USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.921 USER MOD Single : A 25 SER OG : rot -1:sc= 0.825 USER MOD Single : A 35 SER OG : rot 5:sc= 0.259 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= 1.53! (180deg=0.439) USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= -0.664 (180deg=-0.668) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 164:sc= -0.582 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.186 K(o=-0.19,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 86:sc= 0.864 USER MOD Single : A 80 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.54) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.27) USER MOD Single : A 96 HIS : no HE2:sc= -1.25 X(o=-1.2,f=-1.7) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 98 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.712 7.052 5.790 1.00 0.00 N ATOM 67 CA PRO A 8 13.835 7.145 4.333 1.00 0.00 C ATOM 68 C PRO A 8 12.765 8.040 3.717 1.00 0.00 C ATOM 69 O PRO A 8 11.811 8.453 4.377 1.00 0.00 O ATOM 70 CB PRO A 8 13.653 5.698 3.868 1.00 0.00 C ATOM 71 CG PRO A 8 12.851 5.053 4.945 1.00 0.00 C ATOM 72 CD PRO A 8 13.267 5.718 6.227 1.00 0.00 C ATOM 0 HA PRO A 8 14.784 7.588 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.137 5.652 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.614 5.200 3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.783 5.182 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.040 3.980 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.439 5.782 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.068 5.170 6.723 1.00 0.00 H new ATOM 80 N PRO A 9 12.925 8.349 2.421 1.00 0.00 N ATOM 81 CA PRO A 9 11.981 9.198 1.688 1.00 0.00 C ATOM 82 C PRO A 9 10.639 8.511 1.460 1.00 0.00 C ATOM 83 O PRO A 9 10.582 7.307 1.210 1.00 0.00 O ATOM 84 CB PRO A 9 12.689 9.445 0.353 1.00 0.00 C ATOM 85 CG PRO A 9 13.600 8.278 0.186 1.00 0.00 C ATOM 86 CD PRO A 9 14.038 7.893 1.573 1.00 0.00 C ATOM 0 HA PRO A 9 11.743 10.110 2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.975 9.510 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.245 10.382 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.088 7.451 -0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.457 8.537 -0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.196 6.818 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.976 8.376 1.847 1.00 0.00 H new ATOM 94 N ALA A 10 9.562 9.284 1.547 1.00 0.00 N ATOM 95 CA ALA A 10 8.220 8.749 1.347 1.00 0.00 C ATOM 96 C ALA A 10 8.103 8.049 -0.002 1.00 0.00 C ATOM 97 O ALA A 10 8.281 8.667 -1.052 1.00 0.00 O ATOM 98 CB ALA A 10 7.187 9.861 1.458 1.00 0.00 C ATOM 0 H ALA A 10 9.592 10.282 1.754 1.00 0.00 H new ATOM 0 HA ALA A 10 8.030 8.012 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.190 9.448 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.245 10.315 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.385 10.618 0.699 1.00 0.00 H new ATOM 104 N VAL A 11 7.805 6.754 0.032 1.00 0.00 N ATOM 105 CA VAL A 11 7.664 5.969 -1.188 1.00 0.00 C ATOM 106 C VAL A 11 6.931 6.758 -2.268 1.00 0.00 C ATOM 107 O VAL A 11 5.934 7.426 -1.994 1.00 0.00 O ATOM 108 CB VAL A 11 6.906 4.654 -0.926 1.00 0.00 C ATOM 109 CG1 VAL A 11 6.827 3.821 -2.196 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.573 3.870 0.195 1.00 0.00 C ATOM 0 H VAL A 11 7.657 6.226 0.892 1.00 0.00 H new ATOM 0 HA VAL A 11 8.672 5.736 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 11 5.890 4.896 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.288 2.896 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.302 4.384 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.834 3.586 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.025 2.944 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.600 3.637 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.572 4.467 1.107 1.00 0.00 H new ATOM 120 N SER A 12 7.433 6.676 -3.496 1.00 0.00 N ATOM 121 CA SER A 12 6.828 7.385 -4.617 1.00 0.00 C ATOM 122 C SER A 12 6.687 6.468 -5.828 1.00 0.00 C ATOM 123 O SER A 12 7.099 5.308 -5.793 1.00 0.00 O ATOM 124 CB SER A 12 7.667 8.610 -4.986 1.00 0.00 C ATOM 125 OG SER A 12 8.908 8.226 -5.552 1.00 0.00 O ATOM 0 H SER A 12 8.257 6.126 -3.740 1.00 0.00 H new ATOM 0 HA SER A 12 5.834 7.712 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.118 9.231 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.841 9.217 -4.097 1.00 0.00 H new ATOM 0 HG SER A 12 9.425 9.027 -5.781 1.00 0.00 H new ATOM 131 N ASP A 13 6.103 6.996 -6.898 1.00 0.00 N ATOM 132 CA ASP A 13 5.909 6.227 -8.121 1.00 0.00 C ATOM 133 C ASP A 13 5.406 4.822 -7.805 1.00 0.00 C ATOM 134 O ASP A 13 5.998 3.829 -8.231 1.00 0.00 O ATOM 135 CB ASP A 13 7.215 6.148 -8.913 1.00 0.00 C ATOM 136 CG ASP A 13 7.437 7.367 -9.787 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.800 7.453 -10.858 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.246 8.235 -9.400 1.00 0.00 O ATOM 0 H ASP A 13 5.756 7.954 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 13 5.158 6.736 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.051 6.044 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.205 5.254 -9.537 1.00 0.00 H new ATOM 143 N ILE A 14 4.311 4.745 -7.056 1.00 0.00 N ATOM 144 CA ILE A 14 3.729 3.462 -6.683 1.00 0.00 C ATOM 145 C ILE A 14 2.766 2.963 -7.755 1.00 0.00 C ATOM 146 O ILE A 14 1.629 3.424 -7.846 1.00 0.00 O ATOM 147 CB ILE A 14 2.982 3.552 -5.340 1.00 0.00 C ATOM 148 CG1 ILE A 14 3.937 3.990 -4.228 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.342 2.214 -4.999 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.236 4.588 -3.029 1.00 0.00 C ATOM 0 H ILE A 14 3.809 5.556 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 14 4.555 2.758 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 14 2.193 4.298 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.523 3.130 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.639 4.721 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.818 2.294 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.634 1.939 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.115 1.449 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.975 4.875 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.672 5.468 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.555 3.852 -2.602 1.00 0.00 H new ATOM 162 N ARG A 15 3.230 2.016 -8.565 1.00 0.00 N ATOM 163 CA ARG A 15 2.410 1.453 -9.630 1.00 0.00 C ATOM 164 C ARG A 15 1.618 0.249 -9.129 1.00 0.00 C ATOM 165 O ARG A 15 1.992 -0.386 -8.143 1.00 0.00 O ATOM 166 CB ARG A 15 3.286 1.043 -10.815 1.00 0.00 C ATOM 167 CG ARG A 15 3.738 2.213 -11.673 1.00 0.00 C ATOM 168 CD ARG A 15 4.272 1.745 -13.018 1.00 0.00 C ATOM 169 NE ARG A 15 4.137 2.772 -14.048 1.00 0.00 N ATOM 170 CZ ARG A 15 4.501 2.595 -15.313 1.00 0.00 C ATOM 171 NH1 ARG A 15 5.018 1.438 -15.702 1.00 0.00 N ATOM 172 NH2 ARG A 15 4.346 3.577 -16.192 1.00 0.00 N ATOM 0 H ARG A 15 4.169 1.623 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 15 1.706 2.219 -9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.164 0.517 -10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.734 0.339 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.902 2.895 -11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.512 2.773 -11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.322 1.470 -12.915 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.737 0.848 -13.328 1.00 0.00 H new ATOM 0 HE ARG A 15 3.742 3.674 -13.781 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.137 0.681 -15.029 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.297 1.305 -16.674 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.947 4.468 -15.896 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.626 3.441 -17.163 1.00 0.00 H new ATOM 186 N VAL A 16 0.521 -0.058 -9.814 1.00 0.00 N ATOM 187 CA VAL A 16 -0.324 -1.186 -9.439 1.00 0.00 C ATOM 188 C VAL A 16 -0.496 -2.155 -10.603 1.00 0.00 C ATOM 189 O VAL A 16 -1.074 -1.808 -11.634 1.00 0.00 O ATOM 190 CB VAL A 16 -1.713 -0.715 -8.968 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.553 -1.899 -8.514 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.577 0.311 -7.853 1.00 0.00 C ATOM 0 H VAL A 16 0.197 0.459 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 16 0.177 -1.696 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.221 -0.241 -9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.531 -1.547 -8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.678 -2.595 -9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.053 -2.405 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.568 0.633 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.050 -0.136 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.016 1.172 -8.217 1.00 0.00 H new ATOM 202 N THR A 17 0.008 -3.373 -10.432 1.00 0.00 N ATOM 203 CA THR A 17 -0.089 -4.393 -11.469 1.00 0.00 C ATOM 204 C THR A 17 -1.009 -5.529 -11.037 1.00 0.00 C ATOM 205 O THR A 17 -1.218 -5.753 -9.845 1.00 0.00 O ATOM 206 CB THR A 17 1.295 -4.972 -11.818 1.00 0.00 C ATOM 207 OG1 THR A 17 1.249 -5.611 -13.099 1.00 0.00 O ATOM 208 CG2 THR A 17 1.745 -5.972 -10.763 1.00 0.00 C ATOM 0 H THR A 17 0.488 -3.677 -9.585 1.00 0.00 H new ATOM 0 HA THR A 17 -0.505 -3.908 -12.352 1.00 0.00 H new ATOM 0 HB THR A 17 2.012 -4.151 -11.847 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.133 -5.975 -13.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.725 -6.367 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.806 -5.476 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.027 -6.790 -10.707 1.00 0.00 H new ATOM 216 N ARG A 18 -1.556 -6.245 -12.014 1.00 0.00 N ATOM 217 CA ARG A 18 -2.455 -7.358 -11.735 1.00 0.00 C ATOM 218 C ARG A 18 -3.644 -6.900 -10.896 1.00 0.00 C ATOM 219 O ARG A 18 -3.935 -7.475 -9.847 1.00 0.00 O ATOM 220 CB ARG A 18 -1.705 -8.476 -11.008 1.00 0.00 C ATOM 221 CG ARG A 18 -0.902 -9.374 -11.935 1.00 0.00 C ATOM 222 CD ARG A 18 -1.809 -10.254 -12.781 1.00 0.00 C ATOM 223 NE ARG A 18 -2.112 -11.522 -12.122 1.00 0.00 N ATOM 224 CZ ARG A 18 -3.001 -12.395 -12.582 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.671 -12.139 -13.697 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.222 -13.527 -11.926 1.00 0.00 N ATOM 0 H ARG A 18 -1.392 -6.074 -13.006 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.829 -7.738 -12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.033 -8.033 -10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.422 -9.085 -10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.277 -8.762 -12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.232 -10.000 -11.346 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.738 -9.723 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.331 -10.450 -13.741 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.614 -11.749 -11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.504 -11.270 -14.204 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.353 -12.811 -14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.709 -13.727 -11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.905 -14.197 -12.280 1.00 0.00 H new ATOM 240 N SER A 19 -4.327 -5.861 -11.366 1.00 0.00 N ATOM 241 CA SER A 19 -5.482 -5.322 -10.657 1.00 0.00 C ATOM 242 C SER A 19 -6.690 -6.242 -10.808 1.00 0.00 C ATOM 243 O SER A 19 -7.235 -6.395 -11.902 1.00 0.00 O ATOM 244 CB SER A 19 -5.822 -3.925 -11.180 1.00 0.00 C ATOM 245 OG SER A 19 -4.964 -2.948 -10.620 1.00 0.00 O ATOM 0 H SER A 19 -4.101 -5.376 -12.234 1.00 0.00 H new ATOM 0 HA SER A 19 -5.229 -5.254 -9.599 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.736 -3.909 -12.266 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.858 -3.685 -10.939 1.00 0.00 H new ATOM 0 HG SER A 19 -5.201 -2.064 -10.972 1.00 0.00 H new ATOM 251 N SER A 20 -7.103 -6.854 -9.703 1.00 0.00 N ATOM 252 CA SER A 20 -8.243 -7.762 -9.712 1.00 0.00 C ATOM 253 C SER A 20 -9.370 -7.228 -8.833 1.00 0.00 C ATOM 254 O SER A 20 -9.145 -6.505 -7.862 1.00 0.00 O ATOM 255 CB SER A 20 -7.820 -9.151 -9.229 1.00 0.00 C ATOM 256 OG SER A 20 -6.874 -9.731 -10.111 1.00 0.00 O ATOM 0 H SER A 20 -6.665 -6.737 -8.789 1.00 0.00 H new ATOM 0 HA SER A 20 -8.608 -7.836 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.392 -9.077 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.696 -9.796 -9.154 1.00 0.00 H new ATOM 0 HG SER A 20 -6.618 -10.617 -9.780 1.00 0.00 H new ATOM 262 N PRO A 21 -10.614 -7.591 -9.181 1.00 0.00 N ATOM 263 CA PRO A 21 -11.801 -7.160 -8.437 1.00 0.00 C ATOM 264 C PRO A 21 -11.891 -7.811 -7.061 1.00 0.00 C ATOM 265 O PRO A 21 -12.815 -7.539 -6.294 1.00 0.00 O ATOM 266 CB PRO A 21 -12.961 -7.622 -9.323 1.00 0.00 C ATOM 267 CG PRO A 21 -12.410 -8.764 -10.105 1.00 0.00 C ATOM 268 CD PRO A 21 -10.956 -8.451 -10.326 1.00 0.00 C ATOM 0 HA PRO A 21 -11.794 -6.087 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.818 -7.930 -8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.301 -6.821 -9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.529 -9.702 -9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.934 -8.876 -11.054 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.349 -9.356 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.795 -7.940 -11.275 1.00 0.00 H new ATOM 276 N SER A 22 -10.925 -8.671 -6.754 1.00 0.00 N ATOM 277 CA SER A 22 -10.898 -9.363 -5.471 1.00 0.00 C ATOM 278 C SER A 22 -9.537 -9.208 -4.799 1.00 0.00 C ATOM 279 O SER A 22 -9.334 -9.656 -3.671 1.00 0.00 O ATOM 280 CB SER A 22 -11.219 -10.847 -5.660 1.00 0.00 C ATOM 281 OG SER A 22 -12.415 -11.019 -6.400 1.00 0.00 O ATOM 0 H SER A 22 -10.151 -8.905 -7.376 1.00 0.00 H new ATOM 0 HA SER A 22 -11.655 -8.914 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.394 -11.338 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.317 -11.328 -4.687 1.00 0.00 H new ATOM 0 HG SER A 22 -12.598 -11.976 -6.509 1.00 0.00 H new ATOM 287 N SER A 23 -8.607 -8.568 -5.502 1.00 0.00 N ATOM 288 CA SER A 23 -7.263 -8.356 -4.976 1.00 0.00 C ATOM 289 C SER A 23 -6.660 -7.069 -5.530 1.00 0.00 C ATOM 290 O SER A 23 -7.122 -6.538 -6.541 1.00 0.00 O ATOM 291 CB SER A 23 -6.364 -9.545 -5.323 1.00 0.00 C ATOM 292 OG SER A 23 -5.844 -9.425 -6.636 1.00 0.00 O ATOM 0 H SER A 23 -8.759 -8.188 -6.436 1.00 0.00 H new ATOM 0 HA SER A 23 -7.333 -8.266 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.544 -9.606 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.932 -10.472 -5.236 1.00 0.00 H new ATOM 0 HG SER A 23 -5.272 -10.196 -6.833 1.00 0.00 H new ATOM 298 N LEU A 24 -5.626 -6.572 -4.861 1.00 0.00 N ATOM 299 CA LEU A 24 -4.957 -5.347 -5.285 1.00 0.00 C ATOM 300 C LEU A 24 -3.465 -5.406 -4.977 1.00 0.00 C ATOM 301 O LEU A 24 -3.057 -5.340 -3.818 1.00 0.00 O ATOM 302 CB LEU A 24 -5.585 -4.135 -4.594 1.00 0.00 C ATOM 303 CG LEU A 24 -6.775 -3.495 -5.310 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.527 -2.566 -4.370 1.00 0.00 C ATOM 305 CD2 LEU A 24 -6.310 -2.742 -6.548 1.00 0.00 C ATOM 0 H LEU A 24 -5.232 -6.998 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.082 -5.248 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.906 -4.437 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.814 -3.376 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.454 -4.287 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.370 -2.120 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.893 -3.133 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.858 -1.778 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.170 -2.293 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.610 -1.959 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.817 -3.434 -7.231 1.00 0.00 H new ATOM 317 N SER A 25 -2.654 -5.528 -6.023 1.00 0.00 N ATOM 318 CA SER A 25 -1.206 -5.597 -5.865 1.00 0.00 C ATOM 319 C SER A 25 -0.610 -4.201 -5.707 1.00 0.00 C ATOM 320 O SER A 25 -1.286 -3.196 -5.929 1.00 0.00 O ATOM 321 CB SER A 25 -0.573 -6.302 -7.066 1.00 0.00 C ATOM 322 OG SER A 25 0.616 -6.976 -6.693 1.00 0.00 O ATOM 0 H SER A 25 -2.975 -5.581 -6.990 1.00 0.00 H new ATOM 0 HA SER A 25 -0.991 -6.169 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.281 -7.015 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.352 -5.572 -7.845 1.00 0.00 H new ATOM 0 HG SER A 25 0.790 -6.830 -5.740 1.00 0.00 H new ATOM 328 N LEU A 26 0.661 -4.148 -5.324 1.00 0.00 N ATOM 329 CA LEU A 26 1.351 -2.876 -5.136 1.00 0.00 C ATOM 330 C LEU A 26 2.855 -3.040 -5.324 1.00 0.00 C ATOM 331 O LEU A 26 3.447 -4.012 -4.857 1.00 0.00 O ATOM 332 CB LEU A 26 1.058 -2.315 -3.743 1.00 0.00 C ATOM 333 CG LEU A 26 -0.419 -2.167 -3.377 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.582 -1.996 -1.874 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.037 -0.990 -4.118 1.00 0.00 C ATOM 0 H LEU A 26 1.235 -4.971 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 26 0.983 -2.177 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.531 -2.963 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.532 -1.337 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.941 -3.075 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.640 -1.892 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.177 -2.869 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.046 -1.104 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.088 -0.900 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.512 -0.074 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.954 -1.152 -5.193 1.00 0.00 H new ATOM 347 N ALA A 27 3.468 -2.082 -6.011 1.00 0.00 N ATOM 348 CA ALA A 27 4.905 -2.117 -6.257 1.00 0.00 C ATOM 349 C ALA A 27 5.466 -0.711 -6.435 1.00 0.00 C ATOM 350 O ALA A 27 4.965 0.070 -7.244 1.00 0.00 O ATOM 351 CB ALA A 27 5.209 -2.968 -7.482 1.00 0.00 C ATOM 0 H ALA A 27 2.992 -1.272 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 27 5.387 -2.564 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.285 -2.986 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.851 -3.984 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.709 -2.544 -8.353 1.00 0.00 H new ATOM 357 N TRP A 28 6.508 -0.395 -5.674 1.00 0.00 N ATOM 358 CA TRP A 28 7.137 0.919 -5.747 1.00 0.00 C ATOM 359 C TRP A 28 8.544 0.817 -6.325 1.00 0.00 C ATOM 360 O TRP A 28 9.086 -0.277 -6.473 1.00 0.00 O ATOM 361 CB TRP A 28 7.187 1.562 -4.360 1.00 0.00 C ATOM 362 CG TRP A 28 7.283 0.563 -3.246 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.310 0.425 -2.356 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.316 -0.436 -2.905 1.00 0.00 C ATOM 365 NE1 TRP A 28 8.039 -0.601 -1.483 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.822 -1.144 -1.798 1.00 0.00 C ATOM 367 CE3 TRP A 28 5.072 -0.800 -3.427 1.00 0.00 C ATOM 368 CZ2 TRP A 28 6.126 -2.195 -1.206 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.382 -1.843 -2.838 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.910 -2.530 -1.736 1.00 0.00 C ATOM 0 H TRP A 28 6.935 -1.030 -5.000 1.00 0.00 H new ATOM 0 HA TRP A 28 6.537 1.545 -6.408 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.043 2.235 -4.310 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.294 2.171 -4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.203 1.032 -2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.646 -0.908 -0.723 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.657 -0.276 -4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.532 -2.727 -0.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.420 -2.133 -3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.346 -3.339 -1.297 1.00 0.00 H new ATOM 381 N ALA A 29 9.131 1.965 -6.649 1.00 0.00 N ATOM 382 CA ALA A 29 10.477 2.004 -7.208 1.00 0.00 C ATOM 383 C ALA A 29 11.521 2.192 -6.113 1.00 0.00 C ATOM 384 O ALA A 29 11.545 3.219 -5.433 1.00 0.00 O ATOM 385 CB ALA A 29 10.587 3.115 -8.241 1.00 0.00 C ATOM 0 H ALA A 29 8.695 2.880 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 29 10.669 1.048 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.597 3.133 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.873 2.936 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.370 4.073 -7.769 1.00 0.00 H new ATOM 391 N VAL A 30 12.383 1.194 -5.946 1.00 0.00 N ATOM 392 CA VAL A 30 13.430 1.250 -4.933 1.00 0.00 C ATOM 393 C VAL A 30 14.000 2.659 -4.809 1.00 0.00 C ATOM 394 O VAL A 30 14.842 3.087 -5.599 1.00 0.00 O ATOM 395 CB VAL A 30 14.575 0.271 -5.254 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.686 0.391 -4.222 1.00 0.00 C ATOM 397 CG2 VAL A 30 14.052 -1.155 -5.324 1.00 0.00 C ATOM 0 H VAL A 30 12.377 0.337 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 30 12.971 0.962 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 30 14.989 0.530 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.486 -0.308 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 30 16.079 1.408 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.290 0.160 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.874 -1.833 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.611 -1.428 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.295 -1.227 -6.105 1.00 0.00 H new ATOM 407 N PRO A 31 13.533 3.399 -3.793 1.00 0.00 N ATOM 408 CA PRO A 31 13.983 4.771 -3.540 1.00 0.00 C ATOM 409 C PRO A 31 15.425 4.826 -3.046 1.00 0.00 C ATOM 410 O PRO A 31 16.029 3.796 -2.749 1.00 0.00 O ATOM 411 CB PRO A 31 13.026 5.264 -2.452 1.00 0.00 C ATOM 412 CG PRO A 31 12.571 4.026 -1.759 1.00 0.00 C ATOM 413 CD PRO A 31 12.529 2.953 -2.812 1.00 0.00 C ATOM 0 HA PRO A 31 13.969 5.378 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.527 5.943 -1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.185 5.809 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.254 3.756 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.589 4.169 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.777 1.975 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.539 2.868 -3.260 1.00 0.00 H new ATOM 421 N ARG A 32 15.970 6.035 -2.960 1.00 0.00 N ATOM 422 CA ARG A 32 17.341 6.224 -2.503 1.00 0.00 C ATOM 423 C ARG A 32 17.377 6.549 -1.012 1.00 0.00 C ATOM 424 O ARG A 32 17.247 7.707 -0.616 1.00 0.00 O ATOM 425 CB ARG A 32 18.016 7.344 -3.296 1.00 0.00 C ATOM 426 CG ARG A 32 18.464 6.921 -4.686 1.00 0.00 C ATOM 427 CD ARG A 32 19.461 7.907 -5.275 1.00 0.00 C ATOM 428 NE ARG A 32 19.424 7.917 -6.735 1.00 0.00 N ATOM 429 CZ ARG A 32 20.292 8.584 -7.487 1.00 0.00 C ATOM 430 NH1 ARG A 32 21.261 9.290 -6.920 1.00 0.00 N ATOM 431 NH2 ARG A 32 20.194 8.544 -8.810 1.00 0.00 N ATOM 0 H ARG A 32 15.483 6.898 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 32 17.884 5.293 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.325 8.182 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.881 7.703 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.916 5.930 -4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.596 6.844 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.246 8.908 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.466 7.650 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 32 18.692 7.383 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 32 21.341 9.322 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 32 21.926 9.801 -7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.451 8.001 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.861 9.057 -9.387 1.00 0.00 H new ATOM 445 N ALA A 33 17.553 5.519 -0.191 1.00 0.00 N ATOM 446 CA ALA A 33 17.608 5.696 1.255 1.00 0.00 C ATOM 447 C ALA A 33 18.779 6.586 1.656 1.00 0.00 C ATOM 448 O ALA A 33 19.713 6.809 0.885 1.00 0.00 O ATOM 449 CB ALA A 33 17.708 4.345 1.948 1.00 0.00 C ATOM 0 H ALA A 33 17.660 4.554 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 33 16.688 6.188 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.748 4.492 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.836 3.741 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 33 18.612 3.833 1.618 1.00 0.00 H new ATOM 455 N PRO A 34 18.731 7.109 2.890 1.00 0.00 N ATOM 456 CA PRO A 34 19.781 7.984 3.421 1.00 0.00 C ATOM 457 C PRO A 34 21.083 7.234 3.683 1.00 0.00 C ATOM 458 O PRO A 34 22.171 7.792 3.541 1.00 0.00 O ATOM 459 CB PRO A 34 19.185 8.496 4.734 1.00 0.00 C ATOM 460 CG PRO A 34 18.207 7.449 5.140 1.00 0.00 C ATOM 461 CD PRO A 34 17.648 6.886 3.863 1.00 0.00 C ATOM 0 HA PRO A 34 20.046 8.776 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 34 19.956 8.633 5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.698 9.461 4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 34 18.691 6.671 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.416 7.873 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.408 5.827 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.731 7.395 3.567 1.00 0.00 H new ATOM 469 N SER A 35 20.964 5.967 4.065 1.00 0.00 N ATOM 470 CA SER A 35 22.132 5.142 4.350 1.00 0.00 C ATOM 471 C SER A 35 21.845 3.673 4.053 1.00 0.00 C ATOM 472 O SER A 35 20.720 3.202 4.220 1.00 0.00 O ATOM 473 CB SER A 35 22.554 5.305 5.811 1.00 0.00 C ATOM 474 OG SER A 35 23.112 6.587 6.040 1.00 0.00 O ATOM 0 H SER A 35 20.071 5.489 4.184 1.00 0.00 H new ATOM 0 HA SER A 35 22.946 5.473 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 35 21.691 5.159 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 23.282 4.536 6.071 1.00 0.00 H new ATOM 0 HG SER A 35 23.030 7.129 5.228 1.00 0.00 H new ATOM 480 N GLY A 36 22.871 2.953 3.610 1.00 0.00 N ATOM 481 CA GLY A 36 22.710 1.545 3.297 1.00 0.00 C ATOM 482 C GLY A 36 21.482 1.277 2.449 1.00 0.00 C ATOM 483 O GLY A 36 21.058 2.132 1.672 1.00 0.00 O ATOM 0 H GLY A 36 23.811 3.320 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.596 1.189 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.639 0.976 4.224 1.00 0.00 H new ATOM 487 N ALA A 37 20.912 0.086 2.598 1.00 0.00 N ATOM 488 CA ALA A 37 19.725 -0.292 1.840 1.00 0.00 C ATOM 489 C ALA A 37 18.453 0.003 2.628 1.00 0.00 C ATOM 490 O ALA A 37 18.510 0.447 3.775 1.00 0.00 O ATOM 491 CB ALA A 37 19.786 -1.765 1.465 1.00 0.00 C ATOM 0 H ALA A 37 21.252 -0.633 3.236 1.00 0.00 H new ATOM 0 HA ALA A 37 19.702 0.304 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.894 -2.034 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.671 -1.949 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.837 -2.369 2.371 1.00 0.00 H new ATOM 497 N VAL A 38 17.306 -0.246 2.005 1.00 0.00 N ATOM 498 CA VAL A 38 16.019 -0.007 2.649 1.00 0.00 C ATOM 499 C VAL A 38 15.475 -1.284 3.279 1.00 0.00 C ATOM 500 O VAL A 38 15.540 -2.360 2.684 1.00 0.00 O ATOM 501 CB VAL A 38 14.984 0.541 1.648 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.626 0.696 2.315 1.00 0.00 C ATOM 503 CG2 VAL A 38 15.456 1.864 1.065 1.00 0.00 C ATOM 0 H VAL A 38 17.241 -0.613 1.056 1.00 0.00 H new ATOM 0 HA VAL A 38 16.187 0.736 3.429 1.00 0.00 H new ATOM 0 HB VAL A 38 14.881 -0.173 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.908 1.084 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.287 -0.274 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.709 1.389 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.713 2.237 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.590 2.589 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.404 1.716 0.548 1.00 0.00 H new ATOM 513 N LEU A 39 14.937 -1.157 4.487 1.00 0.00 N ATOM 514 CA LEU A 39 14.379 -2.302 5.200 1.00 0.00 C ATOM 515 C LEU A 39 12.941 -2.566 4.765 1.00 0.00 C ATOM 516 O LEU A 39 12.398 -1.857 3.917 1.00 0.00 O ATOM 517 CB LEU A 39 14.431 -2.062 6.709 1.00 0.00 C ATOM 518 CG LEU A 39 15.812 -1.764 7.294 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.694 -1.328 8.746 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.718 -2.981 7.173 1.00 0.00 C ATOM 0 H LEU A 39 14.875 -0.274 4.993 1.00 0.00 H new ATOM 0 HA LEU A 39 14.980 -3.178 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.770 -1.229 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.028 -2.942 7.211 1.00 0.00 H new ATOM 0 HG LEU A 39 16.257 -0.947 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.687 -1.120 9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.083 -0.428 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.228 -2.123 9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.696 -2.750 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 39 16.278 -3.818 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.830 -3.248 6.122 1.00 0.00 H new ATOM 532 N ASP A 40 12.329 -3.588 5.352 1.00 0.00 N ATOM 533 CA ASP A 40 10.953 -3.945 5.028 1.00 0.00 C ATOM 534 C ASP A 40 10.094 -2.695 4.856 1.00 0.00 C ATOM 535 O ASP A 40 10.440 -1.620 5.346 1.00 0.00 O ATOM 536 CB ASP A 40 10.364 -4.837 6.121 1.00 0.00 C ATOM 537 CG ASP A 40 10.841 -4.447 7.507 1.00 0.00 C ATOM 538 OD1 ASP A 40 11.929 -4.908 7.910 1.00 0.00 O ATOM 539 OD2 ASP A 40 10.126 -3.682 8.188 1.00 0.00 O ATOM 0 H ASP A 40 12.764 -4.185 6.055 1.00 0.00 H new ATOM 0 HA ASP A 40 10.958 -4.494 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.276 -4.780 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.636 -5.874 5.925 1.00 0.00 H new ATOM 544 N TYR A 41 8.975 -2.845 4.157 1.00 0.00 N ATOM 545 CA TYR A 41 8.069 -1.728 3.917 1.00 0.00 C ATOM 546 C TYR A 41 6.750 -1.928 4.657 1.00 0.00 C ATOM 547 O TYR A 41 6.443 -3.029 5.113 1.00 0.00 O ATOM 548 CB TYR A 41 7.807 -1.569 2.418 1.00 0.00 C ATOM 549 CG TYR A 41 9.060 -1.333 1.606 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.898 -2.387 1.262 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.407 -0.055 1.184 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.044 -2.175 0.521 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.550 0.165 0.441 1.00 0.00 C ATOM 554 CZ TYR A 41 11.366 -0.898 0.112 1.00 0.00 C ATOM 555 OH TYR A 41 12.507 -0.682 -0.627 1.00 0.00 O ATOM 0 H TYR A 41 8.673 -3.729 3.747 1.00 0.00 H new ATOM 0 HA TYR A 41 8.543 -0.822 4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.308 -2.465 2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.122 -0.735 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.649 -3.389 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.772 0.780 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.685 -3.005 0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.804 1.164 0.119 1.00 0.00 H new ATOM 0 HH TYR A 41 12.587 0.272 -0.835 1.00 0.00 H new ATOM 565 N GLU A 42 5.974 -0.855 4.771 1.00 0.00 N ATOM 566 CA GLU A 42 4.688 -0.912 5.455 1.00 0.00 C ATOM 567 C GLU A 42 3.557 -0.478 4.527 1.00 0.00 C ATOM 568 O GLU A 42 3.555 0.642 4.015 1.00 0.00 O ATOM 569 CB GLU A 42 4.708 -0.024 6.702 1.00 0.00 C ATOM 570 CG GLU A 42 3.442 -0.118 7.537 1.00 0.00 C ATOM 571 CD GLU A 42 2.240 0.495 6.845 1.00 0.00 C ATOM 572 OE1 GLU A 42 2.345 1.652 6.387 1.00 0.00 O ATOM 573 OE2 GLU A 42 1.195 -0.183 6.762 1.00 0.00 O ATOM 0 H GLU A 42 6.214 0.064 4.399 1.00 0.00 H new ATOM 0 HA GLU A 42 4.512 -1.945 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.562 -0.300 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.856 1.012 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.234 -1.165 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.602 0.384 8.491 1.00 0.00 H new ATOM 580 N VAL A 43 2.598 -1.372 4.314 1.00 0.00 N ATOM 581 CA VAL A 43 1.461 -1.083 3.448 1.00 0.00 C ATOM 582 C VAL A 43 0.183 -0.902 4.260 1.00 0.00 C ATOM 583 O VAL A 43 -0.355 -1.860 4.814 1.00 0.00 O ATOM 584 CB VAL A 43 1.244 -2.203 2.413 1.00 0.00 C ATOM 585 CG1 VAL A 43 0.044 -1.891 1.532 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.496 -2.400 1.572 1.00 0.00 C ATOM 0 H VAL A 43 2.585 -2.303 4.729 1.00 0.00 H new ATOM 0 HA VAL A 43 1.690 -0.155 2.925 1.00 0.00 H new ATOM 0 HB VAL A 43 1.041 -3.132 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.094 -2.693 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.849 -1.804 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.213 -0.952 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.325 -3.195 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.731 -1.474 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.330 -2.673 2.219 1.00 0.00 H new ATOM 596 N LYS A 44 -0.299 0.335 4.326 1.00 0.00 N ATOM 597 CA LYS A 44 -1.515 0.643 5.068 1.00 0.00 C ATOM 598 C LYS A 44 -2.627 1.098 4.128 1.00 0.00 C ATOM 599 O LYS A 44 -2.524 2.147 3.491 1.00 0.00 O ATOM 600 CB LYS A 44 -1.239 1.729 6.111 1.00 0.00 C ATOM 601 CG LYS A 44 -2.495 2.272 6.771 1.00 0.00 C ATOM 602 CD LYS A 44 -2.304 3.706 7.236 1.00 0.00 C ATOM 603 CE LYS A 44 -1.792 3.764 8.667 1.00 0.00 C ATOM 604 NZ LYS A 44 -0.306 3.689 8.728 1.00 0.00 N ATOM 0 H LYS A 44 0.135 1.140 3.874 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.841 -0.265 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.581 1.324 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.705 2.551 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.327 2.224 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.760 1.645 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.600 4.213 6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.251 4.242 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.128 4.689 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.221 2.942 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.030 4.154 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.009 2.692 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.100 4.168 7.899 1.00 0.00 H new ATOM 618 N TYR A 45 -3.688 0.303 4.046 1.00 0.00 N ATOM 619 CA TYR A 45 -4.818 0.623 3.182 1.00 0.00 C ATOM 620 C TYR A 45 -6.109 0.723 3.989 1.00 0.00 C ATOM 621 O TYR A 45 -6.380 -0.109 4.855 1.00 0.00 O ATOM 622 CB TYR A 45 -4.967 -0.436 2.088 1.00 0.00 C ATOM 623 CG TYR A 45 -5.007 -1.852 2.618 1.00 0.00 C ATOM 624 CD1 TYR A 45 -3.879 -2.435 3.182 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.173 -2.605 2.555 1.00 0.00 C ATOM 626 CE1 TYR A 45 -3.911 -3.729 3.666 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.214 -3.899 3.038 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.080 -4.456 3.592 1.00 0.00 C ATOM 629 OH TYR A 45 -5.116 -5.744 4.075 1.00 0.00 O ATOM 0 H TYR A 45 -3.789 -0.568 4.567 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.625 1.590 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.881 -0.241 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.137 -0.342 1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.962 -1.868 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.062 -2.172 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.025 -4.168 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.128 -4.471 2.982 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.479 -5.834 4.815 1.00 0.00 H new ATOM 639 N HIS A 46 -6.903 1.748 3.697 1.00 0.00 N ATOM 640 CA HIS A 46 -8.168 1.958 4.393 1.00 0.00 C ATOM 641 C HIS A 46 -9.257 2.400 3.421 1.00 0.00 C ATOM 642 O HIS A 46 -9.035 3.272 2.581 1.00 0.00 O ATOM 643 CB HIS A 46 -7.999 3.002 5.497 1.00 0.00 C ATOM 644 CG HIS A 46 -7.983 4.412 4.991 1.00 0.00 C ATOM 645 ND1 HIS A 46 -8.919 5.354 5.360 1.00 0.00 N ATOM 646 CD2 HIS A 46 -7.135 5.038 4.141 1.00 0.00 C ATOM 647 CE1 HIS A 46 -8.649 6.499 4.757 1.00 0.00 C ATOM 648 NE2 HIS A 46 -7.571 6.333 4.012 1.00 0.00 N ATOM 0 H HIS A 46 -6.693 2.446 2.984 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.469 1.011 4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.810 2.892 6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.070 2.806 6.032 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.276 4.600 3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.214 7.414 4.857 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.133 7.051 3.434 1.00 0.00 H new ATOM 657 N GLU A 47 -10.433 1.793 3.541 1.00 0.00 N ATOM 658 CA GLU A 47 -11.555 2.124 2.671 1.00 0.00 C ATOM 659 C GLU A 47 -11.870 3.615 2.732 1.00 0.00 C ATOM 660 O GLU A 47 -11.726 4.250 3.778 1.00 0.00 O ATOM 661 CB GLU A 47 -12.792 1.313 3.066 1.00 0.00 C ATOM 662 CG GLU A 47 -13.814 1.179 1.949 1.00 0.00 C ATOM 663 CD GLU A 47 -14.789 0.042 2.185 1.00 0.00 C ATOM 664 OE1 GLU A 47 -15.727 0.223 2.990 1.00 0.00 O ATOM 665 OE2 GLU A 47 -14.615 -1.028 1.565 1.00 0.00 O ATOM 0 H GLU A 47 -10.634 1.070 4.232 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.275 1.872 1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.478 0.318 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.266 1.785 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.367 2.113 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.295 1.018 1.004 1.00 0.00 H new ATOM 672 N LYS A 48 -12.301 4.170 1.604 1.00 0.00 N ATOM 673 CA LYS A 48 -12.637 5.587 1.528 1.00 0.00 C ATOM 674 C LYS A 48 -14.084 5.826 1.947 1.00 0.00 C ATOM 675 O LYS A 48 -15.006 5.668 1.148 1.00 0.00 O ATOM 676 CB LYS A 48 -12.414 6.109 0.107 1.00 0.00 C ATOM 677 CG LYS A 48 -12.075 7.588 0.049 1.00 0.00 C ATOM 678 CD LYS A 48 -11.335 7.941 -1.231 1.00 0.00 C ATOM 679 CE LYS A 48 -11.447 9.425 -1.548 1.00 0.00 C ATOM 680 NZ LYS A 48 -10.460 10.232 -0.779 1.00 0.00 N ATOM 0 H LYS A 48 -12.426 3.660 0.730 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.984 6.127 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.607 5.541 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.312 5.927 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.991 8.175 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.463 7.856 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.285 7.667 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.740 7.359 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.291 9.581 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.455 9.770 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.522 11.228 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.667 10.157 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.501 9.876 -0.964 1.00 0.00 H new ATOM 769 N VAL A 56 -8.724 0.818 8.647 1.00 0.00 N ATOM 770 CA VAL A 56 -7.333 0.854 8.213 1.00 0.00 C ATOM 771 C VAL A 56 -6.617 -0.448 8.555 1.00 0.00 C ATOM 772 O VAL A 56 -6.593 -0.870 9.711 1.00 0.00 O ATOM 773 CB VAL A 56 -6.574 2.028 8.858 1.00 0.00 C ATOM 774 CG1 VAL A 56 -5.138 2.075 8.358 1.00 0.00 C ATOM 775 CG2 VAL A 56 -7.288 3.342 8.578 1.00 0.00 C ATOM 0 HA VAL A 56 -7.342 0.987 7.131 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.553 1.875 9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.617 2.911 8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.633 1.144 8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.134 2.204 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.738 4.161 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.342 3.504 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.296 3.303 8.990 1.00 0.00 H new ATOM 785 N ARG A 57 -6.035 -1.081 7.541 1.00 0.00 N ATOM 786 CA ARG A 57 -5.319 -2.336 7.733 1.00 0.00 C ATOM 787 C ARG A 57 -3.817 -2.138 7.549 1.00 0.00 C ATOM 788 O ARG A 57 -3.374 -1.115 7.026 1.00 0.00 O ATOM 789 CB ARG A 57 -5.829 -3.394 6.754 1.00 0.00 C ATOM 790 CG ARG A 57 -7.171 -3.990 7.146 1.00 0.00 C ATOM 791 CD ARG A 57 -7.309 -5.423 6.654 1.00 0.00 C ATOM 792 NE ARG A 57 -8.601 -6.002 7.012 1.00 0.00 N ATOM 793 CZ ARG A 57 -8.905 -7.283 6.838 1.00 0.00 C ATOM 794 NH1 ARG A 57 -8.015 -8.114 6.313 1.00 0.00 N ATOM 795 NH2 ARG A 57 -10.102 -7.736 7.189 1.00 0.00 N ATOM 0 H ARG A 57 -6.046 -0.745 6.578 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.501 -2.677 8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.914 -2.949 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.093 -4.195 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.279 -3.964 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.975 -3.383 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.188 -5.448 5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.509 -6.031 7.078 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.308 -5.389 7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.094 -7.770 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.251 -9.097 6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.790 -7.100 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.334 -8.720 7.055 1.00 0.00 H new ATOM 809 N PHE A 58 -3.038 -3.124 7.982 1.00 0.00 N ATOM 810 CA PHE A 58 -1.586 -3.059 7.866 1.00 0.00 C ATOM 811 C PHE A 58 -1.030 -4.345 7.262 1.00 0.00 C ATOM 812 O PHE A 58 -1.588 -5.426 7.453 1.00 0.00 O ATOM 813 CB PHE A 58 -0.955 -2.812 9.238 1.00 0.00 C ATOM 814 CG PHE A 58 -1.080 -1.391 9.708 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.181 -0.985 10.446 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.096 -0.460 9.413 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.298 0.322 10.879 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.208 0.848 9.844 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.310 1.239 10.579 1.00 0.00 C ATOM 0 H PHE A 58 -3.388 -3.978 8.417 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.336 -2.230 7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.424 -3.471 9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.100 -3.081 9.198 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.956 -1.698 10.685 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.768 -0.761 8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.162 0.626 11.452 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.565 1.564 9.606 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.399 2.260 10.919 1.00 0.00 H new ATOM 829 N LEU A 59 0.073 -4.220 6.532 1.00 0.00 N ATOM 830 CA LEU A 59 0.705 -5.372 5.899 1.00 0.00 C ATOM 831 C LEU A 59 2.218 -5.187 5.820 1.00 0.00 C ATOM 832 O LEU A 59 2.710 -4.302 5.120 1.00 0.00 O ATOM 833 CB LEU A 59 0.132 -5.586 4.497 1.00 0.00 C ATOM 834 CG LEU A 59 0.930 -6.515 3.581 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.483 -7.957 3.763 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.780 -6.088 2.128 1.00 0.00 C ATOM 0 H LEU A 59 0.548 -3.333 6.364 1.00 0.00 H new ATOM 0 HA LEU A 59 0.496 -6.251 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.878 -5.985 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.045 -4.615 4.010 1.00 0.00 H new ATOM 0 HG LEU A 59 1.983 -6.446 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.062 -8.603 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.642 -8.259 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.576 -8.043 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.354 -6.760 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.271 -6.128 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.150 -5.070 2.008 1.00 0.00 H new ATOM 848 N LYS A 60 2.950 -6.030 6.540 1.00 0.00 N ATOM 849 CA LYS A 60 4.406 -5.963 6.549 1.00 0.00 C ATOM 850 C LYS A 60 5.001 -6.909 5.511 1.00 0.00 C ATOM 851 O LYS A 60 4.701 -8.103 5.499 1.00 0.00 O ATOM 852 CB LYS A 60 4.944 -6.311 7.939 1.00 0.00 C ATOM 853 CG LYS A 60 4.824 -5.175 8.940 1.00 0.00 C ATOM 854 CD LYS A 60 4.687 -5.695 10.361 1.00 0.00 C ATOM 855 CE LYS A 60 5.115 -4.651 11.381 1.00 0.00 C ATOM 856 NZ LYS A 60 4.064 -3.618 11.592 1.00 0.00 N ATOM 0 H LYS A 60 2.558 -6.768 7.125 1.00 0.00 H new ATOM 0 HA LYS A 60 4.699 -4.944 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.406 -7.179 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.992 -6.598 7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.702 -4.533 8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.959 -4.560 8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.652 -5.983 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.294 -6.593 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.339 -5.140 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.034 -4.171 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.394 -2.925 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.868 -3.133 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.195 -4.073 11.937 1.00 0.00 H new ATOM 870 N THR A 61 5.848 -6.369 4.641 1.00 0.00 N ATOM 871 CA THR A 61 6.486 -7.164 3.599 1.00 0.00 C ATOM 872 C THR A 61 7.961 -6.809 3.461 1.00 0.00 C ATOM 873 O THR A 61 8.332 -5.635 3.486 1.00 0.00 O ATOM 874 CB THR A 61 5.792 -6.967 2.238 1.00 0.00 C ATOM 875 OG1 THR A 61 6.295 -7.915 1.290 1.00 0.00 O ATOM 876 CG2 THR A 61 6.013 -5.555 1.718 1.00 0.00 C ATOM 0 H THR A 61 6.109 -5.383 4.637 1.00 0.00 H new ATOM 0 HA THR A 61 6.394 -8.208 3.898 1.00 0.00 H new ATOM 0 HB THR A 61 4.722 -7.123 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.691 -7.959 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.514 -5.439 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.603 -4.837 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.081 -5.375 1.597 1.00 0.00 H new ATOM 884 N SER A 62 8.800 -7.829 3.315 1.00 0.00 N ATOM 885 CA SER A 62 10.237 -7.624 3.176 1.00 0.00 C ATOM 886 C SER A 62 10.618 -7.421 1.713 1.00 0.00 C ATOM 887 O SER A 62 11.629 -7.943 1.245 1.00 0.00 O ATOM 888 CB SER A 62 11.002 -8.816 3.753 1.00 0.00 C ATOM 889 OG SER A 62 10.665 -10.015 3.075 1.00 0.00 O ATOM 0 H SER A 62 8.509 -8.806 3.290 1.00 0.00 H new ATOM 0 HA SER A 62 10.506 -6.726 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.074 -8.638 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.775 -8.919 4.814 1.00 0.00 H new ATOM 0 HG SER A 62 11.168 -10.762 3.461 1.00 0.00 H new ATOM 895 N GLU A 63 9.799 -6.658 0.995 1.00 0.00 N ATOM 896 CA GLU A 63 10.049 -6.386 -0.416 1.00 0.00 C ATOM 897 C GLU A 63 9.305 -5.133 -0.868 1.00 0.00 C ATOM 898 O GLU A 63 8.381 -4.672 -0.200 1.00 0.00 O ATOM 899 CB GLU A 63 9.624 -7.582 -1.271 1.00 0.00 C ATOM 900 CG GLU A 63 8.118 -7.748 -1.380 1.00 0.00 C ATOM 901 CD GLU A 63 7.700 -9.198 -1.527 1.00 0.00 C ATOM 902 OE1 GLU A 63 8.435 -9.964 -2.185 1.00 0.00 O ATOM 903 OE2 GLU A 63 6.638 -9.567 -0.984 1.00 0.00 O ATOM 0 H GLU A 63 8.957 -6.218 1.367 1.00 0.00 H new ATOM 0 HA GLU A 63 11.118 -6.218 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.042 -7.469 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.051 -8.491 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.645 -7.325 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.755 -7.180 -2.237 1.00 0.00 H new ATOM 910 N ASN A 64 9.716 -4.587 -2.008 1.00 0.00 N ATOM 911 CA ASN A 64 9.090 -3.387 -2.551 1.00 0.00 C ATOM 912 C ASN A 64 7.843 -3.740 -3.355 1.00 0.00 C ATOM 913 O ASN A 64 7.493 -3.049 -4.312 1.00 0.00 O ATOM 914 CB ASN A 64 10.080 -2.624 -3.433 1.00 0.00 C ATOM 915 CG ASN A 64 10.474 -3.408 -4.671 1.00 0.00 C ATOM 916 OD1 ASN A 64 10.243 -4.614 -4.755 1.00 0.00 O ATOM 917 ND2 ASN A 64 11.071 -2.723 -5.639 1.00 0.00 N ATOM 0 H ASN A 64 10.480 -4.957 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 64 8.794 -2.752 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.638 -1.674 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.974 -2.391 -2.854 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.358 -3.196 -6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.242 -1.724 -5.526 1.00 0.00 H new ATOM 924 N ARG A 65 7.176 -4.819 -2.959 1.00 0.00 N ATOM 925 CA ARG A 65 5.968 -5.264 -3.643 1.00 0.00 C ATOM 926 C ARG A 65 5.109 -6.128 -2.723 1.00 0.00 C ATOM 927 O ARG A 65 5.627 -6.851 -1.872 1.00 0.00 O ATOM 928 CB ARG A 65 6.330 -6.049 -4.905 1.00 0.00 C ATOM 929 CG ARG A 65 7.238 -7.240 -4.642 1.00 0.00 C ATOM 930 CD ARG A 65 7.587 -7.968 -5.931 1.00 0.00 C ATOM 931 NE ARG A 65 8.793 -7.431 -6.554 1.00 0.00 N ATOM 932 CZ ARG A 65 9.099 -7.605 -7.835 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.290 -8.297 -8.624 1.00 0.00 N ATOM 934 NH2 ARG A 65 10.215 -7.084 -8.328 1.00 0.00 N ATOM 0 H ARG A 65 7.452 -5.401 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 65 5.394 -4.381 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.414 -6.399 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.819 -5.379 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.152 -6.902 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.747 -7.929 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.729 -9.028 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.753 -7.890 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 65 9.436 -6.892 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.430 -8.697 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.527 -8.429 -9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.839 -6.549 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.449 -7.218 -9.312 1.00 0.00 H new ATOM 948 N ALA A 66 3.795 -6.047 -2.900 1.00 0.00 N ATOM 949 CA ALA A 66 2.865 -6.822 -2.087 1.00 0.00 C ATOM 950 C ALA A 66 1.596 -7.148 -2.867 1.00 0.00 C ATOM 951 O ALA A 66 1.368 -6.613 -3.951 1.00 0.00 O ATOM 952 CB ALA A 66 2.524 -6.067 -0.811 1.00 0.00 C ATOM 0 H ALA A 66 3.350 -5.453 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 66 3.348 -7.762 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.829 -6.657 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.435 -5.890 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.064 -5.112 -1.065 1.00 0.00 H new ATOM 958 N GLU A 67 0.773 -8.030 -2.306 1.00 0.00 N ATOM 959 CA GLU A 67 -0.473 -8.428 -2.951 1.00 0.00 C ATOM 960 C GLU A 67 -1.595 -8.566 -1.927 1.00 0.00 C ATOM 961 O GLU A 67 -1.570 -9.457 -1.077 1.00 0.00 O ATOM 962 CB GLU A 67 -0.285 -9.749 -3.700 1.00 0.00 C ATOM 963 CG GLU A 67 -1.518 -10.192 -4.470 1.00 0.00 C ATOM 964 CD GLU A 67 -1.221 -11.302 -5.459 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.874 -12.416 -5.014 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.334 -11.057 -6.678 1.00 0.00 O ATOM 0 H GLU A 67 0.947 -8.481 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.749 -7.651 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.550 -9.648 -4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.014 -10.527 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.278 -10.531 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.935 -9.338 -5.003 1.00 0.00 H new ATOM 973 N LEU A 68 -2.579 -7.677 -2.013 1.00 0.00 N ATOM 974 CA LEU A 68 -3.712 -7.698 -1.094 1.00 0.00 C ATOM 975 C LEU A 68 -4.821 -8.604 -1.618 1.00 0.00 C ATOM 976 O LEU A 68 -5.271 -8.458 -2.755 1.00 0.00 O ATOM 977 CB LEU A 68 -4.250 -6.282 -0.885 1.00 0.00 C ATOM 978 CG LEU A 68 -3.206 -5.202 -0.597 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.802 -3.817 -0.794 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.658 -5.354 0.814 1.00 0.00 C ATOM 0 H LEU A 68 -2.615 -6.933 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.367 -8.093 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.807 -5.992 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.959 -6.303 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.382 -5.323 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.044 -3.062 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.145 -3.711 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.645 -3.684 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.916 -4.578 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.472 -5.260 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.192 -6.334 0.920 1.00 0.00 H new ATOM 992 N ARG A 69 -5.260 -9.538 -0.781 1.00 0.00 N ATOM 993 CA ARG A 69 -6.318 -10.467 -1.159 1.00 0.00 C ATOM 994 C ARG A 69 -7.575 -10.228 -0.328 1.00 0.00 C ATOM 995 O ARG A 69 -7.496 -9.867 0.845 1.00 0.00 O ATOM 996 CB ARG A 69 -5.845 -11.912 -0.983 1.00 0.00 C ATOM 997 CG ARG A 69 -5.049 -12.440 -2.166 1.00 0.00 C ATOM 998 CD ARG A 69 -4.075 -13.527 -1.740 1.00 0.00 C ATOM 999 NE ARG A 69 -3.658 -14.360 -2.865 1.00 0.00 N ATOM 1000 CZ ARG A 69 -3.120 -15.567 -2.726 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -2.934 -16.078 -1.518 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -2.767 -16.264 -3.799 1.00 0.00 N ATOM 0 H ARG A 69 -4.899 -9.672 0.164 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.559 -10.296 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.231 -11.978 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.712 -12.553 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.732 -12.836 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.501 -11.621 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.198 -13.069 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.541 -14.153 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.787 -13.995 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.204 -15.545 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.521 -17.005 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.909 -15.873 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.354 -17.191 -3.692 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.735 -10.431 -0.946 1.00 0.00 N ATOM 1017 CA GLY A 70 -9.992 -10.231 -0.248 1.00 0.00 C ATOM 1018 C GLY A 70 -10.372 -8.768 -0.145 1.00 0.00 C ATOM 1019 O GLY A 70 -10.141 -8.130 0.883 1.00 0.00 O ATOM 0 H GLY A 70 -8.827 -10.730 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.782 -10.773 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.919 -10.656 0.753 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.954 -8.232 -1.212 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.366 -6.833 -1.238 1.00 0.00 C ATOM 1025 C LEU A 71 -12.703 -6.672 -1.953 1.00 0.00 C ATOM 1026 O LEU A 71 -13.260 -7.637 -2.476 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.299 -5.980 -1.928 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.891 -6.060 -1.338 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.851 -5.698 -2.387 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.767 -5.149 -0.126 1.00 0.00 C ATOM 0 H LEU A 71 -11.151 -8.745 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.483 -6.495 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.249 -6.274 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.623 -4.939 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.711 -7.086 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.855 -5.761 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.923 -6.391 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.029 -4.682 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.758 -5.219 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.968 -4.120 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.486 -5.454 0.634 1.00 0.00 H new ATOM 1042 N LYS A 72 -13.213 -5.445 -1.975 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.483 -5.155 -2.629 1.00 0.00 C ATOM 1044 C LYS A 72 -14.292 -4.163 -3.772 1.00 0.00 C ATOM 1045 O LYS A 72 -14.344 -2.950 -3.568 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.486 -4.596 -1.616 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.878 -5.591 -0.537 1.00 0.00 C ATOM 1048 CD LYS A 72 -16.675 -4.924 0.572 1.00 0.00 C ATOM 1049 CE LYS A 72 -15.762 -4.281 1.604 1.00 0.00 C ATOM 1050 NZ LYS A 72 -16.439 -4.120 2.920 1.00 0.00 N ATOM 0 H LYS A 72 -12.765 -4.635 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.872 -6.086 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.059 -3.711 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.383 -4.274 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.468 -6.394 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.981 -6.047 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.333 -4.167 0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.313 -5.662 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.868 -4.892 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.435 -3.306 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.783 -3.678 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.278 -3.517 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.729 -5.053 3.278 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.074 -4.686 -4.973 1.00 0.00 N ATOM 1065 CA ARG A 73 -13.876 -3.846 -6.148 1.00 0.00 C ATOM 1066 C ARG A 73 -14.910 -2.724 -6.195 1.00 0.00 C ATOM 1067 O ARG A 73 -15.986 -2.833 -5.609 1.00 0.00 O ATOM 1068 CB ARG A 73 -13.963 -4.687 -7.423 1.00 0.00 C ATOM 1069 CG ARG A 73 -15.387 -4.945 -7.887 1.00 0.00 C ATOM 1070 CD ARG A 73 -16.091 -5.951 -6.990 1.00 0.00 C ATOM 1071 NE ARG A 73 -15.841 -7.327 -7.409 1.00 0.00 N ATOM 1072 CZ ARG A 73 -16.384 -7.876 -8.490 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -17.202 -7.169 -9.257 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -16.108 -9.135 -8.807 1.00 0.00 N ATOM 0 H ARG A 73 -14.030 -5.688 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.884 -3.400 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.416 -4.182 -8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.467 -5.642 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.944 -4.008 -7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.375 -5.315 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.754 -5.818 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.164 -5.758 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.215 -7.898 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.416 -6.201 -9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.617 -7.593 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.478 -9.682 -8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.526 -9.555 -9.637 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.574 -1.645 -6.896 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.483 -0.519 -7.005 1.00 0.00 C ATOM 1090 C GLY A 74 -15.345 0.451 -5.848 1.00 0.00 C ATOM 1091 O GLY A 74 -15.217 1.657 -6.053 1.00 0.00 O ATOM 0 H GLY A 74 -13.689 -1.531 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.294 0.007 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.508 -0.886 -7.047 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.375 -0.077 -4.629 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.252 0.751 -3.435 1.00 0.00 C ATOM 1097 C ALA A 75 -13.886 1.426 -3.373 1.00 0.00 C ATOM 1098 O ALA A 75 -12.852 0.758 -3.377 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.486 -0.086 -2.186 1.00 0.00 C ATOM 0 H ALA A 75 -15.483 -1.074 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.012 1.531 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.391 0.545 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.487 -0.517 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.748 -0.887 -2.141 1.00 0.00 H new ATOM 1105 N SER A 76 -13.889 2.754 -3.317 1.00 0.00 N ATOM 1106 CA SER A 76 -12.650 3.520 -3.259 1.00 0.00 C ATOM 1107 C SER A 76 -11.742 3.001 -2.148 1.00 0.00 C ATOM 1108 O SER A 76 -12.193 2.751 -1.030 1.00 0.00 O ATOM 1109 CB SER A 76 -12.952 5.003 -3.036 1.00 0.00 C ATOM 1110 OG SER A 76 -13.387 5.621 -4.235 1.00 0.00 O ATOM 0 H SER A 76 -14.736 3.322 -3.311 1.00 0.00 H new ATOM 0 HA SER A 76 -12.134 3.401 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.719 5.110 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.059 5.508 -2.666 1.00 0.00 H new ATOM 0 HG SER A 76 -13.575 6.568 -4.065 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.462 2.842 -2.464 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.490 2.351 -1.494 1.00 0.00 C ATOM 1118 C TYR A 77 -8.223 3.200 -1.515 1.00 0.00 C ATOM 1119 O TYR A 77 -7.515 3.255 -2.522 1.00 0.00 O ATOM 1120 CB TYR A 77 -9.144 0.890 -1.784 1.00 0.00 C ATOM 1121 CG TYR A 77 -10.043 -0.098 -1.075 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -9.969 -0.270 0.302 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.966 -0.859 -1.782 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -10.788 -1.172 0.954 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.790 -1.761 -1.138 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.697 -1.914 0.230 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.516 -2.814 0.874 1.00 0.00 O ATOM 0 H TYR A 77 -10.073 3.046 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.936 2.422 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.205 0.717 -2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.111 0.705 -1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.259 0.311 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -11.040 -0.743 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.716 -1.295 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.503 -2.343 -1.702 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.313 -2.351 1.207 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.942 3.860 -0.397 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.760 4.706 -0.285 1.00 0.00 C ATOM 1139 C LEU A 78 -5.596 3.937 0.333 1.00 0.00 C ATOM 1140 O LEU A 78 -5.518 3.783 1.552 1.00 0.00 O ATOM 1141 CB LEU A 78 -7.073 5.944 0.558 1.00 0.00 C ATOM 1142 CG LEU A 78 -8.200 6.840 0.042 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.457 7.985 1.010 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.865 7.374 -1.343 1.00 0.00 C ATOM 0 H LEU A 78 -8.517 3.825 0.445 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.472 5.020 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.328 5.617 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.166 6.544 0.637 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.109 6.243 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.262 8.612 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.742 7.583 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.551 8.582 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.678 8.009 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.944 7.955 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.733 6.540 -2.032 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.693 3.458 -0.516 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.532 2.707 -0.053 1.00 0.00 C ATOM 1158 C VAL A 79 -2.327 3.622 0.137 1.00 0.00 C ATOM 1159 O VAL A 79 -2.064 4.497 -0.688 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.160 1.584 -1.039 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.926 0.837 -0.557 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.331 0.632 -1.228 1.00 0.00 C ATOM 0 H VAL A 79 -4.743 3.576 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.803 2.263 0.905 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.928 2.034 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.678 0.047 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.088 1.530 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.125 0.397 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.051 -0.155 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.597 0.187 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.186 1.181 -1.623 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.598 3.412 1.229 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.420 4.219 1.527 1.00 0.00 C ATOM 1174 C GLN A 80 0.767 3.334 1.893 1.00 0.00 C ATOM 1175 O GLN A 80 0.707 2.563 2.851 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.718 5.192 2.669 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.445 6.450 2.222 1.00 0.00 C ATOM 1178 CD GLN A 80 -2.338 7.024 3.305 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -3.429 6.513 3.561 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -1.878 8.091 3.947 1.00 0.00 N ATOM 0 H GLN A 80 -1.802 2.691 1.921 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.164 4.787 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.320 4.683 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.219 5.475 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.714 7.201 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.047 6.224 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.968 8.481 3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.435 8.521 4.686 1.00 0.00 H new ATOM 1189 N VAL A 81 1.845 3.451 1.125 1.00 0.00 N ATOM 1190 CA VAL A 81 3.047 2.662 1.369 1.00 0.00 C ATOM 1191 C VAL A 81 4.194 3.543 1.849 1.00 0.00 C ATOM 1192 O VAL A 81 4.414 4.635 1.323 1.00 0.00 O ATOM 1193 CB VAL A 81 3.490 1.907 0.102 1.00 0.00 C ATOM 1194 CG1 VAL A 81 4.674 1.002 0.405 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.331 1.106 -0.473 1.00 0.00 C ATOM 0 H VAL A 81 1.911 4.085 0.328 1.00 0.00 H new ATOM 0 HA VAL A 81 2.798 1.939 2.146 1.00 0.00 H new ATOM 0 HB VAL A 81 3.803 2.638 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.972 0.477 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.508 1.603 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.391 0.276 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.662 0.579 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.985 0.384 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.515 1.781 -0.730 1.00 0.00 H new ATOM 1205 N ARG A 82 4.923 3.062 2.851 1.00 0.00 N ATOM 1206 CA ARG A 82 6.049 3.807 3.403 1.00 0.00 C ATOM 1207 C ARG A 82 7.273 2.909 3.553 1.00 0.00 C ATOM 1208 O ARG A 82 7.152 1.689 3.649 1.00 0.00 O ATOM 1209 CB ARG A 82 5.674 4.407 4.759 1.00 0.00 C ATOM 1210 CG ARG A 82 5.473 3.368 5.850 1.00 0.00 C ATOM 1211 CD ARG A 82 5.547 3.993 7.235 1.00 0.00 C ATOM 1212 NE ARG A 82 5.256 3.025 8.289 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.846 3.365 9.506 1.00 0.00 C ATOM 1214 NH1 ARG A 82 4.680 4.642 9.821 1.00 0.00 N ATOM 1215 NH2 ARG A 82 4.601 2.426 10.411 1.00 0.00 N ATOM 0 H ARG A 82 4.754 2.160 3.297 1.00 0.00 H new ATOM 0 HA ARG A 82 6.294 4.613 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.456 5.100 5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.758 4.988 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.505 2.884 5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.233 2.592 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.541 4.411 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.840 4.820 7.298 1.00 0.00 H new ATOM 0 HE ARG A 82 5.374 2.034 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.867 5.367 9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.365 4.900 10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.727 1.442 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.286 2.688 11.345 1.00 0.00 H new ATOM 1229 N ALA A 83 8.452 3.523 3.570 1.00 0.00 N ATOM 1230 CA ALA A 83 9.698 2.780 3.709 1.00 0.00 C ATOM 1231 C ALA A 83 10.323 3.008 5.082 1.00 0.00 C ATOM 1232 O ALA A 83 10.157 4.071 5.681 1.00 0.00 O ATOM 1233 CB ALA A 83 10.674 3.176 2.611 1.00 0.00 C ATOM 0 H ALA A 83 8.570 4.533 3.489 1.00 0.00 H new ATOM 0 HA ALA A 83 9.471 1.718 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.600 2.613 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.235 2.956 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.886 4.243 2.680 1.00 0.00 H new ATOM 1239 N ARG A 84 11.042 2.005 5.574 1.00 0.00 N ATOM 1240 CA ARG A 84 11.690 2.096 6.877 1.00 0.00 C ATOM 1241 C ARG A 84 13.179 1.782 6.766 1.00 0.00 C ATOM 1242 O ARG A 84 13.586 0.922 5.985 1.00 0.00 O ATOM 1243 CB ARG A 84 11.027 1.136 7.867 1.00 0.00 C ATOM 1244 CG ARG A 84 11.718 1.086 9.221 1.00 0.00 C ATOM 1245 CD ARG A 84 11.428 -0.219 9.946 1.00 0.00 C ATOM 1246 NE ARG A 84 11.444 -0.054 11.397 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.558 -0.008 12.119 1.00 0.00 C ATOM 1248 NH1 ARG A 84 13.740 -0.113 11.528 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.491 0.144 13.435 1.00 0.00 N ATOM 0 H ARG A 84 11.191 1.120 5.090 1.00 0.00 H new ATOM 0 HA ARG A 84 11.578 3.117 7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.988 1.434 8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.015 0.134 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.794 1.197 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.385 1.925 9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.454 -0.598 9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.168 -0.966 9.658 1.00 0.00 H new ATOM 0 HE ARG A 84 10.551 0.031 11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.796 -0.229 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.594 -0.077 12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.583 0.226 13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.347 0.179 13.989 1.00 0.00 H new ATOM 1263 N SER A 85 13.986 2.486 7.553 1.00 0.00 N ATOM 1264 CA SER A 85 15.431 2.285 7.541 1.00 0.00 C ATOM 1265 C SER A 85 15.963 2.085 8.957 1.00 0.00 C ATOM 1266 O SER A 85 15.228 2.225 9.933 1.00 0.00 O ATOM 1267 CB SER A 85 16.127 3.480 6.886 1.00 0.00 C ATOM 1268 OG SER A 85 17.431 3.136 6.453 1.00 0.00 O ATOM 0 H SER A 85 13.665 3.200 8.207 1.00 0.00 H new ATOM 0 HA SER A 85 15.644 1.387 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.538 3.827 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.182 4.306 7.595 1.00 0.00 H new ATOM 0 HG SER A 85 17.854 3.916 6.037 1.00 0.00 H new ATOM 1274 N GLU A 86 17.248 1.756 9.058 1.00 0.00 N ATOM 1275 CA GLU A 86 17.879 1.536 10.354 1.00 0.00 C ATOM 1276 C GLU A 86 17.456 2.607 11.354 1.00 0.00 C ATOM 1277 O GLU A 86 17.327 2.340 12.549 1.00 0.00 O ATOM 1278 CB GLU A 86 19.402 1.529 10.209 1.00 0.00 C ATOM 1279 CG GLU A 86 19.974 0.169 9.846 1.00 0.00 C ATOM 1280 CD GLU A 86 21.476 0.098 10.036 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.192 0.921 9.427 1.00 0.00 O ATOM 1282 OE2 GLU A 86 21.936 -0.781 10.794 1.00 0.00 O ATOM 0 H GLU A 86 17.871 1.636 8.259 1.00 0.00 H new ATOM 0 HA GLU A 86 17.553 0.566 10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.689 2.250 9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.849 1.863 11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.498 -0.596 10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.732 -0.057 8.808 1.00 0.00 H new ATOM 1289 N ALA A 87 17.244 3.821 10.858 1.00 0.00 N ATOM 1290 CA ALA A 87 16.834 4.933 11.707 1.00 0.00 C ATOM 1291 C ALA A 87 15.422 4.725 12.241 1.00 0.00 C ATOM 1292 O ALA A 87 15.210 4.648 13.451 1.00 0.00 O ATOM 1293 CB ALA A 87 16.922 6.244 10.939 1.00 0.00 C ATOM 0 H ALA A 87 17.349 4.060 9.872 1.00 0.00 H new ATOM 0 HA ALA A 87 17.513 4.977 12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.613 7.066 11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.949 6.406 10.612 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.267 6.201 10.069 1.00 0.00 H new ATOM 1299 N GLY A 88 14.456 4.634 11.331 1.00 0.00 N ATOM 1300 CA GLY A 88 13.076 4.437 11.731 1.00 0.00 C ATOM 1301 C GLY A 88 12.117 4.500 10.558 1.00 0.00 C ATOM 1302 O GLY A 88 12.527 4.755 9.426 1.00 0.00 O ATOM 0 H GLY A 88 14.606 4.693 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.979 3.470 12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.801 5.197 12.462 1.00 0.00 H new ATOM 1306 N TYR A 89 10.838 4.265 10.829 1.00 0.00 N ATOM 1307 CA TYR A 89 9.819 4.292 9.786 1.00 0.00 C ATOM 1308 C TYR A 89 9.686 5.691 9.191 1.00 0.00 C ATOM 1309 O TYR A 89 9.666 6.686 9.913 1.00 0.00 O ATOM 1310 CB TYR A 89 8.472 3.835 10.348 1.00 0.00 C ATOM 1311 CG TYR A 89 8.272 2.337 10.296 1.00 0.00 C ATOM 1312 CD1 TYR A 89 7.869 1.710 9.124 1.00 0.00 C ATOM 1313 CD2 TYR A 89 8.487 1.549 11.420 1.00 0.00 C ATOM 1314 CE1 TYR A 89 7.684 0.342 9.073 1.00 0.00 C ATOM 1315 CE2 TYR A 89 8.306 0.180 11.378 1.00 0.00 C ATOM 1316 CZ TYR A 89 7.904 -0.419 10.202 1.00 0.00 C ATOM 1317 OH TYR A 89 7.722 -1.782 10.155 1.00 0.00 O ATOM 0 H TYR A 89 10.482 4.054 11.761 1.00 0.00 H new ATOM 0 HA TYR A 89 10.126 3.608 8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.387 4.169 11.382 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.671 4.320 9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.697 2.302 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.801 2.015 12.342 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.369 -0.129 8.154 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.478 -0.418 12.261 1.00 0.00 H new ATOM 0 HH TYR A 89 7.920 -2.169 11.033 1.00 0.00 H new ATOM 1327 N GLY A 90 9.595 5.757 7.866 1.00 0.00 N ATOM 1328 CA GLY A 90 9.465 7.037 7.194 1.00 0.00 C ATOM 1329 C GLY A 90 8.018 7.432 6.975 1.00 0.00 C ATOM 1330 O GLY A 90 7.100 6.630 7.150 1.00 0.00 O ATOM 0 H GLY A 90 9.609 4.947 7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.963 7.806 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.976 6.993 6.232 1.00 0.00 H new ATOM 1334 N PRO A 91 7.798 8.696 6.585 1.00 0.00 N ATOM 1335 CA PRO A 91 6.454 9.225 6.335 1.00 0.00 C ATOM 1336 C PRO A 91 5.818 8.625 5.086 1.00 0.00 C ATOM 1337 O PRO A 91 6.498 8.006 4.267 1.00 0.00 O ATOM 1338 CB PRO A 91 6.692 10.725 6.146 1.00 0.00 C ATOM 1339 CG PRO A 91 8.104 10.829 5.683 1.00 0.00 C ATOM 1340 CD PRO A 91 8.844 9.706 6.357 1.00 0.00 C ATOM 0 HA PRO A 91 5.766 8.988 7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.003 11.146 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.540 11.270 7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.167 10.742 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.532 11.795 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.646 9.319 5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.300 10.030 7.292 1.00 0.00 H new ATOM 1348 N PHE A 92 4.510 8.813 4.945 1.00 0.00 N ATOM 1349 CA PHE A 92 3.782 8.289 3.795 1.00 0.00 C ATOM 1350 C PHE A 92 3.810 9.281 2.636 1.00 0.00 C ATOM 1351 O PHE A 92 3.747 10.493 2.839 1.00 0.00 O ATOM 1352 CB PHE A 92 2.334 7.978 4.179 1.00 0.00 C ATOM 1353 CG PHE A 92 2.198 6.795 5.094 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.463 5.514 4.636 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.804 6.963 6.412 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.339 4.423 5.476 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.678 5.876 7.256 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.945 4.604 6.787 1.00 0.00 C ATOM 0 H PHE A 92 3.933 9.324 5.613 1.00 0.00 H new ATOM 0 HA PHE A 92 4.271 7.369 3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.899 8.853 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.757 7.794 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.770 5.366 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.593 7.955 6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.550 3.430 5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.371 6.021 8.281 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.846 3.753 7.445 1.00 0.00 H new ATOM 1368 N GLY A 93 3.906 8.757 1.417 1.00 0.00 N ATOM 1369 CA GLY A 93 3.942 9.609 0.244 1.00 0.00 C ATOM 1370 C GLY A 93 2.571 9.806 -0.372 1.00 0.00 C ATOM 1371 O GLY A 93 1.560 9.422 0.214 1.00 0.00 O ATOM 0 H GLY A 93 3.959 7.757 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.357 10.579 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.611 9.173 -0.498 1.00 0.00 H new ATOM 1375 N GLN A 94 2.537 10.407 -1.558 1.00 0.00 N ATOM 1376 CA GLN A 94 1.279 10.655 -2.252 1.00 0.00 C ATOM 1377 C GLN A 94 0.373 9.430 -2.191 1.00 0.00 C ATOM 1378 O GLN A 94 0.791 8.321 -2.519 1.00 0.00 O ATOM 1379 CB GLN A 94 1.543 11.038 -3.709 1.00 0.00 C ATOM 1380 CG GLN A 94 0.444 11.890 -4.323 1.00 0.00 C ATOM 1381 CD GLN A 94 0.322 13.249 -3.663 1.00 0.00 C ATOM 1382 OE1 GLN A 94 -0.518 13.452 -2.785 1.00 0.00 O ATOM 1383 NE2 GLN A 94 1.161 14.189 -4.082 1.00 0.00 N ATOM 0 H GLN A 94 3.366 10.731 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 94 0.774 11.482 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.487 11.580 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.659 10.129 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.644 12.023 -5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.507 11.364 -4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.841 13.977 -4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.125 15.123 -3.674 1.00 0.00 H new ATOM 1392 N GLU A 95 -0.870 9.640 -1.770 1.00 0.00 N ATOM 1393 CA GLU A 95 -1.835 8.552 -1.666 1.00 0.00 C ATOM 1394 C GLU A 95 -2.245 8.054 -3.049 1.00 0.00 C ATOM 1395 O GLU A 95 -2.660 8.836 -3.905 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.072 9.009 -0.889 1.00 0.00 C ATOM 1397 CG GLU A 95 -2.876 9.016 0.618 1.00 0.00 C ATOM 1398 CD GLU A 95 -3.913 9.856 1.337 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -3.675 11.070 1.511 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -4.961 9.301 1.726 1.00 0.00 O ATOM 0 H GLU A 95 -1.232 10.553 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.361 7.731 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.346 10.012 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.908 8.354 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.920 7.993 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.881 9.397 0.850 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.125 6.747 -3.260 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.483 6.144 -4.539 1.00 0.00 C ATOM 1409 C HIS A 96 -3.971 5.811 -4.586 1.00 0.00 C ATOM 1410 O HIS A 96 -4.647 5.798 -3.556 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.658 4.879 -4.779 1.00 0.00 C ATOM 1412 CG HIS A 96 -1.478 4.547 -6.228 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -0.987 5.446 -7.151 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -1.725 3.406 -6.913 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -0.941 4.873 -8.340 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -1.383 3.634 -8.223 1.00 0.00 N ATOM 0 H HIS A 96 -1.783 6.086 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 96 -2.265 6.866 -5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.678 5.002 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.142 4.039 -4.280 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -0.703 6.404 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.118 2.487 -6.505 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.600 5.339 -9.253 1.00 0.00 H new ATOM 1425 N HIS A 97 -4.476 5.544 -5.786 1.00 0.00 N ATOM 1426 CA HIS A 97 -5.885 5.211 -5.966 1.00 0.00 C ATOM 1427 C HIS A 97 -6.041 3.923 -6.769 1.00 0.00 C ATOM 1428 O HIS A 97 -5.882 3.918 -7.990 1.00 0.00 O ATOM 1429 CB HIS A 97 -6.615 6.356 -6.669 1.00 0.00 C ATOM 1430 CG HIS A 97 -8.076 6.421 -6.349 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -9.052 5.902 -7.174 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -8.727 6.946 -5.284 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -10.239 6.107 -6.632 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -10.069 6.739 -5.484 1.00 0.00 N ATOM 0 H HIS A 97 -3.931 5.552 -6.648 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.326 5.059 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.148 7.300 -6.389 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.492 6.247 -7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.274 7.436 -4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.187 5.809 -7.055 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.814 7.026 -4.850 1.00 0.00 H new ATOM 1443 N SER A 98 -6.352 2.833 -6.075 1.00 0.00 N ATOM 1444 CA SER A 98 -6.524 1.538 -6.723 1.00 0.00 C ATOM 1445 C SER A 98 -7.371 1.671 -7.985 1.00 0.00 C ATOM 1446 O SER A 98 -8.276 2.502 -8.053 1.00 0.00 O ATOM 1447 CB SER A 98 -7.177 0.545 -5.759 1.00 0.00 C ATOM 1448 OG SER A 98 -8.475 0.974 -5.386 1.00 0.00 O ATOM 0 H SER A 98 -6.490 2.821 -5.064 1.00 0.00 H new ATOM 0 HA SER A 98 -5.539 1.166 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.236 -0.437 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.557 0.436 -4.869 1.00 0.00 H new ATOM 0 HG SER A 98 -8.988 0.210 -5.049 1.00 0.00 H new