USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 GLN : amide:sc= -7.82! C(o=-9.1!,f=-13!) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -1.32! USER MOD Single : A 9 SER OG : rot -152:sc= -1.02 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.316 USER MOD Single : A 26 HIS : no HE2:sc= -18.4! C(o=-18!,f=-22!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -25:sc= 0.303 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 76:sc= -4.38! USER MOD Single : A 92 SER OG : rot -170:sc= -0.308 USER MOD Single : A 93 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.7!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.755 17.081 -4.813 1.00 0.00 N ATOM 67 CA LEU A 8 4.105 16.097 -3.964 1.00 0.00 C ATOM 68 C LEU A 8 5.118 15.019 -3.573 1.00 0.00 C ATOM 69 O LEU A 8 5.668 14.336 -4.436 1.00 0.00 O ATOM 70 CB LEU A 8 2.852 15.544 -4.647 1.00 0.00 C ATOM 71 CG LEU A 8 2.113 14.435 -3.895 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.534 14.957 -2.578 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.040 13.796 -4.778 1.00 0.00 C ATOM 0 HA LEU A 8 3.759 16.560 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.158 16.368 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.135 15.164 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 8 2.832 13.655 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.014 14.149 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.342 15.328 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.833 15.766 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.530 13.011 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.318 14.555 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.507 13.366 -5.664 1.00 0.00 H new ATOM 85 N SER A 9 5.334 14.900 -2.271 1.00 0.00 N ATOM 86 CA SER A 9 6.272 13.916 -1.755 1.00 0.00 C ATOM 87 C SER A 9 5.577 12.562 -1.602 1.00 0.00 C ATOM 88 O SER A 9 4.379 12.502 -1.331 1.00 0.00 O ATOM 89 CB SER A 9 6.860 14.366 -0.416 1.00 0.00 C ATOM 90 OG SER A 9 8.122 15.009 -0.577 1.00 0.00 O ATOM 0 H SER A 9 4.876 15.468 -1.558 1.00 0.00 H new ATOM 0 HA SER A 9 7.092 13.818 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.165 15.048 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.974 13.502 0.239 1.00 0.00 H new ATOM 0 HG SER A 9 8.658 14.886 0.234 1.00 0.00 H new ATOM 96 N PRO A 10 6.381 11.480 -1.785 1.00 0.00 N ATOM 97 CA PRO A 10 5.856 10.130 -1.670 1.00 0.00 C ATOM 98 C PRO A 10 5.627 9.754 -0.205 1.00 0.00 C ATOM 99 O PRO A 10 6.098 10.444 0.698 1.00 0.00 O ATOM 100 CB PRO A 10 6.886 9.248 -2.355 1.00 0.00 C ATOM 101 CG PRO A 10 8.164 10.069 -2.418 1.00 0.00 C ATOM 102 CD PRO A 10 7.804 11.513 -2.107 1.00 0.00 C ATOM 0 HA PRO A 10 4.879 10.017 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.042 8.325 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.555 8.964 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.894 9.694 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.619 9.993 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.390 11.896 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.002 12.163 -2.960 1.00 0.00 H new ATOM 110 N PRO A 11 4.885 8.632 -0.009 1.00 0.00 N ATOM 111 CA PRO A 11 4.587 8.156 1.332 1.00 0.00 C ATOM 112 C PRO A 11 5.815 7.496 1.964 1.00 0.00 C ATOM 113 O PRO A 11 6.788 7.198 1.274 1.00 0.00 O ATOM 114 CB PRO A 11 3.421 7.197 1.159 1.00 0.00 C ATOM 115 CG PRO A 11 3.409 6.815 -0.312 1.00 0.00 C ATOM 116 CD PRO A 11 4.311 7.789 -1.054 1.00 0.00 C ATOM 0 HA PRO A 11 4.324 8.963 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.543 6.317 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.482 7.669 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.762 5.792 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.395 6.856 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.088 7.264 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.747 8.381 -1.775 1.00 0.00 H new ATOM 124 N ARG A 12 5.728 7.288 3.270 1.00 0.00 N ATOM 125 CA ARG A 12 6.819 6.669 4.003 1.00 0.00 C ATOM 126 C ARG A 12 6.271 5.712 5.063 1.00 0.00 C ATOM 127 O ARG A 12 5.059 5.546 5.188 1.00 0.00 O ATOM 128 CB ARG A 12 7.694 7.725 4.683 1.00 0.00 C ATOM 129 CG ARG A 12 7.428 9.115 4.101 1.00 0.00 C ATOM 130 CD ARG A 12 8.278 10.175 4.804 1.00 0.00 C ATOM 131 NE ARG A 12 7.663 10.540 6.099 1.00 0.00 N ATOM 132 CZ ARG A 12 7.907 9.904 7.253 1.00 0.00 C ATOM 133 NH1 ARG A 12 8.756 8.867 7.279 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.304 10.304 8.380 1.00 0.00 N ATOM 0 H ARG A 12 4.919 7.537 3.839 1.00 0.00 H new ATOM 0 HA ARG A 12 7.427 6.115 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.496 7.732 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.746 7.468 4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.650 9.115 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.372 9.362 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.287 9.795 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.367 11.059 4.172 1.00 0.00 H new ATOM 0 HE ARG A 12 7.012 11.325 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.216 8.563 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.942 8.382 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.658 11.093 8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.490 9.819 9.258 1.00 0.00 H new ATOM 148 N GLY A 13 7.191 5.106 5.800 1.00 0.00 N ATOM 149 CA GLY A 13 6.815 4.170 6.845 1.00 0.00 C ATOM 150 C GLY A 13 5.827 3.127 6.317 1.00 0.00 C ATOM 151 O GLY A 13 4.935 2.689 7.042 1.00 0.00 O ATOM 0 H GLY A 13 8.196 5.245 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.705 3.672 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.368 4.711 7.679 1.00 0.00 H new ATOM 155 N LEU A 14 6.021 2.758 5.059 1.00 0.00 N ATOM 156 CA LEU A 14 5.159 1.775 4.426 1.00 0.00 C ATOM 157 C LEU A 14 5.598 0.371 4.848 1.00 0.00 C ATOM 158 O LEU A 14 6.702 -0.062 4.521 1.00 0.00 O ATOM 159 CB LEU A 14 5.133 1.981 2.911 1.00 0.00 C ATOM 160 CG LEU A 14 4.226 1.037 2.120 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.972 -0.239 1.726 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.942 0.733 2.895 1.00 0.00 C ATOM 0 H LEU A 14 6.763 3.122 4.461 1.00 0.00 H new ATOM 0 HA LEU A 14 4.129 1.901 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.821 3.006 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.150 1.877 2.533 1.00 0.00 H new ATOM 0 HG LEU A 14 3.935 1.538 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.304 -0.892 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.832 0.018 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.312 -0.754 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.315 0.060 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.193 0.261 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.402 1.661 3.082 1.00 0.00 H new ATOM 174 N VAL A 15 4.711 -0.300 5.568 1.00 0.00 N ATOM 175 CA VAL A 15 4.993 -1.646 6.037 1.00 0.00 C ATOM 176 C VAL A 15 3.721 -2.491 5.947 1.00 0.00 C ATOM 177 O VAL A 15 2.632 -1.958 5.739 1.00 0.00 O ATOM 178 CB VAL A 15 5.578 -1.595 7.451 1.00 0.00 C ATOM 179 CG1 VAL A 15 7.069 -1.256 7.415 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.810 -0.603 8.326 1.00 0.00 C ATOM 0 H VAL A 15 3.797 0.063 5.838 1.00 0.00 H new ATOM 0 HA VAL A 15 5.743 -2.121 5.405 1.00 0.00 H new ATOM 0 HB VAL A 15 5.471 -2.585 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.460 -1.226 8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.601 -2.017 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.210 -0.283 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.246 -0.586 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.871 0.393 7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.765 -0.908 8.391 1.00 0.00 H new ATOM 190 N ALA A 16 3.901 -3.793 6.108 1.00 0.00 N ATOM 191 CA ALA A 16 2.780 -4.717 6.047 1.00 0.00 C ATOM 192 C ALA A 16 2.856 -5.682 7.232 1.00 0.00 C ATOM 193 O ALA A 16 3.851 -6.385 7.402 1.00 0.00 O ATOM 194 CB ALA A 16 2.790 -5.443 4.701 1.00 0.00 C ATOM 0 H ALA A 16 4.806 -4.231 6.281 1.00 0.00 H new ATOM 0 HA ALA A 16 1.834 -4.180 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.950 -6.136 4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.705 -4.715 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.723 -5.996 4.593 1.00 0.00 H new ATOM 200 N VAL A 17 1.791 -5.686 8.020 1.00 0.00 N ATOM 201 CA VAL A 17 1.724 -6.553 9.184 1.00 0.00 C ATOM 202 C VAL A 17 0.646 -7.616 8.962 1.00 0.00 C ATOM 203 O VAL A 17 -0.531 -7.289 8.816 1.00 0.00 O ATOM 204 CB VAL A 17 1.492 -5.720 10.446 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.592 -4.518 10.150 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.909 -6.578 11.570 1.00 0.00 C ATOM 0 H VAL A 17 0.967 -5.102 7.875 1.00 0.00 H new ATOM 0 HA VAL A 17 2.670 -7.075 9.326 1.00 0.00 H new ATOM 0 HB VAL A 17 2.458 -5.342 10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.442 -3.942 11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.063 -3.887 9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.372 -4.868 9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.754 -5.961 12.455 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.044 -6.999 11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.601 -7.386 11.807 1.00 0.00 H new ATOM 216 N ARG A 18 1.086 -8.865 8.942 1.00 0.00 N ATOM 217 CA ARG A 18 0.173 -9.977 8.740 1.00 0.00 C ATOM 218 C ARG A 18 -0.727 -10.154 9.965 1.00 0.00 C ATOM 219 O ARG A 18 -0.239 -10.251 11.090 1.00 0.00 O ATOM 220 CB ARG A 18 0.937 -11.278 8.485 1.00 0.00 C ATOM 221 CG ARG A 18 0.161 -12.192 7.534 1.00 0.00 C ATOM 222 CD ARG A 18 -0.219 -13.504 8.224 1.00 0.00 C ATOM 223 NE ARG A 18 1.002 -14.255 8.591 1.00 0.00 N ATOM 224 CZ ARG A 18 1.053 -15.179 9.560 1.00 0.00 C ATOM 225 NH1 ARG A 18 -0.048 -15.472 10.265 1.00 0.00 N ATOM 226 NH2 ARG A 18 2.205 -15.811 9.824 1.00 0.00 N ATOM 0 H ARG A 18 2.063 -9.132 9.062 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.437 -9.750 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.915 -11.052 8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.110 -11.793 9.430 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.740 -11.684 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.766 -12.403 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.811 -13.297 9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.841 -14.106 7.561 1.00 0.00 H new ATOM 0 HE ARG A 18 1.859 -14.057 8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.925 -14.992 10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.009 -16.175 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.043 -15.589 9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.243 -16.514 10.562 1.00 0.00 H new ATOM 240 N THR A 19 -2.026 -10.192 9.705 1.00 0.00 N ATOM 241 CA THR A 19 -2.998 -10.356 10.771 1.00 0.00 C ATOM 242 C THR A 19 -3.997 -11.460 10.418 1.00 0.00 C ATOM 243 O THR A 19 -4.053 -11.908 9.273 1.00 0.00 O ATOM 244 CB THR A 19 -3.657 -8.998 11.024 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.713 -8.942 10.069 1.00 0.00 O ATOM 246 CG2 THR A 19 -2.749 -7.827 10.644 1.00 0.00 C ATOM 0 H THR A 19 -2.427 -10.112 8.771 1.00 0.00 H new ATOM 0 HA THR A 19 -2.519 -10.678 11.696 1.00 0.00 H new ATOM 0 HB THR A 19 -3.932 -8.918 12.076 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.195 -8.094 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.264 -6.887 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.833 -7.871 11.233 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.502 -7.888 9.584 1.00 0.00 H new ATOM 254 N PRO A 20 -4.781 -11.877 11.448 1.00 0.00 N ATOM 255 CA PRO A 20 -5.775 -12.920 11.257 1.00 0.00 C ATOM 256 C PRO A 20 -6.993 -12.385 10.501 1.00 0.00 C ATOM 257 O PRO A 20 -7.946 -13.121 10.251 1.00 0.00 O ATOM 258 CB PRO A 20 -6.111 -13.404 12.658 1.00 0.00 C ATOM 259 CG PRO A 20 -5.645 -12.307 13.601 1.00 0.00 C ATOM 260 CD PRO A 20 -4.742 -11.369 12.816 1.00 0.00 C ATOM 0 HA PRO A 20 -5.409 -13.743 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.181 -13.581 12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.609 -14.346 12.877 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.499 -11.764 14.006 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.108 -12.734 14.448 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.099 -10.340 12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.726 -11.374 13.212 1.00 0.00 H new ATOM 268 N ARG A 21 -6.922 -11.107 10.158 1.00 0.00 N ATOM 269 CA ARG A 21 -8.007 -10.465 9.435 1.00 0.00 C ATOM 270 C ARG A 21 -7.542 -10.049 8.038 1.00 0.00 C ATOM 271 O ARG A 21 -8.359 -9.715 7.182 1.00 0.00 O ATOM 272 CB ARG A 21 -8.513 -9.230 10.185 1.00 0.00 C ATOM 273 CG ARG A 21 -9.054 -9.610 11.564 1.00 0.00 C ATOM 274 CD ARG A 21 -10.555 -9.326 11.661 1.00 0.00 C ATOM 275 NE ARG A 21 -11.229 -10.414 12.405 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.555 -10.494 12.581 1.00 0.00 C ATOM 277 NH1 ARG A 21 -13.357 -9.552 12.068 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.078 -11.517 13.270 1.00 0.00 N ATOM 0 H ARG A 21 -6.130 -10.499 10.367 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.821 -11.185 9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.703 -8.509 10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.297 -8.743 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.867 -10.667 11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.524 -9.050 12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.721 -8.373 12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.982 -9.238 10.662 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.648 -11.149 12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.958 -8.773 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.366 -9.613 12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.467 -12.234 13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.087 -11.578 13.404 1.00 0.00 H new ATOM 292 N GLY A 22 -6.230 -10.084 7.851 1.00 0.00 N ATOM 293 CA GLY A 22 -5.647 -9.715 6.573 1.00 0.00 C ATOM 294 C GLY A 22 -4.256 -9.106 6.760 1.00 0.00 C ATOM 295 O GLY A 22 -3.446 -9.622 7.529 1.00 0.00 O ATOM 0 H GLY A 22 -5.555 -10.362 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.580 -10.594 5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.296 -9.000 6.066 1.00 0.00 H new ATOM 299 N VAL A 23 -4.021 -8.016 6.045 1.00 0.00 N ATOM 300 CA VAL A 23 -2.742 -7.330 6.123 1.00 0.00 C ATOM 301 C VAL A 23 -2.983 -5.832 6.320 1.00 0.00 C ATOM 302 O VAL A 23 -3.657 -5.196 5.512 1.00 0.00 O ATOM 303 CB VAL A 23 -1.905 -7.643 4.881 1.00 0.00 C ATOM 304 CG1 VAL A 23 -0.886 -6.533 4.613 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.213 -9.001 5.014 1.00 0.00 C ATOM 0 H VAL A 23 -4.695 -7.590 5.408 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.170 -7.683 6.982 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.580 -7.693 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.304 -6.780 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.409 -5.590 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.218 -6.437 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.625 -9.199 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.557 -8.991 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.964 -9.782 5.135 1.00 0.00 H new ATOM 315 N LEU A 24 -2.417 -5.312 7.399 1.00 0.00 N ATOM 316 CA LEU A 24 -2.561 -3.901 7.713 1.00 0.00 C ATOM 317 C LEU A 24 -1.331 -3.143 7.210 1.00 0.00 C ATOM 318 O LEU A 24 -0.271 -3.190 7.833 1.00 0.00 O ATOM 319 CB LEU A 24 -2.834 -3.709 9.206 1.00 0.00 C ATOM 320 CG LEU A 24 -3.465 -2.374 9.607 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.497 -1.922 8.572 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.059 -2.448 11.015 1.00 0.00 C ATOM 0 H LEU A 24 -1.858 -5.843 8.067 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.426 -3.483 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.489 -4.513 9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.893 -3.819 9.744 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.679 -1.619 9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.930 -0.971 8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.012 -1.802 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.285 -2.671 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.501 -1.486 11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.828 -3.220 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.272 -2.691 11.729 1.00 0.00 H new ATOM 334 N LEU A 25 -1.513 -2.460 6.089 1.00 0.00 N ATOM 335 CA LEU A 25 -0.431 -1.693 5.496 1.00 0.00 C ATOM 336 C LEU A 25 -0.314 -0.347 6.213 1.00 0.00 C ATOM 337 O LEU A 25 -1.188 0.509 6.082 1.00 0.00 O ATOM 338 CB LEU A 25 -0.629 -1.569 3.984 1.00 0.00 C ATOM 339 CG LEU A 25 -0.225 -2.789 3.153 1.00 0.00 C ATOM 340 CD1 LEU A 25 0.440 -3.853 4.028 1.00 0.00 C ATOM 341 CD2 LEU A 25 -1.423 -3.348 2.382 1.00 0.00 C ATOM 0 H LEU A 25 -2.394 -2.422 5.576 1.00 0.00 H new ATOM 0 HA LEU A 25 0.520 -2.209 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.680 -1.355 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.059 -0.709 3.632 1.00 0.00 H new ATOM 0 HG LEU A 25 0.513 -2.471 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.717 -4.709 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.333 -3.436 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.256 -4.174 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.109 -4.214 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.201 -3.646 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.814 -2.582 1.712 1.00 0.00 H new ATOM 353 N HIS A 26 0.774 -0.201 6.956 1.00 0.00 N ATOM 354 CA HIS A 26 1.017 1.027 7.694 1.00 0.00 C ATOM 355 C HIS A 26 1.978 1.918 6.904 1.00 0.00 C ATOM 356 O HIS A 26 3.072 1.489 6.540 1.00 0.00 O ATOM 357 CB HIS A 26 1.518 0.721 9.107 1.00 0.00 C ATOM 358 CG HIS A 26 0.795 -0.421 9.781 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.145 -0.894 11.033 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.261 -1.177 9.364 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.330 -1.891 11.346 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.540 -2.065 10.310 1.00 0.00 N ATOM 0 H HIS A 26 1.497 -0.913 7.063 1.00 0.00 H new ATOM 0 HA HIS A 26 0.083 1.576 7.813 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.582 0.488 9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.414 1.616 9.720 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.902 -0.536 11.616 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.782 -1.071 8.424 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.351 -2.465 12.261 1.00 0.00 H new ATOM 370 N TRP A 27 1.534 3.143 6.663 1.00 0.00 N ATOM 371 CA TRP A 27 2.341 4.099 5.924 1.00 0.00 C ATOM 372 C TRP A 27 2.259 5.446 6.645 1.00 0.00 C ATOM 373 O TRP A 27 1.569 5.571 7.656 1.00 0.00 O ATOM 374 CB TRP A 27 1.897 4.177 4.462 1.00 0.00 C ATOM 375 CG TRP A 27 0.474 4.706 4.271 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.060 5.981 4.277 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.713 3.918 4.043 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.301 6.071 4.071 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.786 4.777 3.924 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.875 2.525 3.940 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.097 4.340 3.697 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.191 2.104 3.713 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.282 2.956 3.591 1.00 0.00 C ATOM 0 H TRP A 27 0.626 3.495 6.966 1.00 0.00 H new ATOM 0 HA TRP A 27 3.384 3.782 5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.589 4.819 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.967 3.184 4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.710 6.831 4.425 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.850 6.930 4.033 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.050 1.834 4.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.921 5.033 3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.371 1.043 3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.268 2.553 3.415 1.00 0.00 H new ATOM 394 N ASP A 28 2.972 6.419 6.098 1.00 0.00 N ATOM 395 CA ASP A 28 2.988 7.751 6.677 1.00 0.00 C ATOM 396 C ASP A 28 2.582 8.771 5.611 1.00 0.00 C ATOM 397 O ASP A 28 2.782 8.541 4.419 1.00 0.00 O ATOM 398 CB ASP A 28 4.388 8.119 7.174 1.00 0.00 C ATOM 399 CG ASP A 28 4.537 8.185 8.695 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.601 8.712 9.335 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.584 7.708 9.184 1.00 0.00 O ATOM 0 H ASP A 28 3.543 6.311 5.260 1.00 0.00 H new ATOM 0 HA ASP A 28 2.293 7.762 7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.099 7.389 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.663 9.087 6.755 1.00 0.00 H new ATOM 406 N PRO A 29 2.005 9.905 6.091 1.00 0.00 N ATOM 407 CA PRO A 29 1.570 10.961 5.192 1.00 0.00 C ATOM 408 C PRO A 29 2.764 11.754 4.658 1.00 0.00 C ATOM 409 O PRO A 29 3.799 11.844 5.317 1.00 0.00 O ATOM 410 CB PRO A 29 0.615 11.809 6.016 1.00 0.00 C ATOM 411 CG PRO A 29 0.907 11.474 7.470 1.00 0.00 C ATOM 412 CD PRO A 29 1.753 10.212 7.496 1.00 0.00 C ATOM 0 HA PRO A 29 1.074 10.577 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.768 12.870 5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.422 11.586 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.434 12.297 7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.021 11.323 8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.684 10.371 8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.230 9.395 7.992 1.00 0.00 H new ATOM 420 N PRO A 30 2.576 12.322 3.437 1.00 0.00 N ATOM 421 CA PRO A 30 3.626 13.104 2.806 1.00 0.00 C ATOM 422 C PRO A 30 3.756 14.479 3.465 1.00 0.00 C ATOM 423 O PRO A 30 2.831 15.287 3.411 1.00 0.00 O ATOM 424 CB PRO A 30 3.231 13.183 1.340 1.00 0.00 C ATOM 425 CG PRO A 30 1.750 12.844 1.289 1.00 0.00 C ATOM 426 CD PRO A 30 1.364 12.236 2.627 1.00 0.00 C ATOM 0 HA PRO A 30 4.611 12.651 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.418 14.179 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.813 12.483 0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.160 13.739 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.546 12.144 0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.541 12.782 3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.037 11.203 2.513 1.00 0.00 H new ATOM 434 N GLU A 31 4.913 14.702 4.070 1.00 0.00 N ATOM 435 CA GLU A 31 5.177 15.965 4.739 1.00 0.00 C ATOM 436 C GLU A 31 5.388 17.077 3.709 1.00 0.00 C ATOM 437 O GLU A 31 5.442 18.254 4.063 1.00 0.00 O ATOM 438 CB GLU A 31 6.382 15.849 5.675 1.00 0.00 C ATOM 439 CG GLU A 31 6.641 17.171 6.400 1.00 0.00 C ATOM 440 CD GLU A 31 6.983 16.930 7.872 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.070 16.364 8.117 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.149 17.318 8.719 1.00 0.00 O ATOM 0 H GLU A 31 5.679 14.029 4.111 1.00 0.00 H new ATOM 0 HA GLU A 31 4.309 16.220 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.206 15.058 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.265 15.564 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.460 17.702 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.760 17.809 6.327 1.00 0.00 H new ATOM 449 N LEU A 32 5.502 16.664 2.455 1.00 0.00 N ATOM 450 CA LEU A 32 5.706 17.610 1.371 1.00 0.00 C ATOM 451 C LEU A 32 4.619 17.409 0.313 1.00 0.00 C ATOM 452 O LEU A 32 4.764 16.578 -0.581 1.00 0.00 O ATOM 453 CB LEU A 32 7.129 17.496 0.821 1.00 0.00 C ATOM 454 CG LEU A 32 8.174 18.405 1.470 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.486 18.381 0.683 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.635 19.826 1.641 1.00 0.00 C ATOM 0 H LEU A 32 5.457 15.687 2.166 1.00 0.00 H new ATOM 0 HA LEU A 32 5.611 18.633 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.458 16.462 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.103 17.711 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 32 8.389 18.020 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.212 19.036 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.876 17.364 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.306 18.727 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.398 20.451 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.374 20.236 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.749 19.805 2.275 1.00 0.00 H new ATOM 468 N VAL A 33 3.554 18.185 0.450 1.00 0.00 N ATOM 469 CA VAL A 33 2.443 18.103 -0.482 1.00 0.00 C ATOM 470 C VAL A 33 2.195 19.483 -1.096 1.00 0.00 C ATOM 471 O VAL A 33 2.465 20.504 -0.466 1.00 0.00 O ATOM 472 CB VAL A 33 1.210 17.531 0.221 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.384 17.560 1.741 1.00 0.00 C ATOM 474 CG2 VAL A 33 -0.057 18.278 -0.201 1.00 0.00 C ATOM 0 H VAL A 33 3.437 18.874 1.193 1.00 0.00 H new ATOM 0 HA VAL A 33 2.680 17.421 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 33 1.102 16.490 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.494 17.148 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.253 16.964 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.529 18.589 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.919 17.852 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.037 19.332 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.194 18.183 -1.278 1.00 0.00 H new ATOM 484 N PRO A 34 1.669 19.468 -2.350 1.00 0.00 N ATOM 485 CA PRO A 34 1.381 20.705 -3.056 1.00 0.00 C ATOM 486 C PRO A 34 0.123 21.374 -2.499 1.00 0.00 C ATOM 487 O PRO A 34 0.045 22.599 -2.433 1.00 0.00 O ATOM 488 CB PRO A 34 1.244 20.302 -4.515 1.00 0.00 C ATOM 489 CG PRO A 34 0.998 18.802 -4.513 1.00 0.00 C ATOM 490 CD PRO A 34 1.336 18.277 -3.127 1.00 0.00 C ATOM 0 HA PRO A 34 2.166 21.451 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.419 20.832 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.146 20.549 -5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.041 18.585 -4.761 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.614 18.313 -5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.493 17.742 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.173 17.580 -3.161 1.00 0.00 H new ATOM 498 N LYS A 35 -0.831 20.539 -2.114 1.00 0.00 N ATOM 499 CA LYS A 35 -2.082 21.034 -1.565 1.00 0.00 C ATOM 500 C LYS A 35 -2.740 19.932 -0.733 1.00 0.00 C ATOM 501 O LYS A 35 -2.309 19.651 0.384 1.00 0.00 O ATOM 502 CB LYS A 35 -2.976 21.581 -2.679 1.00 0.00 C ATOM 503 CG LYS A 35 -2.616 23.031 -3.009 1.00 0.00 C ATOM 504 CD LYS A 35 -3.764 23.728 -3.742 1.00 0.00 C ATOM 505 CE LYS A 35 -3.432 23.918 -5.224 1.00 0.00 C ATOM 506 NZ LYS A 35 -4.265 24.994 -5.807 1.00 0.00 N ATOM 0 H LYS A 35 -0.763 19.523 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.899 21.873 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.870 20.964 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.021 21.522 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.386 23.570 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.718 23.055 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.675 23.138 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.959 24.697 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.376 24.165 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.601 22.986 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.028 25.110 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.270 24.743 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.083 25.885 -5.303 1.00 0.00 H new ATOM 520 N ARG A 36 -3.775 19.338 -1.309 1.00 0.00 N ATOM 521 CA ARG A 36 -4.498 18.273 -0.634 1.00 0.00 C ATOM 522 C ARG A 36 -4.259 16.938 -1.343 1.00 0.00 C ATOM 523 O ARG A 36 -4.061 16.903 -2.557 1.00 0.00 O ATOM 524 CB ARG A 36 -5.999 18.563 -0.599 1.00 0.00 C ATOM 525 CG ARG A 36 -6.620 18.411 -1.989 1.00 0.00 C ATOM 526 CD ARG A 36 -7.807 19.360 -2.166 1.00 0.00 C ATOM 527 NE ARG A 36 -7.684 20.092 -3.446 1.00 0.00 N ATOM 528 CZ ARG A 36 -8.386 21.191 -3.754 1.00 0.00 C ATOM 529 NH1 ARG A 36 -9.266 21.692 -2.876 1.00 0.00 N ATOM 530 NH2 ARG A 36 -8.208 21.790 -4.939 1.00 0.00 N ATOM 0 H ARG A 36 -4.130 19.574 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.127 18.216 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.488 17.883 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.169 19.574 -0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.869 18.617 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.948 17.382 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.740 18.796 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.846 20.066 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.023 19.738 -4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.401 21.237 -1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.800 22.529 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.538 21.409 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.743 22.627 -5.173 1.00 0.00 H new ATOM 544 N LEU A 37 -4.287 15.873 -0.556 1.00 0.00 N ATOM 545 CA LEU A 37 -4.077 14.540 -1.093 1.00 0.00 C ATOM 546 C LEU A 37 -5.384 14.028 -1.701 1.00 0.00 C ATOM 547 O LEU A 37 -6.432 14.074 -1.059 1.00 0.00 O ATOM 548 CB LEU A 37 -3.494 13.616 -0.021 1.00 0.00 C ATOM 549 CG LEU A 37 -2.240 12.835 -0.419 1.00 0.00 C ATOM 550 CD1 LEU A 37 -1.072 13.160 0.515 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.525 11.333 -0.478 1.00 0.00 C ATOM 0 H LEU A 37 -4.452 15.906 0.450 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.340 14.565 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.261 14.215 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.264 12.903 0.274 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.947 13.147 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.193 12.592 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.851 14.226 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.339 12.894 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.617 10.801 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.856 10.987 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.305 11.139 -1.214 1.00 0.00 H new ATOM 563 N ASP A 38 -5.279 13.550 -2.933 1.00 0.00 N ATOM 564 CA ASP A 38 -6.440 13.030 -3.635 1.00 0.00 C ATOM 565 C ASP A 38 -6.631 11.556 -3.273 1.00 0.00 C ATOM 566 O ASP A 38 -7.720 11.009 -3.437 1.00 0.00 O ATOM 567 CB ASP A 38 -6.255 13.125 -5.151 1.00 0.00 C ATOM 568 CG ASP A 38 -7.118 14.182 -5.843 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.445 15.180 -5.165 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.431 13.969 -7.034 1.00 0.00 O ATOM 0 H ASP A 38 -4.408 13.512 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.306 13.622 -3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.207 13.339 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.476 12.152 -5.591 1.00 0.00 H new ATOM 575 N GLY A 39 -5.555 10.954 -2.789 1.00 0.00 N ATOM 576 CA GLY A 39 -5.590 9.554 -2.402 1.00 0.00 C ATOM 577 C GLY A 39 -4.387 8.798 -2.971 1.00 0.00 C ATOM 578 O GLY A 39 -3.770 9.243 -3.937 1.00 0.00 O ATOM 0 H GLY A 39 -4.653 11.411 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.594 9.473 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.513 9.097 -2.759 1.00 0.00 H new ATOM 582 N TYR A 40 -4.091 7.667 -2.347 1.00 0.00 N ATOM 583 CA TYR A 40 -2.973 6.845 -2.779 1.00 0.00 C ATOM 584 C TYR A 40 -3.459 5.637 -3.581 1.00 0.00 C ATOM 585 O TYR A 40 -4.661 5.453 -3.766 1.00 0.00 O ATOM 586 CB TYR A 40 -2.292 6.354 -1.499 1.00 0.00 C ATOM 587 CG TYR A 40 -2.051 7.451 -0.462 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.084 7.874 0.349 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.799 8.019 -0.336 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.857 8.907 1.326 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.571 9.052 0.641 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.612 9.445 1.424 1.00 0.00 C ATOM 593 OH TYR A 40 -1.397 10.421 2.346 1.00 0.00 O ATOM 0 H TYR A 40 -4.606 7.301 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.300 7.417 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.905 5.573 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.337 5.899 -1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.064 7.430 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.010 7.688 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.657 9.247 1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.404 9.504 0.750 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.241 10.881 2.539 1.00 0.00 H new ATOM 603 N VAL A 41 -2.500 4.843 -4.035 1.00 0.00 N ATOM 604 CA VAL A 41 -2.815 3.657 -4.813 1.00 0.00 C ATOM 605 C VAL A 41 -2.014 2.471 -4.273 1.00 0.00 C ATOM 606 O VAL A 41 -0.804 2.389 -4.479 1.00 0.00 O ATOM 607 CB VAL A 41 -2.562 3.923 -6.298 1.00 0.00 C ATOM 608 CG1 VAL A 41 -1.312 4.782 -6.496 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.456 2.612 -7.079 1.00 0.00 C ATOM 0 H VAL A 41 -1.504 4.998 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.871 3.406 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.415 4.478 -6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.155 4.956 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.443 5.737 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.446 4.266 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.276 2.829 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.631 2.019 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.386 2.052 -6.978 1.00 0.00 H new ATOM 619 N LEU A 42 -2.721 1.581 -3.592 1.00 0.00 N ATOM 620 CA LEU A 42 -2.090 0.403 -3.022 1.00 0.00 C ATOM 621 C LEU A 42 -1.779 -0.595 -4.139 1.00 0.00 C ATOM 622 O LEU A 42 -2.682 -1.056 -4.834 1.00 0.00 O ATOM 623 CB LEU A 42 -2.956 -0.178 -1.902 1.00 0.00 C ATOM 624 CG LEU A 42 -2.357 -1.360 -1.135 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.929 -1.051 -0.682 1.00 0.00 C ATOM 626 CD2 LEU A 42 -3.255 -1.766 0.035 1.00 0.00 C ATOM 0 H LEU A 42 -3.724 1.652 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.140 0.667 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.176 0.617 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.907 -0.493 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.303 -2.214 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.526 -1.906 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.307 -0.848 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.935 -0.178 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.806 -2.608 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.364 -0.925 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.236 -2.056 -0.342 1.00 0.00 H new ATOM 638 N GLU A 43 -0.496 -0.900 -4.276 1.00 0.00 N ATOM 639 CA GLU A 43 -0.054 -1.835 -5.296 1.00 0.00 C ATOM 640 C GLU A 43 0.740 -2.977 -4.661 1.00 0.00 C ATOM 641 O GLU A 43 1.832 -2.762 -4.136 1.00 0.00 O ATOM 642 CB GLU A 43 0.771 -1.124 -6.370 1.00 0.00 C ATOM 643 CG GLU A 43 -0.073 -0.843 -7.615 1.00 0.00 C ATOM 644 CD GLU A 43 0.516 0.311 -8.429 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.142 1.189 -7.797 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.327 0.288 -9.664 1.00 0.00 O ATOM 0 H GLU A 43 0.251 -0.516 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.934 -2.257 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.162 -0.187 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.630 -1.739 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.125 -1.739 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.094 -0.600 -7.319 1.00 0.00 H new ATOM 653 N GLY A 44 0.162 -4.168 -4.730 1.00 0.00 N ATOM 654 CA GLY A 44 0.803 -5.344 -4.168 1.00 0.00 C ATOM 655 C GLY A 44 0.980 -6.432 -5.229 1.00 0.00 C ATOM 656 O GLY A 44 0.558 -6.263 -6.373 1.00 0.00 O ATOM 0 H GLY A 44 -0.743 -4.343 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.775 -5.071 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.204 -5.730 -3.343 1.00 0.00 H new ATOM 660 N ARG A 45 1.603 -7.524 -4.813 1.00 0.00 N ATOM 661 CA ARG A 45 1.841 -8.640 -5.714 1.00 0.00 C ATOM 662 C ARG A 45 2.577 -9.764 -4.983 1.00 0.00 C ATOM 663 O ARG A 45 3.364 -9.508 -4.074 1.00 0.00 O ATOM 664 CB ARG A 45 2.666 -8.202 -6.926 1.00 0.00 C ATOM 665 CG ARG A 45 4.055 -7.724 -6.500 1.00 0.00 C ATOM 666 CD ARG A 45 5.043 -7.799 -7.666 1.00 0.00 C ATOM 667 NE ARG A 45 6.423 -7.940 -7.152 1.00 0.00 N ATOM 668 CZ ARG A 45 7.523 -7.658 -7.864 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.410 -7.216 -9.124 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.735 -7.816 -7.316 1.00 0.00 N ATOM 0 H ARG A 45 1.951 -7.661 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 45 0.872 -9.001 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.762 -9.033 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.148 -7.401 -7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.995 -6.699 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.416 -8.335 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.797 -8.645 -8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.964 -6.901 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 45 6.545 -8.273 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.487 -7.094 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.247 -7.001 -9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.821 -8.151 -6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.572 -7.601 -7.858 1.00 0.00 H new ATOM 684 N GLN A 46 2.295 -10.987 -5.409 1.00 0.00 N ATOM 685 CA GLN A 46 2.920 -12.152 -4.807 1.00 0.00 C ATOM 686 C GLN A 46 3.829 -12.851 -5.820 1.00 0.00 C ATOM 687 O GLN A 46 3.464 -13.000 -6.986 1.00 0.00 O ATOM 688 CB GLN A 46 1.868 -13.117 -4.257 1.00 0.00 C ATOM 689 CG GLN A 46 1.284 -13.985 -5.374 1.00 0.00 C ATOM 690 CD GLN A 46 -0.154 -14.398 -5.052 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.408 -15.371 -4.363 1.00 0.00 O ATOM 692 NE2 GLN A 46 -1.077 -13.605 -5.589 1.00 0.00 N ATOM 0 H GLN A 46 1.642 -11.196 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 46 3.532 -11.818 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.316 -13.753 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.070 -12.554 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.306 -13.436 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.900 -14.874 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.795 -12.806 -6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.067 -13.796 -5.433 1.00 0.00 H new ATOM 736 N GLY A 50 2.393 -9.791 -11.693 1.00 0.00 N ATOM 737 CA GLY A 50 2.263 -8.404 -12.108 1.00 0.00 C ATOM 738 C GLY A 50 1.700 -7.543 -10.976 1.00 0.00 C ATOM 739 O GLY A 50 0.810 -7.977 -10.245 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.236 -8.019 -12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.609 -8.341 -12.978 1.00 0.00 H new ATOM 743 N TRP A 51 2.241 -6.339 -10.865 1.00 0.00 N ATOM 744 CA TRP A 51 1.804 -5.413 -9.834 1.00 0.00 C ATOM 745 C TRP A 51 0.298 -5.197 -10.001 1.00 0.00 C ATOM 746 O TRP A 51 -0.140 -4.580 -10.970 1.00 0.00 O ATOM 747 CB TRP A 51 2.604 -4.111 -9.891 1.00 0.00 C ATOM 748 CG TRP A 51 3.989 -4.204 -9.248 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.179 -4.281 -9.859 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.281 -4.225 -7.834 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.213 -4.351 -8.946 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.649 -4.315 -7.676 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.418 -4.169 -6.726 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.275 -4.359 -6.425 1.00 0.00 C ATOM 755 CZ3 TRP A 51 4.059 -4.213 -5.482 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.435 -4.305 -5.306 1.00 0.00 C ATOM 0 H TRP A 51 2.979 -5.983 -11.473 1.00 0.00 H new ATOM 0 HA TRP A 51 1.990 -5.825 -8.842 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.718 -3.812 -10.933 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.036 -3.325 -9.394 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.313 -4.288 -10.931 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.207 -4.417 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.345 -4.098 -6.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.348 -4.431 -6.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.441 -4.173 -4.597 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.854 -4.335 -4.311 1.00 0.00 H new ATOM 767 N GLU A 52 -0.452 -5.718 -9.041 1.00 0.00 N ATOM 768 CA GLU A 52 -1.899 -5.589 -9.069 1.00 0.00 C ATOM 769 C GLU A 52 -2.356 -4.513 -8.082 1.00 0.00 C ATOM 770 O GLU A 52 -2.204 -4.670 -6.872 1.00 0.00 O ATOM 771 CB GLU A 52 -2.574 -6.929 -8.769 1.00 0.00 C ATOM 772 CG GLU A 52 -2.672 -7.169 -7.261 1.00 0.00 C ATOM 773 CD GLU A 52 -2.877 -8.654 -6.955 1.00 0.00 C ATOM 774 OE1 GLU A 52 -4.019 -9.123 -7.154 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.887 -9.287 -6.528 1.00 0.00 O ATOM 0 H GLU A 52 -0.085 -6.230 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.197 -5.284 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.571 -6.944 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.009 -7.737 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.764 -6.815 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.500 -6.592 -6.850 1.00 0.00 H new ATOM 782 N VAL A 53 -2.907 -3.443 -8.637 1.00 0.00 N ATOM 783 CA VAL A 53 -3.386 -2.340 -7.821 1.00 0.00 C ATOM 784 C VAL A 53 -4.496 -2.842 -6.894 1.00 0.00 C ATOM 785 O VAL A 53 -5.594 -3.157 -7.349 1.00 0.00 O ATOM 786 CB VAL A 53 -3.833 -1.183 -8.716 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.311 0.005 -7.878 1.00 0.00 C ATOM 788 CG2 VAL A 53 -2.714 -0.765 -9.671 1.00 0.00 C ATOM 0 H VAL A 53 -3.032 -3.317 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.585 -1.955 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.674 -1.529 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.623 0.814 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.153 -0.303 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.498 0.351 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.058 0.059 -10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.845 -0.446 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.440 -1.610 -10.303 1.00 0.00 H new ATOM 798 N LEU A 54 -4.170 -2.901 -5.611 1.00 0.00 N ATOM 799 CA LEU A 54 -5.125 -3.360 -4.617 1.00 0.00 C ATOM 800 C LEU A 54 -6.241 -2.323 -4.472 1.00 0.00 C ATOM 801 O LEU A 54 -7.412 -2.679 -4.349 1.00 0.00 O ATOM 802 CB LEU A 54 -4.415 -3.686 -3.302 1.00 0.00 C ATOM 803 CG LEU A 54 -3.169 -4.568 -3.414 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.597 -4.887 -2.031 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.464 -5.835 -4.218 1.00 0.00 C ATOM 0 H LEU A 54 -3.258 -2.639 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.593 -4.290 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.131 -2.749 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.127 -4.179 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.405 -4.012 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.713 -5.515 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.324 -3.960 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.346 -5.414 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.562 -6.443 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.251 -6.404 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.789 -5.561 -5.222 1.00 0.00 H new ATOM 817 N ASP A 55 -5.839 -1.061 -4.492 1.00 0.00 N ATOM 818 CA ASP A 55 -6.790 0.030 -4.364 1.00 0.00 C ATOM 819 C ASP A 55 -6.111 1.342 -4.762 1.00 0.00 C ATOM 820 O ASP A 55 -5.296 1.876 -4.012 1.00 0.00 O ATOM 821 CB ASP A 55 -7.277 0.169 -2.920 1.00 0.00 C ATOM 822 CG ASP A 55 -8.776 -0.062 -2.719 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.294 -1.011 -3.348 1.00 0.00 O ATOM 824 OD2 ASP A 55 -9.371 0.715 -1.941 1.00 0.00 O ATOM 0 H ASP A 55 -4.867 -0.769 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.639 -0.185 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.729 -0.538 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.027 1.168 -2.563 1.00 0.00 H new ATOM 829 N PRO A 56 -6.483 1.837 -5.974 1.00 0.00 N ATOM 830 CA PRO A 56 -5.919 3.076 -6.481 1.00 0.00 C ATOM 831 C PRO A 56 -6.521 4.286 -5.763 1.00 0.00 C ATOM 832 O PRO A 56 -5.950 5.375 -5.790 1.00 0.00 O ATOM 833 CB PRO A 56 -6.215 3.062 -7.972 1.00 0.00 C ATOM 834 CG PRO A 56 -7.331 2.049 -8.165 1.00 0.00 C ATOM 835 CD PRO A 56 -7.446 1.231 -6.889 1.00 0.00 C ATOM 0 HA PRO A 56 -4.847 3.154 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.519 4.049 -8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.330 2.782 -8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.272 2.555 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.116 1.402 -9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.457 1.270 -6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.215 0.181 -7.069 1.00 0.00 H new ATOM 843 N ALA A 57 -7.666 4.054 -5.139 1.00 0.00 N ATOM 844 CA ALA A 57 -8.352 5.112 -4.416 1.00 0.00 C ATOM 845 C ALA A 57 -8.270 4.832 -2.914 1.00 0.00 C ATOM 846 O ALA A 57 -9.029 4.019 -2.388 1.00 0.00 O ATOM 847 CB ALA A 57 -9.795 5.217 -4.912 1.00 0.00 C ATOM 0 H ALA A 57 -8.136 3.149 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.874 6.075 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.309 6.010 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.798 5.445 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.308 4.270 -4.742 1.00 0.00 H new ATOM 853 N VAL A 58 -7.343 5.522 -2.265 1.00 0.00 N ATOM 854 CA VAL A 58 -7.153 5.358 -0.834 1.00 0.00 C ATOM 855 C VAL A 58 -7.228 6.726 -0.154 1.00 0.00 C ATOM 856 O VAL A 58 -6.608 7.685 -0.611 1.00 0.00 O ATOM 857 CB VAL A 58 -5.837 4.626 -0.562 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.599 4.468 0.941 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.808 3.269 -1.268 1.00 0.00 C ATOM 0 H VAL A 58 -6.716 6.196 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.946 4.741 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.026 5.231 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.657 3.945 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.555 5.452 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.415 3.895 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.862 2.770 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.631 2.653 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.910 3.416 -2.343 1.00 0.00 H new ATOM 869 N ALA A 59 -7.993 6.773 0.927 1.00 0.00 N ATOM 870 CA ALA A 59 -8.157 8.008 1.675 1.00 0.00 C ATOM 871 C ALA A 59 -6.823 8.755 1.715 1.00 0.00 C ATOM 872 O ALA A 59 -5.818 8.214 2.173 1.00 0.00 O ATOM 873 CB ALA A 59 -8.691 7.691 3.073 1.00 0.00 C ATOM 0 H ALA A 59 -8.506 5.976 1.303 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.884 8.658 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.814 8.617 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.654 7.187 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.986 7.042 3.593 1.00 0.00 H new ATOM 879 N GLY A 60 -6.857 9.988 1.231 1.00 0.00 N ATOM 880 CA GLY A 60 -5.663 10.816 1.207 1.00 0.00 C ATOM 881 C GLY A 60 -5.220 11.182 2.625 1.00 0.00 C ATOM 882 O GLY A 60 -4.139 11.736 2.818 1.00 0.00 O ATOM 0 H GLY A 60 -7.693 10.434 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.859 10.286 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.858 11.725 0.637 1.00 0.00 H new ATOM 886 N THR A 61 -6.079 10.858 3.581 1.00 0.00 N ATOM 887 CA THR A 61 -5.790 11.146 4.975 1.00 0.00 C ATOM 888 C THR A 61 -5.491 9.853 5.736 1.00 0.00 C ATOM 889 O THR A 61 -4.998 9.891 6.862 1.00 0.00 O ATOM 890 CB THR A 61 -6.972 11.930 5.550 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.095 11.084 5.319 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.284 13.193 4.745 1.00 0.00 C ATOM 0 H THR A 61 -6.975 10.399 3.417 1.00 0.00 H new ATOM 0 HA THR A 61 -4.894 11.759 5.075 1.00 0.00 H new ATOM 0 HB THR A 61 -6.758 12.202 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.905 11.515 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.130 13.712 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.414 13.849 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.530 12.919 3.719 1.00 0.00 H new ATOM 900 N GLU A 62 -5.803 8.738 5.091 1.00 0.00 N ATOM 901 CA GLU A 62 -5.574 7.436 5.692 1.00 0.00 C ATOM 902 C GLU A 62 -4.078 7.213 5.922 1.00 0.00 C ATOM 903 O GLU A 62 -3.246 7.868 5.296 1.00 0.00 O ATOM 904 CB GLU A 62 -6.168 6.321 4.829 1.00 0.00 C ATOM 905 CG GLU A 62 -7.524 5.869 5.375 1.00 0.00 C ATOM 906 CD GLU A 62 -7.350 4.950 6.586 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.634 5.372 7.520 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.935 3.847 6.550 1.00 0.00 O ATOM 0 H GLU A 62 -6.213 8.710 4.157 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.078 7.410 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.284 6.672 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.483 5.474 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.115 6.740 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.078 5.347 4.595 1.00 0.00 H new ATOM 915 N THR A 63 -3.781 6.286 6.821 1.00 0.00 N ATOM 916 CA THR A 63 -2.400 5.969 7.141 1.00 0.00 C ATOM 917 C THR A 63 -2.174 4.457 7.089 1.00 0.00 C ATOM 918 O THR A 63 -1.084 3.977 7.396 1.00 0.00 O ATOM 919 CB THR A 63 -2.077 6.585 8.504 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.256 6.364 9.273 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.952 8.108 8.444 1.00 0.00 C ATOM 0 H THR A 63 -4.474 5.744 7.338 1.00 0.00 H new ATOM 0 HA THR A 63 -1.716 6.394 6.406 1.00 0.00 H new ATOM 0 HB THR A 63 -1.148 6.159 8.883 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.133 6.731 10.173 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.722 8.494 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.152 8.381 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.892 8.537 8.097 1.00 0.00 H new ATOM 929 N GLU A 64 -3.223 3.747 6.698 1.00 0.00 N ATOM 930 CA GLU A 64 -3.152 2.299 6.601 1.00 0.00 C ATOM 931 C GLU A 64 -4.405 1.752 5.914 1.00 0.00 C ATOM 932 O GLU A 64 -5.347 2.497 5.647 1.00 0.00 O ATOM 933 CB GLU A 64 -2.963 1.666 7.981 1.00 0.00 C ATOM 934 CG GLU A 64 -4.044 2.140 8.954 1.00 0.00 C ATOM 935 CD GLU A 64 -5.175 1.115 9.058 1.00 0.00 C ATOM 936 OE1 GLU A 64 -5.599 0.627 7.988 1.00 0.00 O ATOM 937 OE2 GLU A 64 -5.591 0.843 10.205 1.00 0.00 O ATOM 0 H GLU A 64 -4.126 4.148 6.445 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.285 2.036 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.997 0.580 7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.979 1.924 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.606 2.304 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.445 3.097 8.620 1.00 0.00 H new ATOM 944 N LEU A 65 -4.376 0.454 5.647 1.00 0.00 N ATOM 945 CA LEU A 65 -5.497 -0.201 4.996 1.00 0.00 C ATOM 946 C LEU A 65 -5.337 -1.718 5.118 1.00 0.00 C ATOM 947 O LEU A 65 -4.221 -2.219 5.251 1.00 0.00 O ATOM 948 CB LEU A 65 -5.640 0.287 3.553 1.00 0.00 C ATOM 949 CG LEU A 65 -6.585 -0.520 2.662 1.00 0.00 C ATOM 950 CD1 LEU A 65 -8.030 -0.044 2.821 1.00 0.00 C ATOM 951 CD2 LEU A 65 -6.127 -0.484 1.202 1.00 0.00 C ATOM 0 H LEU A 65 -3.593 -0.161 5.870 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.431 0.063 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.986 1.321 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.652 0.290 3.092 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.552 -1.561 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.681 -0.635 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.341 -0.165 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.100 1.007 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.816 -1.066 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.112 0.548 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.126 -0.908 1.124 1.00 0.00 H new ATOM 963 N LEU A 66 -6.468 -2.406 5.070 1.00 0.00 N ATOM 964 CA LEU A 66 -6.467 -3.856 5.174 1.00 0.00 C ATOM 965 C LEU A 66 -6.437 -4.463 3.770 1.00 0.00 C ATOM 966 O LEU A 66 -7.057 -3.936 2.848 1.00 0.00 O ATOM 967 CB LEU A 66 -7.645 -4.333 6.026 1.00 0.00 C ATOM 968 CG LEU A 66 -7.559 -5.769 6.545 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.773 -5.832 7.856 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.952 -6.387 6.682 1.00 0.00 C ATOM 0 H LEU A 66 -7.391 -1.987 4.961 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.571 -4.201 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.744 -3.664 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.557 -4.235 5.437 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.013 -6.364 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.727 -6.864 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.762 -5.459 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.269 -5.218 8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.862 -7.408 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.544 -5.798 7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.443 -6.396 5.709 1.00 0.00 H new ATOM 982 N VAL A 67 -5.709 -5.564 3.652 1.00 0.00 N ATOM 983 CA VAL A 67 -5.590 -6.249 2.376 1.00 0.00 C ATOM 984 C VAL A 67 -5.764 -7.754 2.592 1.00 0.00 C ATOM 985 O VAL A 67 -4.781 -8.488 2.687 1.00 0.00 O ATOM 986 CB VAL A 67 -4.260 -5.890 1.712 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.142 -6.542 0.332 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.086 -4.373 1.618 1.00 0.00 C ATOM 0 H VAL A 67 -5.196 -5.999 4.419 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.376 -5.926 1.694 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.457 -6.281 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.187 -6.271 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.199 -7.626 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.955 -6.195 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.132 -4.145 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.897 -3.950 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.104 -3.942 2.619 1.00 0.00 H new ATOM 998 N PRO A 68 -7.053 -8.179 2.665 1.00 0.00 N ATOM 999 CA PRO A 68 -7.368 -9.583 2.868 1.00 0.00 C ATOM 1000 C PRO A 68 -7.139 -10.387 1.587 1.00 0.00 C ATOM 1001 O PRO A 68 -7.147 -11.617 1.611 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.816 -9.599 3.329 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.398 -8.255 2.922 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.242 -7.338 2.557 1.00 0.00 C ATOM 0 HA PRO A 68 -6.723 -10.056 3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.365 -10.419 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.881 -9.742 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.074 -8.372 2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.981 -7.828 3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.355 -6.940 1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.186 -6.484 3.232 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.941 -9.660 0.497 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.710 -10.290 -0.792 1.00 0.00 C ATOM 1014 C GLY A 69 -5.279 -10.819 -0.895 1.00 0.00 C ATOM 1015 O GLY A 69 -4.563 -10.502 -1.843 1.00 0.00 O ATOM 0 H GLY A 69 -6.936 -8.640 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.415 -11.109 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.894 -9.571 -1.590 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.904 -11.617 0.095 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.571 -12.194 0.127 1.00 0.00 C ATOM 1021 C LEU A 70 -3.671 -13.710 -0.053 1.00 0.00 C ATOM 1022 O LEU A 70 -4.728 -14.297 0.174 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.836 -11.773 1.402 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.446 -10.296 1.495 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.091 -10.129 2.184 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.474 -9.634 0.115 1.00 0.00 C ATOM 0 H LEU A 70 -5.500 -11.877 0.881 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.971 -11.814 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.466 -12.017 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.931 -12.374 1.491 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.185 -9.785 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.838 -9.070 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.142 -10.541 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.326 -10.657 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.193 -8.585 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.770 -10.140 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.479 -9.705 -0.302 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.557 -14.300 -0.459 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.506 -15.737 -0.672 1.00 0.00 C ATOM 1040 C ILE A 71 -1.590 -16.371 0.377 1.00 0.00 C ATOM 1041 O ILE A 71 -0.767 -15.687 0.983 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.100 -16.051 -2.113 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.046 -15.376 -3.108 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.011 -17.561 -2.341 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.954 -16.404 -3.785 1.00 0.00 C ATOM 0 H ILE A 71 -1.682 -13.810 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.495 -16.177 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.105 -15.640 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.654 -14.633 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.467 -14.844 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.721 -17.757 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.267 -17.987 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.982 -18.016 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.616 -15.898 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.344 -17.131 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.550 -16.917 -3.030 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.765 -17.672 0.559 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.964 -18.406 1.524 1.00 0.00 C ATOM 1059 C LYS A 72 0.201 -19.086 0.802 1.00 0.00 C ATOM 1060 O LYS A 72 0.059 -19.522 -0.339 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.841 -19.374 2.322 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.368 -20.499 1.430 1.00 0.00 C ATOM 1063 CD LYS A 72 -1.916 -21.866 1.948 1.00 0.00 C ATOM 1064 CE LYS A 72 -1.501 -22.780 0.793 1.00 0.00 C ATOM 1065 NZ LYS A 72 -2.339 -24.000 0.771 1.00 0.00 N ATOM 0 H LYS A 72 -2.449 -18.236 0.055 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.532 -17.725 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.266 -19.797 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.678 -18.833 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.457 -20.461 1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.012 -20.357 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.080 -21.740 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.725 -22.331 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.599 -22.248 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.451 -23.054 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.044 -24.609 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.225 -24.515 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.337 -23.734 0.649 1.00 0.00 H new ATOM 1079 N ASP A 73 1.327 -19.154 1.497 1.00 0.00 N ATOM 1080 CA ASP A 73 2.516 -19.773 0.937 1.00 0.00 C ATOM 1081 C ASP A 73 3.103 -18.858 -0.139 1.00 0.00 C ATOM 1082 O ASP A 73 3.753 -19.328 -1.072 1.00 0.00 O ATOM 1083 CB ASP A 73 2.182 -21.116 0.284 1.00 0.00 C ATOM 1084 CG ASP A 73 3.320 -22.139 0.291 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.018 -22.205 1.326 1.00 0.00 O ATOM 1086 OD2 ASP A 73 3.467 -22.832 -0.739 1.00 0.00 O ATOM 0 H ASP A 73 1.441 -18.790 2.443 1.00 0.00 H new ATOM 0 HA ASP A 73 3.227 -19.933 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.322 -21.548 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.881 -20.936 -0.748 1.00 0.00 H new ATOM 1091 N VAL A 74 2.854 -17.567 0.027 1.00 0.00 N ATOM 1092 CA VAL A 74 3.350 -16.581 -0.919 1.00 0.00 C ATOM 1093 C VAL A 74 3.807 -15.336 -0.157 1.00 0.00 C ATOM 1094 O VAL A 74 3.619 -15.240 1.055 1.00 0.00 O ATOM 1095 CB VAL A 74 2.280 -16.280 -1.970 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.790 -17.567 -2.637 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.115 -15.500 -1.359 1.00 0.00 C ATOM 0 H VAL A 74 2.315 -17.181 0.802 1.00 0.00 H new ATOM 0 HA VAL A 74 4.215 -16.969 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 74 2.733 -15.655 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.030 -17.325 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.628 -18.066 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.363 -18.228 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.369 -15.299 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.663 -16.087 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.481 -14.557 -0.954 1.00 0.00 H new ATOM 1107 N LEU A 75 4.400 -14.412 -0.899 1.00 0.00 N ATOM 1108 CA LEU A 75 4.886 -13.176 -0.309 1.00 0.00 C ATOM 1109 C LEU A 75 4.313 -11.987 -1.083 1.00 0.00 C ATOM 1110 O LEU A 75 4.871 -11.576 -2.099 1.00 0.00 O ATOM 1111 CB LEU A 75 6.414 -13.182 -0.234 1.00 0.00 C ATOM 1112 CG LEU A 75 7.026 -12.573 1.029 1.00 0.00 C ATOM 1113 CD1 LEU A 75 5.956 -11.890 1.882 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.807 -13.624 1.821 1.00 0.00 C ATOM 0 H LEU A 75 4.555 -14.495 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 75 4.540 -13.084 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.758 -14.213 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.802 -12.643 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 75 7.737 -11.803 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.418 -11.466 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.483 -11.095 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.204 -12.622 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.232 -13.165 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.136 -14.432 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.610 -14.024 1.202 1.00 0.00 H new ATOM 1126 N TYR A 76 3.206 -11.467 -0.572 1.00 0.00 N ATOM 1127 CA TYR A 76 2.552 -10.333 -1.202 1.00 0.00 C ATOM 1128 C TYR A 76 3.239 -9.021 -0.819 1.00 0.00 C ATOM 1129 O TYR A 76 3.478 -8.763 0.360 1.00 0.00 O ATOM 1130 CB TYR A 76 1.119 -10.321 -0.665 1.00 0.00 C ATOM 1131 CG TYR A 76 0.078 -10.840 -1.658 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.225 -12.186 -1.701 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.559 -9.962 -2.512 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.205 -12.674 -2.636 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.539 -10.450 -3.447 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.814 -11.782 -3.463 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.740 -12.243 -4.346 1.00 0.00 O ATOM 0 H TYR A 76 2.746 -11.810 0.271 1.00 0.00 H new ATOM 0 HA TYR A 76 2.591 -10.422 -2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.076 -10.927 0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.857 -9.302 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.273 -12.873 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.322 -8.909 -2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.451 -13.725 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.044 -9.774 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.092 -11.494 -4.871 1.00 0.00 H new ATOM 1147 N GLU A 77 3.537 -8.227 -1.837 1.00 0.00 N ATOM 1148 CA GLU A 77 4.191 -6.948 -1.621 1.00 0.00 C ATOM 1149 C GLU A 77 3.150 -5.839 -1.460 1.00 0.00 C ATOM 1150 O GLU A 77 1.948 -6.103 -1.480 1.00 0.00 O ATOM 1151 CB GLU A 77 5.160 -6.628 -2.762 1.00 0.00 C ATOM 1152 CG GLU A 77 6.521 -7.287 -2.526 1.00 0.00 C ATOM 1153 CD GLU A 77 7.185 -7.662 -3.852 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.628 -8.549 -4.535 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.235 -7.055 -4.153 1.00 0.00 O ATOM 0 H GLU A 77 3.338 -8.445 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 77 4.772 -7.011 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.742 -6.976 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.284 -5.548 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.167 -6.607 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.396 -8.179 -1.913 1.00 0.00 H new ATOM 1162 N PHE A 78 3.648 -4.621 -1.303 1.00 0.00 N ATOM 1163 CA PHE A 78 2.775 -3.471 -1.138 1.00 0.00 C ATOM 1164 C PHE A 78 3.536 -2.166 -1.381 1.00 0.00 C ATOM 1165 O PHE A 78 4.688 -2.030 -0.973 1.00 0.00 O ATOM 1166 CB PHE A 78 2.273 -3.494 0.307 1.00 0.00 C ATOM 1167 CG PHE A 78 1.379 -4.691 0.637 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.187 -4.844 0.001 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.777 -5.601 1.565 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.643 -5.955 0.307 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.947 -6.712 1.871 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.246 -6.865 1.236 1.00 0.00 C ATOM 0 H PHE A 78 4.645 -4.406 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 78 1.955 -3.521 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.131 -3.499 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.720 -2.576 0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.128 -4.121 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.724 -5.479 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.590 -6.077 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.263 -7.435 2.608 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.878 -7.709 1.470 1.00 0.00 H new ATOM 1182 N ARG A 79 2.861 -1.239 -2.045 1.00 0.00 N ATOM 1183 CA ARG A 79 3.458 0.050 -2.347 1.00 0.00 C ATOM 1184 C ARG A 79 2.371 1.114 -2.510 1.00 0.00 C ATOM 1185 O ARG A 79 1.434 0.935 -3.286 1.00 0.00 O ATOM 1186 CB ARG A 79 4.294 -0.016 -3.627 1.00 0.00 C ATOM 1187 CG ARG A 79 3.396 -0.087 -4.864 1.00 0.00 C ATOM 1188 CD ARG A 79 4.183 -0.564 -6.086 1.00 0.00 C ATOM 1189 NE ARG A 79 3.805 0.234 -7.274 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.185 -0.057 -8.526 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.956 -1.127 -8.761 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.794 0.723 -9.543 1.00 0.00 N ATOM 0 H ARG A 79 1.906 -1.356 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 79 4.109 0.316 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.938 0.861 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.946 -0.889 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.564 -0.765 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.968 0.895 -5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.253 -0.470 -5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.983 -1.620 -6.268 1.00 0.00 H new ATOM 0 HE ARG A 79 3.219 1.056 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.254 -1.721 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.245 -1.348 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.207 1.538 -9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.083 0.502 -10.496 1.00 0.00 H new ATOM 1206 N LEU A 80 2.533 2.198 -1.765 1.00 0.00 N ATOM 1207 CA LEU A 80 1.577 3.291 -1.818 1.00 0.00 C ATOM 1208 C LEU A 80 2.151 4.425 -2.670 1.00 0.00 C ATOM 1209 O LEU A 80 3.341 4.727 -2.588 1.00 0.00 O ATOM 1210 CB LEU A 80 1.180 3.724 -0.405 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.320 3.738 -0.104 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.988 2.448 -0.586 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.579 3.997 1.381 1.00 0.00 C ATOM 0 H LEU A 80 3.311 2.343 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 80 0.654 2.967 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.667 3.059 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.575 4.724 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.772 4.561 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.054 2.484 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.849 2.346 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.538 1.594 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.653 4.002 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.111 3.211 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.158 4.963 1.661 1.00 0.00 H new ATOM 1225 N VAL A 81 1.279 5.023 -3.468 1.00 0.00 N ATOM 1226 CA VAL A 81 1.684 6.116 -4.334 1.00 0.00 C ATOM 1227 C VAL A 81 0.797 7.333 -4.062 1.00 0.00 C ATOM 1228 O VAL A 81 -0.354 7.376 -4.496 1.00 0.00 O ATOM 1229 CB VAL A 81 1.649 5.667 -5.797 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.728 6.379 -6.615 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.791 4.147 -5.906 1.00 0.00 C ATOM 0 H VAL A 81 0.293 4.771 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 81 2.712 6.409 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 81 0.679 5.944 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.681 6.042 -7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.563 7.456 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.710 6.147 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.763 3.853 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.740 3.838 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.971 3.666 -5.373 1.00 0.00 H new ATOM 1241 N ALA A 82 1.365 8.291 -3.345 1.00 0.00 N ATOM 1242 CA ALA A 82 0.640 9.505 -3.010 1.00 0.00 C ATOM 1243 C ALA A 82 0.549 10.398 -4.248 1.00 0.00 C ATOM 1244 O ALA A 82 1.552 10.956 -4.690 1.00 0.00 O ATOM 1245 CB ALA A 82 1.329 10.203 -1.836 1.00 0.00 C ATOM 0 H ALA A 82 2.319 8.251 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.378 9.271 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.786 11.114 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.341 9.537 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.352 10.456 -2.113 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.662 10.507 -4.773 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.897 11.323 -5.952 1.00 0.00 C ATOM 1253 C PHE A 83 -1.926 12.418 -5.665 1.00 0.00 C ATOM 1254 O PHE A 83 -2.916 12.179 -4.975 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.447 10.395 -7.037 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.733 9.668 -6.640 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.902 10.357 -6.544 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.709 8.332 -6.385 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.096 9.683 -6.176 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -3.903 7.658 -6.017 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.071 8.347 -5.920 1.00 0.00 C ATOM 0 H PHE A 83 -1.492 10.043 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 83 0.031 11.805 -6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.635 10.978 -7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.686 9.656 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.922 11.417 -6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.782 7.784 -6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.024 10.231 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.884 6.597 -5.814 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.979 7.834 -5.640 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.657 13.596 -6.208 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.547 14.728 -6.019 1.00 0.00 C ATOM 1273 C ALA A 84 -2.926 15.308 -7.384 1.00 0.00 C ATOM 1274 O ALA A 84 -2.117 15.979 -8.023 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.874 15.762 -5.113 1.00 0.00 C ATOM 0 H ALA A 84 -0.835 13.791 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.468 14.414 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.542 16.611 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.652 15.309 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.947 16.102 -5.575 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.155 15.027 -7.790 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.651 15.512 -9.067 1.00 0.00 C ATOM 1283 C GLY A 85 -3.504 15.706 -10.061 1.00 0.00 C ATOM 1284 O GLY A 85 -2.914 16.783 -10.131 1.00 0.00 O ATOM 0 H GLY A 85 -4.823 14.469 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.374 14.804 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.176 16.456 -8.923 1.00 0.00 H new ATOM 1288 N SER A 86 -3.224 14.647 -10.807 1.00 0.00 N ATOM 1289 CA SER A 86 -2.159 14.687 -11.794 1.00 0.00 C ATOM 1290 C SER A 86 -0.835 14.269 -11.153 1.00 0.00 C ATOM 1291 O SER A 86 -0.213 13.298 -11.581 1.00 0.00 O ATOM 1292 CB SER A 86 -2.033 16.082 -12.412 1.00 0.00 C ATOM 1293 OG SER A 86 -1.523 16.033 -13.741 1.00 0.00 O ATOM 0 H SER A 86 -3.717 13.756 -10.747 1.00 0.00 H new ATOM 0 HA SER A 86 -2.406 13.986 -12.592 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.010 16.566 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.376 16.694 -11.794 1.00 0.00 H new ATOM 0 HG SER A 86 -1.459 16.942 -14.101 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.442 15.023 -10.137 1.00 0.00 N ATOM 1300 CA PHE A 87 0.798 14.743 -9.432 1.00 0.00 C ATOM 1301 C PHE A 87 0.794 13.324 -8.859 1.00 0.00 C ATOM 1302 O PHE A 87 -0.110 12.956 -8.111 1.00 0.00 O ATOM 1303 CB PHE A 87 0.894 15.745 -8.281 1.00 0.00 C ATOM 1304 CG PHE A 87 1.133 17.188 -8.730 1.00 0.00 C ATOM 1305 CD1 PHE A 87 2.391 17.609 -9.027 1.00 0.00 C ATOM 1306 CD2 PHE A 87 0.086 18.050 -8.832 1.00 0.00 C ATOM 1307 CE1 PHE A 87 2.613 18.948 -9.444 1.00 0.00 C ATOM 1308 CE2 PHE A 87 0.307 19.390 -9.249 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.566 19.810 -9.547 1.00 0.00 C ATOM 0 H PHE A 87 -0.960 15.828 -9.785 1.00 0.00 H new ATOM 0 HA PHE A 87 1.642 14.827 -10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.027 15.704 -7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.704 15.443 -7.617 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.222 16.924 -8.946 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.914 17.716 -8.596 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.613 19.282 -9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.524 20.075 -9.329 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.734 20.828 -9.865 1.00 0.00 H new ATOM 1319 N VAL A 88 1.815 12.567 -9.232 1.00 0.00 N ATOM 1320 CA VAL A 88 1.941 11.197 -8.764 1.00 0.00 C ATOM 1321 C VAL A 88 3.291 11.023 -8.066 1.00 0.00 C ATOM 1322 O VAL A 88 4.338 11.081 -8.709 1.00 0.00 O ATOM 1323 CB VAL A 88 1.740 10.226 -9.929 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.363 8.863 -9.620 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.257 10.085 -10.276 1.00 0.00 C ATOM 0 H VAL A 88 2.563 12.876 -9.853 1.00 0.00 H new ATOM 0 HA VAL A 88 1.166 10.970 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 88 2.250 10.638 -10.800 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.206 8.191 -10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.432 8.983 -9.446 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.895 8.442 -8.730 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.142 9.389 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.285 9.707 -9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.144 11.058 -10.559 1.00 0.00 H new ATOM 1335 N SER A 89 3.223 10.813 -6.760 1.00 0.00 N ATOM 1336 CA SER A 89 4.428 10.630 -5.968 1.00 0.00 C ATOM 1337 C SER A 89 4.988 9.223 -6.185 1.00 0.00 C ATOM 1338 O SER A 89 4.322 8.369 -6.768 1.00 0.00 O ATOM 1339 CB SER A 89 4.151 10.867 -4.482 1.00 0.00 C ATOM 1340 OG SER A 89 3.452 9.777 -3.888 1.00 0.00 O ATOM 0 H SER A 89 2.353 10.765 -6.230 1.00 0.00 H new ATOM 0 HA SER A 89 5.166 11.363 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.094 11.021 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.567 11.780 -4.363 1.00 0.00 H new ATOM 0 HG SER A 89 4.072 9.032 -3.741 1.00 0.00 H new ATOM 1346 N ASP A 90 6.206 9.025 -5.704 1.00 0.00 N ATOM 1347 CA ASP A 90 6.864 7.736 -5.838 1.00 0.00 C ATOM 1348 C ASP A 90 6.199 6.729 -4.897 1.00 0.00 C ATOM 1349 O ASP A 90 5.641 7.109 -3.869 1.00 0.00 O ATOM 1350 CB ASP A 90 8.343 7.830 -5.461 1.00 0.00 C ATOM 1351 CG ASP A 90 8.964 6.530 -4.945 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.524 6.081 -3.864 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.863 6.014 -5.644 1.00 0.00 O ATOM 0 H ASP A 90 6.755 9.736 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 90 6.777 7.420 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.905 8.161 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.459 8.599 -4.697 1.00 0.00 H new ATOM 1358 N PRO A 91 6.284 5.430 -5.292 1.00 0.00 N ATOM 1359 CA PRO A 91 5.697 4.366 -4.495 1.00 0.00 C ATOM 1360 C PRO A 91 6.545 4.079 -3.254 1.00 0.00 C ATOM 1361 O PRO A 91 7.596 3.447 -3.348 1.00 0.00 O ATOM 1362 CB PRO A 91 5.602 3.176 -5.437 1.00 0.00 C ATOM 1363 CG PRO A 91 6.559 3.472 -6.580 1.00 0.00 C ATOM 1364 CD PRO A 91 6.937 4.943 -6.503 1.00 0.00 C ATOM 0 HA PRO A 91 4.714 4.627 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.876 2.252 -4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.583 3.048 -5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.448 2.845 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.090 3.248 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.018 5.072 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.595 5.487 -7.384 1.00 0.00 H new ATOM 1372 N SER A 92 6.056 4.558 -2.119 1.00 0.00 N ATOM 1373 CA SER A 92 6.755 4.361 -0.861 1.00 0.00 C ATOM 1374 C SER A 92 7.405 2.977 -0.834 1.00 0.00 C ATOM 1375 O SER A 92 6.967 2.068 -1.538 1.00 0.00 O ATOM 1376 CB SER A 92 5.806 4.525 0.328 1.00 0.00 C ATOM 1377 OG SER A 92 4.656 3.692 0.212 1.00 0.00 O ATOM 0 H SER A 92 5.184 5.082 -2.045 1.00 0.00 H new ATOM 0 HA SER A 92 7.532 5.121 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.336 4.286 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.493 5.567 0.401 1.00 0.00 H new ATOM 0 HG SER A 92 4.004 3.937 0.901 1.00 0.00 H new ATOM 1383 N ASN A 93 8.440 2.859 -0.015 1.00 0.00 N ATOM 1384 CA ASN A 93 9.154 1.601 0.112 1.00 0.00 C ATOM 1385 C ASN A 93 8.163 0.442 -0.006 1.00 0.00 C ATOM 1386 O ASN A 93 6.992 0.584 0.343 1.00 0.00 O ATOM 1387 CB ASN A 93 9.845 1.495 1.473 1.00 0.00 C ATOM 1388 CG ASN A 93 9.009 2.164 2.566 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.823 3.369 2.590 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.518 1.317 3.466 1.00 0.00 N ATOM 0 H ASN A 93 8.801 3.615 0.567 1.00 0.00 H new ATOM 0 HA ASN A 93 9.904 1.558 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.005 0.446 1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.828 1.964 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.947 1.665 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.713 0.319 3.386 1.00 0.00 H new ATOM 1397 N THR A 94 8.668 -0.680 -0.499 1.00 0.00 N ATOM 1398 CA THR A 94 7.841 -1.863 -0.667 1.00 0.00 C ATOM 1399 C THR A 94 7.712 -2.616 0.658 1.00 0.00 C ATOM 1400 O THR A 94 8.657 -2.664 1.444 1.00 0.00 O ATOM 1401 CB THR A 94 8.447 -2.707 -1.790 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.535 -1.808 -2.892 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.495 -3.802 -2.278 1.00 0.00 C ATOM 0 H THR A 94 9.640 -0.795 -0.787 1.00 0.00 H new ATOM 0 HA THR A 94 6.823 -1.597 -0.953 1.00 0.00 H new ATOM 0 HB THR A 94 9.375 -3.161 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.920 -2.273 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.973 -4.372 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.253 -4.469 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.580 -3.346 -2.657 1.00 0.00 H new ATOM 1411 N ALA A 95 6.533 -3.186 0.866 1.00 0.00 N ATOM 1412 CA ALA A 95 6.268 -3.935 2.082 1.00 0.00 C ATOM 1413 C ALA A 95 5.549 -5.237 1.727 1.00 0.00 C ATOM 1414 O ALA A 95 4.780 -5.285 0.768 1.00 0.00 O ATOM 1415 CB ALA A 95 5.461 -3.068 3.050 1.00 0.00 C ATOM 0 H ALA A 95 5.751 -3.144 0.212 1.00 0.00 H new ATOM 0 HA ALA A 95 7.200 -4.199 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.262 -3.630 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.028 -2.170 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.517 -2.786 2.585 1.00 0.00 H new ATOM 1421 N ASN A 96 5.824 -6.263 2.520 1.00 0.00 N ATOM 1422 CA ASN A 96 5.212 -7.563 2.302 1.00 0.00 C ATOM 1423 C ASN A 96 5.061 -8.282 3.644 1.00 0.00 C ATOM 1424 O ASN A 96 5.658 -7.877 4.640 1.00 0.00 O ATOM 1425 CB ASN A 96 6.081 -8.434 1.393 1.00 0.00 C ATOM 1426 CG ASN A 96 7.514 -7.903 1.330 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.841 -7.016 0.559 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.348 -8.493 2.182 1.00 0.00 N ATOM 0 H ASN A 96 6.462 -6.220 3.314 1.00 0.00 H new ATOM 0 HA ASN A 96 4.242 -7.405 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.086 -9.460 1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.654 -8.458 0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.327 -8.209 2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.009 -9.230 2.800 1.00 0.00 H new ATOM 1435 N VAL A 97 4.259 -9.337 3.626 1.00 0.00 N ATOM 1436 CA VAL A 97 4.021 -10.116 4.829 1.00 0.00 C ATOM 1437 C VAL A 97 4.132 -11.606 4.496 1.00 0.00 C ATOM 1438 O VAL A 97 3.636 -12.054 3.464 1.00 0.00 O ATOM 1439 CB VAL A 97 2.669 -9.739 5.439 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.330 -8.275 5.155 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.562 -10.667 4.934 1.00 0.00 C ATOM 0 H VAL A 97 3.766 -9.670 2.797 1.00 0.00 H new ATOM 0 HA VAL A 97 4.776 -9.893 5.583 1.00 0.00 H new ATOM 0 HB VAL A 97 2.742 -9.862 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.365 -8.032 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.099 -7.633 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.285 -8.114 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.612 -10.378 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.489 -10.590 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.795 -11.695 5.210 1.00 0.00 H new ATOM 1451 N SER A 98 4.787 -12.332 5.391 1.00 0.00 N ATOM 1452 CA SER A 98 4.970 -13.761 5.205 1.00 0.00 C ATOM 1453 C SER A 98 3.734 -14.515 5.701 1.00 0.00 C ATOM 1454 O SER A 98 3.030 -14.043 6.593 1.00 0.00 O ATOM 1455 CB SER A 98 6.221 -14.256 5.933 1.00 0.00 C ATOM 1456 OG SER A 98 6.569 -15.585 5.555 1.00 0.00 O ATOM 0 H SER A 98 5.197 -11.957 6.246 1.00 0.00 H new ATOM 0 HA SER A 98 5.103 -13.953 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.054 -13.588 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.053 -14.218 7.009 1.00 0.00 H new ATOM 0 HG SER A 98 7.374 -15.863 6.040 1.00 0.00 H new