USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 137:sc= 1.31 (180deg=-1.17) USER MOD Set 2.1: A 42 CYS SG : rot 79:sc= -7.53! USER MOD Set 2.2: A 106 LYS NZ :NH3+ 167:sc= 0.796 (180deg=1.2) USER MOD Set 3.1: A 31 ASN : amide:sc= 0.624 K(o=1.6,f=-5.3!) USER MOD Set 3.2: A 34 ASN : amide:sc= 0.975 K(o=1.6,f=-2.3!) USER MOD Single : A 13 SER OG : rot 36:sc= 0.707 USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= 0.571 (180deg=0.292) USER MOD Single : A 20 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ -114:sc= 1.21 (180deg=-0.396) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.024 K(o=0.024,f=-0.67) USER MOD Single : A 30 MET CE :methyl -178:sc= -1.49 (180deg=-1.52) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0226 (180deg=-0.237) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0443 (180deg=-0.272) USER MOD Single : A 39 CYS SG : rot 69:sc= -0.147 USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0109 (180deg=-0.158) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0189 (180deg=-0.176) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -1.6! (180deg=-4.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.156 USER MOD Single : A 51 THR OG1 : rot 124:sc= 0.599 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.857 USER MOD Single : A 60 SER OG : rot -41:sc= 0.798 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0397 (180deg=-0.306) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) 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= -0.87 K(o=-0.87,f=-5.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -60:sc= 1.22 USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 0.373 (180deg=-0.166) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0754) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= -0.384 (180deg=-0.531) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -133:sc= -0.527 (180deg=-1.37) USER MOD Single : A 100 CYS SG : rot 82:sc= -0.209 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.328 0.373 0.979 1.00 0.00 N ATOM 78 CA ILE A 7 13.527 -0.736 1.921 1.00 0.00 C ATOM 79 C ILE A 7 14.033 -2.006 1.202 1.00 0.00 C ATOM 80 O ILE A 7 14.453 -2.970 1.849 1.00 0.00 O ATOM 81 CB ILE A 7 12.202 -1.050 2.674 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.637 0.230 3.322 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.402 -2.138 3.731 1.00 0.00 C ATOM 84 CD1 ILE A 7 12.571 0.881 4.328 1.00 0.00 C ATOM 0 HA ILE A 7 14.287 -0.426 2.639 1.00 0.00 H new ATOM 0 HB ILE A 7 11.485 -1.424 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.407 0.950 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.697 -0.012 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.456 -2.332 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.750 -3.052 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.142 -1.806 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.099 1.774 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.782 0.180 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.503 1.157 3.834 1.00 0.00 H new ATOM 96 N ALA A 8 14.005 -1.985 -0.138 1.00 0.00 N ATOM 97 CA ALA A 8 14.353 -3.147 -0.977 1.00 0.00 C ATOM 98 C ALA A 8 13.255 -4.217 -0.909 1.00 0.00 C ATOM 99 O ALA A 8 12.654 -4.582 -1.924 1.00 0.00 O ATOM 100 CB ALA A 8 15.716 -3.727 -0.599 1.00 0.00 C ATOM 0 H ALA A 8 13.740 -1.160 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 8 14.425 -2.801 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.938 -4.581 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.485 -2.966 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.699 -4.048 0.442 1.00 0.00 H new ATOM 106 N GLY A 9 12.982 -4.706 0.299 1.00 0.00 N ATOM 107 CA GLY A 9 11.852 -5.602 0.507 1.00 0.00 C ATOM 108 C GLY A 9 10.512 -4.926 0.218 1.00 0.00 C ATOM 109 O GLY A 9 9.498 -5.596 0.040 1.00 0.00 O ATOM 0 H GLY A 9 13.522 -4.499 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.961 -6.476 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.861 -5.960 1.536 1.00 0.00 H new ATOM 113 N LEU A 10 10.513 -3.592 0.167 1.00 0.00 N ATOM 114 CA LEU A 10 9.297 -2.824 -0.125 1.00 0.00 C ATOM 115 C LEU A 10 8.880 -2.982 -1.594 1.00 0.00 C ATOM 116 O LEU A 10 7.744 -3.365 -1.882 1.00 0.00 O ATOM 117 CB LEU A 10 9.502 -1.340 0.208 1.00 0.00 C ATOM 118 CG LEU A 10 8.265 -0.440 0.012 1.00 0.00 C ATOM 119 CD1 LEU A 10 7.117 -0.892 0.912 1.00 0.00 C ATOM 120 CD2 LEU A 10 8.613 1.028 0.273 1.00 0.00 C ATOM 0 H LEU A 10 11.342 -3.019 0.324 1.00 0.00 H new ATOM 0 HA LEU A 10 8.497 -3.219 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.828 -1.260 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.312 -0.955 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 10 7.941 -0.533 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.255 -0.243 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.846 -1.919 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.429 -0.837 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.725 1.644 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.970 1.141 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.392 1.346 -0.420 1.00 0.00 H new ATOM 132 N GLU A 11 9.798 -2.688 -2.523 1.00 0.00 N ATOM 133 CA GLU A 11 9.514 -2.855 -3.957 1.00 0.00 C ATOM 134 C GLU A 11 9.206 -4.327 -4.286 1.00 0.00 C ATOM 135 O GLU A 11 8.274 -4.624 -5.034 1.00 0.00 O ATOM 136 CB GLU A 11 10.684 -2.352 -4.828 1.00 0.00 C ATOM 137 CG GLU A 11 11.985 -3.131 -4.647 1.00 0.00 C ATOM 138 CD GLU A 11 13.003 -2.862 -5.753 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.704 -1.833 -5.694 1.00 0.00 O ATOM 140 OE2 GLU A 11 13.109 -3.684 -6.689 1.00 0.00 O ATOM 0 H GLU A 11 10.733 -2.338 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 11 8.636 -2.251 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.388 -2.401 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.868 -1.303 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.426 -2.872 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.762 -4.198 -4.618 1.00 0.00 H new ATOM 147 N GLU A 12 9.984 -5.243 -3.700 1.00 0.00 N ATOM 148 CA GLU A 12 9.803 -6.688 -3.912 1.00 0.00 C ATOM 149 C GLU A 12 8.441 -7.160 -3.359 1.00 0.00 C ATOM 150 O GLU A 12 7.805 -8.055 -3.919 1.00 0.00 O ATOM 151 CB GLU A 12 10.966 -7.453 -3.247 1.00 0.00 C ATOM 152 CG GLU A 12 11.482 -8.656 -4.039 1.00 0.00 C ATOM 153 CD GLU A 12 10.546 -9.856 -4.014 1.00 0.00 C ATOM 154 OE1 GLU A 12 10.333 -10.418 -2.920 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.052 -10.272 -5.088 1.00 0.00 O ATOM 0 H GLU A 12 10.751 -5.009 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 12 9.809 -6.895 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.792 -6.761 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.642 -7.795 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.644 -8.355 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.451 -8.954 -3.638 1.00 0.00 H new ATOM 162 N SER A 13 7.995 -6.545 -2.263 1.00 0.00 N ATOM 163 CA SER A 13 6.674 -6.847 -1.686 1.00 0.00 C ATOM 164 C SER A 13 5.546 -6.277 -2.557 1.00 0.00 C ATOM 165 O SER A 13 4.540 -6.947 -2.804 1.00 0.00 O ATOM 166 CB SER A 13 6.556 -6.283 -0.266 1.00 0.00 C ATOM 167 OG SER A 13 5.355 -6.712 0.355 1.00 0.00 O ATOM 0 H SER A 13 8.523 -5.836 -1.754 1.00 0.00 H new ATOM 0 HA SER A 13 6.576 -7.932 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.411 -6.604 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.582 -5.194 -0.300 1.00 0.00 H new ATOM 0 HG SER A 13 5.152 -7.629 0.076 1.00 0.00 H new ATOM 173 N PHE A 14 5.711 -5.032 -3.015 1.00 0.00 N ATOM 174 CA PHE A 14 4.755 -4.414 -3.944 1.00 0.00 C ATOM 175 C PHE A 14 4.597 -5.287 -5.194 1.00 0.00 C ATOM 176 O PHE A 14 3.482 -5.612 -5.608 1.00 0.00 O ATOM 177 CB PHE A 14 5.218 -3.002 -4.340 1.00 0.00 C ATOM 178 CG PHE A 14 4.336 -2.343 -5.378 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.117 -1.786 -5.020 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.725 -2.289 -6.711 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.306 -1.189 -5.968 1.00 0.00 C ATOM 182 CE2 PHE A 14 3.917 -1.691 -7.658 1.00 0.00 C ATOM 183 CZ PHE A 14 2.707 -1.141 -7.286 1.00 0.00 C ATOM 0 H PHE A 14 6.495 -4.432 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 14 3.790 -4.332 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.246 -2.375 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.237 -3.057 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.797 -1.819 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.669 -2.719 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.359 -0.760 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.232 -1.654 -8.690 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.075 -0.674 -8.027 1.00 0.00 H new ATOM 193 N ARG A 15 5.730 -5.656 -5.784 1.00 0.00 N ATOM 194 CA ARG A 15 5.782 -6.607 -6.887 1.00 0.00 C ATOM 195 C ARG A 15 5.066 -7.925 -6.537 1.00 0.00 C ATOM 196 O ARG A 15 4.319 -8.464 -7.348 1.00 0.00 O ATOM 197 CB ARG A 15 7.258 -6.853 -7.229 1.00 0.00 C ATOM 198 CG ARG A 15 7.549 -8.170 -7.934 1.00 0.00 C ATOM 199 CD ARG A 15 9.041 -8.318 -8.197 1.00 0.00 C ATOM 200 NE ARG A 15 9.406 -9.682 -8.578 1.00 0.00 N ATOM 201 CZ ARG A 15 9.893 -10.028 -9.735 1.00 0.00 C ATOM 202 NH1 ARG A 15 10.019 -9.163 -10.690 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.259 -11.251 -9.931 1.00 0.00 N ATOM 0 H ARG A 15 6.645 -5.300 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 15 5.259 -6.195 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.609 -6.036 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.839 -6.817 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.198 -9.001 -7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.002 -8.213 -8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.338 -7.630 -8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.595 -8.033 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 15 9.269 -10.418 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.735 -8.195 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.402 -9.450 -11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.166 -11.938 -9.182 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.641 -11.530 -10.834 1.00 0.00 H new ATOM 217 N LYS A 16 5.293 -8.420 -5.318 1.00 0.00 N ATOM 218 CA LYS A 16 4.682 -9.676 -4.852 1.00 0.00 C ATOM 219 C LYS A 16 3.149 -9.651 -5.004 1.00 0.00 C ATOM 220 O LYS A 16 2.541 -10.613 -5.480 1.00 0.00 O ATOM 221 CB LYS A 16 5.048 -9.921 -3.377 1.00 0.00 C ATOM 222 CG LYS A 16 4.967 -11.386 -2.945 1.00 0.00 C ATOM 223 CD LYS A 16 6.083 -12.218 -3.578 1.00 0.00 C ATOM 224 CE LYS A 16 7.461 -11.672 -3.211 1.00 0.00 C ATOM 225 NZ LYS A 16 8.565 -12.431 -3.855 1.00 0.00 N ATOM 0 H LYS A 16 5.898 -7.971 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 16 5.072 -10.485 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.060 -9.557 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.383 -9.331 -2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.034 -11.451 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.999 -11.798 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.000 -13.253 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.967 -12.220 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.524 -10.625 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.585 -11.705 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.253 -12.723 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.178 -13.274 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.037 -11.828 -4.559 1.00 0.00 H new ATOM 239 N PHE A 17 2.528 -8.548 -4.583 1.00 0.00 N ATOM 240 CA PHE A 17 1.075 -8.373 -4.722 1.00 0.00 C ATOM 241 C PHE A 17 0.681 -7.940 -6.144 1.00 0.00 C ATOM 242 O PHE A 17 -0.379 -8.320 -6.639 1.00 0.00 O ATOM 243 CB PHE A 17 0.541 -7.360 -3.694 1.00 0.00 C ATOM 244 CG PHE A 17 0.076 -7.992 -2.405 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.181 -8.577 -2.331 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.884 -8.008 -1.276 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.622 -9.161 -1.162 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.444 -8.591 -0.103 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.810 -9.170 -0.047 1.00 0.00 C ATOM 0 H PHE A 17 3.005 -7.761 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 17 0.619 -9.344 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.324 -6.635 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.288 -6.808 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.822 -8.575 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.866 -7.560 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.603 -9.611 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.080 -8.594 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.153 -9.629 0.868 1.00 0.00 H new ATOM 259 N ALA A 18 1.531 -7.155 -6.799 1.00 0.00 N ATOM 260 CA ALA A 18 1.245 -6.667 -8.155 1.00 0.00 C ATOM 261 C ALA A 18 1.142 -7.822 -9.168 1.00 0.00 C ATOM 262 O ALA A 18 0.297 -7.805 -10.061 1.00 0.00 O ATOM 263 CB ALA A 18 2.311 -5.665 -8.587 1.00 0.00 C ATOM 0 H ALA A 18 2.424 -6.841 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 18 0.276 -6.168 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.090 -5.310 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.318 -4.821 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.288 -6.148 -8.579 1.00 0.00 H new ATOM 269 N ILE A 19 2.002 -8.828 -9.007 1.00 0.00 N ATOM 270 CA ILE A 19 1.990 -10.013 -9.877 1.00 0.00 C ATOM 271 C ILE A 19 0.943 -11.047 -9.417 1.00 0.00 C ATOM 272 O ILE A 19 0.687 -12.040 -10.102 1.00 0.00 O ATOM 273 CB ILE A 19 3.386 -10.686 -9.926 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.773 -11.220 -8.532 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.434 -9.697 -10.447 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.142 -11.862 -8.470 1.00 0.00 C ATOM 0 H ILE A 19 2.719 -8.849 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 19 1.723 -9.666 -10.875 1.00 0.00 H new ATOM 0 HB ILE A 19 3.346 -11.532 -10.613 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.738 -10.397 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.028 -11.949 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.410 -10.182 -10.476 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.160 -9.372 -11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.479 -8.832 -9.785 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.335 -12.210 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.179 -12.708 -9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.900 -11.131 -8.753 1.00 0.00 H new ATOM 288 N HIS A 20 0.339 -10.808 -8.248 1.00 0.00 N ATOM 289 CA HIS A 20 -0.678 -11.715 -7.699 1.00 0.00 C ATOM 290 C HIS A 20 -1.922 -11.749 -8.602 1.00 0.00 C ATOM 291 O HIS A 20 -2.877 -10.991 -8.407 1.00 0.00 O ATOM 292 CB HIS A 20 -1.053 -11.292 -6.266 1.00 0.00 C ATOM 293 CG HIS A 20 -1.945 -12.259 -5.533 1.00 0.00 C ATOM 294 ND1 HIS A 20 -1.610 -12.813 -4.317 1.00 0.00 N ATOM 295 CD2 HIS A 20 -3.175 -12.745 -5.831 1.00 0.00 C ATOM 296 CE1 HIS A 20 -2.592 -13.592 -3.904 1.00 0.00 C ATOM 297 NE2 HIS A 20 -3.553 -13.565 -4.801 1.00 0.00 N ATOM 0 H HIS A 20 0.536 -9.996 -7.663 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.261 -12.722 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.137 -11.158 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.549 -10.322 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.751 -12.526 -6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.604 -14.157 -2.984 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.436 -14.072 -4.740 1.00 0.00 H new ATOM 306 N GLY A 21 -1.884 -12.622 -9.601 1.00 0.00 N ATOM 307 CA GLY A 21 -2.976 -12.747 -10.560 1.00 0.00 C ATOM 308 C GLY A 21 -2.469 -13.003 -11.974 1.00 0.00 C ATOM 309 O GLY A 21 -3.029 -13.821 -12.710 1.00 0.00 O ATOM 0 H GLY A 21 -1.104 -13.258 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.632 -13.563 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.574 -11.836 -10.549 1.00 0.00 H new ATOM 313 N ASP A 22 -1.388 -12.319 -12.345 1.00 0.00 N ATOM 314 CA ASP A 22 -0.791 -12.469 -13.675 1.00 0.00 C ATOM 315 C ASP A 22 0.721 -12.750 -13.568 1.00 0.00 C ATOM 316 O ASP A 22 1.496 -11.879 -13.175 1.00 0.00 O ATOM 317 CB ASP A 22 -1.038 -11.205 -14.507 1.00 0.00 C ATOM 318 CG ASP A 22 -0.692 -11.406 -15.971 1.00 0.00 C ATOM 319 OD1 ASP A 22 0.509 -11.447 -16.304 1.00 0.00 O ATOM 320 OD2 ASP A 22 -1.623 -11.555 -16.795 1.00 0.00 O ATOM 0 H ASP A 22 -0.905 -11.653 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.261 -13.318 -14.170 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.085 -10.913 -14.419 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.444 -10.385 -14.104 1.00 0.00 H new ATOM 325 N PRO A 23 1.163 -13.974 -13.927 1.00 0.00 N ATOM 326 CA PRO A 23 2.577 -14.374 -13.802 1.00 0.00 C ATOM 327 C PRO A 23 3.509 -13.772 -14.878 1.00 0.00 C ATOM 328 O PRO A 23 4.714 -14.039 -14.875 1.00 0.00 O ATOM 329 CB PRO A 23 2.509 -15.899 -13.944 1.00 0.00 C ATOM 330 CG PRO A 23 1.322 -16.141 -14.814 1.00 0.00 C ATOM 331 CD PRO A 23 0.323 -15.068 -14.461 1.00 0.00 C ATOM 0 HA PRO A 23 3.006 -14.016 -12.866 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.419 -16.297 -14.394 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.395 -16.383 -12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.594 -16.089 -15.868 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.906 -17.134 -14.640 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.246 -14.747 -15.333 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.397 -15.418 -13.722 1.00 0.00 H new ATOM 339 N LYS A 24 2.968 -12.973 -15.797 1.00 0.00 N ATOM 340 CA LYS A 24 3.798 -12.334 -16.831 1.00 0.00 C ATOM 341 C LYS A 24 4.100 -10.872 -16.470 1.00 0.00 C ATOM 342 O LYS A 24 5.130 -10.322 -16.869 1.00 0.00 O ATOM 343 CB LYS A 24 3.127 -12.405 -18.214 1.00 0.00 C ATOM 344 CG LYS A 24 2.788 -13.825 -18.679 1.00 0.00 C ATOM 345 CD LYS A 24 1.442 -14.306 -18.138 1.00 0.00 C ATOM 346 CE LYS A 24 0.283 -13.513 -18.735 1.00 0.00 C ATOM 347 NZ LYS A 24 -1.026 -13.890 -18.140 1.00 0.00 N ATOM 0 H LYS A 24 1.974 -12.752 -15.852 1.00 0.00 H new ATOM 0 HA LYS A 24 4.737 -12.885 -16.876 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.211 -11.815 -18.191 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.786 -11.942 -18.949 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.771 -13.854 -19.768 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.573 -14.508 -18.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.315 -15.365 -18.365 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.429 -14.209 -17.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.457 -12.448 -18.580 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.250 -13.677 -19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.620 -14.341 -18.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.872 -14.556 -17.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.503 -13.038 -17.782 1.00 0.00 H new ATOM 361 N ALA A 25 3.192 -10.252 -15.721 1.00 0.00 N ATOM 362 CA ALA A 25 3.349 -8.860 -15.287 1.00 0.00 C ATOM 363 C ALA A 25 4.657 -8.634 -14.504 1.00 0.00 C ATOM 364 O ALA A 25 5.018 -9.421 -13.628 1.00 0.00 O ATOM 365 CB ALA A 25 2.153 -8.446 -14.439 1.00 0.00 C ATOM 0 H ALA A 25 2.331 -10.694 -15.398 1.00 0.00 H new ATOM 0 HA ALA A 25 3.400 -8.241 -16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.275 -7.411 -14.119 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.240 -8.539 -15.027 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.087 -9.091 -13.563 1.00 0.00 H new ATOM 371 N SER A 26 5.362 -7.550 -14.834 1.00 0.00 N ATOM 372 CA SER A 26 6.610 -7.186 -14.140 1.00 0.00 C ATOM 373 C SER A 26 6.357 -6.818 -12.671 1.00 0.00 C ATOM 374 O SER A 26 7.179 -7.101 -11.800 1.00 0.00 O ATOM 375 CB SER A 26 7.292 -6.005 -14.842 1.00 0.00 C ATOM 376 OG SER A 26 7.560 -6.299 -16.204 1.00 0.00 O ATOM 0 H SER A 26 5.094 -6.905 -15.577 1.00 0.00 H new ATOM 0 HA SER A 26 7.260 -8.060 -14.172 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.655 -5.123 -14.777 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.223 -5.764 -14.330 1.00 0.00 H new ATOM 0 HG SER A 26 7.993 -5.528 -16.626 1.00 0.00 H new ATOM 382 N GLY A 27 5.211 -6.183 -12.411 1.00 0.00 N ATOM 383 CA GLY A 27 4.860 -5.770 -11.051 1.00 0.00 C ATOM 384 C GLY A 27 5.193 -4.309 -10.744 1.00 0.00 C ATOM 385 O GLY A 27 5.743 -4.003 -9.688 1.00 0.00 O ATOM 0 H GLY A 27 4.516 -5.945 -13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.793 -5.930 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.384 -6.409 -10.341 1.00 0.00 H new ATOM 389 N GLN A 28 4.847 -3.400 -11.660 1.00 0.00 N ATOM 390 CA GLN A 28 5.102 -1.961 -11.458 1.00 0.00 C ATOM 391 C GLN A 28 3.812 -1.212 -11.074 1.00 0.00 C ATOM 392 O GLN A 28 3.854 -0.083 -10.579 1.00 0.00 O ATOM 393 CB GLN A 28 5.696 -1.329 -12.733 1.00 0.00 C ATOM 394 CG GLN A 28 4.650 -0.953 -13.785 1.00 0.00 C ATOM 395 CD GLN A 28 5.246 -0.284 -15.009 1.00 0.00 C ATOM 396 OE1 GLN A 28 6.306 0.330 -14.946 1.00 0.00 O ATOM 397 NE2 GLN A 28 4.542 -0.355 -16.121 1.00 0.00 N ATOM 0 H GLN A 28 4.392 -3.627 -12.544 1.00 0.00 H new ATOM 0 HA GLN A 28 5.817 -1.870 -10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.256 -0.436 -12.457 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.407 -2.027 -13.175 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.116 -1.852 -14.094 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.916 -0.285 -13.335 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.665 -0.875 -16.137 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.875 0.110 -16.966 1.00 0.00 H new ATOM 406 N GLU A 29 2.670 -1.854 -11.310 1.00 0.00 N ATOM 407 CA GLU A 29 1.356 -1.233 -11.106 1.00 0.00 C ATOM 408 C GLU A 29 0.389 -2.205 -10.410 1.00 0.00 C ATOM 409 O GLU A 29 0.547 -3.423 -10.507 1.00 0.00 O ATOM 410 CB GLU A 29 0.795 -0.763 -12.462 1.00 0.00 C ATOM 411 CG GLU A 29 0.831 -1.838 -13.549 1.00 0.00 C ATOM 412 CD GLU A 29 0.568 -1.281 -14.944 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.460 -0.591 -15.488 1.00 0.00 O ATOM 414 OE2 GLU A 29 -0.519 -1.536 -15.509 1.00 0.00 O ATOM 0 H GLU A 29 2.625 -2.816 -11.647 1.00 0.00 H new ATOM 0 HA GLU A 29 1.469 -0.368 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.235 -0.433 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.365 0.102 -12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.805 -2.328 -13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.087 -2.602 -13.322 1.00 0.00 H new ATOM 421 N MET A 30 -0.604 -1.661 -9.703 1.00 0.00 N ATOM 422 CA MET A 30 -1.524 -2.480 -8.902 1.00 0.00 C ATOM 423 C MET A 30 -2.962 -1.926 -8.928 1.00 0.00 C ATOM 424 O MET A 30 -3.173 -0.711 -8.932 1.00 0.00 O ATOM 425 CB MET A 30 -1.019 -2.550 -7.450 1.00 0.00 C ATOM 426 CG MET A 30 -1.868 -3.428 -6.539 1.00 0.00 C ATOM 427 SD MET A 30 -1.264 -3.476 -4.841 1.00 0.00 S ATOM 428 CE MET A 30 0.387 -4.131 -5.080 1.00 0.00 C ATOM 0 H MET A 30 -0.794 -0.659 -9.667 1.00 0.00 H new ATOM 0 HA MET A 30 -1.548 -3.478 -9.339 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.004 -2.927 -7.450 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.987 -1.541 -7.038 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.894 -3.060 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.891 -4.442 -6.939 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.874 -4.252 -4.112 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.326 -5.098 -5.579 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.966 -3.442 -5.695 1.00 0.00 H new ATOM 438 N ASN A 31 -3.950 -2.830 -8.936 1.00 0.00 N ATOM 439 CA ASN A 31 -5.367 -2.435 -8.901 1.00 0.00 C ATOM 440 C ASN A 31 -5.886 -2.325 -7.459 1.00 0.00 C ATOM 441 O ASN A 31 -5.252 -2.805 -6.516 1.00 0.00 O ATOM 442 CB ASN A 31 -6.234 -3.426 -9.698 1.00 0.00 C ATOM 443 CG ASN A 31 -6.007 -4.876 -9.312 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.605 -5.181 -8.199 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.282 -5.782 -10.225 1.00 0.00 N ATOM 0 H ASN A 31 -3.796 -3.838 -8.966 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.439 -1.451 -9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.285 -3.179 -9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.026 -3.305 -10.761 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.161 -6.772 -10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.616 -5.494 -11.145 1.00 0.00 H new ATOM 452 N GLY A 32 -7.055 -1.702 -7.300 1.00 0.00 N ATOM 453 CA GLY A 32 -7.657 -1.545 -5.977 1.00 0.00 C ATOM 454 C GLY A 32 -7.997 -2.872 -5.310 1.00 0.00 C ATOM 455 O GLY A 32 -8.164 -2.943 -4.093 1.00 0.00 O ATOM 0 H GLY A 32 -7.599 -1.301 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.972 -0.989 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.565 -0.948 -6.067 1.00 0.00 H new ATOM 459 N LYS A 33 -8.110 -3.921 -6.116 1.00 0.00 N ATOM 460 CA LYS A 33 -8.386 -5.268 -5.615 1.00 0.00 C ATOM 461 C LYS A 33 -7.191 -5.837 -4.831 1.00 0.00 C ATOM 462 O LYS A 33 -7.329 -6.232 -3.670 1.00 0.00 O ATOM 463 CB LYS A 33 -8.757 -6.181 -6.790 1.00 0.00 C ATOM 464 CG LYS A 33 -10.102 -5.827 -7.419 1.00 0.00 C ATOM 465 CD LYS A 33 -11.249 -5.978 -6.419 1.00 0.00 C ATOM 466 CE LYS A 33 -12.551 -5.382 -6.944 1.00 0.00 C ATOM 467 NZ LYS A 33 -12.474 -3.900 -7.076 1.00 0.00 N ATOM 0 H LYS A 33 -8.014 -3.866 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.225 -5.216 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.979 -6.119 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.784 -7.215 -6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.073 -4.802 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.282 -6.471 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.398 -7.035 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.979 -5.490 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.785 -5.821 -7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.367 -5.644 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.432 -3.511 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.033 -3.498 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.903 -3.655 -7.910 1.00 0.00 H new ATOM 481 N ASN A 34 -6.025 -5.868 -5.466 1.00 0.00 N ATOM 482 CA ASN A 34 -4.794 -6.321 -4.812 1.00 0.00 C ATOM 483 C ASN A 34 -4.385 -5.367 -3.677 1.00 0.00 C ATOM 484 O ASN A 34 -3.861 -5.799 -2.653 1.00 0.00 O ATOM 485 CB ASN A 34 -3.664 -6.439 -5.843 1.00 0.00 C ATOM 486 CG ASN A 34 -3.946 -7.497 -6.898 1.00 0.00 C ATOM 487 OD1 ASN A 34 -5.093 -7.837 -7.180 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.902 -8.018 -7.505 1.00 0.00 N ATOM 0 H ASN A 34 -5.902 -5.584 -6.438 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.981 -7.302 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.519 -5.475 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.733 -6.681 -5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.033 -8.723 -8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.961 -7.717 -7.251 1.00 0.00 H new ATOM 495 N TRP A 35 -4.641 -4.071 -3.869 1.00 0.00 N ATOM 496 CA TRP A 35 -4.389 -3.051 -2.837 1.00 0.00 C ATOM 497 C TRP A 35 -5.245 -3.294 -1.578 1.00 0.00 C ATOM 498 O TRP A 35 -4.735 -3.272 -0.452 1.00 0.00 O ATOM 499 CB TRP A 35 -4.669 -1.652 -3.422 1.00 0.00 C ATOM 500 CG TRP A 35 -4.810 -0.553 -2.399 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.950 0.139 -2.101 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.786 -0.022 -1.548 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.695 1.073 -1.128 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.377 0.991 -0.769 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.427 -0.302 -1.370 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.659 1.722 0.172 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.716 0.425 -0.433 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.333 1.425 0.327 1.00 0.00 C ATOM 0 H TRP A 35 -5.026 -3.696 -4.736 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.344 -3.117 -2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.861 -1.391 -4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.584 -1.698 -4.013 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.912 -0.025 -2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.377 1.723 -0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.942 -1.071 -1.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.131 2.496 0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.666 0.217 -0.285 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.750 1.974 1.051 1.00 0.00 H new ATOM 519 N ALA A 36 -6.545 -3.523 -1.770 1.00 0.00 N ATOM 520 CA ALA A 36 -7.450 -3.824 -0.653 1.00 0.00 C ATOM 521 C ALA A 36 -7.016 -5.101 0.082 1.00 0.00 C ATOM 522 O ALA A 36 -6.938 -5.133 1.314 1.00 0.00 O ATOM 523 CB ALA A 36 -8.887 -3.956 -1.154 1.00 0.00 C ATOM 0 H ALA A 36 -6.996 -3.507 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.401 -2.997 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.546 -4.179 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.197 -3.021 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.945 -4.762 -1.885 1.00 0.00 H new ATOM 529 N LYS A 37 -6.713 -6.146 -0.687 1.00 0.00 N ATOM 530 CA LYS A 37 -6.244 -7.416 -0.124 1.00 0.00 C ATOM 531 C LYS A 37 -4.886 -7.240 0.575 1.00 0.00 C ATOM 532 O LYS A 37 -4.611 -7.873 1.595 1.00 0.00 O ATOM 533 CB LYS A 37 -6.143 -8.470 -1.234 1.00 0.00 C ATOM 534 CG LYS A 37 -5.913 -9.890 -0.725 1.00 0.00 C ATOM 535 CD LYS A 37 -5.920 -10.905 -1.867 1.00 0.00 C ATOM 536 CE LYS A 37 -5.794 -12.335 -1.357 1.00 0.00 C ATOM 537 NZ LYS A 37 -6.925 -12.713 -0.469 1.00 0.00 N ATOM 0 H LYS A 37 -6.783 -6.140 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.964 -7.752 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.060 -8.451 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.327 -8.199 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.959 -9.939 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.688 -10.148 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.843 -10.803 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.098 -10.689 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.754 -13.020 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.855 -12.445 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.953 -13.747 -0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.795 -12.273 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.819 -12.383 -0.886 1.00 0.00 H new ATOM 551 N LEU A 38 -4.050 -6.363 0.019 1.00 0.00 N ATOM 552 CA LEU A 38 -2.754 -6.020 0.616 1.00 0.00 C ATOM 553 C LEU A 38 -2.952 -5.447 2.027 1.00 0.00 C ATOM 554 O LEU A 38 -2.246 -5.818 2.970 1.00 0.00 O ATOM 555 CB LEU A 38 -2.015 -5.009 -0.295 1.00 0.00 C ATOM 556 CG LEU A 38 -0.530 -4.728 0.029 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.166 -4.094 -1.175 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.380 -3.822 1.251 1.00 0.00 C ATOM 0 H LEU A 38 -4.248 -5.872 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.146 -6.921 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.075 -5.371 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.555 -4.063 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.059 -5.684 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.211 -3.902 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.110 -4.772 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.326 -3.155 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.678 -3.648 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.876 -2.870 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.835 -4.302 2.118 1.00 0.00 H new ATOM 570 N CYS A 39 -3.920 -4.542 2.164 1.00 0.00 N ATOM 571 CA CYS A 39 -4.251 -3.951 3.464 1.00 0.00 C ATOM 572 C CYS A 39 -4.687 -5.025 4.474 1.00 0.00 C ATOM 573 O CYS A 39 -4.236 -5.030 5.618 1.00 0.00 O ATOM 574 CB CYS A 39 -5.355 -2.898 3.310 1.00 0.00 C ATOM 575 SG CYS A 39 -4.886 -1.479 2.290 1.00 0.00 S ATOM 0 H CYS A 39 -4.491 -4.200 1.391 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.350 -3.470 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.235 -3.371 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.643 -2.542 4.299 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.753 -1.858 1.054 1.00 0.00 H new ATOM 581 N LYS A 40 -5.562 -5.934 4.044 1.00 0.00 N ATOM 582 CA LYS A 40 -6.003 -7.043 4.901 1.00 0.00 C ATOM 583 C LYS A 40 -4.822 -7.932 5.329 1.00 0.00 C ATOM 584 O LYS A 40 -4.629 -8.188 6.519 1.00 0.00 O ATOM 585 CB LYS A 40 -7.057 -7.895 4.183 1.00 0.00 C ATOM 586 CG LYS A 40 -7.586 -9.053 5.028 1.00 0.00 C ATOM 587 CD LYS A 40 -8.263 -8.559 6.303 1.00 0.00 C ATOM 588 CE LYS A 40 -8.789 -9.709 7.152 1.00 0.00 C ATOM 589 NZ LYS A 40 -7.707 -10.637 7.588 1.00 0.00 N ATOM 0 H LYS A 40 -5.979 -5.928 3.113 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.443 -6.605 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.892 -7.257 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.626 -8.294 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.296 -9.636 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.763 -9.719 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.553 -7.973 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.087 -7.895 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.294 -9.307 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.534 -10.266 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.074 -11.278 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.378 -11.194 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.913 -10.087 7.975 1.00 0.00 H new ATOM 603 N ASP A 41 -4.037 -8.393 4.354 1.00 0.00 N ATOM 604 CA ASP A 41 -2.847 -9.216 4.627 1.00 0.00 C ATOM 605 C ASP A 41 -1.914 -8.520 5.631 1.00 0.00 C ATOM 606 O ASP A 41 -1.374 -9.151 6.541 1.00 0.00 O ATOM 607 CB ASP A 41 -2.092 -9.502 3.321 1.00 0.00 C ATOM 608 CG ASP A 41 -0.777 -10.235 3.549 1.00 0.00 C ATOM 609 OD1 ASP A 41 -0.799 -11.473 3.717 1.00 0.00 O ATOM 610 OD2 ASP A 41 0.283 -9.573 3.577 1.00 0.00 O ATOM 0 H ASP A 41 -4.201 -8.212 3.364 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.178 -10.158 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.725 -10.097 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.894 -8.561 2.807 1.00 0.00 H new ATOM 615 N CYS A 42 -1.743 -7.211 5.457 1.00 0.00 N ATOM 616 CA CYS A 42 -0.875 -6.408 6.329 1.00 0.00 C ATOM 617 C CYS A 42 -1.639 -5.840 7.536 1.00 0.00 C ATOM 618 O CYS A 42 -1.068 -5.126 8.361 1.00 0.00 O ATOM 619 CB CYS A 42 -0.237 -5.276 5.520 1.00 0.00 C ATOM 620 SG CYS A 42 0.655 -5.855 4.057 1.00 0.00 S ATOM 0 H CYS A 42 -2.196 -6.677 4.715 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.095 -7.062 6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.014 -4.578 5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.450 -4.724 6.161 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.193 -6.114 3.106 1.00 0.00 H new ATOM 626 N LYS A 43 -2.931 -6.167 7.626 1.00 0.00 N ATOM 627 CA LYS A 43 -3.781 -5.756 8.751 1.00 0.00 C ATOM 628 C LYS A 43 -3.778 -4.229 8.952 1.00 0.00 C ATOM 629 O LYS A 43 -3.887 -3.738 10.074 1.00 0.00 O ATOM 630 CB LYS A 43 -3.320 -6.479 10.023 1.00 0.00 C ATOM 631 CG LYS A 43 -3.280 -7.996 9.864 1.00 0.00 C ATOM 632 CD LYS A 43 -2.695 -8.690 11.087 1.00 0.00 C ATOM 633 CE LYS A 43 -3.571 -8.514 12.321 1.00 0.00 C ATOM 634 NZ LYS A 43 -4.911 -9.133 12.146 1.00 0.00 N ATOM 0 H LYS A 43 -3.418 -6.723 6.923 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.810 -6.037 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.328 -6.122 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.990 -6.223 10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.289 -8.367 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.687 -8.252 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.575 -9.753 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.701 -8.291 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.076 -8.960 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.688 -7.451 12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.391 -9.187 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.478 -8.555 11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.803 -10.091 11.755 1.00 0.00 H new ATOM 648 N VAL A 44 -3.663 -3.490 7.848 1.00 0.00 N ATOM 649 CA VAL A 44 -3.679 -2.022 7.881 1.00 0.00 C ATOM 650 C VAL A 44 -5.090 -1.473 8.168 1.00 0.00 C ATOM 651 O VAL A 44 -5.241 -0.399 8.751 1.00 0.00 O ATOM 652 CB VAL A 44 -3.159 -1.422 6.547 1.00 0.00 C ATOM 653 CG1 VAL A 44 -3.130 0.106 6.602 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.774 -1.973 6.212 1.00 0.00 C ATOM 0 H VAL A 44 -3.557 -3.884 6.913 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.015 -1.723 8.692 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.849 -1.717 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.761 0.497 5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.137 0.483 6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.471 0.429 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.427 -1.540 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.077 -1.715 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.828 -3.057 6.113 1.00 0.00 H new ATOM 664 N ALA A 45 -6.118 -2.217 7.755 1.00 0.00 N ATOM 665 CA ALA A 45 -7.511 -1.794 7.950 1.00 0.00 C ATOM 666 C ALA A 45 -8.136 -2.444 9.198 1.00 0.00 C ATOM 667 O ALA A 45 -8.517 -3.619 9.176 1.00 0.00 O ATOM 668 CB ALA A 45 -8.337 -2.119 6.706 1.00 0.00 C ATOM 0 H ALA A 45 -6.015 -3.115 7.283 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.513 -0.716 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.368 -1.801 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.921 -1.594 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.312 -3.193 6.523 1.00 0.00 H new ATOM 674 N ASP A 46 -8.235 -1.670 10.281 1.00 0.00 N ATOM 675 CA ASP A 46 -8.816 -2.150 11.546 1.00 0.00 C ATOM 676 C ASP A 46 -10.257 -2.657 11.368 1.00 0.00 C ATOM 677 O ASP A 46 -10.611 -3.755 11.801 1.00 0.00 O ATOM 678 CB ASP A 46 -8.846 -1.018 12.582 1.00 0.00 C ATOM 679 CG ASP A 46 -7.502 -0.361 12.790 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.203 0.612 12.076 1.00 0.00 O ATOM 681 OD2 ASP A 46 -6.746 -0.804 13.683 1.00 0.00 O ATOM 0 H ASP A 46 -7.919 -0.701 10.311 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.186 -2.973 11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.566 -0.264 12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.199 -1.415 13.534 1.00 0.00 H new ATOM 686 N GLY A 47 -11.082 -1.832 10.733 1.00 0.00 N ATOM 687 CA GLY A 47 -12.528 -2.035 10.747 1.00 0.00 C ATOM 688 C GLY A 47 -13.195 -1.193 11.834 1.00 0.00 C ATOM 689 O GLY A 47 -14.406 -0.980 11.826 1.00 0.00 O ATOM 0 H GLY A 47 -10.776 -1.017 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.944 -1.773 9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.748 -3.089 10.914 1.00 0.00 H new ATOM 693 N LYS A 48 -12.377 -0.719 12.773 1.00 0.00 N ATOM 694 CA LYS A 48 -12.822 0.165 13.855 1.00 0.00 C ATOM 695 C LYS A 48 -12.558 1.637 13.495 1.00 0.00 C ATOM 696 O LYS A 48 -13.487 2.429 13.348 1.00 0.00 O ATOM 697 CB LYS A 48 -12.081 -0.199 15.149 1.00 0.00 C ATOM 698 CG LYS A 48 -12.376 0.723 16.324 1.00 0.00 C ATOM 699 CD LYS A 48 -11.501 0.414 17.546 1.00 0.00 C ATOM 700 CE LYS A 48 -10.011 0.667 17.288 1.00 0.00 C ATOM 701 NZ LYS A 48 -9.356 -0.441 16.533 1.00 0.00 N ATOM 0 H LYS A 48 -11.381 -0.937 12.807 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.894 0.034 13.999 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.344 -1.219 15.429 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.009 -0.188 14.955 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.217 1.757 16.019 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.426 0.630 16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.829 1.026 18.386 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.643 -0.627 17.835 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.897 1.597 16.731 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.500 0.802 18.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.477 -0.717 17.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.998 -1.258 16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.136 -0.121 15.568 1.00 0.00 H new ATOM 715 N SER A 49 -11.277 1.987 13.352 1.00 0.00 N ATOM 716 CA SER A 49 -10.876 3.347 12.957 1.00 0.00 C ATOM 717 C SER A 49 -10.638 3.424 11.442 1.00 0.00 C ATOM 718 O SER A 49 -11.369 4.108 10.722 1.00 0.00 O ATOM 719 CB SER A 49 -9.613 3.765 13.717 1.00 0.00 C ATOM 720 OG SER A 49 -8.579 2.814 13.548 1.00 0.00 O ATOM 0 H SER A 49 -10.496 1.349 13.503 1.00 0.00 H new ATOM 0 HA SER A 49 -11.684 4.034 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.277 4.739 13.362 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.842 3.874 14.777 1.00 0.00 H new ATOM 0 HG SER A 49 -7.784 3.105 14.041 1.00 0.00 H new ATOM 726 N VAL A 50 -9.607 2.730 10.959 1.00 0.00 N ATOM 727 CA VAL A 50 -9.411 2.558 9.516 1.00 0.00 C ATOM 728 C VAL A 50 -10.283 1.394 9.025 1.00 0.00 C ATOM 729 O VAL A 50 -9.928 0.228 9.186 1.00 0.00 O ATOM 730 CB VAL A 50 -7.927 2.287 9.156 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.742 2.167 7.641 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.023 3.375 9.731 1.00 0.00 C ATOM 0 H VAL A 50 -8.899 2.280 11.539 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.701 3.486 9.024 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.640 1.336 9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.692 1.977 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.348 1.343 7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.053 3.095 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.987 3.165 9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.313 4.343 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.123 3.395 10.816 1.00 0.00 H new ATOM 742 N THR A 51 -11.439 1.715 8.455 1.00 0.00 N ATOM 743 CA THR A 51 -12.463 0.700 8.159 1.00 0.00 C ATOM 744 C THR A 51 -12.291 0.083 6.762 1.00 0.00 C ATOM 745 O THR A 51 -11.675 -0.973 6.607 1.00 0.00 O ATOM 746 CB THR A 51 -13.888 1.296 8.297 1.00 0.00 C ATOM 747 OG1 THR A 51 -14.071 2.374 7.362 1.00 0.00 O ATOM 748 CG2 THR A 51 -14.127 1.814 9.711 1.00 0.00 C ATOM 0 H THR A 51 -11.697 2.665 8.187 1.00 0.00 H new ATOM 0 HA THR A 51 -12.331 -0.096 8.892 1.00 0.00 H new ATOM 0 HB THR A 51 -14.604 0.502 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.852 2.190 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.133 2.227 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.020 0.994 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.399 2.591 9.942 1.00 0.00 H new ATOM 756 N GLY A 52 -12.834 0.751 5.753 1.00 0.00 N ATOM 757 CA GLY A 52 -12.739 0.288 4.376 1.00 0.00 C ATOM 758 C GLY A 52 -12.817 1.448 3.401 1.00 0.00 C ATOM 759 O GLY A 52 -12.103 1.480 2.393 1.00 0.00 O ATOM 0 H GLY A 52 -13.350 1.624 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.801 -0.248 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.544 -0.418 4.171 1.00 0.00 H new ATOM 763 N THR A 53 -13.687 2.416 3.717 1.00 0.00 N ATOM 764 CA THR A 53 -13.753 3.670 2.953 1.00 0.00 C ATOM 765 C THR A 53 -12.361 4.246 2.785 1.00 0.00 C ATOM 766 O THR A 53 -11.909 4.494 1.670 1.00 0.00 O ATOM 767 CB THR A 53 -14.607 4.759 3.655 1.00 0.00 C ATOM 768 OG1 THR A 53 -13.922 5.266 4.816 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.947 4.208 4.082 1.00 0.00 C ATOM 0 H THR A 53 -14.350 2.357 4.490 1.00 0.00 H new ATOM 0 HA THR A 53 -14.211 3.416 1.997 1.00 0.00 H new ATOM 0 HB THR A 53 -14.763 5.565 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.473 5.953 5.247 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.524 4.993 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.489 3.851 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.796 3.382 4.777 1.00 0.00 H new ATOM 777 N ASP A 54 -11.681 4.414 3.915 1.00 0.00 N ATOM 778 CA ASP A 54 -10.367 5.033 3.944 1.00 0.00 C ATOM 779 C ASP A 54 -9.440 4.422 2.880 1.00 0.00 C ATOM 780 O ASP A 54 -8.824 5.132 2.090 1.00 0.00 O ATOM 781 CB ASP A 54 -9.742 4.878 5.338 1.00 0.00 C ATOM 782 CG ASP A 54 -10.678 5.324 6.448 1.00 0.00 C ATOM 783 OD1 ASP A 54 -11.453 4.484 6.955 1.00 0.00 O ATOM 784 OD2 ASP A 54 -10.653 6.518 6.816 1.00 0.00 O ATOM 0 H ASP A 54 -12.026 4.125 4.830 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.488 6.093 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.468 3.835 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.822 5.460 5.387 1.00 0.00 H new ATOM 789 N VAL A 55 -9.389 3.090 2.852 1.00 0.00 N ATOM 790 CA VAL A 55 -8.538 2.354 1.905 1.00 0.00 C ATOM 791 C VAL A 55 -8.905 2.652 0.434 1.00 0.00 C ATOM 792 O VAL A 55 -8.021 2.808 -0.416 1.00 0.00 O ATOM 793 CB VAL A 55 -8.630 0.824 2.155 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.730 0.051 1.189 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.279 0.497 3.609 1.00 0.00 C ATOM 0 H VAL A 55 -9.929 2.492 3.477 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.517 2.694 2.077 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.658 0.512 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.815 -1.017 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.037 0.255 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.695 0.364 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.349 -0.579 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.263 0.830 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.975 1.007 4.275 1.00 0.00 H new ATOM 805 N ASP A 56 -10.206 2.751 0.139 1.00 0.00 N ATOM 806 CA ASP A 56 -10.668 2.955 -1.238 1.00 0.00 C ATOM 807 C ASP A 56 -10.425 4.414 -1.670 1.00 0.00 C ATOM 808 O ASP A 56 -9.930 4.691 -2.773 1.00 0.00 O ATOM 809 CB ASP A 56 -12.163 2.597 -1.336 1.00 0.00 C ATOM 810 CG ASP A 56 -12.605 2.256 -2.754 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.774 3.177 -3.576 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.798 1.055 -3.051 1.00 0.00 O ATOM 0 H ASP A 56 -10.953 2.694 0.831 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.106 2.306 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.371 1.749 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.756 3.435 -0.969 1.00 0.00 H new ATOM 817 N ILE A 57 -10.745 5.340 -0.769 1.00 0.00 N ATOM 818 CA ILE A 57 -10.574 6.771 -1.025 1.00 0.00 C ATOM 819 C ILE A 57 -9.096 7.120 -1.249 1.00 0.00 C ATOM 820 O ILE A 57 -8.758 7.846 -2.184 1.00 0.00 O ATOM 821 CB ILE A 57 -11.142 7.623 0.141 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.568 7.153 0.487 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.120 9.110 -0.217 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.328 8.080 1.416 1.00 0.00 C ATOM 0 H ILE A 57 -11.127 5.124 0.152 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.132 7.005 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.512 7.487 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.134 7.041 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.510 6.166 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.522 9.690 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.094 9.422 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.728 9.279 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.321 7.672 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.788 8.173 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.422 9.062 0.953 1.00 0.00 H new ATOM 836 N VAL A 58 -8.217 6.589 -0.398 1.00 0.00 N ATOM 837 CA VAL A 58 -6.772 6.788 -0.554 1.00 0.00 C ATOM 838 C VAL A 58 -6.279 6.246 -1.907 1.00 0.00 C ATOM 839 O VAL A 58 -5.483 6.896 -2.591 1.00 0.00 O ATOM 840 CB VAL A 58 -5.978 6.122 0.599 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.469 6.216 0.357 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.346 6.762 1.934 1.00 0.00 C ATOM 0 H VAL A 58 -8.478 6.018 0.406 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.593 7.863 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.247 5.066 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.938 5.741 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.218 5.711 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.175 7.264 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.781 6.284 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.107 7.825 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.413 6.634 2.117 1.00 0.00 H new ATOM 852 N PHE A 59 -6.781 5.073 -2.303 1.00 0.00 N ATOM 853 CA PHE A 59 -6.407 4.467 -3.585 1.00 0.00 C ATOM 854 C PHE A 59 -6.665 5.427 -4.759 1.00 0.00 C ATOM 855 O PHE A 59 -5.860 5.525 -5.683 1.00 0.00 O ATOM 856 CB PHE A 59 -7.165 3.148 -3.806 1.00 0.00 C ATOM 857 CG PHE A 59 -6.816 2.466 -5.107 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.562 1.901 -5.294 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.735 2.398 -6.144 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.233 1.284 -6.485 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.410 1.781 -7.336 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.158 1.224 -7.508 1.00 0.00 C ATOM 0 H PHE A 59 -7.445 4.525 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.338 4.258 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.949 2.471 -2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.237 3.345 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.834 1.944 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.716 2.832 -6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.253 0.849 -6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.136 1.734 -8.135 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.903 0.743 -8.441 1.00 0.00 H new ATOM 872 N SER A 60 -7.793 6.136 -4.718 1.00 0.00 N ATOM 873 CA SER A 60 -8.112 7.129 -5.759 1.00 0.00 C ATOM 874 C SER A 60 -7.377 8.452 -5.501 1.00 0.00 C ATOM 875 O SER A 60 -6.972 9.150 -6.433 1.00 0.00 O ATOM 876 CB SER A 60 -9.621 7.403 -5.810 1.00 0.00 C ATOM 877 OG SER A 60 -10.031 8.218 -4.723 1.00 0.00 O ATOM 0 H SER A 60 -8.498 6.047 -3.986 1.00 0.00 H new ATOM 0 HA SER A 60 -7.785 6.714 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.873 7.893 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.166 6.459 -5.786 1.00 0.00 H new ATOM 0 HG SER A 60 -9.573 7.928 -3.906 1.00 0.00 H new ATOM 883 N LYS A 61 -7.206 8.783 -4.226 1.00 0.00 N ATOM 884 CA LYS A 61 -6.625 10.064 -3.808 1.00 0.00 C ATOM 885 C LYS A 61 -5.148 10.197 -4.223 1.00 0.00 C ATOM 886 O LYS A 61 -4.671 11.298 -4.502 1.00 0.00 O ATOM 887 CB LYS A 61 -6.770 10.219 -2.285 1.00 0.00 C ATOM 888 CG LYS A 61 -6.483 11.623 -1.764 1.00 0.00 C ATOM 889 CD LYS A 61 -6.757 11.737 -0.265 1.00 0.00 C ATOM 890 CE LYS A 61 -6.597 13.170 0.235 1.00 0.00 C ATOM 891 NZ LYS A 61 -7.541 14.105 -0.433 1.00 0.00 N ATOM 0 H LYS A 61 -7.465 8.174 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.170 10.861 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.784 9.939 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.095 9.518 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.443 11.880 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.099 12.344 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.768 11.389 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.075 11.084 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.761 13.198 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.574 13.502 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.595 14.991 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.205 14.309 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.485 13.670 -0.480 1.00 0.00 H new ATOM 905 N VAL A 62 -4.433 9.074 -4.274 1.00 0.00 N ATOM 906 CA VAL A 62 -3.009 9.082 -4.644 1.00 0.00 C ATOM 907 C VAL A 62 -2.785 8.963 -6.166 1.00 0.00 C ATOM 908 O VAL A 62 -1.648 9.038 -6.632 1.00 0.00 O ATOM 909 CB VAL A 62 -2.238 7.944 -3.930 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.322 8.108 -2.414 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.760 6.572 -4.365 1.00 0.00 C ATOM 0 H VAL A 62 -4.809 8.149 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.625 10.049 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.189 8.007 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.775 7.299 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.886 9.065 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.366 8.077 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.202 5.790 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.817 6.489 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.632 6.459 -5.442 1.00 0.00 H new ATOM 921 N LYS A 63 -3.866 8.794 -6.932 1.00 0.00 N ATOM 922 CA LYS A 63 -3.768 8.628 -8.395 1.00 0.00 C ATOM 923 C LYS A 63 -3.391 9.937 -9.117 1.00 0.00 C ATOM 924 O LYS A 63 -3.492 11.031 -8.552 1.00 0.00 O ATOM 925 CB LYS A 63 -5.092 8.097 -8.968 1.00 0.00 C ATOM 926 CG LYS A 63 -5.416 6.659 -8.578 1.00 0.00 C ATOM 927 CD LYS A 63 -6.723 6.193 -9.212 1.00 0.00 C ATOM 928 CE LYS A 63 -6.986 4.710 -8.984 1.00 0.00 C ATOM 929 NZ LYS A 63 -8.233 4.266 -9.665 1.00 0.00 N ATOM 0 H LYS A 63 -4.819 8.768 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.969 7.908 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.904 8.743 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.057 8.167 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.604 6.003 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.488 6.582 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.549 6.773 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.695 6.393 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.141 4.129 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.064 4.513 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.382 3.252 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.042 4.804 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.147 4.431 -10.688 1.00 0.00 H new ATOM 943 N GLY A 64 -2.948 9.809 -10.369 1.00 0.00 N ATOM 944 CA GLY A 64 -2.623 10.974 -11.192 1.00 0.00 C ATOM 945 C GLY A 64 -3.678 11.263 -12.261 1.00 0.00 C ATOM 946 O GLY A 64 -4.716 11.864 -11.973 1.00 0.00 O ATOM 0 H GLY A 64 -2.806 8.912 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.516 11.848 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.659 10.814 -11.675 1.00 0.00 H new ATOM 950 N LYS A 65 -3.422 10.829 -13.495 1.00 0.00 N ATOM 951 CA LYS A 65 -4.361 11.046 -14.607 1.00 0.00 C ATOM 952 C LYS A 65 -5.506 10.020 -14.574 1.00 0.00 C ATOM 953 O LYS A 65 -5.519 9.072 -15.362 1.00 0.00 O ATOM 954 CB LYS A 65 -3.625 10.951 -15.953 1.00 0.00 C ATOM 955 CG LYS A 65 -2.474 11.938 -16.110 1.00 0.00 C ATOM 956 CD LYS A 65 -1.721 11.724 -17.422 1.00 0.00 C ATOM 957 CE LYS A 65 -2.620 11.927 -18.638 1.00 0.00 C ATOM 958 NZ LYS A 65 -1.893 11.683 -19.910 1.00 0.00 N ATOM 0 H LYS A 65 -2.574 10.325 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.785 12.044 -14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.239 9.939 -16.072 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.341 11.115 -16.758 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.861 12.957 -16.074 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.785 11.829 -15.273 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.880 12.415 -17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.307 10.716 -17.442 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.475 11.254 -18.574 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.013 12.944 -18.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.538 11.831 -20.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.092 12.342 -19.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.540 10.705 -19.926 1.00 0.00 H new ATOM 972 N SER A 66 -6.455 10.209 -13.652 1.00 0.00 N ATOM 973 CA SER A 66 -7.557 9.249 -13.445 1.00 0.00 C ATOM 974 C SER A 66 -7.010 7.863 -13.061 1.00 0.00 C ATOM 975 O SER A 66 -7.003 7.505 -11.889 1.00 0.00 O ATOM 976 CB SER A 66 -8.456 9.145 -14.691 1.00 0.00 C ATOM 977 OG SER A 66 -9.044 10.399 -15.011 1.00 0.00 O ATOM 0 H SER A 66 -6.487 11.019 -13.033 1.00 0.00 H new ATOM 0 HA SER A 66 -8.166 9.623 -12.622 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.868 8.790 -15.537 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.240 8.408 -14.516 1.00 0.00 H new ATOM 0 HG SER A 66 -9.608 10.302 -15.807 1.00 0.00 H new ATOM 983 N ALA A 67 -6.540 7.106 -14.060 1.00 0.00 N ATOM 984 CA ALA A 67 -5.849 5.820 -13.845 1.00 0.00 C ATOM 985 C ALA A 67 -6.736 4.726 -13.211 1.00 0.00 C ATOM 986 O ALA A 67 -7.377 4.930 -12.182 1.00 0.00 O ATOM 987 CB ALA A 67 -4.592 6.033 -13.002 1.00 0.00 C ATOM 0 H ALA A 67 -6.626 7.365 -15.043 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.582 5.453 -14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.090 5.078 -12.850 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.919 6.718 -13.518 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.869 6.456 -12.036 1.00 0.00 H new ATOM 993 N ARG A 68 -6.748 3.547 -13.832 1.00 0.00 N ATOM 994 CA ARG A 68 -7.427 2.374 -13.255 1.00 0.00 C ATOM 995 C ARG A 68 -6.542 1.676 -12.210 1.00 0.00 C ATOM 996 O ARG A 68 -7.034 0.951 -11.346 1.00 0.00 O ATOM 997 CB ARG A 68 -7.817 1.376 -14.357 1.00 0.00 C ATOM 998 CG ARG A 68 -6.677 1.003 -15.303 1.00 0.00 C ATOM 999 CD ARG A 68 -7.057 -0.164 -16.215 1.00 0.00 C ATOM 1000 NE ARG A 68 -7.039 -1.447 -15.507 1.00 0.00 N ATOM 1001 CZ ARG A 68 -8.099 -2.157 -15.219 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -9.285 -1.752 -15.538 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -7.966 -3.286 -14.614 1.00 0.00 N ATOM 0 H ARG A 68 -6.299 3.373 -14.731 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.331 2.729 -12.760 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.197 0.468 -13.890 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.634 1.800 -14.941 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.411 1.868 -15.911 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.794 0.738 -14.722 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.051 0.008 -16.627 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.366 -0.205 -17.057 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.132 -1.814 -15.217 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.407 -0.863 -16.024 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.098 -2.321 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.037 -3.623 -14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.790 -3.843 -14.387 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.235 1.906 -12.299 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.259 1.291 -11.389 1.00 0.00 C ATOM 1019 C VAL A 69 -3.214 2.318 -10.923 1.00 0.00 C ATOM 1020 O VAL A 69 -2.919 3.279 -11.635 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.527 0.099 -12.066 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.503 -1.026 -12.415 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.762 0.560 -13.310 1.00 0.00 C ATOM 0 H VAL A 69 -4.819 2.520 -12.999 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.817 0.925 -10.527 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.806 -0.295 -11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.960 -1.845 -12.887 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.984 -1.386 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.261 -0.650 -13.102 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.259 -0.293 -13.765 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.460 0.994 -14.026 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.022 1.308 -13.026 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.660 2.114 -9.729 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.603 2.991 -9.206 1.00 0.00 C ATOM 1035 C ILE A 70 -0.221 2.358 -9.409 1.00 0.00 C ATOM 1036 O ILE A 70 -0.110 1.149 -9.622 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.801 3.303 -7.697 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.715 2.016 -6.855 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.133 4.015 -7.471 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.818 2.251 -5.361 1.00 0.00 C ATOM 0 H ILE A 70 -2.922 1.352 -9.104 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.666 3.925 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.999 3.967 -7.375 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.512 1.339 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.771 1.515 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.257 4.227 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.145 4.950 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.949 3.377 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.749 1.298 -4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.006 2.902 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.774 2.723 -5.132 1.00 0.00 H new ATOM 1052 N ASN A 71 0.831 3.171 -9.341 1.00 0.00 N ATOM 1053 CA ASN A 71 2.199 2.663 -9.497 1.00 0.00 C ATOM 1054 C ASN A 71 2.981 2.732 -8.172 1.00 0.00 C ATOM 1055 O ASN A 71 2.560 3.387 -7.219 1.00 0.00 O ATOM 1056 CB ASN A 71 2.940 3.433 -10.604 1.00 0.00 C ATOM 1057 CG ASN A 71 3.306 4.854 -10.211 1.00 0.00 C ATOM 1058 OD1 ASN A 71 4.385 5.110 -9.693 1.00 0.00 O ATOM 1059 ND2 ASN A 71 2.413 5.789 -10.444 1.00 0.00 N ATOM 0 H ASN A 71 0.768 4.176 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 71 2.132 1.615 -9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.849 2.891 -10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.316 3.461 -11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.611 6.757 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.522 5.547 -10.877 1.00 0.00 H new ATOM 1066 N TYR A 72 4.125 2.055 -8.140 1.00 0.00 N ATOM 1067 CA TYR A 72 4.984 1.966 -6.945 1.00 0.00 C ATOM 1068 C TYR A 72 5.224 3.332 -6.243 1.00 0.00 C ATOM 1069 O TYR A 72 5.274 3.402 -5.009 1.00 0.00 O ATOM 1070 CB TYR A 72 6.312 1.301 -7.352 1.00 0.00 C ATOM 1071 CG TYR A 72 7.439 1.427 -6.344 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.299 0.980 -5.031 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.647 2.003 -6.715 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.338 1.109 -4.123 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.680 2.136 -5.816 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.526 1.690 -4.525 1.00 0.00 C ATOM 1077 OH TYR A 72 10.562 1.851 -3.633 1.00 0.00 O ATOM 0 H TYR A 72 4.492 1.546 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 72 4.466 1.361 -6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.128 0.242 -7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.642 1.735 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.370 0.528 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.778 2.353 -7.728 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.220 0.758 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.610 2.590 -6.124 1.00 0.00 H new ATOM 0 HH TYR A 72 11.321 2.275 -4.086 1.00 0.00 H new ATOM 1087 N GLU A 73 5.354 4.414 -7.010 1.00 0.00 N ATOM 1088 CA GLU A 73 5.608 5.743 -6.422 1.00 0.00 C ATOM 1089 C GLU A 73 4.358 6.318 -5.734 1.00 0.00 C ATOM 1090 O GLU A 73 4.455 6.982 -4.700 1.00 0.00 O ATOM 1091 CB GLU A 73 6.129 6.710 -7.496 1.00 0.00 C ATOM 1092 CG GLU A 73 7.436 6.255 -8.139 1.00 0.00 C ATOM 1093 CD GLU A 73 8.572 6.115 -7.132 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.596 5.116 -6.386 1.00 0.00 O ATOM 1095 OE2 GLU A 73 9.450 7.003 -7.082 1.00 0.00 O ATOM 0 H GLU A 73 5.290 4.405 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 73 6.371 5.622 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.371 6.822 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.276 7.693 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.277 5.298 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.725 6.970 -8.909 1.00 0.00 H new ATOM 1102 N GLU A 74 3.187 6.068 -6.311 1.00 0.00 N ATOM 1103 CA GLU A 74 1.915 6.455 -5.682 1.00 0.00 C ATOM 1104 C GLU A 74 1.626 5.544 -4.477 1.00 0.00 C ATOM 1105 O GLU A 74 0.997 5.954 -3.499 1.00 0.00 O ATOM 1106 CB GLU A 74 0.773 6.371 -6.710 1.00 0.00 C ATOM 1107 CG GLU A 74 0.993 7.259 -7.935 1.00 0.00 C ATOM 1108 CD GLU A 74 -0.027 7.025 -9.045 1.00 0.00 C ATOM 1109 OE1 GLU A 74 -0.123 5.880 -9.534 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.713 7.986 -9.455 1.00 0.00 O ATOM 0 H GLU A 74 3.085 5.600 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 74 1.989 7.484 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.662 5.337 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.162 6.655 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.952 8.304 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.994 7.081 -8.328 1.00 0.00 H new ATOM 1117 N PHE A 75 2.115 4.308 -4.568 1.00 0.00 N ATOM 1118 CA PHE A 75 1.998 3.320 -3.488 1.00 0.00 C ATOM 1119 C PHE A 75 2.650 3.823 -2.187 1.00 0.00 C ATOM 1120 O PHE A 75 2.078 3.680 -1.104 1.00 0.00 O ATOM 1121 CB PHE A 75 2.642 2.002 -3.945 1.00 0.00 C ATOM 1122 CG PHE A 75 2.586 0.882 -2.935 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.375 0.292 -2.598 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.745 0.412 -2.332 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.324 -0.741 -1.683 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.698 -0.623 -1.419 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.487 -1.200 -1.094 1.00 0.00 C ATOM 0 H PHE A 75 2.605 3.960 -5.392 1.00 0.00 H new ATOM 0 HA PHE A 75 0.942 3.158 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.149 1.672 -4.859 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.685 2.193 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.463 0.645 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.695 0.861 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.376 -1.190 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.608 -0.981 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.448 -2.009 -0.380 1.00 0.00 H new ATOM 1137 N LYS A 76 3.849 4.410 -2.299 1.00 0.00 N ATOM 1138 CA LYS A 76 4.518 5.034 -1.145 1.00 0.00 C ATOM 1139 C LYS A 76 3.561 5.951 -0.363 1.00 0.00 C ATOM 1140 O LYS A 76 3.281 5.724 0.815 1.00 0.00 O ATOM 1141 CB LYS A 76 5.730 5.867 -1.596 1.00 0.00 C ATOM 1142 CG LYS A 76 6.915 5.058 -2.117 1.00 0.00 C ATOM 1143 CD LYS A 76 8.140 5.955 -2.316 1.00 0.00 C ATOM 1144 CE LYS A 76 9.397 5.157 -2.633 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.393 4.613 -4.013 1.00 0.00 N ATOM 0 H LYS A 76 4.375 4.467 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 76 4.846 4.221 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.408 6.555 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.066 6.475 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.153 4.260 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.650 4.582 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.945 6.658 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.305 6.545 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.271 5.795 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.491 4.336 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.332 4.745 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.164 3.599 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.680 5.114 -4.581 1.00 0.00 H new ATOM 1159 N LYS A 77 3.058 6.978 -1.041 1.00 0.00 N ATOM 1160 CA LYS A 77 2.196 7.984 -0.413 1.00 0.00 C ATOM 1161 C LYS A 77 0.862 7.391 0.068 1.00 0.00 C ATOM 1162 O LYS A 77 0.275 7.871 1.038 1.00 0.00 O ATOM 1163 CB LYS A 77 1.970 9.148 -1.387 1.00 0.00 C ATOM 1164 CG LYS A 77 3.251 9.925 -1.689 1.00 0.00 C ATOM 1165 CD LYS A 77 3.021 11.086 -2.654 1.00 0.00 C ATOM 1166 CE LYS A 77 4.310 11.865 -2.899 1.00 0.00 C ATOM 1167 NZ LYS A 77 4.126 12.964 -3.885 1.00 0.00 N ATOM 0 H LYS A 77 3.232 7.139 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 77 2.703 8.356 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.557 8.761 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.228 9.828 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.667 10.309 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.991 9.247 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.638 10.705 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.261 11.754 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.665 12.281 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.081 11.183 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.028 13.465 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.812 12.566 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.409 13.630 -3.533 1.00 0.00 H new ATOM 1181 N ALA A 78 0.390 6.346 -0.608 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.803 5.618 -0.163 1.00 0.00 C ATOM 1183 C ALA A 78 -0.584 5.000 1.230 1.00 0.00 C ATOM 1184 O ALA A 78 -1.399 5.173 2.144 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.175 4.539 -1.177 1.00 0.00 C ATOM 0 H ALA A 78 0.811 5.983 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.628 6.327 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.062 4.007 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.381 5.002 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.348 3.836 -1.281 1.00 0.00 H new ATOM 1191 N LEU A 79 0.535 4.292 1.389 1.00 0.00 N ATOM 1192 CA LEU A 79 0.913 3.716 2.685 1.00 0.00 C ATOM 1193 C LEU A 79 1.189 4.806 3.724 1.00 0.00 C ATOM 1194 O LEU A 79 0.790 4.687 4.880 1.00 0.00 O ATOM 1195 CB LEU A 79 2.158 2.831 2.543 1.00 0.00 C ATOM 1196 CG LEU A 79 1.954 1.519 1.776 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.259 0.728 1.729 1.00 0.00 C ATOM 1198 CD2 LEU A 79 0.836 0.699 2.416 1.00 0.00 C ATOM 0 H LEU A 79 1.198 4.102 0.637 1.00 0.00 H new ATOM 0 HA LEU A 79 0.072 3.112 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.936 3.407 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.529 2.594 3.540 1.00 0.00 H new ATOM 0 HG LEU A 79 1.659 1.749 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.102 -0.202 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.025 1.319 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.583 0.501 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.702 -0.230 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.098 0.470 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.092 1.271 2.396 1.00 0.00 H new ATOM 1210 N GLU A 80 1.875 5.866 3.304 1.00 0.00 N ATOM 1211 CA GLU A 80 2.225 6.964 4.209 1.00 0.00 C ATOM 1212 C GLU A 80 0.969 7.628 4.805 1.00 0.00 C ATOM 1213 O GLU A 80 0.935 7.949 5.994 1.00 0.00 O ATOM 1214 CB GLU A 80 3.093 8.001 3.479 1.00 0.00 C ATOM 1215 CG GLU A 80 3.635 9.098 4.389 1.00 0.00 C ATOM 1216 CD GLU A 80 4.675 9.968 3.701 1.00 0.00 C ATOM 1217 OE1 GLU A 80 5.850 9.548 3.619 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.334 11.081 3.257 1.00 0.00 O ATOM 0 H GLU A 80 2.200 5.990 2.345 1.00 0.00 H new ATOM 0 HA GLU A 80 2.799 6.546 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.930 7.490 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.505 8.459 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.810 9.724 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.076 8.644 5.276 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.065 7.813 3.982 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.334 8.385 4.450 1.00 0.00 C ATOM 1227 C GLU A 81 -1.973 7.472 5.515 1.00 0.00 C ATOM 1228 O GLU A 81 -2.189 7.888 6.661 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.296 8.583 3.260 1.00 0.00 C ATOM 1230 CG GLU A 81 -3.427 9.589 3.502 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.385 9.182 4.615 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -5.071 8.149 4.468 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.461 9.893 5.641 1.00 0.00 O ATOM 0 H GLU A 81 -0.051 7.576 2.990 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.136 9.356 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.718 8.910 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.736 7.619 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.992 10.558 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.991 9.716 2.578 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.253 6.221 5.143 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.826 5.247 6.084 1.00 0.00 C ATOM 1242 C LEU A 82 -1.934 5.073 7.323 1.00 0.00 C ATOM 1243 O LEU A 82 -2.418 4.768 8.416 1.00 0.00 O ATOM 1244 CB LEU A 82 -3.041 3.892 5.394 1.00 0.00 C ATOM 1245 CG LEU A 82 -4.078 3.887 4.256 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -4.183 2.500 3.626 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -5.441 4.351 4.769 1.00 0.00 C ATOM 0 H LEU A 82 -2.095 5.857 4.203 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.790 5.634 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.086 3.552 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.349 3.165 6.146 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.745 4.585 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.921 2.519 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.214 2.211 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.489 1.778 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.161 4.341 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.780 3.680 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.356 5.363 5.164 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.629 5.266 7.142 1.00 0.00 N ATOM 1260 CA ALA A 83 0.321 5.245 8.255 1.00 0.00 C ATOM 1261 C ALA A 83 0.016 6.348 9.282 1.00 0.00 C ATOM 1262 O ALA A 83 0.120 6.121 10.485 1.00 0.00 O ATOM 1263 CB ALA A 83 1.750 5.381 7.739 1.00 0.00 C ATOM 0 H ALA A 83 -0.203 5.439 6.232 1.00 0.00 H new ATOM 0 HA ALA A 83 0.216 4.284 8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.444 5.364 8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.974 4.553 7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.855 6.324 7.202 1.00 0.00 H new ATOM 1269 N THR A 84 -0.370 7.537 8.806 1.00 0.00 N ATOM 1270 CA THR A 84 -0.723 8.650 9.709 1.00 0.00 C ATOM 1271 C THR A 84 -2.024 8.352 10.466 1.00 0.00 C ATOM 1272 O THR A 84 -2.199 8.761 11.615 1.00 0.00 O ATOM 1273 CB THR A 84 -0.897 10.000 8.962 1.00 0.00 C ATOM 1274 OG1 THR A 84 -2.176 10.050 8.303 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.214 10.222 7.940 1.00 0.00 C ATOM 0 H THR A 84 -0.447 7.757 7.813 1.00 0.00 H new ATOM 0 HA THR A 84 0.112 8.741 10.404 1.00 0.00 H new ATOM 0 HB THR A 84 -0.841 10.794 9.707 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.237 9.321 7.651 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.060 11.176 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.179 10.231 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.198 9.417 7.205 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.950 7.659 9.799 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.201 7.220 10.437 1.00 0.00 C ATOM 1285 C LYS A 85 -3.951 6.119 11.482 1.00 0.00 C ATOM 1286 O LYS A 85 -4.626 6.060 12.514 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.199 6.706 9.387 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.836 7.794 8.526 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.904 7.216 7.596 1.00 0.00 C ATOM 1290 CE LYS A 85 -7.744 8.305 6.939 1.00 0.00 C ATOM 1291 NZ LYS A 85 -6.945 9.167 6.029 1.00 0.00 N ATOM 0 H LYS A 85 -2.861 7.389 8.820 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.621 8.089 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.687 5.999 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.990 6.155 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.283 8.553 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.066 8.290 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.424 6.614 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.554 6.549 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.557 7.844 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.201 8.923 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.514 9.988 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.090 9.494 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.671 8.622 5.187 1.00 0.00 H new ATOM 1305 N ARG A 86 -2.996 5.236 11.202 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.700 4.109 12.095 1.00 0.00 C ATOM 1307 C ARG A 86 -1.717 4.514 13.207 1.00 0.00 C ATOM 1308 O ARG A 86 -2.040 4.467 14.399 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.113 2.936 11.288 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.530 1.562 11.809 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.977 1.251 11.440 1.00 0.00 C ATOM 1312 NE ARG A 86 -4.488 0.049 12.092 1.00 0.00 N ATOM 1313 CZ ARG A 86 -4.156 -1.173 11.776 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.218 -1.409 10.920 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -4.766 -2.166 12.336 1.00 0.00 N ATOM 0 H ARG A 86 -2.412 5.275 10.366 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.635 3.801 12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.425 3.030 10.248 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.025 3.005 11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.873 0.798 11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.413 1.529 12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.605 2.099 11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.052 1.131 10.359 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.156 0.174 12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.723 -0.634 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.972 -2.371 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.502 -1.992 13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.511 -3.123 12.093 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.513 4.908 12.804 1.00 0.00 N ATOM 1330 CA PHE A 87 0.555 5.260 13.743 1.00 0.00 C ATOM 1331 C PHE A 87 0.622 6.778 13.972 1.00 0.00 C ATOM 1332 O PHE A 87 1.282 7.507 13.232 1.00 0.00 O ATOM 1333 CB PHE A 87 1.902 4.743 13.222 1.00 0.00 C ATOM 1334 CG PHE A 87 1.882 3.273 12.870 1.00 0.00 C ATOM 1335 CD1 PHE A 87 2.002 2.307 13.860 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.732 2.860 11.552 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.975 0.962 13.541 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.705 1.516 11.231 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.826 0.566 12.226 1.00 0.00 C ATOM 0 H PHE A 87 -0.248 4.993 11.823 1.00 0.00 H new ATOM 0 HA PHE A 87 0.333 4.788 14.700 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.187 5.317 12.340 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.668 4.918 13.978 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.118 2.609 14.890 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.635 3.598 10.769 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.070 0.220 14.320 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.589 1.209 10.202 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.804 -0.485 11.977 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.061 7.243 15.011 1.00 0.00 N ATOM 1350 CA LYS A 88 -0.099 8.671 15.347 1.00 0.00 C ATOM 1351 C LYS A 88 1.019 9.024 16.353 1.00 0.00 C ATOM 1352 O LYS A 88 0.908 9.979 17.121 1.00 0.00 O ATOM 1353 CB LYS A 88 -1.488 9.009 15.925 1.00 0.00 C ATOM 1354 CG LYS A 88 -1.792 10.504 16.038 1.00 0.00 C ATOM 1355 CD LYS A 88 -1.784 11.195 14.676 1.00 0.00 C ATOM 1356 CE LYS A 88 -2.212 12.656 14.782 1.00 0.00 C ATOM 1357 NZ LYS A 88 -1.312 13.446 15.665 1.00 0.00 N ATOM 0 H LYS A 88 -0.601 6.652 15.642 1.00 0.00 H new ATOM 0 HA LYS A 88 0.072 9.263 14.448 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.249 8.545 15.298 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.573 8.560 16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.766 10.641 16.508 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.055 10.976 16.688 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.784 11.139 14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.454 10.668 13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.224 13.102 13.787 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.231 12.707 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.570 14.452 15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.409 13.114 16.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.327 13.325 15.354 1.00 0.00 H new ATOM 1371 N GLY A 89 2.111 8.256 16.309 1.00 0.00 N ATOM 1372 CA GLY A 89 3.200 8.412 17.271 1.00 0.00 C ATOM 1373 C GLY A 89 3.847 9.797 17.257 1.00 0.00 C ATOM 1374 O GLY A 89 3.568 10.627 18.127 1.00 0.00 O ATOM 0 H GLY A 89 2.262 7.521 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.819 8.210 18.272 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.964 7.663 17.064 1.00 0.00 H new ATOM 1378 N LYS A 90 4.718 10.045 16.280 1.00 0.00 N ATOM 1379 CA LYS A 90 5.434 11.328 16.196 1.00 0.00 C ATOM 1380 C LYS A 90 6.050 11.573 14.801 1.00 0.00 C ATOM 1381 O LYS A 90 5.700 12.543 14.123 1.00 0.00 O ATOM 1382 CB LYS A 90 6.522 11.410 17.291 1.00 0.00 C ATOM 1383 CG LYS A 90 7.300 10.110 17.499 1.00 0.00 C ATOM 1384 CD LYS A 90 8.405 10.258 18.541 1.00 0.00 C ATOM 1385 CE LYS A 90 9.040 8.911 18.883 1.00 0.00 C ATOM 1386 NZ LYS A 90 9.458 8.162 17.670 1.00 0.00 N ATOM 0 H LYS A 90 4.947 9.383 15.538 1.00 0.00 H new ATOM 0 HA LYS A 90 4.699 12.116 16.360 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.224 12.203 17.032 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.053 11.695 18.233 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.613 9.323 17.810 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.737 9.795 16.551 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.171 10.937 18.166 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.995 10.708 19.445 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.906 9.072 19.524 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.330 8.311 19.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.789 7.215 17.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.650 8.072 17.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.228 8.674 17.194 1.00 0.00 H new ATOM 1400 N SER A 91 6.953 10.693 14.372 1.00 0.00 N ATOM 1401 CA SER A 91 7.704 10.886 13.135 1.00 0.00 C ATOM 1402 C SER A 91 7.000 10.245 11.931 1.00 0.00 C ATOM 1403 O SER A 91 6.572 9.090 11.992 1.00 0.00 O ATOM 1404 CB SER A 91 9.098 10.276 13.300 1.00 0.00 C ATOM 1405 OG SER A 91 9.812 10.890 14.362 1.00 0.00 O ATOM 0 H SER A 91 7.183 9.832 14.869 1.00 0.00 H new ATOM 0 HA SER A 91 7.774 11.957 12.942 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.008 9.207 13.491 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.658 10.388 12.371 1.00 0.00 H new ATOM 0 HG SER A 91 10.697 10.477 14.443 1.00 0.00 H new ATOM 1411 N LYS A 92 6.896 10.995 10.833 1.00 0.00 N ATOM 1412 CA LYS A 92 6.305 10.479 9.593 1.00 0.00 C ATOM 1413 C LYS A 92 7.165 9.340 9.012 1.00 0.00 C ATOM 1414 O LYS A 92 6.645 8.385 8.425 1.00 0.00 O ATOM 1415 CB LYS A 92 6.146 11.612 8.562 1.00 0.00 C ATOM 1416 CG LYS A 92 5.334 11.215 7.331 1.00 0.00 C ATOM 1417 CD LYS A 92 5.111 12.389 6.377 1.00 0.00 C ATOM 1418 CE LYS A 92 6.405 12.848 5.711 1.00 0.00 C ATOM 1419 NZ LYS A 92 7.010 11.781 4.864 1.00 0.00 N ATOM 0 H LYS A 92 7.213 11.963 10.775 1.00 0.00 H new ATOM 0 HA LYS A 92 5.318 10.078 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.666 12.464 9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.135 11.942 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.849 10.413 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.369 10.819 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.393 12.099 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.672 13.222 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.205 13.727 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.119 13.150 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.027 11.708 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.549 10.872 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.877 12.018 3.860 1.00 0.00 H new ATOM 1433 N GLU A 93 8.487 9.456 9.175 1.00 0.00 N ATOM 1434 CA GLU A 93 9.416 8.368 8.832 1.00 0.00 C ATOM 1435 C GLU A 93 9.055 7.091 9.602 1.00 0.00 C ATOM 1436 O GLU A 93 8.880 6.025 9.020 1.00 0.00 O ATOM 1437 CB GLU A 93 10.864 8.774 9.163 1.00 0.00 C ATOM 1438 CG GLU A 93 11.892 7.663 8.933 1.00 0.00 C ATOM 1439 CD GLU A 93 13.284 8.029 9.424 1.00 0.00 C ATOM 1440 OE1 GLU A 93 13.539 7.917 10.645 1.00 0.00 O ATOM 1441 OE2 GLU A 93 14.134 8.422 8.597 1.00 0.00 O ATOM 0 H GLU A 93 8.941 10.292 9.543 1.00 0.00 H new ATOM 0 HA GLU A 93 9.333 8.176 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.136 9.637 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.913 9.089 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.560 6.758 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.937 7.432 7.869 1.00 0.00 H new ATOM 1448 N GLU A 94 8.947 7.231 10.922 1.00 0.00 N ATOM 1449 CA GLU A 94 8.562 6.131 11.821 1.00 0.00 C ATOM 1450 C GLU A 94 7.216 5.496 11.424 1.00 0.00 C ATOM 1451 O GLU A 94 7.085 4.271 11.374 1.00 0.00 O ATOM 1452 CB GLU A 94 8.498 6.665 13.258 1.00 0.00 C ATOM 1453 CG GLU A 94 7.924 5.692 14.278 1.00 0.00 C ATOM 1454 CD GLU A 94 7.979 6.248 15.692 1.00 0.00 C ATOM 1455 OE1 GLU A 94 7.310 7.268 15.965 1.00 0.00 O ATOM 1456 OE2 GLU A 94 8.721 5.692 16.530 1.00 0.00 O ATOM 0 H GLU A 94 9.124 8.112 11.405 1.00 0.00 H new ATOM 0 HA GLU A 94 9.314 5.346 11.743 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.504 6.946 13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.896 7.574 13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.890 5.463 14.019 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.478 4.754 14.236 1.00 0.00 H new ATOM 1463 N ALA A 95 6.217 6.333 11.146 1.00 0.00 N ATOM 1464 CA ALA A 95 4.898 5.851 10.713 1.00 0.00 C ATOM 1465 C ALA A 95 5.005 5.009 9.430 1.00 0.00 C ATOM 1466 O ALA A 95 4.465 3.901 9.350 1.00 0.00 O ATOM 1467 CB ALA A 95 3.947 7.026 10.501 1.00 0.00 C ATOM 0 H ALA A 95 6.292 7.348 11.212 1.00 0.00 H new ATOM 0 HA ALA A 95 4.499 5.212 11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.974 6.653 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.835 7.577 11.435 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.352 7.688 9.736 1.00 0.00 H new ATOM 1473 N PHE A 96 5.716 5.540 8.433 1.00 0.00 N ATOM 1474 CA PHE A 96 5.926 4.834 7.163 1.00 0.00 C ATOM 1475 C PHE A 96 6.770 3.561 7.371 1.00 0.00 C ATOM 1476 O PHE A 96 6.542 2.537 6.727 1.00 0.00 O ATOM 1477 CB PHE A 96 6.602 5.772 6.150 1.00 0.00 C ATOM 1478 CG PHE A 96 6.718 5.195 4.760 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.599 5.079 3.947 1.00 0.00 C ATOM 1480 CD2 PHE A 96 7.945 4.771 4.264 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.698 4.554 2.674 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.048 4.245 2.990 1.00 0.00 C ATOM 1483 CZ PHE A 96 6.923 4.137 2.193 1.00 0.00 C ATOM 0 H PHE A 96 6.158 6.458 8.479 1.00 0.00 H new ATOM 0 HA PHE A 96 4.956 4.529 6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.037 6.703 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.599 6.023 6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.637 5.404 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.828 4.853 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.817 4.470 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.007 3.918 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.003 3.727 1.197 1.00 0.00 H new ATOM 1493 N ASP A 97 7.739 3.644 8.279 1.00 0.00 N ATOM 1494 CA ASP A 97 8.588 2.504 8.644 1.00 0.00 C ATOM 1495 C ASP A 97 7.739 1.321 9.134 1.00 0.00 C ATOM 1496 O ASP A 97 7.726 0.246 8.530 1.00 0.00 O ATOM 1497 CB ASP A 97 9.554 2.941 9.753 1.00 0.00 C ATOM 1498 CG ASP A 97 10.499 1.839 10.203 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.543 1.643 9.548 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.218 1.192 11.235 1.00 0.00 O ATOM 0 H ASP A 97 7.961 4.502 8.785 1.00 0.00 H new ATOM 0 HA ASP A 97 9.144 2.180 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.140 3.789 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.977 3.287 10.611 1.00 0.00 H new ATOM 1505 N ALA A 98 7.024 1.554 10.230 1.00 0.00 N ATOM 1506 CA ALA A 98 6.188 0.540 10.866 1.00 0.00 C ATOM 1507 C ALA A 98 5.193 -0.106 9.886 1.00 0.00 C ATOM 1508 O ALA A 98 5.062 -1.333 9.844 1.00 0.00 O ATOM 1509 CB ALA A 98 5.457 1.167 12.046 1.00 0.00 C ATOM 0 H ALA A 98 7.008 2.456 10.705 1.00 0.00 H new ATOM 0 HA ALA A 98 6.837 -0.264 11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.830 0.416 12.527 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.184 1.547 12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.833 1.988 11.693 1.00 0.00 H new ATOM 1515 N ILE A 99 4.494 0.709 9.092 1.00 0.00 N ATOM 1516 CA ILE A 99 3.512 0.174 8.140 1.00 0.00 C ATOM 1517 C ILE A 99 4.198 -0.649 7.035 1.00 0.00 C ATOM 1518 O ILE A 99 3.688 -1.692 6.624 1.00 0.00 O ATOM 1519 CB ILE A 99 2.633 1.291 7.509 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.479 0.674 6.698 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.466 2.221 6.631 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.503 1.691 6.143 1.00 0.00 C ATOM 0 H ILE A 99 4.585 1.725 9.086 1.00 0.00 H new ATOM 0 HA ILE A 99 2.854 -0.482 8.710 1.00 0.00 H new ATOM 0 HB ILE A 99 2.212 1.885 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.896 0.098 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.936 -0.026 7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.823 2.991 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.244 2.690 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.927 1.647 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.280 1.177 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.055 2.251 6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.030 2.377 5.480 1.00 0.00 H new ATOM 1534 N CYS A 100 5.367 -0.195 6.572 1.00 0.00 N ATOM 1535 CA CYS A 100 6.143 -0.947 5.576 1.00 0.00 C ATOM 1536 C CYS A 100 6.618 -2.290 6.147 1.00 0.00 C ATOM 1537 O CYS A 100 6.667 -3.296 5.436 1.00 0.00 O ATOM 1538 CB CYS A 100 7.344 -0.131 5.082 1.00 0.00 C ATOM 1539 SG CYS A 100 6.897 1.284 4.053 1.00 0.00 S ATOM 0 H CYS A 100 5.796 0.682 6.867 1.00 0.00 H new ATOM 0 HA CYS A 100 5.486 -1.143 4.729 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.909 0.224 5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.006 -0.785 4.515 1.00 0.00 H new ATOM 0 HG CYS A 100 6.552 2.281 4.812 1.00 0.00 H new ATOM 1545 N GLN A 101 6.959 -2.303 7.435 1.00 0.00 N ATOM 1546 CA GLN A 101 7.347 -3.541 8.122 1.00 0.00 C ATOM 1547 C GLN A 101 6.179 -4.539 8.165 1.00 0.00 C ATOM 1548 O GLN A 101 6.381 -5.754 8.127 1.00 0.00 O ATOM 1549 CB GLN A 101 7.835 -3.236 9.548 1.00 0.00 C ATOM 1550 CG GLN A 101 9.092 -2.370 9.599 1.00 0.00 C ATOM 1551 CD GLN A 101 9.650 -2.231 11.007 1.00 0.00 C ATOM 1552 OE1 GLN A 101 8.919 -2.310 11.992 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.945 -2.007 11.117 1.00 0.00 N ATOM 0 H GLN A 101 6.975 -1.472 8.026 1.00 0.00 H new ATOM 0 HA GLN A 101 8.163 -3.994 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.037 -2.734 10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.032 -4.176 10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.854 -2.804 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.863 -1.380 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.525 -1.947 10.280 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.367 -1.894 12.039 1.00 0.00 H new ATOM 1562 N LEU A 102 4.955 -4.014 8.233 1.00 0.00 N ATOM 1563 CA LEU A 102 3.747 -4.853 8.218 1.00 0.00 C ATOM 1564 C LEU A 102 3.407 -5.346 6.799 1.00 0.00 C ATOM 1565 O LEU A 102 2.534 -6.192 6.627 1.00 0.00 O ATOM 1566 CB LEU A 102 2.549 -4.079 8.793 1.00 0.00 C ATOM 1567 CG LEU A 102 2.681 -3.643 10.261 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.430 -2.890 10.711 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.949 -4.847 11.167 1.00 0.00 C ATOM 0 H LEU A 102 4.770 -3.013 8.299 1.00 0.00 H new ATOM 0 HA LEU A 102 3.953 -5.725 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.387 -3.191 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.658 -4.700 8.696 1.00 0.00 H new ATOM 0 HG LEU A 102 3.533 -2.968 10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.541 -2.589 11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.295 -2.004 10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.560 -3.539 10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.038 -4.512 12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.124 -5.555 11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.876 -5.333 10.862 1.00 0.00 H new ATOM 1581 N VAL A 103 4.090 -4.814 5.785 1.00 0.00 N ATOM 1582 CA VAL A 103 3.805 -5.172 4.387 1.00 0.00 C ATOM 1583 C VAL A 103 4.914 -6.036 3.759 1.00 0.00 C ATOM 1584 O VAL A 103 4.624 -7.026 3.084 1.00 0.00 O ATOM 1585 CB VAL A 103 3.611 -3.904 3.512 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.328 -4.279 2.056 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.490 -3.022 4.069 1.00 0.00 C ATOM 0 H VAL A 103 4.843 -4.136 5.900 1.00 0.00 H new ATOM 0 HA VAL A 103 2.884 -5.754 4.412 1.00 0.00 H new ATOM 0 HB VAL A 103 4.540 -3.334 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.196 -3.372 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.166 -4.852 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.420 -4.880 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.374 -2.140 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.557 -3.585 4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.741 -2.712 5.084 1.00 0.00 H new ATOM 1597 N ALA A 104 6.172 -5.662 4.002 1.00 0.00 N ATOM 1598 CA ALA A 104 7.335 -6.246 3.311 1.00 0.00 C ATOM 1599 C ALA A 104 7.359 -7.791 3.307 1.00 0.00 C ATOM 1600 O ALA A 104 7.935 -8.412 4.200 1.00 0.00 O ATOM 1601 CB ALA A 104 8.625 -5.703 3.921 1.00 0.00 C ATOM 0 H ALA A 104 6.419 -4.945 4.684 1.00 0.00 H new ATOM 0 HA ALA A 104 7.249 -5.947 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.482 -6.138 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.650 -4.619 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.666 -5.964 4.978 1.00 0.00 H new ATOM 1607 N GLY A 105 6.705 -8.386 2.303 1.00 0.00 N ATOM 1608 CA GLY A 105 6.797 -9.827 2.052 1.00 0.00 C ATOM 1609 C GLY A 105 6.602 -10.714 3.284 1.00 0.00 C ATOM 1610 O GLY A 105 7.524 -11.415 3.701 1.00 0.00 O ATOM 0 H GLY A 105 6.103 -7.887 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.050 -10.099 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.774 -10.043 1.619 1.00 0.00 H new ATOM 1614 N LYS A 106 5.403 -10.698 3.863 1.00 0.00 N ATOM 1615 CA LYS A 106 5.108 -11.537 5.035 1.00 0.00 C ATOM 1616 C LYS A 106 4.819 -12.996 4.637 1.00 0.00 C ATOM 1617 O LYS A 106 5.699 -13.857 4.699 1.00 0.00 O ATOM 1618 CB LYS A 106 3.925 -10.964 5.829 1.00 0.00 C ATOM 1619 CG LYS A 106 4.175 -9.568 6.388 1.00 0.00 C ATOM 1620 CD LYS A 106 3.039 -9.116 7.300 1.00 0.00 C ATOM 1621 CE LYS A 106 1.688 -9.164 6.593 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.661 -8.313 5.371 1.00 0.00 N ATOM 0 H LYS A 106 4.623 -10.121 3.548 1.00 0.00 H new ATOM 0 HA LYS A 106 5.997 -11.532 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.047 -10.934 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.692 -11.638 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.113 -9.561 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.286 -8.861 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.009 -9.752 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.232 -8.100 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.459 -10.194 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.909 -8.835 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.817 -8.541 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.633 -7.311 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.514 -8.492 4.804 1.00 0.00 H new ATOM 1636 N GLU A 107 3.580 -13.262 4.225 1.00 0.00 N ATOM 1637 CA GLU A 107 3.157 -14.616 3.824 1.00 0.00 C ATOM 1638 C GLU A 107 2.045 -14.611 2.738 1.00 0.00 C ATOM 1639 O GLU A 107 1.221 -15.531 2.691 1.00 0.00 O ATOM 1640 CB GLU A 107 2.632 -15.348 5.060 1.00 0.00 C ATOM 1641 CG GLU A 107 1.430 -14.657 5.695 1.00 0.00 C ATOM 1642 CD GLU A 107 0.808 -15.464 6.823 1.00 0.00 C ATOM 1643 OE1 GLU A 107 0.006 -16.379 6.533 1.00 0.00 O ATOM 1644 OE2 GLU A 107 1.104 -15.180 8.001 1.00 0.00 O ATOM 0 H GLU A 107 2.844 -12.559 4.158 1.00 0.00 H new ATOM 0 HA GLU A 107 4.026 -15.115 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.355 -16.365 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.431 -15.425 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.738 -13.684 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.677 -14.474 4.929 1.00 0.00 H new ATOM 1651 N PRO A 108 2.021 -13.617 1.823 1.00 0.00 N ATOM 1652 CA PRO A 108 0.918 -13.469 0.862 1.00 0.00 C ATOM 1653 C PRO A 108 0.977 -14.478 -0.296 1.00 0.00 C ATOM 1654 O PRO A 108 2.057 -14.908 -0.705 1.00 0.00 O ATOM 1655 CB PRO A 108 1.106 -12.042 0.350 1.00 0.00 C ATOM 1656 CG PRO A 108 2.573 -11.790 0.450 1.00 0.00 C ATOM 1657 CD PRO A 108 3.064 -12.592 1.624 1.00 0.00 C ATOM 0 HA PRO A 108 -0.051 -13.657 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.757 -11.941 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.541 -11.329 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.082 -12.091 -0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.776 -10.729 0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.034 -13.045 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.184 -11.969 2.510 1.00 0.00 H new ATOM 1665 N ALA A 109 -0.202 -14.843 -0.816 1.00 0.00 N ATOM 1666 CA ALA A 109 -0.336 -15.779 -1.947 1.00 0.00 C ATOM 1667 C ALA A 109 -0.034 -17.241 -1.556 1.00 0.00 C ATOM 1668 O ALA A 109 -0.863 -18.126 -1.785 1.00 0.00 O ATOM 1669 CB ALA A 109 0.536 -15.344 -3.127 1.00 0.00 C ATOM 0 H ALA A 109 -1.095 -14.498 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.382 -15.745 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.418 -16.052 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.231 -14.351 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.581 -15.318 -2.817 1.00 0.00 H new