USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HE2:sc= 0.213 K(o=-2.8,f=-8.7!) USER MOD Set 1.2: A 31 ASN : amide:sc= -2.05! C(o=-2.8!,f=-14!) USER MOD Set 1.3: A 34 ASN : amide:sc= -0.982 K(o=-2.8,f=-7.3) USER MOD Set 1.4: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -149:sc= 0.913 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 2.47 (180deg=2.35) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.0033 (180deg=-0.078) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00801 USER MOD Single : A 28 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.2) USER MOD Single : A 30 MET CE :methyl -175:sc= -1.53 (180deg=-1.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 70:sc= -0.96 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 92:sc= -1.68 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 0.344 (180deg=0.292) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0.658 (180deg=0.52) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 80:sc= 0.948 USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0611 (180deg=-0.351) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= 0.898 (180deg=-0.841!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.61! X(o=-1.6!,f=-1.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0203) USER MOD Single : A 77 LYS NZ :NH3+ 149:sc= 1.05 (180deg=0.599) USER MOD Single : A 84 THR OG1 : rot -12:sc= 1.04 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= -2.82! (180deg=-4.94!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 0.741 (180deg=-0.225!) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.406 USER MOD Single : A 101 GLN : amide:sc= -0.332 K(o=-0.33,f=-3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 12.863 0.023 1.308 1.00 0.00 N ATOM 78 CA ILE A 7 13.711 -1.172 1.358 1.00 0.00 C ATOM 79 C ILE A 7 13.296 -2.213 0.300 1.00 0.00 C ATOM 80 O ILE A 7 12.123 -2.301 -0.071 1.00 0.00 O ATOM 81 CB ILE A 7 13.671 -1.818 2.770 1.00 0.00 C ATOM 82 CG1 ILE A 7 14.629 -3.021 2.855 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.245 -2.232 3.135 1.00 0.00 C ATOM 84 CD1 ILE A 7 14.683 -3.674 4.222 1.00 0.00 C ATOM 0 HA ILE A 7 14.729 -0.850 1.138 1.00 0.00 H new ATOM 0 HB ILE A 7 14.005 -1.072 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.325 -3.766 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 7 15.632 -2.693 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.240 -2.682 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.599 -1.354 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.878 -2.955 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 7 15.380 -4.512 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.017 -2.945 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.691 -4.035 4.492 1.00 0.00 H new ATOM 96 N ALA A 8 14.264 -2.997 -0.180 1.00 0.00 N ATOM 97 CA ALA A 8 14.000 -4.051 -1.174 1.00 0.00 C ATOM 98 C ALA A 8 12.814 -4.945 -0.769 1.00 0.00 C ATOM 99 O ALA A 8 12.042 -5.391 -1.619 1.00 0.00 O ATOM 100 CB ALA A 8 15.252 -4.897 -1.388 1.00 0.00 C ATOM 0 H ALA A 8 15.242 -2.925 0.102 1.00 0.00 H new ATOM 0 HA ALA A 8 13.731 -3.560 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.045 -5.673 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.063 -4.263 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.544 -5.360 -0.445 1.00 0.00 H new ATOM 106 N GLY A 9 12.677 -5.204 0.533 1.00 0.00 N ATOM 107 CA GLY A 9 11.544 -5.980 1.038 1.00 0.00 C ATOM 108 C GLY A 9 10.188 -5.365 0.683 1.00 0.00 C ATOM 109 O GLY A 9 9.210 -6.082 0.458 1.00 0.00 O ATOM 0 H GLY A 9 13.330 -4.891 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.595 -6.991 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.625 -6.066 2.122 1.00 0.00 H new ATOM 113 N LEU A 10 10.132 -4.034 0.634 1.00 0.00 N ATOM 114 CA LEU A 10 8.908 -3.323 0.248 1.00 0.00 C ATOM 115 C LEU A 10 8.629 -3.505 -1.251 1.00 0.00 C ATOM 116 O LEU A 10 7.485 -3.701 -1.663 1.00 0.00 O ATOM 117 CB LEU A 10 9.032 -1.830 0.594 1.00 0.00 C ATOM 118 CG LEU A 10 7.773 -0.982 0.332 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.599 -1.478 1.177 1.00 0.00 C ATOM 120 CD2 LEU A 10 8.051 0.496 0.601 1.00 0.00 C ATOM 0 H LEU A 10 10.919 -3.424 0.856 1.00 0.00 H new ATOM 0 HA LEU A 10 8.071 -3.743 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.297 -1.740 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.858 -1.409 0.021 1.00 0.00 H new ATOM 0 HG LEU A 10 7.502 -1.090 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.721 -0.864 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.382 -2.516 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.856 -1.408 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.149 1.077 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.353 0.626 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.850 0.841 -0.055 1.00 0.00 H new ATOM 132 N GLU A 11 9.691 -3.446 -2.060 1.00 0.00 N ATOM 133 CA GLU A 11 9.581 -3.689 -3.504 1.00 0.00 C ATOM 134 C GLU A 11 9.122 -5.130 -3.779 1.00 0.00 C ATOM 135 O GLU A 11 8.356 -5.383 -4.710 1.00 0.00 O ATOM 136 CB GLU A 11 10.925 -3.414 -4.206 1.00 0.00 C ATOM 137 CG GLU A 11 11.418 -1.978 -4.051 1.00 0.00 C ATOM 138 CD GLU A 11 12.693 -1.702 -4.838 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.791 -2.019 -4.333 1.00 0.00 O ATOM 140 OE2 GLU A 11 12.602 -1.173 -5.969 1.00 0.00 O ATOM 0 H GLU A 11 10.636 -3.232 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 11 8.834 -3.005 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.679 -4.092 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.823 -3.641 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.637 -1.293 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.596 -1.772 -2.996 1.00 0.00 H new ATOM 147 N GLU A 12 9.590 -6.071 -2.951 1.00 0.00 N ATOM 148 CA GLU A 12 9.154 -7.470 -3.035 1.00 0.00 C ATOM 149 C GLU A 12 7.638 -7.585 -2.820 1.00 0.00 C ATOM 150 O GLU A 12 6.914 -8.118 -3.666 1.00 0.00 O ATOM 151 CB GLU A 12 9.881 -8.329 -1.987 1.00 0.00 C ATOM 152 CG GLU A 12 9.530 -9.814 -2.068 1.00 0.00 C ATOM 153 CD GLU A 12 10.013 -10.624 -0.873 1.00 0.00 C ATOM 154 OE1 GLU A 12 11.227 -10.618 -0.588 1.00 0.00 O ATOM 155 OE2 GLU A 12 9.185 -11.304 -0.232 1.00 0.00 O ATOM 0 H GLU A 12 10.271 -5.889 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 12 9.401 -7.833 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.957 -8.210 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.635 -7.959 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.448 -9.918 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.963 -10.231 -2.977 1.00 0.00 H new ATOM 162 N SER A 13 7.171 -7.077 -1.678 1.00 0.00 N ATOM 163 CA SER A 13 5.740 -7.084 -1.341 1.00 0.00 C ATOM 164 C SER A 13 4.897 -6.457 -2.459 1.00 0.00 C ATOM 165 O SER A 13 3.927 -7.053 -2.934 1.00 0.00 O ATOM 166 CB SER A 13 5.494 -6.324 -0.029 1.00 0.00 C ATOM 167 OG SER A 13 6.230 -6.889 1.047 1.00 0.00 O ATOM 0 H SER A 13 7.764 -6.653 -0.965 1.00 0.00 H new ATOM 0 HA SER A 13 5.438 -8.125 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.776 -5.279 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.430 -6.341 0.208 1.00 0.00 H new ATOM 0 HG SER A 13 5.739 -6.757 1.884 1.00 0.00 H new ATOM 173 N PHE A 14 5.287 -5.254 -2.885 1.00 0.00 N ATOM 174 CA PHE A 14 4.581 -4.541 -3.956 1.00 0.00 C ATOM 175 C PHE A 14 4.500 -5.387 -5.236 1.00 0.00 C ATOM 176 O PHE A 14 3.425 -5.557 -5.810 1.00 0.00 O ATOM 177 CB PHE A 14 5.280 -3.204 -4.259 1.00 0.00 C ATOM 178 CG PHE A 14 4.612 -2.407 -5.357 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.548 -1.566 -5.070 1.00 0.00 C ATOM 180 CD2 PHE A 14 5.036 -2.511 -6.676 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.921 -0.846 -6.069 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.413 -1.790 -7.678 1.00 0.00 C ATOM 183 CZ PHE A 14 3.353 -0.958 -7.374 1.00 0.00 C ATOM 0 H PHE A 14 6.089 -4.751 -2.505 1.00 0.00 H new ATOM 0 HA PHE A 14 3.565 -4.348 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.306 -2.603 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.314 -3.400 -4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.204 -1.472 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.862 -3.162 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.093 -0.196 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.755 -1.877 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.864 -0.397 -8.156 1.00 0.00 H new ATOM 193 N ARG A 15 5.640 -5.924 -5.668 1.00 0.00 N ATOM 194 CA ARG A 15 5.718 -6.684 -6.916 1.00 0.00 C ATOM 195 C ARG A 15 4.849 -7.953 -6.864 1.00 0.00 C ATOM 196 O ARG A 15 4.146 -8.278 -7.823 1.00 0.00 O ATOM 197 CB ARG A 15 7.179 -7.048 -7.196 1.00 0.00 C ATOM 198 CG ARG A 15 7.435 -7.547 -8.611 1.00 0.00 C ATOM 199 CD ARG A 15 8.910 -7.849 -8.830 1.00 0.00 C ATOM 200 NE ARG A 15 9.209 -8.140 -10.232 1.00 0.00 N ATOM 201 CZ ARG A 15 9.860 -9.192 -10.648 1.00 0.00 C ATOM 202 NH1 ARG A 15 10.253 -10.099 -9.814 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.115 -9.336 -11.905 1.00 0.00 N ATOM 0 H ARG A 15 6.527 -5.847 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 15 5.333 -6.061 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.802 -6.172 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.493 -7.816 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.846 -8.446 -8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.104 -6.797 -9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.507 -6.998 -8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.201 -8.699 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 15 8.886 -7.474 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.055 -9.997 -8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.761 -10.917 -10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.808 -8.628 -12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.624 -10.158 -12.231 1.00 0.00 H new ATOM 217 N LYS A 16 4.890 -8.658 -5.734 1.00 0.00 N ATOM 218 CA LYS A 16 4.098 -9.882 -5.555 1.00 0.00 C ATOM 219 C LYS A 16 2.585 -9.592 -5.563 1.00 0.00 C ATOM 220 O LYS A 16 1.791 -10.406 -6.040 1.00 0.00 O ATOM 221 CB LYS A 16 4.506 -10.598 -4.261 1.00 0.00 C ATOM 222 CG LYS A 16 5.910 -11.198 -4.314 1.00 0.00 C ATOM 223 CD LYS A 16 6.279 -11.885 -3.002 1.00 0.00 C ATOM 224 CE LYS A 16 7.629 -12.587 -3.084 1.00 0.00 C ATOM 225 NZ LYS A 16 8.024 -13.179 -1.780 1.00 0.00 N ATOM 0 H LYS A 16 5.461 -8.406 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 16 4.307 -10.537 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.452 -9.892 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.788 -11.391 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.968 -11.918 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.634 -10.412 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.303 -11.147 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.508 -12.611 -2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.586 -13.371 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.390 -11.875 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.931 -13.676 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.123 -12.424 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.294 -13.852 -1.469 1.00 0.00 H new ATOM 239 N PHE A 17 2.186 -8.436 -5.034 1.00 0.00 N ATOM 240 CA PHE A 17 0.786 -8.002 -5.122 1.00 0.00 C ATOM 241 C PHE A 17 0.475 -7.393 -6.503 1.00 0.00 C ATOM 242 O PHE A 17 -0.676 -7.377 -6.941 1.00 0.00 O ATOM 243 CB PHE A 17 0.442 -7.006 -4.005 1.00 0.00 C ATOM 244 CG PHE A 17 0.167 -7.661 -2.672 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.067 -8.247 -2.420 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.133 -7.694 -1.675 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.330 -8.849 -1.205 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.873 -8.296 -0.457 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.361 -8.874 -0.222 1.00 0.00 C ATOM 0 H PHE A 17 2.802 -7.787 -4.544 1.00 0.00 H new ATOM 0 HA PHE A 17 0.162 -8.887 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.267 -6.302 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.432 -6.427 -4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.830 -8.232 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.099 -7.244 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.294 -9.300 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.633 -8.315 0.310 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.566 -9.344 0.728 1.00 0.00 H new ATOM 259 N ALA A 18 1.507 -6.903 -7.189 1.00 0.00 N ATOM 260 CA ALA A 18 1.357 -6.385 -8.558 1.00 0.00 C ATOM 261 C ALA A 18 1.187 -7.531 -9.574 1.00 0.00 C ATOM 262 O ALA A 18 0.867 -7.305 -10.744 1.00 0.00 O ATOM 263 CB ALA A 18 2.548 -5.508 -8.926 1.00 0.00 C ATOM 0 H ALA A 18 2.458 -6.852 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 18 0.453 -5.777 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.423 -5.132 -9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.610 -4.669 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.464 -6.095 -8.867 1.00 0.00 H new ATOM 269 N ILE A 19 1.437 -8.759 -9.124 1.00 0.00 N ATOM 270 CA ILE A 19 1.136 -9.965 -9.909 1.00 0.00 C ATOM 271 C ILE A 19 0.100 -10.840 -9.184 1.00 0.00 C ATOM 272 O ILE A 19 -0.087 -12.012 -9.517 1.00 0.00 O ATOM 273 CB ILE A 19 2.411 -10.802 -10.191 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.081 -11.236 -8.874 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.384 -10.016 -11.069 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.313 -12.096 -9.062 1.00 0.00 C ATOM 0 H ILE A 19 1.851 -8.951 -8.212 1.00 0.00 H new ATOM 0 HA ILE A 19 0.727 -9.631 -10.863 1.00 0.00 H new ATOM 0 HB ILE A 19 2.120 -11.703 -10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.355 -10.346 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.356 -11.785 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.273 -10.618 -11.257 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.904 -9.773 -12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.670 -9.095 -10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.725 -12.359 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.044 -13.005 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.058 -11.544 -9.634 1.00 0.00 H new ATOM 288 N HIS A 20 -0.579 -10.257 -8.196 1.00 0.00 N ATOM 289 CA HIS A 20 -1.593 -10.972 -7.409 1.00 0.00 C ATOM 290 C HIS A 20 -2.777 -11.418 -8.288 1.00 0.00 C ATOM 291 O HIS A 20 -3.659 -10.622 -8.614 1.00 0.00 O ATOM 292 CB HIS A 20 -2.079 -10.076 -6.264 1.00 0.00 C ATOM 293 CG HIS A 20 -3.160 -10.677 -5.419 1.00 0.00 C ATOM 294 ND1 HIS A 20 -4.501 -10.534 -5.701 1.00 0.00 N ATOM 295 CD2 HIS A 20 -3.097 -11.414 -4.284 1.00 0.00 C ATOM 296 CE1 HIS A 20 -5.212 -11.153 -4.781 1.00 0.00 C ATOM 297 NE2 HIS A 20 -4.387 -11.693 -3.910 1.00 0.00 N ATOM 0 H HIS A 20 -0.446 -9.285 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.138 -11.872 -6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.230 -9.832 -5.625 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.443 -9.138 -6.683 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.884 -10.027 -6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.199 -11.724 -3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.290 -11.208 -4.747 1.00 0.00 H new ATOM 306 N GLY A 21 -2.777 -12.696 -8.663 1.00 0.00 N ATOM 307 CA GLY A 21 -3.802 -13.238 -9.552 1.00 0.00 C ATOM 308 C GLY A 21 -3.197 -13.951 -10.758 1.00 0.00 C ATOM 309 O GLY A 21 -3.588 -15.068 -11.100 1.00 0.00 O ATOM 0 H GLY A 21 -2.078 -13.376 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.431 -13.935 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.448 -12.430 -9.895 1.00 0.00 H new ATOM 313 N ASP A 22 -2.222 -13.300 -11.393 1.00 0.00 N ATOM 314 CA ASP A 22 -1.525 -13.855 -12.558 1.00 0.00 C ATOM 315 C ASP A 22 -0.012 -13.565 -12.481 1.00 0.00 C ATOM 316 O ASP A 22 0.394 -12.414 -12.311 1.00 0.00 O ATOM 317 CB ASP A 22 -2.099 -13.270 -13.854 1.00 0.00 C ATOM 318 CG ASP A 22 -3.556 -13.637 -14.066 1.00 0.00 C ATOM 319 OD1 ASP A 22 -3.828 -14.761 -14.540 1.00 0.00 O ATOM 320 OD2 ASP A 22 -4.439 -12.807 -13.772 1.00 0.00 O ATOM 0 H ASP A 22 -1.892 -12.375 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.675 -14.935 -12.557 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.001 -12.185 -13.833 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.512 -13.626 -14.700 1.00 0.00 H new ATOM 325 N PRO A 23 0.837 -14.606 -12.622 1.00 0.00 N ATOM 326 CA PRO A 23 2.307 -14.471 -12.529 1.00 0.00 C ATOM 327 C PRO A 23 2.889 -13.304 -13.353 1.00 0.00 C ATOM 328 O PRO A 23 3.889 -12.702 -12.966 1.00 0.00 O ATOM 329 CB PRO A 23 2.815 -15.813 -13.072 1.00 0.00 C ATOM 330 CG PRO A 23 1.720 -16.779 -12.767 1.00 0.00 C ATOM 331 CD PRO A 23 0.429 -16.004 -12.874 1.00 0.00 C ATOM 0 HA PRO A 23 2.614 -14.246 -11.507 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.010 -15.759 -14.143 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.749 -16.107 -12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.732 -17.614 -13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.839 -17.199 -11.768 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.025 -16.117 -13.858 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.304 -16.345 -12.143 1.00 0.00 H new ATOM 339 N LYS A 24 2.264 -12.995 -14.491 1.00 0.00 N ATOM 340 CA LYS A 24 2.727 -11.899 -15.357 1.00 0.00 C ATOM 341 C LYS A 24 1.635 -10.830 -15.550 1.00 0.00 C ATOM 342 O LYS A 24 1.579 -10.161 -16.587 1.00 0.00 O ATOM 343 CB LYS A 24 3.183 -12.465 -16.713 1.00 0.00 C ATOM 344 CG LYS A 24 2.088 -13.184 -17.498 1.00 0.00 C ATOM 345 CD LYS A 24 2.642 -13.837 -18.764 1.00 0.00 C ATOM 346 CE LYS A 24 1.551 -14.533 -19.573 1.00 0.00 C ATOM 347 NZ LYS A 24 0.560 -13.570 -20.123 1.00 0.00 N ATOM 0 H LYS A 24 1.438 -13.484 -14.837 1.00 0.00 H new ATOM 0 HA LYS A 24 3.572 -11.412 -14.871 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.572 -11.648 -17.321 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.007 -13.158 -16.545 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.626 -13.944 -16.868 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.305 -12.474 -17.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.124 -13.079 -19.382 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.410 -14.562 -18.492 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.007 -15.090 -20.391 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.039 -15.258 -18.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.071 -14.063 -20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.001 -13.167 -19.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.059 -12.806 -20.622 1.00 0.00 H new ATOM 361 N ALA A 25 0.794 -10.649 -14.529 1.00 0.00 N ATOM 362 CA ALA A 25 -0.306 -9.670 -14.574 1.00 0.00 C ATOM 363 C ALA A 25 0.181 -8.258 -14.947 1.00 0.00 C ATOM 364 O ALA A 25 -0.255 -7.677 -15.945 1.00 0.00 O ATOM 365 CB ALA A 25 -1.022 -9.633 -13.229 1.00 0.00 C ATOM 0 H ALA A 25 0.851 -11.169 -13.653 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.996 -9.992 -15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.834 -8.907 -13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.428 -10.620 -13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.317 -9.346 -12.449 1.00 0.00 H new ATOM 371 N SER A 26 1.072 -7.707 -14.131 1.00 0.00 N ATOM 372 CA SER A 26 1.627 -6.369 -14.377 1.00 0.00 C ATOM 373 C SER A 26 3.024 -6.231 -13.764 1.00 0.00 C ATOM 374 O SER A 26 3.930 -5.670 -14.382 1.00 0.00 O ATOM 375 CB SER A 26 0.691 -5.283 -13.821 1.00 0.00 C ATOM 376 OG SER A 26 -0.578 -5.320 -14.463 1.00 0.00 O ATOM 0 H SER A 26 1.430 -8.162 -13.291 1.00 0.00 H new ATOM 0 HA SER A 26 1.713 -6.236 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.563 -5.424 -12.748 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.144 -4.302 -13.962 1.00 0.00 H new ATOM 0 HG SER A 26 -1.154 -4.621 -14.090 1.00 0.00 H new ATOM 382 N GLY A 27 3.189 -6.717 -12.533 1.00 0.00 N ATOM 383 CA GLY A 27 4.515 -6.771 -11.910 1.00 0.00 C ATOM 384 C GLY A 27 4.998 -5.438 -11.339 1.00 0.00 C ATOM 385 O GLY A 27 5.689 -5.409 -10.320 1.00 0.00 O ATOM 0 H GLY A 27 2.431 -7.076 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.497 -7.510 -11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.237 -7.119 -12.649 1.00 0.00 H new ATOM 389 N GLN A 28 4.648 -4.336 -11.997 1.00 0.00 N ATOM 390 CA GLN A 28 5.075 -3.000 -11.554 1.00 0.00 C ATOM 391 C GLN A 28 3.872 -2.049 -11.369 1.00 0.00 C ATOM 392 O GLN A 28 3.959 -1.049 -10.655 1.00 0.00 O ATOM 393 CB GLN A 28 6.086 -2.430 -12.565 1.00 0.00 C ATOM 394 CG GLN A 28 6.815 -1.173 -12.105 1.00 0.00 C ATOM 395 CD GLN A 28 7.562 -1.358 -10.791 1.00 0.00 C ATOM 396 OE1 GLN A 28 7.036 -1.084 -9.718 1.00 0.00 O ATOM 397 NE2 GLN A 28 8.786 -1.841 -10.863 1.00 0.00 N ATOM 0 H GLN A 28 4.071 -4.335 -12.838 1.00 0.00 H new ATOM 0 HA GLN A 28 5.554 -3.090 -10.579 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.825 -3.199 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.562 -2.209 -13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.521 -0.868 -12.877 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.094 -0.363 -11.994 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.196 -2.059 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.324 -1.997 -10.010 1.00 0.00 H new ATOM 406 N GLU A 29 2.751 -2.360 -12.019 1.00 0.00 N ATOM 407 CA GLU A 29 1.503 -1.614 -11.814 1.00 0.00 C ATOM 408 C GLU A 29 0.578 -2.367 -10.842 1.00 0.00 C ATOM 409 O GLU A 29 0.451 -3.590 -10.917 1.00 0.00 O ATOM 410 CB GLU A 29 0.769 -1.387 -13.150 1.00 0.00 C ATOM 411 CG GLU A 29 1.555 -0.579 -14.186 1.00 0.00 C ATOM 412 CD GLU A 29 2.677 -1.369 -14.848 1.00 0.00 C ATOM 413 OE1 GLU A 29 2.376 -2.346 -15.566 1.00 0.00 O ATOM 414 OE2 GLU A 29 3.863 -1.012 -14.671 1.00 0.00 O ATOM 0 H GLU A 29 2.678 -3.123 -12.692 1.00 0.00 H new ATOM 0 HA GLU A 29 1.762 -0.645 -11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.519 -2.357 -13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.172 -0.875 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.869 -0.224 -14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.977 0.302 -13.704 1.00 0.00 H new ATOM 421 N MET A 30 -0.069 -1.634 -9.932 1.00 0.00 N ATOM 422 CA MET A 30 -0.974 -2.242 -8.945 1.00 0.00 C ATOM 423 C MET A 30 -2.372 -1.601 -8.976 1.00 0.00 C ATOM 424 O MET A 30 -2.506 -0.379 -8.948 1.00 0.00 O ATOM 425 CB MET A 30 -0.375 -2.120 -7.538 1.00 0.00 C ATOM 426 CG MET A 30 -1.264 -2.695 -6.443 1.00 0.00 C ATOM 427 SD MET A 30 -0.491 -2.642 -4.815 1.00 0.00 S ATOM 428 CE MET A 30 0.918 -3.717 -5.082 1.00 0.00 C ATOM 0 H MET A 30 0.015 -0.620 -9.856 1.00 0.00 H new ATOM 0 HA MET A 30 -1.086 -3.294 -9.206 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.588 -2.630 -7.517 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.184 -1.068 -7.324 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.201 -2.139 -6.413 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.513 -3.727 -6.688 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.450 -3.860 -4.142 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.574 -4.682 -5.454 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.588 -3.264 -5.813 1.00 0.00 H new ATOM 438 N ASN A 31 -3.409 -2.437 -9.025 1.00 0.00 N ATOM 439 CA ASN A 31 -4.799 -1.957 -9.031 1.00 0.00 C ATOM 440 C ASN A 31 -5.372 -1.866 -7.608 1.00 0.00 C ATOM 441 O ASN A 31 -4.890 -2.530 -6.688 1.00 0.00 O ATOM 442 CB ASN A 31 -5.678 -2.876 -9.897 1.00 0.00 C ATOM 443 CG ASN A 31 -5.626 -4.331 -9.469 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.642 -4.795 -8.905 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.683 -5.065 -9.749 1.00 0.00 N ATOM 0 H ASN A 31 -3.317 -3.452 -9.061 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.800 -0.954 -9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.710 -2.528 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.360 -2.798 -10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.700 -6.053 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.485 -4.646 -10.220 1.00 0.00 H new ATOM 452 N GLY A 32 -6.416 -1.052 -7.442 1.00 0.00 N ATOM 453 CA GLY A 32 -7.058 -0.880 -6.136 1.00 0.00 C ATOM 454 C GLY A 32 -7.549 -2.189 -5.530 1.00 0.00 C ATOM 455 O GLY A 32 -7.613 -2.331 -4.309 1.00 0.00 O ATOM 0 H GLY A 32 -6.835 -0.503 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.352 -0.412 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.901 -0.197 -6.240 1.00 0.00 H new ATOM 459 N LYS A 33 -7.900 -3.140 -6.390 1.00 0.00 N ATOM 460 CA LYS A 33 -8.295 -4.483 -5.952 1.00 0.00 C ATOM 461 C LYS A 33 -7.181 -5.158 -5.129 1.00 0.00 C ATOM 462 O LYS A 33 -7.397 -5.568 -3.984 1.00 0.00 O ATOM 463 CB LYS A 33 -8.651 -5.346 -7.171 1.00 0.00 C ATOM 464 CG LYS A 33 -9.918 -4.896 -7.896 1.00 0.00 C ATOM 465 CD LYS A 33 -10.282 -5.831 -9.048 1.00 0.00 C ATOM 466 CE LYS A 33 -11.555 -5.380 -9.750 1.00 0.00 C ATOM 467 NZ LYS A 33 -11.944 -6.296 -10.853 1.00 0.00 N ATOM 0 H LYS A 33 -7.920 -3.008 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.170 -4.386 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.817 -5.329 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.776 -6.380 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.745 -4.855 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.776 -3.886 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.462 -5.864 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.414 -6.844 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.367 -5.323 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.412 -4.375 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.816 -5.949 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.182 -6.332 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.107 -7.250 -10.471 1.00 0.00 H new ATOM 481 N ASN A 34 -5.985 -5.263 -5.711 1.00 0.00 N ATOM 482 CA ASN A 34 -4.847 -5.880 -5.020 1.00 0.00 C ATOM 483 C ASN A 34 -4.327 -4.984 -3.885 1.00 0.00 C ATOM 484 O ASN A 34 -3.795 -5.479 -2.894 1.00 0.00 O ATOM 485 CB ASN A 34 -3.720 -6.198 -6.008 1.00 0.00 C ATOM 486 CG ASN A 34 -4.122 -7.253 -7.023 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.974 -8.099 -6.760 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.500 -7.229 -8.181 1.00 0.00 N ATOM 0 H ASN A 34 -5.778 -4.932 -6.653 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.197 -6.813 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.430 -5.286 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.844 -6.542 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.720 -7.926 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.798 -6.513 -8.368 1.00 0.00 H new ATOM 495 N TRP A 35 -4.488 -3.672 -4.038 1.00 0.00 N ATOM 496 CA TRP A 35 -4.130 -2.709 -2.984 1.00 0.00 C ATOM 497 C TRP A 35 -5.006 -2.902 -1.729 1.00 0.00 C ATOM 498 O TRP A 35 -4.503 -2.914 -0.600 1.00 0.00 O ATOM 499 CB TRP A 35 -4.258 -1.272 -3.521 1.00 0.00 C ATOM 500 CG TRP A 35 -4.385 -0.226 -2.448 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.492 0.526 -2.174 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.385 0.177 -1.504 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.242 1.375 -1.126 1.00 0.00 N ATOM 504 CE2 TRP A 35 -3.954 1.179 -0.696 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.063 -0.213 -1.265 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.251 1.793 0.336 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.364 0.401 -0.243 1.00 0.00 C ATOM 508 CH2 TRP A 35 -1.959 1.393 0.546 1.00 0.00 C ATOM 0 H TRP A 35 -4.865 -3.244 -4.883 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.095 -2.887 -2.693 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.385 -1.045 -4.133 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.129 -1.215 -4.174 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.430 0.461 -2.706 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -5.905 2.042 -0.731 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.598 -0.979 -1.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.708 2.557 0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.342 0.111 -0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.386 1.853 1.338 1.00 0.00 H new ATOM 519 N ALA A 36 -6.314 -3.057 -1.935 1.00 0.00 N ATOM 520 CA ALA A 36 -7.250 -3.306 -0.835 1.00 0.00 C ATOM 521 C ALA A 36 -6.874 -4.583 -0.071 1.00 0.00 C ATOM 522 O ALA A 36 -6.836 -4.602 1.165 1.00 0.00 O ATOM 523 CB ALA A 36 -8.677 -3.398 -1.366 1.00 0.00 C ATOM 0 H ALA A 36 -6.752 -3.015 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.190 -2.469 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.362 -3.583 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.944 -2.461 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.746 -4.215 -2.084 1.00 0.00 H new ATOM 529 N LYS A 37 -6.588 -5.647 -0.815 1.00 0.00 N ATOM 530 CA LYS A 37 -6.142 -6.902 -0.224 1.00 0.00 C ATOM 531 C LYS A 37 -4.756 -6.766 0.424 1.00 0.00 C ATOM 532 O LYS A 37 -4.519 -7.307 1.492 1.00 0.00 O ATOM 533 CB LYS A 37 -6.134 -7.996 -1.291 1.00 0.00 C ATOM 534 CG LYS A 37 -7.531 -8.362 -1.785 1.00 0.00 C ATOM 535 CD LYS A 37 -7.503 -9.517 -2.777 1.00 0.00 C ATOM 536 CE LYS A 37 -8.908 -9.935 -3.189 1.00 0.00 C ATOM 537 NZ LYS A 37 -8.889 -11.069 -4.147 1.00 0.00 N ATOM 0 H LYS A 37 -6.658 -5.664 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.840 -7.174 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.531 -7.666 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.654 -8.887 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.157 -8.630 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.988 -7.492 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.936 -9.225 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.985 -10.367 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.477 -10.217 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.422 -9.086 -3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.864 -11.324 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.368 -10.792 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.422 -11.887 -3.707 1.00 0.00 H new ATOM 551 N LEU A 38 -3.854 -6.020 -0.213 1.00 0.00 N ATOM 552 CA LEU A 38 -2.509 -5.781 0.338 1.00 0.00 C ATOM 553 C LEU A 38 -2.598 -5.316 1.802 1.00 0.00 C ATOM 554 O LEU A 38 -1.873 -5.804 2.674 1.00 0.00 O ATOM 555 CB LEU A 38 -1.764 -4.742 -0.532 1.00 0.00 C ATOM 556 CG LEU A 38 -0.284 -4.469 -0.173 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.462 -3.900 -1.377 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.164 -3.507 1.011 1.00 0.00 C ATOM 0 H LEU A 38 -4.025 -5.568 -1.111 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.947 -6.714 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.807 -5.073 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.307 -3.799 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 38 0.165 -5.420 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.501 -3.714 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.423 -4.614 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.005 -2.965 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.889 -3.337 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.639 -2.559 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.657 -3.939 1.882 1.00 0.00 H new ATOM 570 N CYS A 39 -3.507 -4.384 2.061 1.00 0.00 N ATOM 571 CA CYS A 39 -3.734 -3.876 3.419 1.00 0.00 C ATOM 572 C CYS A 39 -4.407 -4.931 4.317 1.00 0.00 C ATOM 573 O CYS A 39 -4.076 -5.059 5.500 1.00 0.00 O ATOM 574 CB CYS A 39 -4.601 -2.612 3.364 1.00 0.00 C ATOM 575 SG CYS A 39 -3.905 -1.286 2.352 1.00 0.00 S ATOM 0 H CYS A 39 -4.103 -3.960 1.350 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.762 -3.639 3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.584 -2.875 2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.749 -2.241 4.378 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.963 -1.622 1.097 1.00 0.00 H new ATOM 581 N LYS A 40 -5.344 -5.691 3.749 1.00 0.00 N ATOM 582 CA LYS A 40 -6.109 -6.687 4.513 1.00 0.00 C ATOM 583 C LYS A 40 -5.239 -7.896 4.911 1.00 0.00 C ATOM 584 O LYS A 40 -5.250 -8.321 6.065 1.00 0.00 O ATOM 585 CB LYS A 40 -7.337 -7.135 3.707 1.00 0.00 C ATOM 586 CG LYS A 40 -8.357 -7.926 4.523 1.00 0.00 C ATOM 587 CD LYS A 40 -9.721 -7.972 3.836 1.00 0.00 C ATOM 588 CE LYS A 40 -10.780 -8.624 4.721 1.00 0.00 C ATOM 589 NZ LYS A 40 -12.151 -8.421 4.186 1.00 0.00 N ATOM 0 H LYS A 40 -5.594 -5.638 2.762 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.444 -6.218 5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.825 -6.255 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.005 -7.746 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.992 -8.942 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.462 -7.474 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.034 -6.959 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.638 -8.525 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.577 -9.692 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.718 -8.209 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.841 -8.879 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.355 -7.403 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.218 -8.839 3.236 1.00 0.00 H new ATOM 603 N ASP A 41 -4.495 -8.442 3.952 1.00 0.00 N ATOM 604 CA ASP A 41 -3.504 -9.488 4.227 1.00 0.00 C ATOM 605 C ASP A 41 -2.522 -9.045 5.329 1.00 0.00 C ATOM 606 O ASP A 41 -2.270 -9.779 6.292 1.00 0.00 O ATOM 607 CB ASP A 41 -2.730 -9.820 2.943 1.00 0.00 C ATOM 608 CG ASP A 41 -3.583 -10.504 1.881 1.00 0.00 C ATOM 609 OD1 ASP A 41 -4.749 -10.101 1.680 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.079 -11.445 1.231 1.00 0.00 O ATOM 0 H ASP A 41 -4.558 -8.177 2.969 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.031 -10.376 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.316 -8.900 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.887 -10.465 3.192 1.00 0.00 H new ATOM 615 N CYS A 42 -1.979 -7.834 5.181 1.00 0.00 N ATOM 616 CA CYS A 42 -1.054 -7.262 6.174 1.00 0.00 C ATOM 617 C CYS A 42 -1.801 -6.739 7.413 1.00 0.00 C ATOM 618 O CYS A 42 -1.176 -6.330 8.393 1.00 0.00 O ATOM 619 CB CYS A 42 -0.228 -6.131 5.550 1.00 0.00 C ATOM 620 SG CYS A 42 0.716 -6.629 4.091 1.00 0.00 S ATOM 0 H CYS A 42 -2.162 -7.226 4.383 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.387 -8.062 6.494 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.897 -5.315 5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.460 -5.741 6.300 1.00 0.00 H new ATOM 0 HG CYS A 42 0.011 -6.406 3.021 1.00 0.00 H new ATOM 626 N LYS A 43 -3.140 -6.761 7.352 1.00 0.00 N ATOM 627 CA LYS A 43 -4.010 -6.388 8.471 1.00 0.00 C ATOM 628 C LYS A 43 -3.794 -4.944 8.953 1.00 0.00 C ATOM 629 O LYS A 43 -4.084 -4.604 10.102 1.00 0.00 O ATOM 630 CB LYS A 43 -3.818 -7.406 9.588 1.00 0.00 C ATOM 631 CG LYS A 43 -3.889 -8.831 9.052 1.00 0.00 C ATOM 632 CD LYS A 43 -3.847 -9.862 10.151 1.00 0.00 C ATOM 633 CE LYS A 43 -3.934 -11.277 9.592 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.876 -11.546 8.578 1.00 0.00 N ATOM 0 H LYS A 43 -3.652 -7.041 6.516 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.045 -6.408 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.854 -7.243 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.584 -7.263 10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.807 -8.954 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.058 -9.000 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.924 -9.751 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.672 -9.692 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.844 -11.994 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.915 -11.428 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.864 -12.561 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.075 -10.999 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.950 -11.266 8.960 1.00 0.00 H new ATOM 648 N VAL A 44 -3.325 -4.091 8.049 1.00 0.00 N ATOM 649 CA VAL A 44 -3.199 -2.660 8.329 1.00 0.00 C ATOM 650 C VAL A 44 -4.583 -1.989 8.318 1.00 0.00 C ATOM 651 O VAL A 44 -4.847 -1.046 9.071 1.00 0.00 O ATOM 652 CB VAL A 44 -2.287 -1.959 7.289 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.076 -0.488 7.646 1.00 0.00 C ATOM 654 CG2 VAL A 44 -0.949 -2.687 7.164 1.00 0.00 C ATOM 0 H VAL A 44 -3.024 -4.364 7.113 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.747 -2.558 9.316 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.787 -1.999 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.433 -0.021 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.038 0.023 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.606 -0.415 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.325 -2.178 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.444 -2.689 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.122 -3.714 6.844 1.00 0.00 H new ATOM 664 N ALA A 45 -5.470 -2.509 7.472 1.00 0.00 N ATOM 665 CA ALA A 45 -6.807 -1.937 7.291 1.00 0.00 C ATOM 666 C ALA A 45 -7.835 -2.503 8.289 1.00 0.00 C ATOM 667 O ALA A 45 -8.463 -3.531 8.030 1.00 0.00 O ATOM 668 CB ALA A 45 -7.281 -2.171 5.859 1.00 0.00 C ATOM 0 H ALA A 45 -5.287 -3.331 6.897 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.730 -0.867 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.275 -1.744 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.589 -1.695 5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.318 -3.242 5.658 1.00 0.00 H new ATOM 674 N ASP A 46 -7.990 -1.823 9.429 1.00 0.00 N ATOM 675 CA ASP A 46 -9.005 -2.189 10.434 1.00 0.00 C ATOM 676 C ASP A 46 -9.062 -1.162 11.589 1.00 0.00 C ATOM 677 O ASP A 46 -9.648 -1.422 12.639 1.00 0.00 O ATOM 678 CB ASP A 46 -8.733 -3.600 10.992 1.00 0.00 C ATOM 679 CG ASP A 46 -9.865 -4.110 11.876 1.00 0.00 C ATOM 680 OD1 ASP A 46 -11.042 -3.831 11.561 1.00 0.00 O ATOM 681 OD2 ASP A 46 -9.591 -4.790 12.884 1.00 0.00 O ATOM 0 H ASP A 46 -7.426 -1.013 9.684 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.974 -2.185 9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.585 -4.292 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.807 -3.587 11.566 1.00 0.00 H new ATOM 686 N GLY A 47 -8.509 0.031 11.371 1.00 0.00 N ATOM 687 CA GLY A 47 -8.424 1.021 12.443 1.00 0.00 C ATOM 688 C GLY A 47 -9.669 1.894 12.563 1.00 0.00 C ATOM 689 O GLY A 47 -9.617 2.975 13.149 1.00 0.00 O ATOM 0 H GLY A 47 -8.119 0.332 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.257 0.507 13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.557 1.659 12.270 1.00 0.00 H new ATOM 693 N LYS A 48 -10.790 1.433 11.994 1.00 0.00 N ATOM 694 CA LYS A 48 -12.062 2.181 12.033 1.00 0.00 C ATOM 695 C LYS A 48 -11.911 3.585 11.416 1.00 0.00 C ATOM 696 O LYS A 48 -12.718 4.484 11.648 1.00 0.00 O ATOM 697 CB LYS A 48 -12.595 2.251 13.478 1.00 0.00 C ATOM 698 CG LYS A 48 -13.230 0.943 13.969 1.00 0.00 C ATOM 699 CD LYS A 48 -12.263 -0.244 13.892 1.00 0.00 C ATOM 700 CE LYS A 48 -12.943 -1.567 14.233 1.00 0.00 C ATOM 701 NZ LYS A 48 -12.017 -2.724 14.093 1.00 0.00 N ATOM 0 H LYS A 48 -10.846 0.543 11.499 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.792 1.646 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.775 2.519 14.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.334 3.050 13.544 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.564 1.069 14.999 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.115 0.726 13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.842 -0.302 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.432 -0.078 14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.321 -1.527 15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.804 -1.711 13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.455 -3.571 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.822 -2.893 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.126 -2.517 14.588 1.00 0.00 H new ATOM 715 N SER A 49 -10.869 3.740 10.611 1.00 0.00 N ATOM 716 CA SER A 49 -10.614 4.976 9.849 1.00 0.00 C ATOM 717 C SER A 49 -9.947 4.626 8.516 1.00 0.00 C ATOM 718 O SER A 49 -10.091 5.331 7.524 1.00 0.00 O ATOM 719 CB SER A 49 -9.731 5.952 10.645 1.00 0.00 C ATOM 720 OG SER A 49 -10.356 6.354 11.859 1.00 0.00 O ATOM 0 H SER A 49 -10.168 3.015 10.461 1.00 0.00 H new ATOM 0 HA SER A 49 -11.568 5.469 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.774 5.479 10.867 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.519 6.831 10.036 1.00 0.00 H new ATOM 0 HG SER A 49 -9.768 6.972 12.341 1.00 0.00 H new ATOM 726 N VAL A 50 -9.171 3.542 8.530 1.00 0.00 N ATOM 727 CA VAL A 50 -8.692 2.898 7.306 1.00 0.00 C ATOM 728 C VAL A 50 -9.074 1.407 7.313 1.00 0.00 C ATOM 729 O VAL A 50 -8.405 0.592 7.951 1.00 0.00 O ATOM 730 CB VAL A 50 -7.153 3.030 7.141 1.00 0.00 C ATOM 731 CG1 VAL A 50 -6.674 2.308 5.879 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.733 4.499 7.115 1.00 0.00 C ATOM 0 H VAL A 50 -8.857 3.087 9.387 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.167 3.405 6.466 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.681 2.556 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.593 2.415 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.929 1.250 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.158 2.743 5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.651 4.566 6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.220 5.002 6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.028 4.978 8.048 1.00 0.00 H new ATOM 742 N THR A 51 -10.185 1.067 6.655 1.00 0.00 N ATOM 743 CA THR A 51 -10.616 -0.334 6.517 1.00 0.00 C ATOM 744 C THR A 51 -11.531 -0.534 5.297 1.00 0.00 C ATOM 745 O THR A 51 -12.543 0.151 5.149 1.00 0.00 O ATOM 746 CB THR A 51 -11.349 -0.845 7.785 1.00 0.00 C ATOM 747 OG1 THR A 51 -11.836 -2.178 7.569 1.00 0.00 O ATOM 748 CG2 THR A 51 -12.508 0.068 8.181 1.00 0.00 C ATOM 0 H THR A 51 -10.806 1.741 6.207 1.00 0.00 H new ATOM 0 HA THR A 51 -9.703 -0.914 6.378 1.00 0.00 H new ATOM 0 HB THR A 51 -10.628 -0.843 8.602 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.296 -2.493 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.994 -0.327 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.129 1.069 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.230 0.114 7.366 1.00 0.00 H new ATOM 756 N GLY A 52 -11.153 -1.468 4.416 1.00 0.00 N ATOM 757 CA GLY A 52 -11.953 -1.776 3.228 1.00 0.00 C ATOM 758 C GLY A 52 -12.344 -0.543 2.411 1.00 0.00 C ATOM 759 O GLY A 52 -11.604 -0.115 1.518 1.00 0.00 O ATOM 0 H GLY A 52 -10.301 -2.021 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.392 -2.460 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.859 -2.298 3.537 1.00 0.00 H new ATOM 763 N THR A 53 -13.502 0.036 2.733 1.00 0.00 N ATOM 764 CA THR A 53 -13.997 1.240 2.049 1.00 0.00 C ATOM 765 C THR A 53 -12.936 2.344 2.034 1.00 0.00 C ATOM 766 O THR A 53 -12.560 2.843 0.972 1.00 0.00 O ATOM 767 CB THR A 53 -15.273 1.797 2.730 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.289 0.785 2.799 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.818 3.012 1.984 1.00 0.00 C ATOM 0 H THR A 53 -14.120 -0.309 3.467 1.00 0.00 H new ATOM 0 HA THR A 53 -14.232 0.941 1.028 1.00 0.00 H new ATOM 0 HB THR A 53 -14.996 2.104 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.087 1.152 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.713 3.377 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.063 3.798 1.969 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.068 2.729 0.961 1.00 0.00 H new ATOM 777 N ASP A 54 -12.442 2.698 3.221 1.00 0.00 N ATOM 778 CA ASP A 54 -11.452 3.771 3.371 1.00 0.00 C ATOM 779 C ASP A 54 -10.190 3.495 2.539 1.00 0.00 C ATOM 780 O ASP A 54 -9.565 4.413 2.014 1.00 0.00 O ATOM 781 CB ASP A 54 -11.073 3.933 4.843 1.00 0.00 C ATOM 782 CG ASP A 54 -12.283 3.911 5.758 1.00 0.00 C ATOM 783 OD1 ASP A 54 -13.120 4.833 5.676 1.00 0.00 O ATOM 784 OD2 ASP A 54 -12.413 2.945 6.545 1.00 0.00 O ATOM 0 H ASP A 54 -12.712 2.255 4.099 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.904 4.693 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.390 3.133 5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.537 4.873 4.976 1.00 0.00 H new ATOM 789 N VAL A 55 -9.829 2.219 2.416 1.00 0.00 N ATOM 790 CA VAL A 55 -8.659 1.813 1.629 1.00 0.00 C ATOM 791 C VAL A 55 -8.850 2.152 0.141 1.00 0.00 C ATOM 792 O VAL A 55 -7.914 2.587 -0.536 1.00 0.00 O ATOM 793 CB VAL A 55 -8.381 0.297 1.785 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.108 -0.110 1.047 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.296 -0.081 3.261 1.00 0.00 C ATOM 0 H VAL A 55 -10.330 1.444 2.851 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.802 2.369 2.010 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.212 -0.247 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.939 -1.179 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.214 0.116 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.260 0.442 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.100 -1.149 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.488 0.478 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.239 0.158 3.753 1.00 0.00 H new ATOM 805 N ASP A 56 -10.078 1.975 -0.348 1.00 0.00 N ATOM 806 CA ASP A 56 -10.423 2.316 -1.730 1.00 0.00 C ATOM 807 C ASP A 56 -10.472 3.841 -1.898 1.00 0.00 C ATOM 808 O ASP A 56 -10.162 4.375 -2.963 1.00 0.00 O ATOM 809 CB ASP A 56 -11.771 1.675 -2.104 1.00 0.00 C ATOM 810 CG ASP A 56 -12.243 2.043 -3.503 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.762 1.435 -4.483 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.105 2.940 -3.628 1.00 0.00 O ATOM 0 H ASP A 56 -10.854 1.596 0.195 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.659 1.925 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.683 0.591 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.526 1.983 -1.380 1.00 0.00 H new ATOM 817 N ILE A 57 -10.849 4.537 -0.825 1.00 0.00 N ATOM 818 CA ILE A 57 -10.870 6.003 -0.820 1.00 0.00 C ATOM 819 C ILE A 57 -9.444 6.572 -0.895 1.00 0.00 C ATOM 820 O ILE A 57 -9.162 7.460 -1.697 1.00 0.00 O ATOM 821 CB ILE A 57 -11.576 6.561 0.443 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.930 5.851 0.652 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.760 8.079 0.338 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.802 6.472 1.726 1.00 0.00 C ATOM 0 H ILE A 57 -11.144 4.110 0.053 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.432 6.315 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.947 6.363 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.478 5.854 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.744 4.808 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.257 8.448 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.786 8.558 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.368 8.312 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.734 5.912 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.278 6.445 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.023 7.506 1.463 1.00 0.00 H new ATOM 836 N VAL A 58 -8.550 6.051 -0.050 1.00 0.00 N ATOM 837 CA VAL A 58 -7.130 6.423 -0.091 1.00 0.00 C ATOM 838 C VAL A 58 -6.552 6.219 -1.499 1.00 0.00 C ATOM 839 O VAL A 58 -5.946 7.126 -2.075 1.00 0.00 O ATOM 840 CB VAL A 58 -6.298 5.599 0.927 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.807 5.893 0.772 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.758 5.879 2.359 1.00 0.00 C ATOM 0 H VAL A 58 -8.783 5.369 0.672 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.067 7.478 0.177 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.460 4.541 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.243 5.304 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.487 5.631 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.625 6.954 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.160 5.290 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.633 6.939 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.809 5.608 2.463 1.00 0.00 H new ATOM 852 N PHE A 59 -6.764 5.023 -2.049 1.00 0.00 N ATOM 853 CA PHE A 59 -6.356 4.717 -3.424 1.00 0.00 C ATOM 854 C PHE A 59 -6.914 5.760 -4.402 1.00 0.00 C ATOM 855 O PHE A 59 -6.179 6.347 -5.195 1.00 0.00 O ATOM 856 CB PHE A 59 -6.844 3.312 -3.815 1.00 0.00 C ATOM 857 CG PHE A 59 -6.493 2.912 -5.231 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.280 2.298 -5.516 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.377 3.151 -6.277 1.00 0.00 C ATOM 860 CE1 PHE A 59 -4.960 1.934 -6.811 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.058 2.787 -7.571 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.849 2.178 -7.838 1.00 0.00 C ATOM 0 H PHE A 59 -7.216 4.248 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.268 4.746 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.415 2.585 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.926 3.267 -3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.579 2.103 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.325 3.627 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.013 1.458 -7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.755 2.979 -8.373 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.599 1.893 -8.849 1.00 0.00 H new ATOM 872 N SER A 60 -8.218 5.999 -4.315 1.00 0.00 N ATOM 873 CA SER A 60 -8.895 6.948 -5.204 1.00 0.00 C ATOM 874 C SER A 60 -8.466 8.398 -4.933 1.00 0.00 C ATOM 875 O SER A 60 -8.590 9.261 -5.801 1.00 0.00 O ATOM 876 CB SER A 60 -10.419 6.814 -5.063 1.00 0.00 C ATOM 877 OG SER A 60 -10.855 5.507 -5.417 1.00 0.00 O ATOM 0 H SER A 60 -8.833 5.549 -3.637 1.00 0.00 H new ATOM 0 HA SER A 60 -8.602 6.704 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.713 7.033 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.912 7.549 -5.699 1.00 0.00 H new ATOM 0 HG SER A 60 -10.701 4.896 -4.666 1.00 0.00 H new ATOM 883 N LYS A 61 -7.949 8.657 -3.737 1.00 0.00 N ATOM 884 CA LYS A 61 -7.538 10.009 -3.340 1.00 0.00 C ATOM 885 C LYS A 61 -6.123 10.340 -3.853 1.00 0.00 C ATOM 886 O LYS A 61 -5.858 11.461 -4.292 1.00 0.00 O ATOM 887 CB LYS A 61 -7.600 10.143 -1.808 1.00 0.00 C ATOM 888 CG LYS A 61 -7.640 11.583 -1.307 1.00 0.00 C ATOM 889 CD LYS A 61 -7.738 11.640 0.216 1.00 0.00 C ATOM 890 CE LYS A 61 -7.997 13.057 0.719 1.00 0.00 C ATOM 891 NZ LYS A 61 -9.302 13.587 0.239 1.00 0.00 N ATOM 0 H LYS A 61 -7.802 7.948 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.227 10.723 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.484 9.619 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.733 9.644 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.744 12.109 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.493 12.100 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.540 10.983 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.813 11.263 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.981 13.064 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.194 13.713 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.584 14.398 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.210 13.891 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.025 12.843 0.307 1.00 0.00 H new ATOM 905 N VAL A 62 -5.216 9.358 -3.793 1.00 0.00 N ATOM 906 CA VAL A 62 -3.843 9.534 -4.300 1.00 0.00 C ATOM 907 C VAL A 62 -3.776 9.323 -5.825 1.00 0.00 C ATOM 908 O VAL A 62 -2.884 9.849 -6.497 1.00 0.00 O ATOM 909 CB VAL A 62 -2.847 8.567 -3.600 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.853 8.785 -2.086 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.160 7.107 -3.941 1.00 0.00 C ATOM 0 H VAL A 62 -5.403 8.435 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.554 10.560 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.847 8.789 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.149 8.098 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.560 9.811 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.854 8.601 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.447 6.455 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.170 6.865 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.086 6.961 -5.019 1.00 0.00 H new ATOM 921 N LYS A 63 -4.732 8.553 -6.351 1.00 0.00 N ATOM 922 CA LYS A 63 -4.835 8.276 -7.792 1.00 0.00 C ATOM 923 C LYS A 63 -4.869 9.568 -8.625 1.00 0.00 C ATOM 924 O LYS A 63 -5.686 10.461 -8.375 1.00 0.00 O ATOM 925 CB LYS A 63 -6.096 7.432 -8.057 1.00 0.00 C ATOM 926 CG LYS A 63 -6.418 7.200 -9.533 1.00 0.00 C ATOM 927 CD LYS A 63 -7.465 6.098 -9.719 1.00 0.00 C ATOM 928 CE LYS A 63 -8.771 6.395 -8.982 1.00 0.00 C ATOM 929 NZ LYS A 63 -9.584 7.440 -9.657 1.00 0.00 N ATOM 0 H LYS A 63 -5.458 8.103 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.947 7.722 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.976 6.464 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.949 7.922 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.783 8.127 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.507 6.929 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.672 5.975 -10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.058 5.152 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.356 5.479 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.545 6.716 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.823 8.188 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.040 7.849 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.459 7.015 -10.025 1.00 0.00 H new ATOM 943 N GLY A 64 -3.972 9.655 -9.611 1.00 0.00 N ATOM 944 CA GLY A 64 -3.905 10.820 -10.494 1.00 0.00 C ATOM 945 C GLY A 64 -5.271 11.270 -11.004 1.00 0.00 C ATOM 946 O GLY A 64 -5.707 12.390 -10.720 1.00 0.00 O ATOM 0 H GLY A 64 -3.283 8.932 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.434 11.645 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.266 10.586 -11.345 1.00 0.00 H new ATOM 950 N LYS A 65 -5.954 10.405 -11.754 1.00 0.00 N ATOM 951 CA LYS A 65 -7.327 10.690 -12.184 1.00 0.00 C ATOM 952 C LYS A 65 -8.136 9.400 -12.403 1.00 0.00 C ATOM 953 O LYS A 65 -8.808 8.923 -11.493 1.00 0.00 O ATOM 954 CB LYS A 65 -7.348 11.555 -13.457 1.00 0.00 C ATOM 955 CG LYS A 65 -8.721 12.146 -13.763 1.00 0.00 C ATOM 956 CD LYS A 65 -9.162 13.114 -12.668 1.00 0.00 C ATOM 957 CE LYS A 65 -10.560 13.663 -12.912 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.920 14.713 -11.922 1.00 0.00 N ATOM 0 H LYS A 65 -5.586 9.510 -12.075 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.800 11.251 -11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.627 12.365 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.023 10.951 -14.304 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.691 12.666 -14.721 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.452 11.343 -13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.137 12.605 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.454 13.941 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.618 14.077 -13.919 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.284 12.850 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.879 15.063 -12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.889 14.311 -10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.244 15.500 -11.989 1.00 0.00 H new ATOM 972 N SER A 66 -8.045 8.823 -13.601 1.00 0.00 N ATOM 973 CA SER A 66 -8.889 7.673 -13.972 1.00 0.00 C ATOM 974 C SER A 66 -8.094 6.367 -14.089 1.00 0.00 C ATOM 975 O SER A 66 -8.679 5.295 -14.269 1.00 0.00 O ATOM 976 CB SER A 66 -9.610 7.955 -15.295 1.00 0.00 C ATOM 977 OG SER A 66 -8.690 8.144 -16.359 1.00 0.00 O ATOM 0 H SER A 66 -7.401 9.126 -14.332 1.00 0.00 H new ATOM 0 HA SER A 66 -9.614 7.542 -13.169 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.276 7.125 -15.532 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.233 8.843 -15.189 1.00 0.00 H new ATOM 0 HG SER A 66 -9.181 8.320 -17.189 1.00 0.00 H new ATOM 983 N ALA A 67 -6.768 6.447 -13.993 1.00 0.00 N ATOM 984 CA ALA A 67 -5.918 5.252 -14.055 1.00 0.00 C ATOM 985 C ALA A 67 -6.202 4.305 -12.875 1.00 0.00 C ATOM 986 O ALA A 67 -5.821 4.584 -11.740 1.00 0.00 O ATOM 987 CB ALA A 67 -4.446 5.650 -14.076 1.00 0.00 C ATOM 0 H ALA A 67 -6.257 7.322 -13.872 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.152 4.719 -14.977 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.827 4.754 -14.122 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.250 6.272 -14.949 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.207 6.209 -13.171 1.00 0.00 H new ATOM 993 N ARG A 68 -6.864 3.180 -13.151 1.00 0.00 N ATOM 994 CA ARG A 68 -7.264 2.231 -12.097 1.00 0.00 C ATOM 995 C ARG A 68 -6.064 1.450 -11.528 1.00 0.00 C ATOM 996 O ARG A 68 -6.226 0.582 -10.665 1.00 0.00 O ATOM 997 CB ARG A 68 -8.335 1.271 -12.635 1.00 0.00 C ATOM 998 CG ARG A 68 -9.640 1.972 -13.010 1.00 0.00 C ATOM 999 CD ARG A 68 -10.650 1.018 -13.645 1.00 0.00 C ATOM 1000 NE ARG A 68 -10.174 0.469 -14.916 1.00 0.00 N ATOM 1001 CZ ARG A 68 -10.209 1.110 -16.053 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -10.677 2.315 -16.121 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -9.784 0.537 -17.130 1.00 0.00 N ATOM 0 H ARG A 68 -7.137 2.899 -14.093 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.682 2.809 -11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.943 0.754 -13.511 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.542 0.510 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.078 2.420 -12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.426 2.785 -13.703 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.858 0.201 -12.954 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.590 1.544 -13.809 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.790 -0.476 -14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.024 2.775 -15.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.698 2.804 -17.016 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.421 -0.416 -17.092 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.811 1.037 -18.019 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.865 1.764 -12.015 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.625 1.197 -11.482 1.00 0.00 C ATOM 1019 C VAL A 69 -2.643 2.313 -11.083 1.00 0.00 C ATOM 1020 O VAL A 69 -2.429 3.267 -11.835 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.943 0.244 -12.502 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.817 -0.979 -12.776 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.621 0.978 -13.804 1.00 0.00 C ATOM 0 H VAL A 69 -4.724 2.416 -12.787 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.892 0.618 -10.598 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.006 -0.099 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.317 -1.630 -13.493 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.983 -1.523 -11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.775 -0.657 -13.184 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.144 0.289 -14.502 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.542 1.360 -14.244 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.947 1.809 -13.596 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.064 2.200 -9.894 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.094 3.189 -9.405 1.00 0.00 C ATOM 1035 C ILE A 70 0.353 2.701 -9.569 1.00 0.00 C ATOM 1036 O ILE A 70 0.632 1.499 -9.504 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.334 3.545 -7.913 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.316 2.277 -7.038 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.649 4.310 -7.746 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.471 2.548 -5.553 1.00 0.00 C ATOM 0 H ILE A 70 -2.246 1.434 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.243 4.080 -10.015 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.522 4.192 -7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.118 1.614 -7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.378 1.747 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.799 4.550 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.610 5.232 -8.327 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.476 3.694 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.448 1.605 -5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.655 3.185 -5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.422 3.049 -5.372 1.00 0.00 H new ATOM 1052 N ASN A 71 1.268 3.644 -9.800 1.00 0.00 N ATOM 1053 CA ASN A 71 2.699 3.332 -9.860 1.00 0.00 C ATOM 1054 C ASN A 71 3.349 3.432 -8.466 1.00 0.00 C ATOM 1055 O ASN A 71 2.749 3.958 -7.528 1.00 0.00 O ATOM 1056 CB ASN A 71 3.418 4.242 -10.872 1.00 0.00 C ATOM 1057 CG ASN A 71 3.030 5.706 -10.750 1.00 0.00 C ATOM 1058 OD1 ASN A 71 2.098 6.166 -11.398 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.752 6.456 -9.946 1.00 0.00 N ATOM 0 H ASN A 71 1.045 4.628 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 71 2.803 2.302 -10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.495 4.147 -10.734 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.194 3.898 -11.882 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.542 7.449 -9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.522 6.044 -9.419 1.00 0.00 H new ATOM 1066 N TYR A 72 4.580 2.934 -8.347 1.00 0.00 N ATOM 1067 CA TYR A 72 5.272 2.834 -7.053 1.00 0.00 C ATOM 1068 C TYR A 72 5.276 4.176 -6.300 1.00 0.00 C ATOM 1069 O TYR A 72 5.134 4.216 -5.079 1.00 0.00 O ATOM 1070 CB TYR A 72 6.710 2.339 -7.270 1.00 0.00 C ATOM 1071 CG TYR A 72 7.367 1.779 -6.020 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.195 0.444 -5.667 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.154 2.577 -5.194 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.786 -0.079 -4.535 1.00 0.00 C ATOM 1075 CE2 TYR A 72 8.749 2.059 -4.059 1.00 0.00 C ATOM 1076 CZ TYR A 72 8.562 0.731 -3.733 1.00 0.00 C ATOM 1077 OH TYR A 72 9.154 0.211 -2.605 1.00 0.00 O ATOM 0 H TYR A 72 5.126 2.590 -9.137 1.00 0.00 H new ATOM 0 HA TYR A 72 4.729 2.118 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.706 1.569 -8.041 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.314 3.164 -7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.587 -0.195 -6.291 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.302 3.617 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.641 -1.118 -4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.358 2.691 -3.430 1.00 0.00 H new ATOM 0 HH TYR A 72 9.667 0.912 -2.152 1.00 0.00 H new ATOM 1087 N GLU A 73 5.424 5.267 -7.043 1.00 0.00 N ATOM 1088 CA GLU A 73 5.417 6.620 -6.470 1.00 0.00 C ATOM 1089 C GLU A 73 4.082 6.921 -5.763 1.00 0.00 C ATOM 1090 O GLU A 73 4.064 7.397 -4.625 1.00 0.00 O ATOM 1091 CB GLU A 73 5.679 7.667 -7.567 1.00 0.00 C ATOM 1092 CG GLU A 73 7.069 7.588 -8.205 1.00 0.00 C ATOM 1093 CD GLU A 73 7.339 6.275 -8.931 1.00 0.00 C ATOM 1094 OE1 GLU A 73 6.436 5.788 -9.646 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.452 5.727 -8.797 1.00 0.00 O ATOM 0 H GLU A 73 5.552 5.246 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 73 6.214 6.672 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.928 7.551 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.545 8.661 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.183 8.412 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.823 7.725 -7.430 1.00 0.00 H new ATOM 1102 N GLU A 74 2.967 6.628 -6.440 1.00 0.00 N ATOM 1103 CA GLU A 74 1.635 6.806 -5.848 1.00 0.00 C ATOM 1104 C GLU A 74 1.445 5.845 -4.665 1.00 0.00 C ATOM 1105 O GLU A 74 0.836 6.192 -3.654 1.00 0.00 O ATOM 1106 CB GLU A 74 0.535 6.571 -6.900 1.00 0.00 C ATOM 1107 CG GLU A 74 0.602 7.519 -8.097 1.00 0.00 C ATOM 1108 CD GLU A 74 -0.471 7.228 -9.142 1.00 0.00 C ATOM 1109 OE1 GLU A 74 -0.313 6.256 -9.907 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -1.469 7.981 -9.215 1.00 0.00 O ATOM 0 H GLU A 74 2.959 6.268 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 74 1.556 7.832 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.605 5.544 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.439 6.676 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.494 8.546 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.585 7.442 -8.561 1.00 0.00 H new ATOM 1117 N PHE A 75 1.985 4.633 -4.807 1.00 0.00 N ATOM 1118 CA PHE A 75 1.968 3.632 -3.732 1.00 0.00 C ATOM 1119 C PHE A 75 2.688 4.151 -2.477 1.00 0.00 C ATOM 1120 O PHE A 75 2.227 3.943 -1.354 1.00 0.00 O ATOM 1121 CB PHE A 75 2.619 2.332 -4.226 1.00 0.00 C ATOM 1122 CG PHE A 75 2.719 1.252 -3.175 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.594 0.539 -2.781 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.939 0.945 -2.586 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.684 -0.454 -1.823 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.033 -0.047 -1.627 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.904 -0.746 -1.246 1.00 0.00 C ATOM 0 H PHE A 75 2.443 4.317 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 75 0.931 3.434 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.046 1.950 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.619 2.557 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.637 0.763 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.825 1.488 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.801 -1.001 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.988 -0.275 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.976 -1.521 -0.497 1.00 0.00 H new ATOM 1137 N LYS A 76 3.818 4.831 -2.675 1.00 0.00 N ATOM 1138 CA LYS A 76 4.559 5.443 -1.568 1.00 0.00 C ATOM 1139 C LYS A 76 3.662 6.395 -0.767 1.00 0.00 C ATOM 1140 O LYS A 76 3.619 6.333 0.460 1.00 0.00 O ATOM 1141 CB LYS A 76 5.789 6.201 -2.090 1.00 0.00 C ATOM 1142 CG LYS A 76 6.847 5.310 -2.736 1.00 0.00 C ATOM 1143 CD LYS A 76 7.949 6.135 -3.402 1.00 0.00 C ATOM 1144 CE LYS A 76 8.604 7.107 -2.425 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.286 6.405 -1.308 1.00 0.00 N ATOM 0 H LYS A 76 4.242 4.973 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 76 4.892 4.641 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.462 6.943 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.245 6.745 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.286 4.659 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.376 4.665 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.706 5.466 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.529 6.691 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.326 7.725 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.847 7.779 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.773 7.100 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.583 5.890 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.980 5.733 -1.693 1.00 0.00 H new ATOM 1159 N LYS A 77 2.934 7.270 -1.467 1.00 0.00 N ATOM 1160 CA LYS A 77 2.009 8.186 -0.794 1.00 0.00 C ATOM 1161 C LYS A 77 0.812 7.433 -0.195 1.00 0.00 C ATOM 1162 O LYS A 77 0.284 7.825 0.844 1.00 0.00 O ATOM 1163 CB LYS A 77 1.521 9.302 -1.728 1.00 0.00 C ATOM 1164 CG LYS A 77 0.529 10.240 -1.042 1.00 0.00 C ATOM 1165 CD LYS A 77 0.257 11.510 -1.841 1.00 0.00 C ATOM 1166 CE LYS A 77 -0.767 12.394 -1.133 1.00 0.00 C ATOM 1167 NZ LYS A 77 -0.409 12.624 0.297 1.00 0.00 N ATOM 0 H LYS A 77 2.965 7.363 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 77 2.568 8.651 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.377 9.877 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.051 8.859 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.410 9.711 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.915 10.512 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.186 12.063 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.108 11.248 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.838 13.352 -1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.751 11.928 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.751 13.560 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.850 11.891 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.624 12.582 0.407 1.00 0.00 H new ATOM 1181 N ALA A 78 0.383 6.355 -0.847 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.657 5.488 -0.285 1.00 0.00 C ATOM 1183 C ALA A 78 -0.231 4.967 1.101 1.00 0.00 C ATOM 1184 O ALA A 78 -1.033 4.913 2.035 1.00 0.00 O ATOM 1185 CB ALA A 78 -0.957 4.331 -1.233 1.00 0.00 C ATOM 0 H ALA A 78 0.734 6.060 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.569 6.072 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.731 3.697 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.302 4.724 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.052 3.744 -1.388 1.00 0.00 H new ATOM 1191 N LEU A 79 1.048 4.603 1.228 1.00 0.00 N ATOM 1192 CA LEU A 79 1.621 4.223 2.525 1.00 0.00 C ATOM 1193 C LEU A 79 1.693 5.436 3.469 1.00 0.00 C ATOM 1194 O LEU A 79 1.367 5.325 4.649 1.00 0.00 O ATOM 1195 CB LEU A 79 3.021 3.617 2.344 1.00 0.00 C ATOM 1196 CG LEU A 79 3.082 2.333 1.503 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.519 1.828 1.400 1.00 0.00 C ATOM 1198 CD2 LEU A 79 2.169 1.253 2.086 1.00 0.00 C ATOM 0 H LEU A 79 1.707 4.563 0.450 1.00 0.00 H new ATOM 0 HA LEU A 79 0.968 3.473 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.664 4.365 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.436 3.405 3.329 1.00 0.00 H new ATOM 0 HG LEU A 79 2.727 2.567 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.543 0.918 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.139 2.590 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.902 1.615 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.230 0.354 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.484 1.020 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.141 1.614 2.099 1.00 0.00 H new ATOM 1210 N GLU A 80 2.124 6.587 2.934 1.00 0.00 N ATOM 1211 CA GLU A 80 2.143 7.855 3.690 1.00 0.00 C ATOM 1212 C GLU A 80 0.792 8.110 4.377 1.00 0.00 C ATOM 1213 O GLU A 80 0.736 8.443 5.562 1.00 0.00 O ATOM 1214 CB GLU A 80 2.465 9.036 2.755 1.00 0.00 C ATOM 1215 CG GLU A 80 3.885 9.042 2.188 1.00 0.00 C ATOM 1216 CD GLU A 80 4.878 9.780 3.075 1.00 0.00 C ATOM 1217 OE1 GLU A 80 4.898 11.030 3.041 1.00 0.00 O ATOM 1218 OE2 GLU A 80 5.655 9.125 3.799 1.00 0.00 O ATOM 0 H GLU A 80 2.466 6.670 1.977 1.00 0.00 H new ATOM 0 HA GLU A 80 2.918 7.771 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.758 9.026 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.303 9.966 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.221 8.014 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.874 9.505 1.201 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.296 7.949 3.620 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.646 8.112 4.165 1.00 0.00 C ATOM 1227 C GLU A 81 -1.890 7.138 5.322 1.00 0.00 C ATOM 1228 O GLU A 81 -1.980 7.549 6.475 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.719 7.901 3.082 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.556 8.783 1.847 1.00 0.00 C ATOM 1231 CD GLU A 81 -2.387 10.258 2.178 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -3.355 10.890 2.654 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -1.279 10.793 1.969 1.00 0.00 O ATOM 0 H GLU A 81 -0.269 7.706 2.630 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.721 9.134 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.703 6.856 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.700 8.088 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.690 8.444 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.427 8.660 1.204 1.00 0.00 H new ATOM 1240 N LEU A 82 -1.965 5.842 5.007 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.230 4.806 6.018 1.00 0.00 C ATOM 1242 C LEU A 82 -1.344 4.970 7.262 1.00 0.00 C ATOM 1243 O LEU A 82 -1.819 4.854 8.391 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.028 3.401 5.427 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.207 2.845 4.615 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.507 3.710 3.396 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -2.945 1.396 4.201 1.00 0.00 C ATOM 0 H LEU A 82 -1.846 5.482 4.060 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.269 4.927 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.146 3.419 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.815 2.711 6.243 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.087 2.866 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.347 3.285 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.759 4.720 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.630 3.744 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.793 1.023 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.044 1.350 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.811 0.782 5.091 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.065 5.242 7.042 1.00 0.00 N ATOM 1260 CA ALA A 83 0.883 5.479 8.138 1.00 0.00 C ATOM 1261 C ALA A 83 0.450 6.664 9.018 1.00 0.00 C ATOM 1262 O ALA A 83 0.417 6.557 10.245 1.00 0.00 O ATOM 1263 CB ALA A 83 2.285 5.719 7.585 1.00 0.00 C ATOM 0 H ALA A 83 0.348 5.306 6.112 1.00 0.00 H new ATOM 0 HA ALA A 83 0.893 4.586 8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.976 5.893 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.608 4.845 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.274 6.591 6.931 1.00 0.00 H new ATOM 1269 N THR A 84 0.098 7.785 8.386 1.00 0.00 N ATOM 1270 CA THR A 84 -0.305 9.001 9.117 1.00 0.00 C ATOM 1271 C THR A 84 -1.720 8.890 9.708 1.00 0.00 C ATOM 1272 O THR A 84 -2.162 9.777 10.439 1.00 0.00 O ATOM 1273 CB THR A 84 -0.239 10.272 8.229 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.092 10.129 7.083 1.00 0.00 O ATOM 1275 CG2 THR A 84 1.192 10.551 7.777 1.00 0.00 C ATOM 0 H THR A 84 0.082 7.882 7.371 1.00 0.00 H new ATOM 0 HA THR A 84 0.415 9.093 9.930 1.00 0.00 H new ATOM 0 HB THR A 84 -0.584 11.115 8.827 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.386 9.197 7.009 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.209 11.447 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.826 10.702 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.563 9.703 7.201 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.440 7.816 9.372 1.00 0.00 N ATOM 1284 CA LYS A 85 -3.742 7.539 10.001 1.00 0.00 C ATOM 1285 C LYS A 85 -3.574 6.518 11.143 1.00 0.00 C ATOM 1286 O LYS A 85 -4.259 6.583 12.166 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.763 7.008 8.976 1.00 0.00 C ATOM 1288 CG LYS A 85 -4.707 7.683 7.602 1.00 0.00 C ATOM 1289 CD LYS A 85 -4.734 9.213 7.669 1.00 0.00 C ATOM 1290 CE LYS A 85 -4.568 9.830 6.278 1.00 0.00 C ATOM 1291 NZ LYS A 85 -4.520 11.315 6.317 1.00 0.00 N ATOM 0 H LYS A 85 -2.151 7.129 8.676 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.121 8.478 10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.602 5.938 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.766 7.132 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.800 7.366 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.550 7.339 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.676 9.544 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.937 9.565 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.653 9.452 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.395 9.513 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.407 11.684 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.404 11.680 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.716 11.621 6.901 1.00 0.00 H new ATOM 1305 N ARG A 86 -2.655 5.568 10.948 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.323 4.564 11.968 1.00 0.00 C ATOM 1307 C ARG A 86 -1.402 5.141 13.056 1.00 0.00 C ATOM 1308 O ARG A 86 -1.815 5.346 14.200 1.00 0.00 O ATOM 1309 CB ARG A 86 -1.638 3.349 11.313 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.585 2.275 10.781 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.243 1.489 11.917 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.780 0.203 11.461 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.641 -0.924 12.115 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.030 -0.953 13.256 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -4.123 -2.019 11.624 1.00 0.00 N ATOM 0 H ARG A 86 -2.122 5.472 10.084 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.257 4.256 12.438 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.017 3.703 10.490 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.970 2.892 12.043 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.355 2.741 10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.034 1.590 10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.513 1.316 12.708 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.047 2.084 12.350 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.294 0.185 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.652 -0.093 13.654 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.927 -1.835 13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.611 -2.005 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.015 -2.897 12.132 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.153 5.409 12.683 1.00 0.00 N ATOM 1330 CA PHE A 87 0.881 5.810 13.640 1.00 0.00 C ATOM 1331 C PHE A 87 1.069 7.333 13.646 1.00 0.00 C ATOM 1332 O PHE A 87 1.923 7.873 12.942 1.00 0.00 O ATOM 1333 CB PHE A 87 2.205 5.113 13.295 1.00 0.00 C ATOM 1334 CG PHE A 87 2.045 3.646 12.973 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.928 2.707 13.986 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.996 3.213 11.653 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.771 1.365 13.690 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.836 1.873 11.354 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.724 0.948 12.374 1.00 0.00 C ATOM 0 H PHE A 87 0.172 5.356 11.717 1.00 0.00 H new ATOM 0 HA PHE A 87 0.563 5.508 14.638 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.661 5.617 12.443 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.893 5.220 14.134 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.960 3.027 15.017 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.084 3.932 10.852 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.685 0.643 14.488 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.799 1.550 10.324 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.600 -0.100 12.143 1.00 0.00 H new ATOM 1349 N LYS A 88 0.264 8.020 14.447 1.00 0.00 N ATOM 1350 CA LYS A 88 0.296 9.485 14.513 1.00 0.00 C ATOM 1351 C LYS A 88 1.212 9.965 15.649 1.00 0.00 C ATOM 1352 O LYS A 88 0.956 10.987 16.290 1.00 0.00 O ATOM 1353 CB LYS A 88 -1.130 10.017 14.712 1.00 0.00 C ATOM 1354 CG LYS A 88 -2.103 9.576 13.619 1.00 0.00 C ATOM 1355 CD LYS A 88 -3.543 10.008 13.903 1.00 0.00 C ATOM 1356 CE LYS A 88 -4.196 9.180 15.012 1.00 0.00 C ATOM 1357 NZ LYS A 88 -3.521 9.335 16.330 1.00 0.00 N ATOM 0 H LYS A 88 -0.424 7.588 15.064 1.00 0.00 H new ATOM 0 HA LYS A 88 0.699 9.871 13.577 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.504 9.679 15.678 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.102 11.106 14.745 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.784 9.994 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.066 8.491 13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.554 11.061 14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.133 9.917 12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.241 9.473 15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.185 8.128 14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.217 9.211 17.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.773 8.619 16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.101 10.284 16.396 1.00 0.00 H new ATOM 1371 N GLY A 89 2.308 9.240 15.862 1.00 0.00 N ATOM 1372 CA GLY A 89 3.237 9.566 16.940 1.00 0.00 C ATOM 1373 C GLY A 89 4.174 10.733 16.618 1.00 0.00 C ATOM 1374 O GLY A 89 5.331 10.735 17.044 1.00 0.00 O ATOM 0 H GLY A 89 2.573 8.427 15.305 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.667 9.807 17.837 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.836 8.685 17.170 1.00 0.00 H new ATOM 1378 N LYS A 90 3.661 11.731 15.887 1.00 0.00 N ATOM 1379 CA LYS A 90 4.415 12.944 15.515 1.00 0.00 C ATOM 1380 C LYS A 90 5.514 12.652 14.467 1.00 0.00 C ATOM 1381 O LYS A 90 5.488 13.202 13.365 1.00 0.00 O ATOM 1382 CB LYS A 90 5.005 13.615 16.769 1.00 0.00 C ATOM 1383 CG LYS A 90 5.454 15.057 16.553 1.00 0.00 C ATOM 1384 CD LYS A 90 5.789 15.740 17.878 1.00 0.00 C ATOM 1385 CE LYS A 90 6.063 17.229 17.701 1.00 0.00 C ATOM 1386 NZ LYS A 90 6.309 17.903 19.002 1.00 0.00 N ATOM 0 H LYS A 90 2.705 11.723 15.533 1.00 0.00 H new ATOM 0 HA LYS A 90 3.714 13.635 15.047 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.259 13.593 17.564 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.857 13.029 17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.328 15.074 15.902 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.666 15.613 16.044 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.962 15.604 18.575 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.662 15.261 18.322 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.928 17.365 17.052 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.214 17.698 17.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.491 18.914 18.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.474 17.795 19.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.134 17.472 19.466 1.00 0.00 H new ATOM 1400 N SER A 91 6.474 11.791 14.815 1.00 0.00 N ATOM 1401 CA SER A 91 7.533 11.373 13.889 1.00 0.00 C ATOM 1402 C SER A 91 6.960 10.604 12.684 1.00 0.00 C ATOM 1403 O SER A 91 6.572 9.440 12.804 1.00 0.00 O ATOM 1404 CB SER A 91 8.548 10.498 14.639 1.00 0.00 C ATOM 1405 OG SER A 91 9.148 11.205 15.721 1.00 0.00 O ATOM 0 H SER A 91 6.540 11.366 15.740 1.00 0.00 H new ATOM 0 HA SER A 91 8.026 12.266 13.505 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.051 9.605 15.018 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.322 10.163 13.948 1.00 0.00 H new ATOM 0 HG SER A 91 9.787 10.621 16.179 1.00 0.00 H new ATOM 1411 N LYS A 92 6.921 11.258 11.519 1.00 0.00 N ATOM 1412 CA LYS A 92 6.276 10.680 10.331 1.00 0.00 C ATOM 1413 C LYS A 92 7.110 9.546 9.708 1.00 0.00 C ATOM 1414 O LYS A 92 6.581 8.475 9.409 1.00 0.00 O ATOM 1415 CB LYS A 92 6.025 11.756 9.263 1.00 0.00 C ATOM 1416 CG LYS A 92 5.017 11.324 8.188 1.00 0.00 C ATOM 1417 CD LYS A 92 5.417 11.778 6.784 1.00 0.00 C ATOM 1418 CE LYS A 92 6.638 11.020 6.276 1.00 0.00 C ATOM 1419 NZ LYS A 92 6.977 11.385 4.878 1.00 0.00 N ATOM 0 H LYS A 92 7.325 12.183 11.371 1.00 0.00 H new ATOM 0 HA LYS A 92 5.327 10.266 10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.661 12.662 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.971 12.009 8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.922 10.238 8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.036 11.732 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.582 11.625 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.630 12.847 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.490 11.230 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.450 9.948 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.596 10.656 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.105 11.454 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.468 12.302 4.868 1.00 0.00 H new ATOM 1433 N GLU A 93 8.406 9.792 9.493 1.00 0.00 N ATOM 1434 CA GLU A 93 9.292 8.790 8.874 1.00 0.00 C ATOM 1435 C GLU A 93 9.226 7.442 9.610 1.00 0.00 C ATOM 1436 O GLU A 93 9.036 6.397 8.988 1.00 0.00 O ATOM 1437 CB GLU A 93 10.750 9.288 8.814 1.00 0.00 C ATOM 1438 CG GLU A 93 11.018 10.353 7.746 1.00 0.00 C ATOM 1439 CD GLU A 93 10.447 11.719 8.093 1.00 0.00 C ATOM 1440 OE1 GLU A 93 11.088 12.449 8.877 1.00 0.00 O ATOM 1441 OE2 GLU A 93 9.364 12.073 7.584 1.00 0.00 O ATOM 0 H GLU A 93 8.867 10.669 9.735 1.00 0.00 H new ATOM 0 HA GLU A 93 8.935 8.641 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.022 9.694 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.404 8.435 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.094 10.445 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.593 10.021 6.799 1.00 0.00 H new ATOM 1448 N GLU A 94 9.364 7.469 10.935 1.00 0.00 N ATOM 1449 CA GLU A 94 9.288 6.242 11.741 1.00 0.00 C ATOM 1450 C GLU A 94 7.918 5.556 11.592 1.00 0.00 C ATOM 1451 O GLU A 94 7.817 4.326 11.634 1.00 0.00 O ATOM 1452 CB GLU A 94 9.566 6.555 13.214 1.00 0.00 C ATOM 1453 CG GLU A 94 9.633 5.315 14.099 1.00 0.00 C ATOM 1454 CD GLU A 94 10.040 5.631 15.526 1.00 0.00 C ATOM 1455 OE1 GLU A 94 11.246 5.870 15.762 1.00 0.00 O ATOM 1456 OE2 GLU A 94 9.164 5.645 16.412 1.00 0.00 O ATOM 0 H GLU A 94 9.528 8.319 11.474 1.00 0.00 H new ATOM 0 HA GLU A 94 10.049 5.554 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.509 7.097 13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.786 7.218 13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.659 4.825 14.104 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.344 4.608 13.672 1.00 0.00 H new ATOM 1463 N ALA A 95 6.866 6.356 11.419 1.00 0.00 N ATOM 1464 CA ALA A 95 5.532 5.819 11.136 1.00 0.00 C ATOM 1465 C ALA A 95 5.523 5.070 9.795 1.00 0.00 C ATOM 1466 O ALA A 95 4.896 4.014 9.657 1.00 0.00 O ATOM 1467 CB ALA A 95 4.495 6.938 11.125 1.00 0.00 C ATOM 0 H ALA A 95 6.909 7.374 11.469 1.00 0.00 H new ATOM 0 HA ALA A 95 5.274 5.115 11.927 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.511 6.520 10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.479 7.429 12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.753 7.666 10.356 1.00 0.00 H new ATOM 1473 N PHE A 96 6.234 5.628 8.813 1.00 0.00 N ATOM 1474 CA PHE A 96 6.402 4.989 7.504 1.00 0.00 C ATOM 1475 C PHE A 96 7.164 3.658 7.652 1.00 0.00 C ATOM 1476 O PHE A 96 6.846 2.669 6.987 1.00 0.00 O ATOM 1477 CB PHE A 96 7.149 5.940 6.552 1.00 0.00 C ATOM 1478 CG PHE A 96 7.098 5.540 5.091 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.004 5.885 4.307 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.143 4.840 4.501 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.953 5.539 2.970 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.095 4.492 3.161 1.00 0.00 C ATOM 1483 CZ PHE A 96 6.999 4.844 2.395 1.00 0.00 C ATOM 0 H PHE A 96 6.706 6.528 8.900 1.00 0.00 H new ATOM 0 HA PHE A 96 5.420 4.773 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.729 6.940 6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.192 5.998 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.183 6.431 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.003 4.564 5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.095 5.812 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.913 3.946 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.961 4.576 1.349 1.00 0.00 H new ATOM 1493 N ASP A 97 8.170 3.638 8.533 1.00 0.00 N ATOM 1494 CA ASP A 97 8.864 2.393 8.885 1.00 0.00 C ATOM 1495 C ASP A 97 7.890 1.371 9.496 1.00 0.00 C ATOM 1496 O ASP A 97 7.847 0.220 9.076 1.00 0.00 O ATOM 1497 CB ASP A 97 10.007 2.659 9.875 1.00 0.00 C ATOM 1498 CG ASP A 97 11.199 3.343 9.236 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.923 2.675 8.468 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.442 4.531 9.533 1.00 0.00 O ATOM 0 H ASP A 97 8.521 4.466 9.014 1.00 0.00 H new ATOM 0 HA ASP A 97 9.279 1.983 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.636 3.277 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.329 1.714 10.312 1.00 0.00 H new ATOM 1505 N ALA A 98 7.107 1.804 10.483 1.00 0.00 N ATOM 1506 CA ALA A 98 6.172 0.914 11.185 1.00 0.00 C ATOM 1507 C ALA A 98 5.236 0.176 10.213 1.00 0.00 C ATOM 1508 O ALA A 98 5.099 -1.055 10.274 1.00 0.00 O ATOM 1509 CB ALA A 98 5.366 1.707 12.206 1.00 0.00 C ATOM 0 H ALA A 98 7.099 2.767 10.818 1.00 0.00 H new ATOM 0 HA ALA A 98 6.760 0.155 11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.675 1.040 12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.042 2.160 12.931 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.803 2.489 11.697 1.00 0.00 H new ATOM 1515 N ILE A 99 4.596 0.921 9.313 1.00 0.00 N ATOM 1516 CA ILE A 99 3.726 0.315 8.300 1.00 0.00 C ATOM 1517 C ILE A 99 4.544 -0.558 7.326 1.00 0.00 C ATOM 1518 O ILE A 99 4.053 -1.564 6.806 1.00 0.00 O ATOM 1519 CB ILE A 99 2.917 1.392 7.523 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.855 0.739 6.620 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.842 2.289 6.702 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.946 1.738 5.932 1.00 0.00 C ATOM 0 H ILE A 99 4.661 1.938 9.262 1.00 0.00 H new ATOM 0 HA ILE A 99 3.012 -0.324 8.821 1.00 0.00 H new ATOM 0 HB ILE A 99 2.405 2.014 8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.355 0.135 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.248 0.061 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.249 3.033 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.544 2.793 7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.394 1.682 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.223 1.206 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.418 2.326 6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.542 2.401 5.305 1.00 0.00 H new ATOM 1534 N CYS A 100 5.805 -0.177 7.105 1.00 0.00 N ATOM 1535 CA CYS A 100 6.741 -0.994 6.319 1.00 0.00 C ATOM 1536 C CYS A 100 7.002 -2.345 7.005 1.00 0.00 C ATOM 1537 O CYS A 100 7.036 -3.381 6.350 1.00 0.00 O ATOM 1538 CB CYS A 100 8.066 -0.245 6.111 1.00 0.00 C ATOM 1539 SG CYS A 100 9.360 -1.218 5.302 1.00 0.00 S ATOM 0 H CYS A 100 6.204 0.693 7.459 1.00 0.00 H new ATOM 0 HA CYS A 100 6.286 -1.183 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.874 0.648 5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.434 0.091 7.080 1.00 0.00 H new ATOM 0 HG CYS A 100 10.432 -0.493 5.174 1.00 0.00 H new ATOM 1545 N GLN A 101 7.172 -2.330 8.331 1.00 0.00 N ATOM 1546 CA GLN A 101 7.332 -3.569 9.104 1.00 0.00 C ATOM 1547 C GLN A 101 6.131 -4.509 8.900 1.00 0.00 C ATOM 1548 O GLN A 101 6.293 -5.727 8.801 1.00 0.00 O ATOM 1549 CB GLN A 101 7.509 -3.263 10.608 1.00 0.00 C ATOM 1550 CG GLN A 101 8.954 -3.007 11.041 1.00 0.00 C ATOM 1551 CD GLN A 101 9.545 -1.725 10.482 1.00 0.00 C ATOM 1552 OE1 GLN A 101 9.478 -0.671 11.107 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.140 -1.802 9.307 1.00 0.00 N ATOM 0 H GLN A 101 7.203 -1.478 8.891 1.00 0.00 H new ATOM 0 HA GLN A 101 8.230 -4.068 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.908 -2.390 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.114 -4.100 11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.996 -2.971 12.130 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.572 -3.848 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.179 -2.693 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.561 -0.970 8.893 1.00 0.00 H new ATOM 1562 N LEU A 102 4.930 -3.937 8.845 1.00 0.00 N ATOM 1563 CA LEU A 102 3.706 -4.726 8.625 1.00 0.00 C ATOM 1564 C LEU A 102 3.661 -5.376 7.226 1.00 0.00 C ATOM 1565 O LEU A 102 3.317 -6.553 7.091 1.00 0.00 O ATOM 1566 CB LEU A 102 2.463 -3.846 8.821 1.00 0.00 C ATOM 1567 CG LEU A 102 2.294 -3.251 10.230 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.075 -2.331 10.291 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.187 -4.363 11.271 1.00 0.00 C ATOM 0 H LEU A 102 4.772 -2.935 8.949 1.00 0.00 H new ATOM 0 HA LEU A 102 3.715 -5.530 9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.500 -3.028 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.578 -4.438 8.586 1.00 0.00 H new ATOM 0 HG LEU A 102 3.177 -2.653 10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.977 -1.923 11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.199 -1.515 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.178 -2.898 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.068 -3.924 12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.324 -4.990 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.092 -4.970 11.250 1.00 0.00 H new ATOM 1581 N VAL A 103 4.014 -4.607 6.194 1.00 0.00 N ATOM 1582 CA VAL A 103 3.859 -5.050 4.795 1.00 0.00 C ATOM 1583 C VAL A 103 5.158 -5.618 4.182 1.00 0.00 C ATOM 1584 O VAL A 103 5.175 -6.738 3.659 1.00 0.00 O ATOM 1585 CB VAL A 103 3.361 -3.878 3.906 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.166 -4.329 2.458 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.072 -3.279 4.470 1.00 0.00 C ATOM 0 H VAL A 103 4.410 -3.672 6.294 1.00 0.00 H new ATOM 0 HA VAL A 103 3.126 -5.856 4.820 1.00 0.00 H new ATOM 0 HB VAL A 103 4.127 -3.103 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.817 -3.488 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.114 -4.690 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.428 -5.131 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.742 -2.460 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.299 -4.047 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.255 -2.903 5.477 1.00 0.00 H new ATOM 1597 N ALA A 104 6.236 -4.836 4.239 1.00 0.00 N ATOM 1598 CA ALA A 104 7.493 -5.168 3.547 1.00 0.00 C ATOM 1599 C ALA A 104 8.061 -6.540 3.950 1.00 0.00 C ATOM 1600 O ALA A 104 8.241 -6.832 5.135 1.00 0.00 O ATOM 1601 CB ALA A 104 8.531 -4.083 3.805 1.00 0.00 C ATOM 0 H ALA A 104 6.269 -3.960 4.760 1.00 0.00 H new ATOM 0 HA ALA A 104 7.261 -5.222 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.458 -4.336 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.159 -3.128 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.720 -4.008 4.876 1.00 0.00 H new ATOM 1607 N GLY A 105 8.350 -7.368 2.946 1.00 0.00 N ATOM 1608 CA GLY A 105 8.952 -8.680 3.185 1.00 0.00 C ATOM 1609 C GLY A 105 7.950 -9.830 3.139 1.00 0.00 C ATOM 1610 O GLY A 105 8.338 -11.005 3.169 1.00 0.00 O ATOM 0 H GLY A 105 8.178 -7.155 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.728 -8.855 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.441 -8.674 4.159 1.00 0.00 H new ATOM 1614 N LYS A 106 6.662 -9.500 3.074 1.00 0.00 N ATOM 1615 CA LYS A 106 5.600 -10.513 3.043 1.00 0.00 C ATOM 1616 C LYS A 106 4.989 -10.669 1.642 1.00 0.00 C ATOM 1617 O LYS A 106 5.304 -9.920 0.716 1.00 0.00 O ATOM 1618 CB LYS A 106 4.497 -10.157 4.050 1.00 0.00 C ATOM 1619 CG LYS A 106 4.974 -10.120 5.498 1.00 0.00 C ATOM 1620 CD LYS A 106 3.830 -9.830 6.465 1.00 0.00 C ATOM 1621 CE LYS A 106 4.317 -9.747 7.905 1.00 0.00 C ATOM 1622 NZ LYS A 106 3.194 -9.560 8.858 1.00 0.00 N ATOM 0 H LYS A 106 6.324 -8.538 3.042 1.00 0.00 H new ATOM 0 HA LYS A 106 6.056 -11.465 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.080 -9.184 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.689 -10.883 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.433 -11.075 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.744 -9.357 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.349 -8.892 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.075 -10.612 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.860 -10.658 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.019 -8.919 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.567 -9.508 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.691 -8.678 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.537 -10.363 8.782 1.00 0.00 H new ATOM 1636 N GLU A 107 4.107 -11.655 1.506 1.00 0.00 N ATOM 1637 CA GLU A 107 3.419 -11.929 0.241 1.00 0.00 C ATOM 1638 C GLU A 107 1.971 -12.386 0.498 1.00 0.00 C ATOM 1639 O GLU A 107 1.649 -12.809 1.609 1.00 0.00 O ATOM 1640 CB GLU A 107 4.200 -12.987 -0.557 1.00 0.00 C ATOM 1641 CG GLU A 107 4.449 -14.291 0.192 1.00 0.00 C ATOM 1642 CD GLU A 107 5.257 -15.285 -0.631 1.00 0.00 C ATOM 1643 OE1 GLU A 107 6.505 -15.191 -0.635 1.00 0.00 O ATOM 1644 OE2 GLU A 107 4.650 -16.148 -1.298 1.00 0.00 O ATOM 0 H GLU A 107 3.847 -12.286 2.264 1.00 0.00 H new ATOM 0 HA GLU A 107 3.377 -11.012 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.653 -13.209 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.160 -12.564 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.977 -14.078 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.493 -14.740 0.464 1.00 0.00 H new ATOM 1651 N PRO A 108 1.081 -12.303 -0.527 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.351 -12.647 -0.400 1.00 0.00 C ATOM 1653 C PRO A 108 -0.654 -13.778 0.606 1.00 0.00 C ATOM 1654 O PRO A 108 -0.390 -14.955 0.347 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.704 -13.069 -1.827 1.00 0.00 C ATOM 1656 CG PRO A 108 0.144 -12.191 -2.695 1.00 0.00 C ATOM 1657 CD PRO A 108 1.396 -11.863 -1.905 1.00 0.00 C ATOM 0 HA PRO A 108 -0.933 -11.814 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.486 -14.124 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.765 -12.926 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.397 -12.698 -3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.392 -11.281 -2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.266 -12.387 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.622 -10.797 -1.941 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.215 -13.402 1.756 1.00 0.00 N ATOM 1666 CA ALA A 109 -1.509 -14.349 2.838 1.00 0.00 C ATOM 1667 C ALA A 109 -2.947 -14.882 2.755 1.00 0.00 C ATOM 1668 O ALA A 109 -3.251 -15.967 3.262 1.00 0.00 O ATOM 1669 CB ALA A 109 -1.267 -13.678 4.187 1.00 0.00 C ATOM 0 H ALA A 109 -1.478 -12.439 1.965 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.841 -15.203 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.486 -14.383 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.226 -13.363 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.916 -12.808 4.282 1.00 0.00 H new