USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 9 TYR OH : rot 180:sc=-0.00164 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.02) USER MOD Single : A 19 MET CE :methyl -179:sc= 0 (180deg=-0.000372) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.7!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 43:sc= 1.1 USER MOD Single : A 52 HIS : no HE2:sc= 0.514 K(o=0.51,f=-2.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -89:sc= 0.101 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -138:sc= 0.368 (180deg=-1.05) USER MOD Single : A 75 SER OG : rot 41:sc= 0.0178 USER MOD Single : A 76 ASN : amide:sc= 0.0108 X(o=0.011,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.472 K(o=-0.47,f=-6.7!) USER MOD Single : A 90 ASN : amide:sc= 0.998 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -4.971 -6.104 -10.019 1.00 0.00 N ATOM 82 CA TYR A 9 -3.860 -5.216 -9.725 1.00 0.00 C ATOM 83 C TYR A 9 -2.705 -5.683 -10.604 1.00 0.00 C ATOM 84 O TYR A 9 -2.450 -6.887 -10.648 1.00 0.00 O ATOM 85 CB TYR A 9 -3.487 -5.328 -8.242 1.00 0.00 C ATOM 86 CG TYR A 9 -4.608 -4.998 -7.286 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.870 -3.655 -6.969 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.407 -6.025 -6.753 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.974 -3.330 -6.162 1.00 0.00 C ATOM 90 CE2 TYR A 9 -6.515 -5.708 -5.949 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.823 -4.355 -5.684 1.00 0.00 C ATOM 92 OH TYR A 9 -7.978 -4.036 -5.040 1.00 0.00 O ATOM 0 HA TYR A 9 -4.108 -4.173 -9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.144 -6.343 -8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.647 -4.663 -8.041 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.225 -2.874 -7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.169 -7.058 -6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.173 -2.300 -5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.128 -6.495 -5.536 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.444 -4.857 -4.778 1.00 0.00 H new ATOM 102 N LYS A 10 -2.032 -4.782 -11.324 1.00 0.00 N ATOM 103 CA LYS A 10 -0.921 -5.119 -12.217 1.00 0.00 C ATOM 104 C LYS A 10 0.241 -4.142 -12.057 1.00 0.00 C ATOM 105 O LYS A 10 0.211 -3.255 -11.208 1.00 0.00 O ATOM 106 CB LYS A 10 -1.428 -5.228 -13.666 1.00 0.00 C ATOM 107 CG LYS A 10 -2.271 -6.502 -13.848 1.00 0.00 C ATOM 108 CD LYS A 10 -2.134 -7.087 -15.259 1.00 0.00 C ATOM 109 CE LYS A 10 -2.754 -8.482 -15.362 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.841 -8.554 -16.354 1.00 0.00 N ATOM 0 H LYS A 10 -2.246 -3.785 -11.303 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.522 -6.095 -11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.025 -4.351 -13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.582 -5.243 -14.353 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.963 -7.248 -13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.319 -6.275 -13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.616 -6.422 -15.976 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.079 -7.138 -15.530 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.978 -9.200 -15.628 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.140 -8.776 -14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.223 -9.521 -16.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.597 -7.890 -16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.471 -8.302 -17.293 1.00 0.00 H new ATOM 124 N ALA A 11 1.322 -4.381 -12.801 1.00 0.00 N ATOM 125 CA ALA A 11 2.610 -3.735 -12.593 1.00 0.00 C ATOM 126 C ALA A 11 2.467 -2.215 -12.539 1.00 0.00 C ATOM 127 O ALA A 11 1.852 -1.607 -13.417 1.00 0.00 O ATOM 128 CB ALA A 11 3.558 -4.122 -13.727 1.00 0.00 C ATOM 0 H ALA A 11 1.322 -5.042 -13.578 1.00 0.00 H new ATOM 0 HA ALA A 11 3.013 -4.070 -11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.524 -3.640 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.690 -5.204 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.137 -3.799 -14.679 1.00 0.00 H new ATOM 134 N GLY A 12 3.090 -1.607 -11.534 1.00 0.00 N ATOM 135 CA GLY A 12 3.085 -0.167 -11.335 1.00 0.00 C ATOM 136 C GLY A 12 1.968 0.270 -10.394 1.00 0.00 C ATOM 137 O GLY A 12 2.043 1.372 -9.845 1.00 0.00 O ATOM 0 H GLY A 12 3.621 -2.113 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.046 0.147 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.967 0.333 -12.297 1.00 0.00 H new ATOM 141 N ASP A 13 0.956 -0.571 -10.157 1.00 0.00 N ATOM 142 CA ASP A 13 -0.019 -0.315 -9.109 1.00 0.00 C ATOM 143 C ASP A 13 0.673 -0.369 -7.753 1.00 0.00 C ATOM 144 O ASP A 13 1.743 -0.960 -7.565 1.00 0.00 O ATOM 145 CB ASP A 13 -1.187 -1.321 -9.126 1.00 0.00 C ATOM 146 CG ASP A 13 -2.214 -1.063 -10.219 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.460 0.129 -10.518 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.868 -2.031 -10.673 1.00 0.00 O ATOM 0 H ASP A 13 0.797 -1.432 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.439 0.674 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.785 -2.326 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.688 -1.296 -8.158 1.00 0.00 H new ATOM 153 N LEU A 14 -0.006 0.221 -6.780 1.00 0.00 N ATOM 154 CA LEU A 14 0.320 0.175 -5.373 1.00 0.00 C ATOM 155 C LEU A 14 -0.906 -0.341 -4.661 1.00 0.00 C ATOM 156 O LEU A 14 -2.020 -0.178 -5.171 1.00 0.00 O ATOM 157 CB LEU A 14 0.657 1.585 -4.883 1.00 0.00 C ATOM 158 CG LEU A 14 1.938 2.143 -5.507 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.057 3.584 -5.029 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.144 1.257 -5.157 1.00 0.00 C ATOM 0 H LEU A 14 -0.843 0.773 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 14 1.180 -0.467 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.174 2.252 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.764 1.571 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 14 1.908 2.137 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.958 4.033 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.185 4.149 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.113 3.603 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.044 1.672 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.267 1.221 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.978 0.249 -5.537 1.00 0.00 H new ATOM 172 N VAL A 15 -0.719 -0.917 -3.478 1.00 0.00 N ATOM 173 CA VAL A 15 -1.790 -1.474 -2.669 1.00 0.00 C ATOM 174 C VAL A 15 -1.411 -1.348 -1.192 1.00 0.00 C ATOM 175 O VAL A 15 -0.265 -1.038 -0.849 1.00 0.00 O ATOM 176 CB VAL A 15 -2.051 -2.943 -3.085 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.483 -3.056 -4.550 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.827 -3.844 -2.872 1.00 0.00 C ATOM 0 H VAL A 15 0.202 -1.010 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.718 -0.925 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.859 -3.283 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.655 -4.103 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.402 -2.491 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.699 -2.655 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.066 -4.862 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.007 -3.472 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.551 -3.840 -1.818 1.00 0.00 H new ATOM 188 N PHE A 16 -2.353 -1.658 -0.308 1.00 0.00 N ATOM 189 CA PHE A 16 -2.052 -2.001 1.068 1.00 0.00 C ATOM 190 C PHE A 16 -2.243 -3.507 1.196 1.00 0.00 C ATOM 191 O PHE A 16 -3.330 -4.016 0.897 1.00 0.00 O ATOM 192 CB PHE A 16 -2.930 -1.197 2.027 1.00 0.00 C ATOM 193 CG PHE A 16 -2.624 0.288 2.006 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.564 0.795 2.783 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.351 1.154 1.168 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.225 2.157 2.714 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.017 2.517 1.107 1.00 0.00 C ATOM 198 CZ PHE A 16 -1.953 3.018 1.875 1.00 0.00 C ATOM 0 H PHE A 16 -3.348 -1.677 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.027 -1.746 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.977 -1.350 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.794 -1.576 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.010 0.135 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.166 0.771 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.407 2.541 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.580 3.181 0.468 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.694 4.065 1.821 1.00 0.00 H new ATOM 208 N ALA A 17 -1.207 -4.230 1.610 1.00 0.00 N ATOM 209 CA ALA A 17 -1.233 -5.670 1.827 1.00 0.00 C ATOM 210 C ALA A 17 -1.566 -5.957 3.293 1.00 0.00 C ATOM 211 O ALA A 17 -0.996 -5.327 4.184 1.00 0.00 O ATOM 212 CB ALA A 17 0.137 -6.245 1.464 1.00 0.00 C ATOM 0 H ALA A 17 -0.297 -3.815 1.810 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.995 -6.135 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.132 -7.324 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.355 -6.032 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.901 -5.790 2.094 1.00 0.00 H new ATOM 218 N LYS A 18 -2.470 -6.906 3.572 1.00 0.00 N ATOM 219 CA LYS A 18 -2.829 -7.268 4.942 1.00 0.00 C ATOM 220 C LYS A 18 -2.219 -8.618 5.267 1.00 0.00 C ATOM 221 O LYS A 18 -2.657 -9.643 4.748 1.00 0.00 O ATOM 222 CB LYS A 18 -4.355 -7.274 5.141 1.00 0.00 C ATOM 223 CG LYS A 18 -4.764 -7.313 6.621 1.00 0.00 C ATOM 224 CD LYS A 18 -4.287 -6.085 7.423 1.00 0.00 C ATOM 225 CE LYS A 18 -4.990 -5.964 8.779 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.616 -7.066 9.690 1.00 0.00 N ATOM 0 H LYS A 18 -2.967 -7.438 2.858 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.431 -6.520 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.781 -6.385 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.780 -8.137 4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.850 -7.382 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.359 -8.216 7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.210 -6.153 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.468 -5.181 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.733 -5.009 9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.070 -5.966 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.243 -7.059 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.710 -7.975 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.631 -6.941 10.000 1.00 0.00 H new ATOM 240 N MET A 19 -1.200 -8.634 6.119 1.00 0.00 N ATOM 241 CA MET A 19 -0.728 -9.863 6.744 1.00 0.00 C ATOM 242 C MET A 19 -1.552 -10.118 8.014 1.00 0.00 C ATOM 243 O MET A 19 -2.245 -9.223 8.515 1.00 0.00 O ATOM 244 CB MET A 19 0.764 -9.709 7.074 1.00 0.00 C ATOM 245 CG MET A 19 1.639 -9.626 5.817 1.00 0.00 C ATOM 246 SD MET A 19 3.307 -8.996 6.137 1.00 0.00 S ATOM 247 CE MET A 19 4.031 -10.407 6.999 1.00 0.00 C ATOM 0 H MET A 19 -0.681 -7.800 6.394 1.00 0.00 H new ATOM 0 HA MET A 19 -0.849 -10.714 6.073 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.909 -8.810 7.674 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.087 -10.554 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.713 -10.617 5.370 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.150 -8.982 5.086 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.057 -10.173 7.282 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.448 -10.625 7.894 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.026 -11.277 6.342 1.00 0.00 H new ATOM 257 N LYS A 20 -1.438 -11.328 8.567 1.00 0.00 N ATOM 258 CA LYS A 20 -1.862 -11.630 9.932 1.00 0.00 C ATOM 259 C LYS A 20 -1.110 -10.713 10.892 1.00 0.00 C ATOM 260 O LYS A 20 0.045 -10.371 10.620 1.00 0.00 O ATOM 261 CB LYS A 20 -1.543 -13.099 10.269 1.00 0.00 C ATOM 262 CG LYS A 20 -2.694 -13.812 11.004 1.00 0.00 C ATOM 263 CD LYS A 20 -3.414 -14.793 10.078 1.00 0.00 C ATOM 264 CE LYS A 20 -2.500 -15.994 9.806 1.00 0.00 C ATOM 265 NZ LYS A 20 -2.831 -16.689 8.552 1.00 0.00 N ATOM 0 H LYS A 20 -1.046 -12.130 8.074 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.936 -11.472 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.319 -13.637 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.646 -13.138 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.302 -14.345 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.403 -13.074 11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.346 -15.126 10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.677 -14.301 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.465 -15.655 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.574 -16.697 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.183 -17.491 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.810 -17.038 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.735 -16.029 7.754 1.00 0.00 H new ATOM 279 N GLY A 21 -1.711 -10.367 12.027 1.00 0.00 N ATOM 280 CA GLY A 21 -1.110 -9.521 13.046 1.00 0.00 C ATOM 281 C GLY A 21 -1.020 -8.066 12.600 1.00 0.00 C ATOM 282 O GLY A 21 -1.698 -7.214 13.170 1.00 0.00 O ATOM 0 H GLY A 21 -2.653 -10.676 12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.697 -9.584 13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.112 -9.890 13.282 1.00 0.00 H new ATOM 286 N TYR A 22 -0.173 -7.782 11.611 1.00 0.00 N ATOM 287 CA TYR A 22 0.209 -6.461 11.127 1.00 0.00 C ATOM 288 C TYR A 22 -1.000 -5.618 10.702 1.00 0.00 C ATOM 289 O TYR A 22 -2.049 -6.148 10.323 1.00 0.00 O ATOM 290 CB TYR A 22 1.165 -6.629 9.930 1.00 0.00 C ATOM 291 CG TYR A 22 2.531 -7.215 10.253 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.586 -6.380 10.677 1.00 0.00 C ATOM 293 CD2 TYR A 22 2.764 -8.591 10.073 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.863 -6.921 10.930 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.026 -9.143 10.344 1.00 0.00 C ATOM 296 CZ TYR A 22 5.082 -8.312 10.774 1.00 0.00 C ATOM 297 OH TYR A 22 6.298 -8.849 11.073 1.00 0.00 O ATOM 0 H TYR A 22 0.296 -8.524 11.092 1.00 0.00 H new ATOM 0 HA TYR A 22 0.697 -5.933 11.946 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.682 -7.267 9.190 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.309 -5.654 9.464 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.415 -5.322 10.808 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.965 -9.228 9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.672 -6.277 11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.189 -10.204 10.223 1.00 0.00 H new ATOM 0 HH TYR A 22 6.278 -9.815 10.911 1.00 0.00 H new ATOM 307 N PRO A 23 -0.831 -4.285 10.723 1.00 0.00 N ATOM 308 CA PRO A 23 -1.709 -3.348 10.039 1.00 0.00 C ATOM 309 C PRO A 23 -1.625 -3.567 8.518 1.00 0.00 C ATOM 310 O PRO A 23 -0.792 -4.333 8.032 1.00 0.00 O ATOM 311 CB PRO A 23 -1.210 -1.958 10.468 1.00 0.00 C ATOM 312 CG PRO A 23 0.260 -2.177 10.820 1.00 0.00 C ATOM 313 CD PRO A 23 0.320 -3.607 11.295 1.00 0.00 C ATOM 0 HA PRO A 23 -2.761 -3.474 10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.323 -1.230 9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.772 -1.580 11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.904 -2.018 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.591 -1.486 11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.247 -4.082 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.296 -3.655 12.384 1.00 0.00 H new ATOM 321 N HIS A 24 -2.475 -2.873 7.761 1.00 0.00 N ATOM 322 CA HIS A 24 -2.407 -2.804 6.304 1.00 0.00 C ATOM 323 C HIS A 24 -1.078 -2.139 5.956 1.00 0.00 C ATOM 324 O HIS A 24 -0.902 -0.951 6.251 1.00 0.00 O ATOM 325 CB HIS A 24 -3.593 -2.004 5.730 1.00 0.00 C ATOM 326 CG HIS A 24 -4.877 -2.150 6.490 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.207 -1.461 7.632 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.898 -3.004 6.195 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.395 -1.920 8.047 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.843 -2.874 7.217 1.00 0.00 N ATOM 0 H HIS A 24 -3.246 -2.332 8.153 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.467 -3.801 5.867 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.322 -0.949 5.702 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.760 -2.317 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.964 -3.656 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.918 -1.571 8.925 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.709 -3.404 7.313 1.00 0.00 H new ATOM 338 N TRP A 25 -0.126 -2.909 5.436 1.00 0.00 N ATOM 339 CA TRP A 25 1.232 -2.460 5.183 1.00 0.00 C ATOM 340 C TRP A 25 1.313 -1.913 3.753 1.00 0.00 C ATOM 341 O TRP A 25 0.692 -2.497 2.860 1.00 0.00 O ATOM 342 CB TRP A 25 2.199 -3.632 5.403 1.00 0.00 C ATOM 343 CG TRP A 25 3.599 -3.214 5.725 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.556 -2.879 4.831 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.208 -3.044 7.041 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.690 -2.460 5.498 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.532 -2.545 6.866 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.768 -3.262 8.365 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.368 -2.253 7.955 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.604 -2.980 9.463 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.899 -2.467 9.263 1.00 0.00 C ATOM 0 H TRP A 25 -0.285 -3.882 5.175 1.00 0.00 H new ATOM 0 HA TRP A 25 1.513 -1.661 5.869 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.821 -4.254 6.214 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.213 -4.251 4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.450 -2.931 3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.538 -2.129 5.037 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.775 -3.651 8.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.363 -1.867 7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.248 -3.159 10.467 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.529 -2.239 10.110 1.00 0.00 H new ATOM 362 N PRO A 26 2.039 -0.812 3.499 1.00 0.00 N ATOM 363 CA PRO A 26 2.230 -0.301 2.145 1.00 0.00 C ATOM 364 C PRO A 26 3.031 -1.301 1.302 1.00 0.00 C ATOM 365 O PRO A 26 4.121 -1.706 1.712 1.00 0.00 O ATOM 366 CB PRO A 26 2.963 1.030 2.332 1.00 0.00 C ATOM 367 CG PRO A 26 3.689 0.897 3.667 1.00 0.00 C ATOM 368 CD PRO A 26 2.731 0.026 4.472 1.00 0.00 C ATOM 0 HA PRO A 26 1.293 -0.158 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.664 1.212 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.265 1.867 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.667 0.429 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.853 1.866 4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.272 -0.582 5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.025 0.638 5.033 1.00 0.00 H new ATOM 376 N ALA A 27 2.520 -1.697 0.133 1.00 0.00 N ATOM 377 CA ALA A 27 3.230 -2.593 -0.768 1.00 0.00 C ATOM 378 C ALA A 27 3.045 -2.169 -2.225 1.00 0.00 C ATOM 379 O ALA A 27 2.063 -1.510 -2.581 1.00 0.00 O ATOM 380 CB ALA A 27 2.747 -4.029 -0.538 1.00 0.00 C ATOM 0 H ALA A 27 1.605 -1.404 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 27 4.298 -2.542 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.277 -4.703 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.944 -4.318 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.676 -4.088 -0.733 1.00 0.00 H new ATOM 386 N ARG A 28 3.975 -2.578 -3.090 1.00 0.00 N ATOM 387 CA ARG A 28 3.908 -2.305 -4.526 1.00 0.00 C ATOM 388 C ARG A 28 3.478 -3.566 -5.259 1.00 0.00 C ATOM 389 O ARG A 28 3.747 -4.675 -4.783 1.00 0.00 O ATOM 390 CB ARG A 28 5.246 -1.713 -5.017 1.00 0.00 C ATOM 391 CG ARG A 28 6.352 -2.725 -5.353 1.00 0.00 C ATOM 392 CD ARG A 28 7.706 -2.071 -5.693 1.00 0.00 C ATOM 393 NE ARG A 28 7.972 -2.018 -7.141 1.00 0.00 N ATOM 394 CZ ARG A 28 8.640 -1.069 -7.808 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.206 -0.052 -7.167 1.00 0.00 N ATOM 396 NH2 ARG A 28 8.758 -1.163 -9.125 1.00 0.00 N ATOM 0 H ARG A 28 4.800 -3.110 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 28 3.154 -1.548 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.050 -1.112 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.623 -1.035 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.486 -3.398 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.030 -3.335 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.726 -1.059 -5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.505 -2.627 -5.202 1.00 0.00 H new ATOM 0 HE ARG A 28 7.606 -2.791 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.135 0.014 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.712 0.663 -7.690 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.342 -1.952 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.265 -0.446 -9.644 1.00 0.00 H new ATOM 410 N ILE A 29 2.834 -3.407 -6.414 1.00 0.00 N ATOM 411 CA ILE A 29 2.681 -4.491 -7.367 1.00 0.00 C ATOM 412 C ILE A 29 3.945 -4.452 -8.209 1.00 0.00 C ATOM 413 O ILE A 29 4.090 -3.581 -9.076 1.00 0.00 O ATOM 414 CB ILE A 29 1.396 -4.358 -8.208 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.128 -4.166 -7.356 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.226 -5.571 -9.143 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.219 -5.282 -6.375 1.00 0.00 C ATOM 0 H ILE A 29 2.409 -2.528 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 29 2.565 -5.454 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 29 1.517 -3.453 -8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.235 -3.239 -6.792 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.717 -4.032 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.313 -5.455 -9.727 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.081 -5.634 -9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.164 -6.483 -8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.132 -5.024 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.370 -6.213 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.597 -5.408 -5.663 1.00 0.00 H new ATOM 429 N ASP A 30 4.896 -5.331 -7.898 1.00 0.00 N ATOM 430 CA ASP A 30 6.086 -5.465 -8.725 1.00 0.00 C ATOM 431 C ASP A 30 5.739 -6.196 -10.027 1.00 0.00 C ATOM 432 O ASP A 30 4.576 -6.532 -10.277 1.00 0.00 O ATOM 433 CB ASP A 30 7.233 -6.133 -7.959 1.00 0.00 C ATOM 434 CG ASP A 30 8.533 -5.592 -8.547 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.833 -4.412 -8.266 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.158 -6.253 -9.405 1.00 0.00 O ATOM 0 H ASP A 30 4.864 -5.952 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 30 6.444 -4.470 -8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.168 -5.909 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.185 -7.217 -8.060 1.00 0.00 H new ATOM 441 N GLU A 31 6.722 -6.453 -10.878 1.00 0.00 N ATOM 442 CA GLU A 31 6.582 -7.201 -12.115 1.00 0.00 C ATOM 443 C GLU A 31 7.400 -8.489 -11.976 1.00 0.00 C ATOM 444 O GLU A 31 7.813 -8.844 -10.868 1.00 0.00 O ATOM 445 CB GLU A 31 6.959 -6.285 -13.293 1.00 0.00 C ATOM 446 CG GLU A 31 6.217 -6.691 -14.572 1.00 0.00 C ATOM 447 CD GLU A 31 6.356 -5.662 -15.694 1.00 0.00 C ATOM 448 OE1 GLU A 31 6.154 -4.446 -15.467 1.00 0.00 O ATOM 449 OE2 GLU A 31 6.587 -6.085 -16.847 1.00 0.00 O ATOM 0 H GLU A 31 7.677 -6.132 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 31 5.559 -7.516 -12.322 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.720 -5.251 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.035 -6.332 -13.463 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.599 -7.652 -14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.160 -6.831 -14.344 1.00 0.00 H new ATOM 597 N ASN A 42 -3.800 -16.791 -8.676 1.00 0.00 N ATOM 598 CA ASN A 42 -4.416 -15.619 -8.079 1.00 0.00 C ATOM 599 C ASN A 42 -3.551 -15.102 -6.946 1.00 0.00 C ATOM 600 O ASN A 42 -4.062 -14.898 -5.844 1.00 0.00 O ATOM 601 CB ASN A 42 -5.878 -15.884 -7.674 1.00 0.00 C ATOM 602 CG ASN A 42 -6.780 -15.923 -8.887 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.956 -14.913 -9.551 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.356 -17.064 -9.216 1.00 0.00 N ATOM 0 HA ASN A 42 -4.472 -14.825 -8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.944 -16.830 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.216 -15.105 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.960 -17.113 -10.037 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.197 -17.897 -8.650 1.00 0.00 H new ATOM 611 N LYS A 43 -2.246 -14.914 -7.192 1.00 0.00 N ATOM 612 CA LYS A 43 -1.354 -14.180 -6.303 1.00 0.00 C ATOM 613 C LYS A 43 -0.408 -13.338 -7.147 1.00 0.00 C ATOM 614 O LYS A 43 0.026 -13.780 -8.209 1.00 0.00 O ATOM 615 CB LYS A 43 -0.560 -15.101 -5.360 1.00 0.00 C ATOM 616 CG LYS A 43 -1.437 -15.937 -4.408 1.00 0.00 C ATOM 617 CD LYS A 43 -0.699 -16.256 -3.107 1.00 0.00 C ATOM 618 CE LYS A 43 -1.590 -16.985 -2.103 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.852 -17.321 -0.870 1.00 0.00 N ATOM 0 H LYS A 43 -1.782 -15.274 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.964 -13.543 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.052 -15.776 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.123 -14.493 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.355 -15.393 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.729 -16.865 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.175 -16.869 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.334 -15.330 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.448 -16.360 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.979 -17.897 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.486 -17.815 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.047 -17.937 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.502 -16.448 -0.426 1.00 0.00 H new ATOM 633 N TYR A 44 -0.052 -12.167 -6.639 1.00 0.00 N ATOM 634 CA TYR A 44 0.798 -11.173 -7.277 1.00 0.00 C ATOM 635 C TYR A 44 2.114 -11.012 -6.487 1.00 0.00 C ATOM 636 O TYR A 44 2.135 -11.340 -5.295 1.00 0.00 O ATOM 637 CB TYR A 44 0.013 -9.857 -7.366 1.00 0.00 C ATOM 638 CG TYR A 44 -1.310 -9.946 -8.092 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.327 -9.900 -9.498 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.516 -10.037 -7.371 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.543 -9.945 -10.195 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.737 -10.088 -8.064 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.754 -10.028 -9.478 1.00 0.00 C ATOM 644 OH TYR A 44 -4.935 -10.081 -10.149 1.00 0.00 O ATOM 0 H TYR A 44 -0.368 -11.868 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 44 1.072 -11.487 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.169 -9.492 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.635 -9.114 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.398 -9.830 -10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.502 -10.067 -6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.552 -9.916 -11.275 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.664 -10.173 -7.517 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.674 -10.137 -9.507 1.00 0.00 H new ATOM 654 N PRO A 45 3.228 -10.591 -7.126 1.00 0.00 N ATOM 655 CA PRO A 45 4.501 -10.288 -6.461 1.00 0.00 C ATOM 656 C PRO A 45 4.382 -9.034 -5.585 1.00 0.00 C ATOM 657 O PRO A 45 4.544 -7.905 -6.062 1.00 0.00 O ATOM 658 CB PRO A 45 5.516 -10.108 -7.598 1.00 0.00 C ATOM 659 CG PRO A 45 4.662 -9.594 -8.753 1.00 0.00 C ATOM 660 CD PRO A 45 3.331 -10.314 -8.554 1.00 0.00 C ATOM 0 HA PRO A 45 4.810 -11.082 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.299 -9.399 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.009 -11.047 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.543 -8.511 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.107 -9.832 -9.719 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.499 -9.695 -8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.297 -11.237 -9.133 1.00 0.00 H new ATOM 668 N ILE A 46 4.047 -9.208 -4.308 1.00 0.00 N ATOM 669 CA ILE A 46 3.829 -8.112 -3.373 1.00 0.00 C ATOM 670 C ILE A 46 5.170 -7.887 -2.679 1.00 0.00 C ATOM 671 O ILE A 46 5.743 -8.815 -2.098 1.00 0.00 O ATOM 672 CB ILE A 46 2.642 -8.453 -2.434 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.314 -8.574 -3.219 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.440 -7.467 -1.278 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.706 -7.239 -3.667 1.00 0.00 C ATOM 0 H ILE A 46 3.918 -10.129 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 46 3.531 -7.177 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 46 2.917 -9.412 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.484 -9.193 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.587 -9.097 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.590 -7.784 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.336 -7.444 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.250 -6.471 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.221 -7.425 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.498 -6.622 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.409 -6.720 -4.318 1.00 0.00 H new ATOM 687 N PHE A 47 5.698 -6.671 -2.797 1.00 0.00 N ATOM 688 CA PHE A 47 6.936 -6.232 -2.170 1.00 0.00 C ATOM 689 C PHE A 47 6.555 -5.175 -1.139 1.00 0.00 C ATOM 690 O PHE A 47 5.940 -4.158 -1.476 1.00 0.00 O ATOM 691 CB PHE A 47 7.919 -5.747 -3.240 1.00 0.00 C ATOM 692 CG PHE A 47 9.128 -4.985 -2.729 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.277 -5.692 -2.326 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.140 -3.573 -2.721 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.446 -4.998 -1.969 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.315 -2.884 -2.380 1.00 0.00 C ATOM 697 CZ PHE A 47 11.471 -3.594 -2.018 1.00 0.00 C ATOM 0 H PHE A 47 5.256 -5.939 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 47 7.458 -7.038 -1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.270 -6.612 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.380 -5.108 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.260 -6.771 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.246 -3.023 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.324 -5.544 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.330 -1.804 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.379 -3.061 -1.777 1.00 0.00 H new ATOM 707 N PHE A 48 6.822 -5.485 0.128 1.00 0.00 N ATOM 708 CA PHE A 48 6.363 -4.761 1.302 1.00 0.00 C ATOM 709 C PHE A 48 7.362 -3.655 1.609 1.00 0.00 C ATOM 710 O PHE A 48 8.381 -3.925 2.250 1.00 0.00 O ATOM 711 CB PHE A 48 6.261 -5.722 2.495 1.00 0.00 C ATOM 712 CG PHE A 48 5.195 -6.791 2.389 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.405 -7.938 1.599 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.003 -6.656 3.122 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.434 -8.950 1.560 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.030 -7.666 3.077 1.00 0.00 C ATOM 717 CZ PHE A 48 3.258 -8.827 2.318 1.00 0.00 C ATOM 0 H PHE A 48 7.396 -6.292 0.372 1.00 0.00 H new ATOM 0 HA PHE A 48 5.379 -4.330 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.227 -6.210 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.073 -5.136 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.313 -8.038 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.836 -5.773 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.591 -9.825 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.107 -7.551 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.529 -9.624 2.318 1.00 0.00 H new ATOM 727 N PHE A 49 7.085 -2.431 1.163 1.00 0.00 N ATOM 728 CA PHE A 49 7.975 -1.284 1.293 1.00 0.00 C ATOM 729 C PHE A 49 8.444 -1.076 2.747 1.00 0.00 C ATOM 730 O PHE A 49 7.741 -1.408 3.708 1.00 0.00 O ATOM 731 CB PHE A 49 7.257 -0.043 0.740 1.00 0.00 C ATOM 732 CG PHE A 49 7.412 0.191 -0.748 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.706 0.350 -1.279 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.292 0.399 -1.578 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.885 0.716 -2.620 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.473 0.831 -2.899 1.00 0.00 C ATOM 737 CZ PHE A 49 7.762 0.957 -3.432 1.00 0.00 C ATOM 0 H PHE A 49 6.211 -2.206 0.688 1.00 0.00 H new ATOM 0 HA PHE A 49 8.881 -1.466 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.194 -0.128 0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.627 0.835 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.568 0.189 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.296 0.226 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.880 0.813 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.614 1.068 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.894 1.239 -4.466 1.00 0.00 H new ATOM 747 N GLY A 50 9.645 -0.517 2.923 1.00 0.00 N ATOM 748 CA GLY A 50 10.274 -0.238 4.213 1.00 0.00 C ATOM 749 C GLY A 50 10.910 -1.487 4.821 1.00 0.00 C ATOM 750 O GLY A 50 12.092 -1.490 5.183 1.00 0.00 O ATOM 0 H GLY A 50 10.229 -0.235 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.035 0.532 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.529 0.161 4.901 1.00 0.00 H new ATOM 754 N THR A 51 10.137 -2.563 4.940 1.00 0.00 N ATOM 755 CA THR A 51 10.641 -3.898 5.245 1.00 0.00 C ATOM 756 C THR A 51 11.417 -4.475 4.052 1.00 0.00 C ATOM 757 O THR A 51 12.377 -5.214 4.242 1.00 0.00 O ATOM 758 CB THR A 51 9.461 -4.793 5.672 1.00 0.00 C ATOM 759 OG1 THR A 51 8.250 -4.459 5.003 1.00 0.00 O ATOM 760 CG2 THR A 51 9.195 -4.592 7.169 1.00 0.00 C ATOM 0 H THR A 51 9.124 -2.530 4.825 1.00 0.00 H new ATOM 0 HA THR A 51 11.348 -3.850 6.073 1.00 0.00 H new ATOM 0 HB THR A 51 9.741 -5.817 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.434 -4.297 4.054 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.361 -5.222 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.085 -4.864 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.949 -3.547 7.358 1.00 0.00 H new ATOM 768 N HIS A 52 11.024 -4.108 2.828 1.00 0.00 N ATOM 769 CA HIS A 52 11.533 -4.622 1.559 1.00 0.00 C ATOM 770 C HIS A 52 11.463 -6.163 1.488 1.00 0.00 C ATOM 771 O HIS A 52 12.223 -6.817 0.770 1.00 0.00 O ATOM 772 CB HIS A 52 12.892 -3.960 1.281 1.00 0.00 C ATOM 773 CG HIS A 52 12.819 -2.448 1.353 1.00 0.00 C ATOM 774 ND1 HIS A 52 13.577 -1.629 2.163 1.00 0.00 N ATOM 775 CD2 HIS A 52 11.879 -1.657 0.747 1.00 0.00 C ATOM 776 CE1 HIS A 52 13.110 -0.376 2.027 1.00 0.00 C ATOM 777 NE2 HIS A 52 12.060 -0.350 1.191 1.00 0.00 N ATOM 0 H HIS A 52 10.300 -3.403 2.692 1.00 0.00 H new ATOM 0 HA HIS A 52 10.894 -4.341 0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.624 -4.321 2.003 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.244 -4.258 0.293 1.00 0.00 H new ATOM 0 HD1 HIS A 52 14.352 -1.921 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.128 -1.990 0.046 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.523 0.491 2.522 1.00 0.00 H new ATOM 785 N GLU A 53 10.524 -6.729 2.251 1.00 0.00 N ATOM 786 CA GLU A 53 10.124 -8.124 2.252 1.00 0.00 C ATOM 787 C GLU A 53 9.356 -8.435 0.967 1.00 0.00 C ATOM 788 O GLU A 53 8.846 -7.537 0.290 1.00 0.00 O ATOM 789 CB GLU A 53 9.212 -8.377 3.476 1.00 0.00 C ATOM 790 CG GLU A 53 9.882 -9.178 4.606 1.00 0.00 C ATOM 791 CD GLU A 53 9.257 -10.566 4.782 1.00 0.00 C ATOM 792 OE1 GLU A 53 8.050 -10.645 5.108 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.996 -11.572 4.629 1.00 0.00 O ATOM 0 H GLU A 53 9.992 -6.181 2.927 1.00 0.00 H new ATOM 0 HA GLU A 53 11.004 -8.765 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.881 -7.417 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.320 -8.911 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.945 -9.285 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.799 -8.623 5.541 1.00 0.00 H new ATOM 800 N THR A 54 9.184 -9.723 0.691 1.00 0.00 N ATOM 801 CA THR A 54 8.359 -10.242 -0.382 1.00 0.00 C ATOM 802 C THR A 54 7.404 -11.272 0.218 1.00 0.00 C ATOM 803 O THR A 54 7.742 -11.928 1.210 1.00 0.00 O ATOM 804 CB THR A 54 9.255 -10.862 -1.469 1.00 0.00 C ATOM 805 OG1 THR A 54 10.132 -11.835 -0.928 1.00 0.00 O ATOM 806 CG2 THR A 54 10.104 -9.821 -2.198 1.00 0.00 C ATOM 0 H THR A 54 9.636 -10.460 1.233 1.00 0.00 H new ATOM 0 HA THR A 54 7.779 -9.449 -0.853 1.00 0.00 H new ATOM 0 HB THR A 54 8.568 -11.323 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.686 -12.211 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.716 -10.315 -2.953 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.452 -9.092 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.751 -9.313 -1.482 1.00 0.00 H new ATOM 814 N ALA A 55 6.234 -11.445 -0.385 1.00 0.00 N ATOM 815 CA ALA A 55 5.454 -12.668 -0.325 1.00 0.00 C ATOM 816 C ALA A 55 4.479 -12.614 -1.486 1.00 0.00 C ATOM 817 O ALA A 55 4.037 -11.532 -1.871 1.00 0.00 O ATOM 818 CB ALA A 55 4.652 -12.778 0.980 1.00 0.00 C ATOM 0 H ALA A 55 5.792 -10.715 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 55 6.123 -13.527 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.084 -13.708 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.336 -12.770 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.966 -11.934 1.058 1.00 0.00 H new ATOM 824 N PHE A 56 4.019 -13.775 -1.940 1.00 0.00 N ATOM 825 CA PHE A 56 2.926 -13.805 -2.888 1.00 0.00 C ATOM 826 C PHE A 56 1.639 -13.778 -2.069 1.00 0.00 C ATOM 827 O PHE A 56 1.430 -14.630 -1.191 1.00 0.00 O ATOM 828 CB PHE A 56 3.059 -15.035 -3.801 1.00 0.00 C ATOM 829 CG PHE A 56 4.304 -15.033 -4.680 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.619 -13.904 -5.460 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.162 -16.148 -4.719 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.784 -13.875 -6.246 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.324 -16.119 -5.515 1.00 0.00 C ATOM 834 CZ PHE A 56 6.639 -14.983 -6.276 1.00 0.00 C ATOM 0 H PHE A 56 4.382 -14.689 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 56 2.928 -12.948 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.067 -15.933 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.178 -15.096 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.958 -13.050 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.929 -17.028 -4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.020 -12.996 -6.828 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.978 -16.978 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.534 -14.964 -6.880 1.00 0.00 H new ATOM 844 N LEU A 57 0.776 -12.797 -2.340 1.00 0.00 N ATOM 845 CA LEU A 57 -0.568 -12.674 -1.771 1.00 0.00 C ATOM 846 C LEU A 57 -1.559 -12.503 -2.915 1.00 0.00 C ATOM 847 O LEU A 57 -1.210 -11.952 -3.963 1.00 0.00 O ATOM 848 CB LEU A 57 -0.688 -11.478 -0.810 1.00 0.00 C ATOM 849 CG LEU A 57 0.086 -11.605 0.512 1.00 0.00 C ATOM 850 CD1 LEU A 57 -0.022 -10.279 1.275 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.470 -12.714 1.415 1.00 0.00 C ATOM 0 H LEU A 57 1.002 -12.039 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.779 -13.575 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.342 -10.583 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.742 -11.325 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 57 1.118 -11.852 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.523 -10.355 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.404 -9.477 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.070 -10.061 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.113 -12.761 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.511 -12.499 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.407 -13.671 0.897 1.00 0.00 H new ATOM 863 N GLY A 58 -2.786 -12.974 -2.716 1.00 0.00 N ATOM 864 CA GLY A 58 -3.894 -12.788 -3.631 1.00 0.00 C ATOM 865 C GLY A 58 -4.696 -11.555 -3.238 1.00 0.00 C ATOM 866 O GLY A 58 -4.576 -11.073 -2.109 1.00 0.00 O ATOM 0 H GLY A 58 -3.039 -13.511 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.521 -12.679 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.537 -13.668 -3.620 1.00 0.00 H new ATOM 870 N PRO A 59 -5.558 -11.063 -4.136 1.00 0.00 N ATOM 871 CA PRO A 59 -6.219 -9.776 -3.974 1.00 0.00 C ATOM 872 C PRO A 59 -7.210 -9.780 -2.808 1.00 0.00 C ATOM 873 O PRO A 59 -7.428 -8.750 -2.177 1.00 0.00 O ATOM 874 CB PRO A 59 -6.890 -9.497 -5.314 1.00 0.00 C ATOM 875 CG PRO A 59 -7.064 -10.865 -5.973 1.00 0.00 C ATOM 876 CD PRO A 59 -5.942 -11.715 -5.376 1.00 0.00 C ATOM 0 HA PRO A 59 -5.510 -8.989 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.851 -9.002 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.278 -8.839 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.044 -11.290 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.979 -10.798 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.281 -12.734 -5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.096 -11.780 -6.060 1.00 0.00 H new ATOM 884 N LYS A 60 -7.713 -10.959 -2.437 1.00 0.00 N ATOM 885 CA LYS A 60 -8.472 -11.210 -1.217 1.00 0.00 C ATOM 886 C LYS A 60 -7.761 -10.767 0.066 1.00 0.00 C ATOM 887 O LYS A 60 -8.419 -10.656 1.100 1.00 0.00 O ATOM 888 CB LYS A 60 -8.815 -12.706 -1.168 1.00 0.00 C ATOM 889 CG LYS A 60 -7.570 -13.590 -0.967 1.00 0.00 C ATOM 890 CD LYS A 60 -7.776 -14.975 -1.577 1.00 0.00 C ATOM 891 CE LYS A 60 -6.596 -15.879 -1.216 1.00 0.00 C ATOM 892 NZ LYS A 60 -6.649 -17.136 -1.982 1.00 0.00 N ATOM 0 H LYS A 60 -7.596 -11.798 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.375 -10.601 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.520 -12.887 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.314 -12.992 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.703 -13.113 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.356 -13.686 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.705 -15.410 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.868 -14.896 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.659 -15.361 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.612 -16.097 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.840 -17.735 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.534 -17.637 -1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.611 -16.924 -3.000 1.00 0.00 H new ATOM 906 N ASP A 61 -6.456 -10.496 0.033 1.00 0.00 N ATOM 907 CA ASP A 61 -5.649 -10.054 1.174 1.00 0.00 C ATOM 908 C ASP A 61 -5.060 -8.659 0.915 1.00 0.00 C ATOM 909 O ASP A 61 -4.251 -8.165 1.705 1.00 0.00 O ATOM 910 CB ASP A 61 -4.555 -11.095 1.476 1.00 0.00 C ATOM 911 CG ASP A 61 -5.133 -12.420 1.975 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.886 -12.437 2.963 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.818 -13.470 1.353 1.00 0.00 O ATOM 0 H ASP A 61 -5.909 -10.581 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.286 -9.973 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.969 -11.274 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.873 -10.694 2.226 1.00 0.00 H new ATOM 918 N LEU A 62 -5.460 -7.996 -0.179 1.00 0.00 N ATOM 919 CA LEU A 62 -5.010 -6.665 -0.581 1.00 0.00 C ATOM 920 C LEU A 62 -6.190 -5.696 -0.537 1.00 0.00 C ATOM 921 O LEU A 62 -7.344 -6.117 -0.398 1.00 0.00 O ATOM 922 CB LEU A 62 -4.415 -6.688 -2.004 1.00 0.00 C ATOM 923 CG LEU A 62 -3.307 -7.726 -2.248 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.804 -7.631 -3.691 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.124 -7.571 -1.288 1.00 0.00 C ATOM 0 H LEU A 62 -6.135 -8.393 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.233 -6.339 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.223 -6.873 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.016 -5.699 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.751 -8.704 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.020 -8.371 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.629 -7.822 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.405 -6.633 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.374 -8.331 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.684 -6.581 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.470 -7.690 -0.261 1.00 0.00 H new ATOM 937 N PHE A 63 -5.882 -4.403 -0.651 1.00 0.00 N ATOM 938 CA PHE A 63 -6.806 -3.288 -0.817 1.00 0.00 C ATOM 939 C PHE A 63 -6.122 -2.267 -1.740 1.00 0.00 C ATOM 940 O PHE A 63 -4.894 -2.138 -1.657 1.00 0.00 O ATOM 941 CB PHE A 63 -7.125 -2.645 0.544 1.00 0.00 C ATOM 942 CG PHE A 63 -8.001 -3.487 1.456 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.465 -4.589 2.147 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.362 -3.173 1.616 1.00 0.00 C ATOM 945 CE1 PHE A 63 -8.284 -5.417 2.931 1.00 0.00 C ATOM 946 CE2 PHE A 63 -10.174 -3.975 2.435 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.647 -5.108 3.079 1.00 0.00 C ATOM 0 H PHE A 63 -4.912 -4.089 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.747 -3.631 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.188 -2.432 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.618 -1.688 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.409 -4.801 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.783 -2.317 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.869 -6.287 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.214 -3.718 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.285 -5.736 3.683 1.00 0.00 H new ATOM 957 N PRO A 64 -6.863 -1.539 -2.596 1.00 0.00 N ATOM 958 CA PRO A 64 -6.279 -0.570 -3.513 1.00 0.00 C ATOM 959 C PRO A 64 -5.540 0.542 -2.767 1.00 0.00 C ATOM 960 O PRO A 64 -5.891 0.886 -1.641 1.00 0.00 O ATOM 961 CB PRO A 64 -7.427 -0.008 -4.361 1.00 0.00 C ATOM 962 CG PRO A 64 -8.715 -0.660 -3.853 1.00 0.00 C ATOM 963 CD PRO A 64 -8.304 -1.624 -2.742 1.00 0.00 C ATOM 0 HA PRO A 64 -5.532 -1.050 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.481 1.077 -4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.272 -0.230 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.408 0.092 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.225 -1.190 -4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.799 -1.363 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.604 -2.642 -2.989 1.00 0.00 H new ATOM 971 N TYR A 65 -4.535 1.145 -3.402 1.00 0.00 N ATOM 972 CA TYR A 65 -3.804 2.241 -2.784 1.00 0.00 C ATOM 973 C TYR A 65 -4.622 3.527 -2.741 1.00 0.00 C ATOM 974 O TYR A 65 -4.908 3.985 -1.638 1.00 0.00 O ATOM 975 CB TYR A 65 -2.456 2.437 -3.450 1.00 0.00 C ATOM 976 CG TYR A 65 -1.627 3.517 -2.810 1.00 0.00 C ATOM 977 CD1 TYR A 65 -0.997 3.258 -1.581 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.495 4.769 -3.434 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.226 4.254 -0.967 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.682 5.753 -2.850 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.056 5.499 -1.608 1.00 0.00 C ATOM 982 OH TYR A 65 0.684 6.463 -1.011 1.00 0.00 O ATOM 0 H TYR A 65 -4.213 0.893 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.618 1.968 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.903 1.498 -3.419 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.610 2.682 -4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.107 2.292 -1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.016 4.973 -4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.236 4.069 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.535 6.700 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 65 0.108 7.008 -0.435 1.00 0.00 H new ATOM 992 N LYS A 66 -5.012 4.112 -3.889 1.00 0.00 N ATOM 993 CA LYS A 66 -5.722 5.403 -3.920 1.00 0.00 C ATOM 994 C LYS A 66 -6.864 5.432 -2.909 1.00 0.00 C ATOM 995 O LYS A 66 -6.990 6.380 -2.137 1.00 0.00 O ATOM 996 CB LYS A 66 -6.280 5.721 -5.324 1.00 0.00 C ATOM 997 CG LYS A 66 -5.410 6.690 -6.146 1.00 0.00 C ATOM 998 CD LYS A 66 -6.252 7.280 -7.293 1.00 0.00 C ATOM 999 CE LYS A 66 -5.522 8.271 -8.212 1.00 0.00 C ATOM 1000 NZ LYS A 66 -4.927 9.416 -7.491 1.00 0.00 N ATOM 0 H LYS A 66 -4.846 3.708 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.988 6.164 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.389 4.789 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.278 6.147 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.033 7.489 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.542 6.167 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.630 6.459 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.118 7.782 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.735 7.743 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.223 8.646 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.451 10.044 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.676 9.943 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.235 9.068 -6.797 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.664 4.375 -2.876 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.888 4.315 -2.084 1.00 0.00 C ATOM 1016 C GLU A 67 -8.655 4.320 -0.575 1.00 0.00 C ATOM 1017 O GLU A 67 -9.580 4.656 0.172 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.701 3.087 -2.511 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.708 3.413 -3.623 1.00 0.00 C ATOM 1020 CD GLU A 67 -10.075 4.276 -4.714 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -9.233 3.756 -5.474 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -10.337 5.505 -4.715 1.00 0.00 O ATOM 0 H GLU A 67 -7.480 3.523 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.446 5.230 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.022 2.307 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.233 2.688 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.081 2.487 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.566 3.933 -3.198 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.442 4.010 -0.119 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.081 3.950 1.291 1.00 0.00 C ATOM 1031 C TYR A 68 -5.795 4.748 1.576 1.00 0.00 C ATOM 1032 O TYR A 68 -5.235 4.634 2.667 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.034 2.483 1.745 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.333 1.718 1.517 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.601 1.172 0.251 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.299 1.587 2.535 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.815 0.535 -0.015 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.513 0.912 2.287 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.779 0.389 1.001 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.951 -0.240 0.711 1.00 0.00 O ATOM 0 H TYR A 68 -6.664 3.788 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.846 4.439 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.228 1.976 1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.787 2.450 2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.857 1.246 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.109 2.006 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.015 0.152 -1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.238 0.795 3.079 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.515 -0.266 1.512 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.337 5.590 0.642 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.086 6.356 0.715 1.00 0.00 C ATOM 1052 C LYS A 69 -4.006 7.212 1.976 1.00 0.00 C ATOM 1053 O LYS A 69 -2.910 7.372 2.514 1.00 0.00 O ATOM 1054 CB LYS A 69 -3.945 7.207 -0.574 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.210 8.545 -0.372 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.142 9.439 -1.611 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.431 10.740 -1.196 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.101 11.629 -2.331 1.00 0.00 N ATOM 0 H LYS A 69 -5.850 5.764 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.249 5.661 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.413 6.623 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.939 7.408 -0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.704 9.096 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.194 8.337 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.597 8.942 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.143 9.651 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.066 11.282 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.513 10.488 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.625 12.483 -1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.470 11.130 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.975 11.900 -2.825 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.121 7.785 2.422 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.189 8.583 3.646 1.00 0.00 C ATOM 1074 C ASP A 70 -5.870 7.774 4.753 1.00 0.00 C ATOM 1075 O ASP A 70 -5.816 8.159 5.920 1.00 0.00 O ATOM 1076 CB ASP A 70 -5.999 9.874 3.411 1.00 0.00 C ATOM 1077 CG ASP A 70 -5.293 11.007 2.656 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -4.086 10.904 2.333 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -5.970 12.037 2.414 1.00 0.00 O ATOM 0 H ASP A 70 -6.015 7.708 1.938 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.172 8.844 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.903 9.612 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.315 10.258 4.381 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.568 6.682 4.421 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.372 5.904 5.362 1.00 0.00 C ATOM 1086 C LYS A 71 -6.499 4.880 6.073 1.00 0.00 C ATOM 1087 O LYS A 71 -6.436 4.860 7.301 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.548 5.258 4.611 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.663 4.791 5.555 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.876 4.280 4.756 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.158 5.084 5.025 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.997 4.477 6.079 1.00 0.00 N ATOM 0 H LYS A 71 -6.588 6.310 3.472 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.788 6.554 6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.956 5.974 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.184 4.407 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.289 3.999 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.968 5.614 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.645 4.321 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.052 3.233 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.891 6.100 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.736 5.159 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.848 5.057 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.276 3.517 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.458 4.429 6.967 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.840 4.013 5.309 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.892 3.024 5.797 1.00 0.00 C ATOM 1108 C PHE A 72 -3.489 3.625 5.825 1.00 0.00 C ATOM 1109 O PHE A 72 -2.733 3.329 6.756 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.913 1.790 4.888 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.182 0.948 4.899 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.286 1.237 5.732 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.250 -0.156 4.031 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.425 0.415 5.715 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.384 -0.982 4.019 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.470 -0.701 4.862 1.00 0.00 C ATOM 0 H PHE A 72 -5.958 3.981 4.296 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.173 2.726 6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.733 2.119 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.078 1.148 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.254 2.096 6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.424 -0.370 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.264 0.640 6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.421 -1.836 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.339 -1.342 4.855 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.158 4.476 4.847 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.872 5.140 4.696 1.00 0.00 C ATOM 1128 C GLY A 73 -1.651 6.194 5.778 1.00 0.00 C ATOM 1129 O GLY A 73 -1.717 7.388 5.504 1.00 0.00 O ATOM 0 H GLY A 73 -3.815 4.728 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.073 4.400 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.818 5.610 3.714 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.428 5.767 7.021 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.277 6.609 8.206 1.00 0.00 C ATOM 1135 C LYS A 74 -0.115 6.059 9.010 1.00 0.00 C ATOM 1136 O LYS A 74 0.104 4.845 8.999 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.554 6.588 9.062 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.767 7.303 8.450 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.637 8.838 8.396 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.346 9.382 6.990 1.00 0.00 C ATOM 1141 NZ LYS A 74 -1.987 9.933 6.810 1.00 0.00 N ATOM 0 H LYS A 74 -1.344 4.774 7.239 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.095 7.641 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.825 5.550 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.332 7.045 10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.923 6.927 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.655 7.045 9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.560 9.285 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.839 9.150 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.497 8.581 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.073 10.161 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.039 10.813 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.567 10.132 7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.397 9.242 6.304 1.00 0.00 H new ATOM 1155 N SER A 75 0.587 6.926 9.738 1.00 0.00 N ATOM 1156 CA SER A 75 1.716 6.535 10.558 1.00 0.00 C ATOM 1157 C SER A 75 1.272 5.512 11.608 1.00 0.00 C ATOM 1158 O SER A 75 0.584 5.857 12.575 1.00 0.00 O ATOM 1159 CB SER A 75 2.407 7.778 11.148 1.00 0.00 C ATOM 1160 OG SER A 75 1.508 8.671 11.788 1.00 0.00 O ATOM 0 H SER A 75 0.381 7.924 9.771 1.00 0.00 H new ATOM 0 HA SER A 75 2.469 6.038 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.163 7.458 11.865 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.928 8.308 10.351 1.00 0.00 H new ATOM 0 HG SER A 75 0.846 8.159 12.298 1.00 0.00 H new ATOM 1166 N ASN A 76 1.625 4.240 11.406 1.00 0.00 N ATOM 1167 CA ASN A 76 1.511 3.202 12.426 1.00 0.00 C ATOM 1168 C ASN A 76 2.849 3.115 13.134 1.00 0.00 C ATOM 1169 O ASN A 76 3.892 3.371 12.528 1.00 0.00 O ATOM 1170 CB ASN A 76 1.153 1.839 11.817 1.00 0.00 C ATOM 1171 CG ASN A 76 -0.343 1.729 11.582 1.00 0.00 C ATOM 1172 OD1 ASN A 76 -1.067 1.217 12.432 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.824 2.233 10.461 1.00 0.00 N ATOM 0 H ASN A 76 2.001 3.902 10.520 1.00 0.00 H new ATOM 0 HA ASN A 76 0.710 3.460 13.118 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.684 1.706 10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.481 1.041 12.483 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.827 2.205 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.193 2.651 9.777 1.00 0.00 H new ATOM 1180 N LYS A 77 2.844 2.690 14.393 1.00 0.00 N ATOM 1181 CA LYS A 77 4.052 2.616 15.205 1.00 0.00 C ATOM 1182 C LYS A 77 4.697 1.240 15.030 1.00 0.00 C ATOM 1183 O LYS A 77 4.933 0.511 15.995 1.00 0.00 O ATOM 1184 CB LYS A 77 3.714 2.967 16.661 1.00 0.00 C ATOM 1185 CG LYS A 77 4.997 3.334 17.421 1.00 0.00 C ATOM 1186 CD LYS A 77 4.822 3.233 18.933 1.00 0.00 C ATOM 1187 CE LYS A 77 4.061 4.415 19.532 1.00 0.00 C ATOM 1188 NZ LYS A 77 3.841 4.235 20.983 1.00 0.00 N ATOM 0 H LYS A 77 2.000 2.387 14.879 1.00 0.00 H new ATOM 0 HA LYS A 77 4.792 3.347 14.879 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.013 3.801 16.690 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.224 2.121 17.144 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.805 2.674 17.106 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.294 4.349 17.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.292 2.310 19.170 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.804 3.166 19.402 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.619 5.335 19.358 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.101 4.525 19.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.322 5.054 21.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.287 3.370 21.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.759 4.155 21.466 1.00 0.00 H new ATOM 1202 N ARG A 78 4.972 0.843 13.789 1.00 0.00 N ATOM 1203 CA ARG A 78 5.693 -0.382 13.471 1.00 0.00 C ATOM 1204 C ARG A 78 6.987 0.030 12.808 1.00 0.00 C ATOM 1205 O ARG A 78 6.963 0.812 11.861 1.00 0.00 O ATOM 1206 CB ARG A 78 4.830 -1.297 12.598 1.00 0.00 C ATOM 1207 CG ARG A 78 3.599 -1.817 13.342 1.00 0.00 C ATOM 1208 CD ARG A 78 3.931 -2.756 14.513 1.00 0.00 C ATOM 1209 NE ARG A 78 2.695 -3.065 15.239 1.00 0.00 N ATOM 1210 CZ ARG A 78 1.886 -4.102 15.021 1.00 0.00 C ATOM 1211 NH1 ARG A 78 2.333 -5.216 14.442 1.00 0.00 N ATOM 1212 NH2 ARG A 78 0.614 -3.977 15.366 1.00 0.00 N ATOM 0 H ARG A 78 4.694 1.375 12.964 1.00 0.00 H new ATOM 0 HA ARG A 78 5.921 -0.965 14.363 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.511 -0.753 11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.429 -2.141 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.029 -0.968 13.720 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.956 -2.344 12.637 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.390 -3.673 14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.653 -2.285 15.181 1.00 0.00 H new ATOM 0 HE ARG A 78 2.428 -2.423 15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.310 -5.286 14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.698 -5.999 14.284 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.282 -3.108 15.784 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.034 -4.750 15.214 1.00 0.00 H new ATOM 1226 N LYS A 79 8.118 -0.399 13.354 1.00 0.00 N ATOM 1227 CA LYS A 79 9.441 0.038 12.934 1.00 0.00 C ATOM 1228 C LYS A 79 9.689 -0.507 11.527 1.00 0.00 C ATOM 1229 O LYS A 79 9.927 -1.707 11.369 1.00 0.00 O ATOM 1230 CB LYS A 79 10.446 -0.447 13.984 1.00 0.00 C ATOM 1231 CG LYS A 79 11.853 0.142 13.824 1.00 0.00 C ATOM 1232 CD LYS A 79 12.758 -0.520 14.869 1.00 0.00 C ATOM 1233 CE LYS A 79 14.217 -0.080 14.795 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.495 1.196 15.486 1.00 0.00 N ATOM 0 H LYS A 79 8.140 -1.075 14.118 1.00 0.00 H new ATOM 0 HA LYS A 79 9.542 1.122 12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.069 -0.195 14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.511 -1.534 13.934 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.232 -0.042 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.833 1.223 13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.372 -0.296 15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.709 -1.602 14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.844 -0.860 15.228 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.505 0.015 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.504 1.429 15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.924 1.953 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.253 1.105 16.493 1.00 0.00 H new ATOM 1248 N GLY A 80 9.570 0.358 10.521 1.00 0.00 N ATOM 1249 CA GLY A 80 9.624 0.022 9.103 1.00 0.00 C ATOM 1250 C GLY A 80 8.444 0.631 8.343 1.00 0.00 C ATOM 1251 O GLY A 80 8.556 0.894 7.151 1.00 0.00 O ATOM 0 H GLY A 80 9.427 1.355 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.560 0.384 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.617 -1.061 8.983 1.00 0.00 H new ATOM 1255 N PHE A 81 7.317 0.885 9.016 1.00 0.00 N ATOM 1256 CA PHE A 81 6.070 1.276 8.371 1.00 0.00 C ATOM 1257 C PHE A 81 6.205 2.629 7.691 1.00 0.00 C ATOM 1258 O PHE A 81 5.838 2.779 6.532 1.00 0.00 O ATOM 1259 CB PHE A 81 4.946 1.327 9.411 1.00 0.00 C ATOM 1260 CG PHE A 81 3.556 1.370 8.805 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.020 2.574 8.311 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.808 0.184 8.698 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.761 2.574 7.689 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.543 0.190 8.090 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.025 1.387 7.574 1.00 0.00 C ATOM 0 H PHE A 81 7.249 0.823 10.032 1.00 0.00 H new ATOM 0 HA PHE A 81 5.831 0.535 7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.023 0.454 10.059 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.085 2.206 10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.575 3.495 8.410 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.210 -0.740 9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.357 3.495 7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.971 -0.723 8.020 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.060 1.394 7.089 1.00 0.00 H new ATOM 1275 N ASN A 82 6.685 3.634 8.429 1.00 0.00 N ATOM 1276 CA ASN A 82 6.740 5.001 7.919 1.00 0.00 C ATOM 1277 C ASN A 82 7.842 5.163 6.881 1.00 0.00 C ATOM 1278 O ASN A 82 7.756 6.044 6.036 1.00 0.00 O ATOM 1279 CB ASN A 82 6.915 6.007 9.059 1.00 0.00 C ATOM 1280 CG ASN A 82 5.643 6.079 9.881 1.00 0.00 C ATOM 1281 OD1 ASN A 82 4.690 6.743 9.494 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.568 5.338 10.975 1.00 0.00 N ATOM 0 H ASN A 82 7.040 3.524 9.379 1.00 0.00 H new ATOM 0 HA ASN A 82 5.788 5.206 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.752 5.711 9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.154 6.991 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.703 5.312 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.375 4.793 11.278 1.00 0.00 H new ATOM 1289 N GLU A 83 8.850 4.292 6.915 1.00 0.00 N ATOM 1290 CA GLU A 83 9.865 4.184 5.899 1.00 0.00 C ATOM 1291 C GLU A 83 9.215 3.724 4.599 1.00 0.00 C ATOM 1292 O GLU A 83 9.396 4.347 3.556 1.00 0.00 O ATOM 1293 CB GLU A 83 10.884 3.180 6.446 1.00 0.00 C ATOM 1294 CG GLU A 83 12.248 3.356 5.816 1.00 0.00 C ATOM 1295 CD GLU A 83 13.388 2.905 6.734 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.353 3.242 7.948 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.364 2.297 6.251 1.00 0.00 O ATOM 0 H GLU A 83 8.975 3.628 7.679 1.00 0.00 H new ATOM 0 HA GLU A 83 10.363 5.127 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.966 3.299 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.528 2.166 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.290 2.788 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.390 4.405 5.556 1.00 0.00 H new ATOM 1304 N GLY A 84 8.391 2.675 4.692 1.00 0.00 N ATOM 1305 CA GLY A 84 7.641 2.182 3.560 1.00 0.00 C ATOM 1306 C GLY A 84 6.600 3.184 3.075 1.00 0.00 C ATOM 1307 O GLY A 84 6.326 3.229 1.877 1.00 0.00 O ATOM 0 H GLY A 84 8.234 2.154 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.327 1.951 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.146 1.250 3.833 1.00 0.00 H new ATOM 1311 N LEU A 85 6.035 4.003 3.972 1.00 0.00 N ATOM 1312 CA LEU A 85 5.168 5.092 3.560 1.00 0.00 C ATOM 1313 C LEU A 85 5.947 6.104 2.721 1.00 0.00 C ATOM 1314 O LEU A 85 5.446 6.473 1.667 1.00 0.00 O ATOM 1315 CB LEU A 85 4.411 5.774 4.709 1.00 0.00 C ATOM 1316 CG LEU A 85 3.126 5.052 5.180 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.487 5.899 6.282 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.080 4.864 4.070 1.00 0.00 C ATOM 0 H LEU A 85 6.168 3.925 4.980 1.00 0.00 H new ATOM 0 HA LEU A 85 4.388 4.640 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.086 5.870 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.146 6.784 4.397 1.00 0.00 H new ATOM 0 HG LEU A 85 3.422 4.059 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.577 5.413 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.186 6.004 7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.242 6.885 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.208 4.351 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.781 5.838 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.508 4.269 3.263 1.00 0.00 H new ATOM 1330 N TRP A 86 7.148 6.540 3.121 1.00 0.00 N ATOM 1331 CA TRP A 86 7.908 7.477 2.291 1.00 0.00 C ATOM 1332 C TRP A 86 8.146 6.903 0.890 1.00 0.00 C ATOM 1333 O TRP A 86 7.991 7.640 -0.085 1.00 0.00 O ATOM 1334 CB TRP A 86 9.187 7.950 2.993 1.00 0.00 C ATOM 1335 CG TRP A 86 10.013 8.933 2.212 1.00 0.00 C ATOM 1336 CD1 TRP A 86 10.023 10.282 2.319 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.937 8.626 1.135 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.930 10.815 1.415 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.509 9.832 0.645 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.320 7.428 0.517 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.443 9.840 -0.401 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 12.233 7.425 -0.552 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.808 8.625 -1.001 1.00 0.00 C ATOM 0 H TRP A 86 7.604 6.267 3.992 1.00 0.00 H new ATOM 0 HA TRP A 86 7.309 8.377 2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.914 8.404 3.946 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.803 7.079 3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.417 10.856 3.004 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.141 11.809 1.331 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.908 6.493 0.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.876 10.769 -0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.494 6.493 -1.031 1.00 0.00 H new ATOM 0 HH2 TRP A 86 13.529 8.613 -1.805 1.00 0.00 H new ATOM 1354 N GLU A 87 8.469 5.610 0.770 1.00 0.00 N ATOM 1355 CA GLU A 87 8.698 4.975 -0.526 1.00 0.00 C ATOM 1356 C GLU A 87 7.426 4.968 -1.381 1.00 0.00 C ATOM 1357 O GLU A 87 7.487 5.360 -2.551 1.00 0.00 O ATOM 1358 CB GLU A 87 9.212 3.548 -0.362 1.00 0.00 C ATOM 1359 CG GLU A 87 10.728 3.504 -0.163 1.00 0.00 C ATOM 1360 CD GLU A 87 11.535 3.429 -1.466 1.00 0.00 C ATOM 1361 OE1 GLU A 87 11.706 4.469 -2.140 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.079 2.351 -1.809 1.00 0.00 O ATOM 0 H GLU A 87 8.578 4.981 1.565 1.00 0.00 H new ATOM 0 HA GLU A 87 9.458 5.566 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.721 3.082 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.945 2.963 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.036 4.391 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.977 2.641 0.455 1.00 0.00 H new ATOM 1369 N ILE A 88 6.304 4.495 -0.825 1.00 0.00 N ATOM 1370 CA ILE A 88 5.063 4.287 -1.568 1.00 0.00 C ATOM 1371 C ILE A 88 4.437 5.633 -1.949 1.00 0.00 C ATOM 1372 O ILE A 88 3.957 5.801 -3.066 1.00 0.00 O ATOM 1373 CB ILE A 88 4.105 3.365 -0.769 1.00 0.00 C ATOM 1374 CG1 ILE A 88 3.044 2.746 -1.685 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.388 4.096 0.372 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.318 1.541 -1.081 1.00 0.00 C ATOM 0 H ILE A 88 6.235 4.245 0.161 1.00 0.00 H new ATOM 0 HA ILE A 88 5.277 3.772 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 88 4.737 2.588 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.308 3.510 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.519 2.440 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.732 3.400 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.125 4.493 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.796 4.916 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.585 1.163 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.041 0.757 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.811 1.843 -0.165 1.00 0.00 H new ATOM 1388 N GLU A 89 4.494 6.622 -1.056 1.00 0.00 N ATOM 1389 CA GLU A 89 3.922 7.943 -1.272 1.00 0.00 C ATOM 1390 C GLU A 89 4.647 8.648 -2.431 1.00 0.00 C ATOM 1391 O GLU A 89 4.035 9.464 -3.128 1.00 0.00 O ATOM 1392 CB GLU A 89 4.016 8.744 0.040 1.00 0.00 C ATOM 1393 CG GLU A 89 3.090 8.236 1.168 1.00 0.00 C ATOM 1394 CD GLU A 89 1.822 9.067 1.371 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.857 10.026 2.177 1.00 0.00 O ATOM 1396 OE2 GLU A 89 0.748 8.742 0.807 1.00 0.00 O ATOM 0 H GLU A 89 4.948 6.521 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 89 2.872 7.862 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.047 8.718 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.776 9.787 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.804 7.207 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.652 8.219 2.102 1.00 0.00 H new ATOM 1403 N ASN A 90 5.920 8.308 -2.666 1.00 0.00 N ATOM 1404 CA ASN A 90 6.751 8.811 -3.762 1.00 0.00 C ATOM 1405 C ASN A 90 6.722 7.907 -5.000 1.00 0.00 C ATOM 1406 O ASN A 90 7.229 8.292 -6.058 1.00 0.00 O ATOM 1407 CB ASN A 90 8.193 8.971 -3.259 1.00 0.00 C ATOM 1408 CG ASN A 90 8.347 10.280 -2.505 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.352 11.349 -3.110 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.423 10.228 -1.188 1.00 0.00 N ATOM 0 H ASN A 90 6.419 7.646 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 90 6.342 9.772 -4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.453 8.136 -2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.884 8.946 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.488 11.090 -0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.417 9.326 -0.712 1.00 0.00 H new