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -1.730 0.790 -4.711 1.00 0.00 C ATOM 0 H ILE A 70 0.311 -2.723 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.638 -3.266 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.434 -1.444 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.088 -0.561 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.632 -1.128 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.007 0.297 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.777 -1.277 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.440 -0.677 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.575 1.351 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.798 0.724 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.230 1.300 -3.888 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.086 -3.685 -4.018 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.138 -4.493 -4.697 1.00 0.00 C ATOM 1057 C GLU A 71 -5.485 -3.775 -4.591 1.00 0.00 C ATOM 1058 O GLU A 71 -6.077 -3.696 -3.532 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.239 -5.865 -4.025 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.804 -6.950 -5.012 1.00 0.00 C ATOM 1061 CD GLU A 71 -4.299 -8.312 -4.523 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -3.832 -8.755 -3.486 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -5.139 -8.892 -5.194 1.00 0.00 O ATOM 0 H GLU A 71 -3.397 -3.169 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.876 -4.619 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.609 -5.894 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.262 -6.046 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.207 -6.739 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.718 -6.958 -5.105 1.00 0.00 H new ATOM 1070 N LEU A 72 -5.978 -3.252 -5.682 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.287 -2.544 -5.643 1.00 0.00 C ATOM 1072 C LEU A 72 -8.412 -3.545 -5.918 1.00 0.00 C ATOM 1073 O LEU A 72 -8.257 -4.472 -6.687 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.302 -1.442 -6.711 1.00 0.00 C ATOM 1075 CG LEU A 72 -8.740 -0.981 -6.961 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -8.733 0.461 -7.471 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.390 -1.888 -8.008 1.00 0.00 C ATOM 0 H LEU A 72 -5.530 -3.285 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.434 -2.096 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.692 -0.599 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.864 -1.814 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.305 -1.034 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.757 0.789 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.269 1.108 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.168 0.515 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.414 -1.561 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.824 -1.834 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.395 -2.916 -7.646 1.00 0.00 H new ATOM 1089 N GLU A 73 -9.544 -3.363 -5.296 1.00 0.00 N ATOM 1090 CA GLU A 73 -10.678 -4.302 -5.522 1.00 0.00 C ATOM 1091 C GLU A 73 -11.740 -3.621 -6.391 1.00 0.00 C ATOM 1092 O GLU A 73 -11.938 -2.426 -6.299 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.294 -4.692 -4.176 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.128 -6.197 -3.954 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.042 -6.648 -2.813 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -12.581 -5.788 -2.137 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -12.187 -7.846 -2.635 1.00 0.00 O ATOM 0 H GLU A 73 -9.733 -2.604 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.313 -5.196 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.811 -4.140 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.351 -4.425 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.374 -6.739 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.090 -6.428 -3.716 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.390 -4.406 -7.213 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.441 -3.911 -8.118 1.00 0.00 C ATOM 1106 C PRO A 74 -14.751 -3.701 -7.352 1.00 0.00 C ATOM 1107 O PRO A 74 -15.611 -2.948 -7.768 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.586 -5.035 -9.147 1.00 0.00 C ATOM 1109 CG PRO A 74 -13.047 -6.318 -8.470 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.138 -5.857 -7.315 1.00 0.00 C ATOM 0 HA PRO A 74 -13.198 -2.951 -8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.628 -5.160 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.023 -4.808 -10.053 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.866 -6.933 -8.097 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.490 -6.927 -9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.384 -6.370 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.089 -6.065 -7.526 1.00 0.00 H new