USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 739 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 109 THR OG1 : rot -88:sc= 0.607 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -18.6! C(o=-18!,f=-21!) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -4.36! C(o=-4.6!,f=-4!) USER MOD Set 2.2: A 72 SER OG : rot 94:sc= -0.225 USER MOD Set 3.1: A 37 THR OG1 : rot 177:sc= 0.642! USER MOD Set 3.2: A 45 GLN : amide:sc= 1.04 K(o=1.7,f=-5!) USER MOD Single : A 7 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.059) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 109:sc= -4.5! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -14! C(o=-14!,f=-14!) USER MOD Single : A 18 GLN : amide:sc= -0.171 K(o=-0.17,f=-4.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -44:sc= 0.528 USER MOD Single : A 55 SER OG : rot 143:sc= -0.303 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.0418 K(o=0.042,f=-2.3!) USER MOD Single : A 65 THR OG1 : rot 82:sc= -3.38! USER MOD Single : A 68 SER OG : rot -91:sc= -3.59! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.74 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.24) USER MOD Single : A 87 MET CE :methyl -118:sc= -6.89! (180deg=-11.1!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 115:sc= -1.39! USER MOD Single : A 96 TYR OH : rot 17:sc= -0.852 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 51:sc= -2.25 USER MOD Single : A 111 SER OG : rot 177:sc= 0.245 USER MOD Single : A 117 LYS NZ :NH3+ -153:sc= -0.112 (180deg=-0.986) USER MOD Single : A 119 THR OG1 : rot 163:sc= 0.994 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.374 6.743 2.989 1.00 0.00 N ATOM 93 CA GLN A 7 16.119 7.029 2.233 1.00 0.00 C ATOM 94 C GLN A 7 15.550 5.743 1.631 1.00 0.00 C ATOM 95 O GLN A 7 16.241 5.007 0.954 1.00 0.00 O ATOM 96 CB GLN A 7 16.538 7.998 1.128 1.00 0.00 C ATOM 97 CG GLN A 7 16.003 9.394 1.448 1.00 0.00 C ATOM 98 CD GLN A 7 17.025 10.146 2.302 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.697 10.657 3.354 1.00 0.00 O ATOM 100 NE2 GLN A 7 18.260 10.233 1.890 1.00 0.00 N ATOM 0 HA GLN A 7 15.341 7.446 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.624 8.023 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.152 7.660 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.810 9.942 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.054 9.319 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.534 9.803 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.951 10.730 2.452 1.00 0.00 H new ATOM 109 N VAL A 8 14.293 5.464 1.863 1.00 0.00 N ATOM 110 CA VAL A 8 13.702 4.218 1.284 1.00 0.00 C ATOM 111 C VAL A 8 12.603 4.560 0.270 1.00 0.00 C ATOM 112 O VAL A 8 11.551 5.052 0.623 1.00 0.00 O ATOM 113 CB VAL A 8 13.124 3.436 2.472 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.419 4.388 3.435 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.112 2.404 1.966 1.00 0.00 C ATOM 0 H VAL A 8 13.657 6.035 2.420 1.00 0.00 H new ATOM 0 HA VAL A 8 14.449 3.632 0.749 1.00 0.00 H new ATOM 0 HB VAL A 8 13.941 2.934 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.013 3.822 4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.132 5.125 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.608 4.898 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.703 1.850 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.304 2.914 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.607 1.712 1.285 1.00 0.00 H new ATOM 125 N LYS A 9 12.837 4.283 -0.987 1.00 0.00 N ATOM 126 CA LYS A 9 11.804 4.571 -2.026 1.00 0.00 C ATOM 127 C LYS A 9 10.830 3.392 -2.118 1.00 0.00 C ATOM 128 O LYS A 9 11.104 2.320 -1.615 1.00 0.00 O ATOM 129 CB LYS A 9 12.575 4.713 -3.337 1.00 0.00 C ATOM 130 CG LYS A 9 13.419 5.986 -3.314 1.00 0.00 C ATOM 131 CD LYS A 9 13.400 6.627 -4.704 1.00 0.00 C ATOM 132 CE LYS A 9 14.064 8.005 -4.645 1.00 0.00 C ATOM 133 NZ LYS A 9 15.082 7.989 -5.731 1.00 0.00 N ATOM 0 H LYS A 9 13.700 3.869 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 9 11.226 5.467 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.217 3.845 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.879 4.744 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.027 6.683 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.443 5.753 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.925 5.990 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.373 6.722 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.335 8.801 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.526 8.179 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.580 8.902 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.766 7.226 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.612 7.828 -6.645 1.00 0.00 H new ATOM 147 N ALA A 10 9.703 3.563 -2.759 1.00 0.00 N ATOM 148 CA ALA A 10 8.746 2.413 -2.866 1.00 0.00 C ATOM 149 C ALA A 10 7.386 2.839 -3.424 1.00 0.00 C ATOM 150 O ALA A 10 6.984 3.981 -3.325 1.00 0.00 O ATOM 151 CB ALA A 10 8.564 1.906 -1.433 1.00 0.00 C ATOM 0 H ALA A 10 9.404 4.430 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 10 9.137 1.657 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.875 1.062 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.528 1.589 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.160 2.706 -0.813 1.00 0.00 H new ATOM 157 N SER A 11 6.662 1.900 -3.977 1.00 0.00 N ATOM 158 CA SER A 11 5.303 2.197 -4.512 1.00 0.00 C ATOM 159 C SER A 11 4.285 1.421 -3.676 1.00 0.00 C ATOM 160 O SER A 11 4.664 0.687 -2.782 1.00 0.00 O ATOM 161 CB SER A 11 5.316 1.695 -5.954 1.00 0.00 C ATOM 162 OG SER A 11 5.157 0.284 -5.957 1.00 0.00 O ATOM 0 H SER A 11 6.960 0.930 -4.081 1.00 0.00 H new ATOM 0 HA SER A 11 5.043 3.255 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.514 2.165 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.253 1.969 -6.439 1.00 0.00 H new ATOM 0 HG SER A 11 4.267 0.056 -6.299 1.00 0.00 H new ATOM 168 N HIS A 12 3.005 1.547 -3.927 1.00 0.00 N ATOM 169 CA HIS A 12 2.056 0.765 -3.072 1.00 0.00 C ATOM 170 C HIS A 12 0.596 0.846 -3.544 1.00 0.00 C ATOM 171 O HIS A 12 0.275 1.455 -4.545 1.00 0.00 O ATOM 172 CB HIS A 12 2.195 1.387 -1.683 1.00 0.00 C ATOM 173 CG HIS A 12 1.548 2.744 -1.672 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.206 3.391 -0.495 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.177 3.593 -2.686 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.657 4.574 -0.826 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.615 4.747 -2.150 1.00 0.00 N ATOM 0 H HIS A 12 2.588 2.130 -4.653 1.00 0.00 H new ATOM 0 HA HIS A 12 2.300 -0.297 -3.105 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.728 0.744 -0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.248 1.473 -1.415 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.303 3.395 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.295 5.296 -0.109 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.249 5.552 -2.658 1.00 0.00 H new ATOM 185 N ILE A 13 -0.282 0.212 -2.799 1.00 0.00 N ATOM 186 CA ILE A 13 -1.739 0.200 -3.138 1.00 0.00 C ATOM 187 C ILE A 13 -2.548 -0.103 -1.862 1.00 0.00 C ATOM 188 O ILE A 13 -1.988 -0.406 -0.830 1.00 0.00 O ATOM 189 CB ILE A 13 -1.882 -0.930 -4.172 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.718 -0.352 -5.578 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.257 -1.597 -4.061 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.118 -1.404 -6.615 1.00 0.00 C ATOM 0 H ILE A 13 -0.042 -0.307 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.105 1.149 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.113 -1.678 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.337 0.538 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.685 -0.044 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.336 -2.393 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.378 -2.017 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.036 -0.856 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.001 -0.991 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.480 -2.282 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.158 -1.690 -6.460 1.00 0.00 H new ATOM 204 N LEU A 14 -3.856 -0.034 -1.918 1.00 0.00 N ATOM 205 CA LEU A 14 -4.665 -0.332 -0.692 1.00 0.00 C ATOM 206 C LEU A 14 -6.058 -0.856 -1.064 1.00 0.00 C ATOM 207 O LEU A 14 -6.674 -0.395 -2.003 1.00 0.00 O ATOM 208 CB LEU A 14 -4.792 1.003 0.048 1.00 0.00 C ATOM 209 CG LEU A 14 -5.890 0.894 1.114 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.325 1.303 2.473 1.00 0.00 C ATOM 211 CD2 LEU A 14 -7.059 1.816 0.748 1.00 0.00 C ATOM 0 H LEU A 14 -4.394 0.213 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.189 -1.101 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.842 1.264 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.031 1.800 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.244 -0.136 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.106 1.225 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.498 0.644 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.968 2.332 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.837 1.736 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.707 2.846 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.465 1.522 -0.220 1.00 0.00 H new ATOM 223 N ILE A 15 -6.567 -1.804 -0.318 1.00 0.00 N ATOM 224 CA ILE A 15 -7.929 -2.337 -0.616 1.00 0.00 C ATOM 225 C ILE A 15 -8.956 -1.654 0.293 1.00 0.00 C ATOM 226 O ILE A 15 -8.631 -0.751 1.037 1.00 0.00 O ATOM 227 CB ILE A 15 -7.857 -3.840 -0.331 1.00 0.00 C ATOM 228 CG1 ILE A 15 -7.673 -4.079 1.170 1.00 0.00 C ATOM 229 CG2 ILE A 15 -6.678 -4.448 -1.090 1.00 0.00 C ATOM 230 CD1 ILE A 15 -7.617 -5.586 1.441 1.00 0.00 C ATOM 0 H ILE A 15 -6.099 -2.230 0.482 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.233 -2.149 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.785 -4.310 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.756 -3.602 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.496 -3.629 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.627 -5.518 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.812 -4.288 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.752 -3.973 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.486 -5.759 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.546 -6.050 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.779 -6.023 0.897 1.00 0.00 H new ATOM 242 N LYS A 16 -10.191 -2.068 0.239 1.00 0.00 N ATOM 243 CA LYS A 16 -11.221 -1.423 1.103 1.00 0.00 C ATOM 244 C LYS A 16 -11.668 -2.376 2.213 1.00 0.00 C ATOM 245 O LYS A 16 -12.584 -3.157 2.044 1.00 0.00 O ATOM 246 CB LYS A 16 -12.386 -1.108 0.167 1.00 0.00 C ATOM 247 CG LYS A 16 -11.880 -0.285 -1.019 1.00 0.00 C ATOM 248 CD LYS A 16 -12.392 -0.900 -2.323 1.00 0.00 C ATOM 249 CE LYS A 16 -11.601 -0.328 -3.502 1.00 0.00 C ATOM 250 NZ LYS A 16 -11.437 -1.468 -4.446 1.00 0.00 N ATOM 0 H LYS A 16 -10.531 -2.819 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.837 -0.529 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.842 -2.033 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.158 -0.556 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.222 0.746 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.790 -0.260 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.286 -1.984 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.454 -0.687 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.134 0.499 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.635 0.059 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.903 -1.153 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.920 -2.237 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.373 -1.811 -4.742 1.00 0.00 H new ATOM 264 N HIS A 17 -11.032 -2.311 3.350 1.00 0.00 N ATOM 265 CA HIS A 17 -11.424 -3.207 4.476 1.00 0.00 C ATOM 266 C HIS A 17 -12.104 -2.393 5.581 1.00 0.00 C ATOM 267 O HIS A 17 -12.702 -1.366 5.330 1.00 0.00 O ATOM 268 CB HIS A 17 -10.112 -3.818 4.978 1.00 0.00 C ATOM 269 CG HIS A 17 -9.360 -2.817 5.818 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.609 -1.453 5.756 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.360 -2.970 6.747 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.776 -0.848 6.622 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.994 -1.727 7.253 1.00 0.00 N ATOM 0 H HIS A 17 -10.258 -1.677 3.549 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.132 -3.976 4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.320 -4.713 5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.499 -4.127 4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.924 -3.913 7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.744 0.219 6.787 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.281 -1.530 7.955 1.00 0.00 H new ATOM 281 N GLN A 18 -12.010 -2.841 6.802 1.00 0.00 N ATOM 282 CA GLN A 18 -12.646 -2.090 7.921 1.00 0.00 C ATOM 283 C GLN A 18 -11.979 -0.721 8.080 1.00 0.00 C ATOM 284 O GLN A 18 -12.531 0.297 7.714 1.00 0.00 O ATOM 285 CB GLN A 18 -12.408 -2.954 9.160 1.00 0.00 C ATOM 286 CG GLN A 18 -13.748 -3.474 9.684 1.00 0.00 C ATOM 287 CD GLN A 18 -14.453 -2.364 10.464 1.00 0.00 C ATOM 288 OE1 GLN A 18 -14.271 -1.197 10.180 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.256 -2.679 11.443 1.00 0.00 N ATOM 0 H GLN A 18 -11.521 -3.694 7.074 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.707 -1.908 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.753 -3.789 8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.905 -2.371 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.373 -3.803 8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.589 -4.340 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.409 -3.659 11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.731 -1.946 11.969 1.00 0.00 H new ATOM 298 N GLY A 19 -10.795 -0.692 8.622 1.00 0.00 N ATOM 299 CA GLY A 19 -10.088 0.607 8.804 1.00 0.00 C ATOM 300 C GLY A 19 -10.861 1.479 9.795 1.00 0.00 C ATOM 301 O GLY A 19 -11.793 1.032 10.434 1.00 0.00 O ATOM 0 H GLY A 19 -10.284 -1.513 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.076 0.433 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.997 1.120 7.847 1.00 0.00 H new ATOM 594 N THR A 37 -15.026 -6.347 2.992 1.00 0.00 N ATOM 595 CA THR A 37 -13.860 -7.049 3.597 1.00 0.00 C ATOM 596 C THR A 37 -13.524 -6.439 4.963 1.00 0.00 C ATOM 597 O THR A 37 -13.675 -5.253 5.181 1.00 0.00 O ATOM 598 CB THR A 37 -12.716 -6.841 2.587 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.660 -7.959 1.712 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.368 -6.695 3.307 1.00 0.00 C ATOM 0 HA THR A 37 -14.049 -8.107 3.777 1.00 0.00 H new ATOM 0 HB THR A 37 -12.909 -5.927 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.967 -7.810 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.577 -6.549 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.404 -5.835 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.165 -7.597 3.885 1.00 0.00 H new ATOM 608 N THR A 38 -13.065 -7.246 5.878 1.00 0.00 N ATOM 609 CA THR A 38 -12.710 -6.726 7.225 1.00 0.00 C ATOM 610 C THR A 38 -11.202 -6.850 7.455 1.00 0.00 C ATOM 611 O THR A 38 -10.476 -7.354 6.620 1.00 0.00 O ATOM 612 CB THR A 38 -13.474 -7.613 8.207 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.018 -8.954 8.082 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.970 -7.548 7.900 1.00 0.00 C ATOM 0 H THR A 38 -12.920 -8.247 5.749 1.00 0.00 H new ATOM 0 HA THR A 38 -12.967 -5.673 7.343 1.00 0.00 H new ATOM 0 HB THR A 38 -13.301 -7.263 9.225 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.505 -9.525 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.513 -8.181 8.601 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.317 -6.519 7.996 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.148 -7.897 6.883 1.00 0.00 H new ATOM 622 N ARG A 39 -10.727 -6.395 8.581 1.00 0.00 N ATOM 623 CA ARG A 39 -9.267 -6.488 8.867 1.00 0.00 C ATOM 624 C ARG A 39 -8.724 -7.854 8.435 1.00 0.00 C ATOM 625 O ARG A 39 -7.673 -7.955 7.830 1.00 0.00 O ATOM 626 CB ARG A 39 -9.138 -6.305 10.384 1.00 0.00 C ATOM 627 CG ARG A 39 -10.252 -7.067 11.111 1.00 0.00 C ATOM 628 CD ARG A 39 -9.627 -8.109 12.040 1.00 0.00 C ATOM 629 NE ARG A 39 -8.759 -7.320 12.955 1.00 0.00 N ATOM 630 CZ ARG A 39 -7.864 -7.920 13.691 1.00 0.00 C ATOM 631 NH1 ARG A 39 -7.163 -8.904 13.196 1.00 0.00 N ATOM 632 NH2 ARG A 39 -7.668 -7.530 14.920 1.00 0.00 N ATOM 0 H ARG A 39 -11.286 -5.963 9.316 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.695 -5.737 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.165 -6.664 10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.190 -5.245 10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.868 -6.374 11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.907 -7.553 10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.390 -8.657 12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.049 -8.844 11.480 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.864 -6.307 13.007 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.315 -9.204 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.464 -9.372 13.772 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.214 -6.758 15.303 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.969 -7.997 15.498 1.00 0.00 H new ATOM 646 N GLU A 40 -9.436 -8.903 8.732 1.00 0.00 N ATOM 647 CA GLU A 40 -8.971 -10.260 8.333 1.00 0.00 C ATOM 648 C GLU A 40 -9.117 -10.431 6.821 1.00 0.00 C ATOM 649 O GLU A 40 -8.152 -10.638 6.113 1.00 0.00 O ATOM 650 CB GLU A 40 -9.891 -11.227 9.080 1.00 0.00 C ATOM 651 CG GLU A 40 -9.370 -12.656 8.923 1.00 0.00 C ATOM 652 CD GLU A 40 -8.317 -12.937 9.995 1.00 0.00 C ATOM 653 OE1 GLU A 40 -8.114 -12.078 10.838 1.00 0.00 O ATOM 654 OE2 GLU A 40 -7.730 -14.005 9.956 1.00 0.00 O ATOM 0 H GLU A 40 -10.323 -8.880 9.235 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.922 -10.434 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.936 -10.960 10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.906 -11.154 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.192 -13.366 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.939 -12.790 7.931 1.00 0.00 H new ATOM 661 N ALA A 41 -10.317 -10.336 6.321 1.00 0.00 N ATOM 662 CA ALA A 41 -10.523 -10.481 4.852 1.00 0.00 C ATOM 663 C ALA A 41 -9.506 -9.622 4.103 1.00 0.00 C ATOM 664 O ALA A 41 -8.898 -10.052 3.143 1.00 0.00 O ATOM 665 CB ALA A 41 -11.943 -9.978 4.601 1.00 0.00 C ATOM 0 H ALA A 41 -11.163 -10.165 6.864 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.392 -11.507 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.173 -10.052 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.649 -10.584 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.022 -8.938 4.918 1.00 0.00 H new ATOM 671 N ALA A 42 -9.312 -8.412 4.544 1.00 0.00 N ATOM 672 CA ALA A 42 -8.328 -7.521 3.868 1.00 0.00 C ATOM 673 C ALA A 42 -7.032 -8.286 3.616 1.00 0.00 C ATOM 674 O ALA A 42 -6.656 -8.540 2.489 1.00 0.00 O ATOM 675 CB ALA A 42 -8.094 -6.371 4.848 1.00 0.00 C ATOM 0 H ALA A 42 -9.792 -8.000 5.344 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.683 -7.160 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.378 -5.669 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.036 -5.857 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.701 -6.766 5.785 1.00 0.00 H new ATOM 681 N VAL A 43 -6.351 -8.663 4.659 1.00 0.00 N ATOM 682 CA VAL A 43 -5.082 -9.422 4.482 1.00 0.00 C ATOM 683 C VAL A 43 -5.270 -10.499 3.414 1.00 0.00 C ATOM 684 O VAL A 43 -4.437 -10.688 2.551 1.00 0.00 O ATOM 685 CB VAL A 43 -4.804 -10.055 5.844 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.676 -11.079 5.714 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.388 -8.965 6.834 1.00 0.00 C ATOM 0 H VAL A 43 -6.617 -8.479 5.626 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.257 -8.788 4.158 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.705 -10.553 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.479 -11.529 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.969 -11.855 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.774 -10.583 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.189 -9.414 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.487 -8.469 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.191 -8.234 6.929 1.00 0.00 H new ATOM 697 N GLU A 44 -6.368 -11.198 3.463 1.00 0.00 N ATOM 698 CA GLU A 44 -6.622 -12.256 2.446 1.00 0.00 C ATOM 699 C GLU A 44 -6.621 -11.635 1.049 1.00 0.00 C ATOM 700 O GLU A 44 -6.049 -12.167 0.119 1.00 0.00 O ATOM 701 CB GLU A 44 -8.003 -12.813 2.789 1.00 0.00 C ATOM 702 CG GLU A 44 -7.852 -14.204 3.406 1.00 0.00 C ATOM 703 CD GLU A 44 -7.786 -14.082 4.929 1.00 0.00 C ATOM 704 OE1 GLU A 44 -8.740 -13.587 5.505 1.00 0.00 O ATOM 705 OE2 GLU A 44 -6.782 -14.484 5.494 1.00 0.00 O ATOM 0 H GLU A 44 -7.101 -11.083 4.163 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.861 -13.037 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.513 -12.148 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.619 -12.866 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.693 -14.835 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.949 -14.684 3.030 1.00 0.00 H new ATOM 712 N GLN A 45 -7.248 -10.503 0.903 1.00 0.00 N ATOM 713 CA GLN A 45 -7.276 -9.831 -0.427 1.00 0.00 C ATOM 714 C GLN A 45 -5.858 -9.437 -0.830 1.00 0.00 C ATOM 715 O GLN A 45 -5.426 -9.662 -1.943 1.00 0.00 O ATOM 716 CB GLN A 45 -8.136 -8.584 -0.226 1.00 0.00 C ATOM 717 CG GLN A 45 -9.212 -8.530 -1.309 1.00 0.00 C ATOM 718 CD GLN A 45 -10.311 -7.553 -0.892 1.00 0.00 C ATOM 719 OE1 GLN A 45 -11.107 -7.852 -0.025 1.00 0.00 O ATOM 720 NE2 GLN A 45 -10.390 -6.389 -1.476 1.00 0.00 N ATOM 0 H GLN A 45 -7.743 -10.012 1.647 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.674 -10.475 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.598 -8.603 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.515 -7.689 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.773 -8.217 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.634 -9.523 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.722 -6.137 -2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.120 -5.731 -1.204 1.00 0.00 H new ATOM 729 N LEU A 46 -5.133 -8.851 0.077 1.00 0.00 N ATOM 730 CA LEU A 46 -3.738 -8.437 -0.231 1.00 0.00 C ATOM 731 C LEU A 46 -2.876 -9.669 -0.497 1.00 0.00 C ATOM 732 O LEU A 46 -1.978 -9.649 -1.315 1.00 0.00 O ATOM 733 CB LEU A 46 -3.262 -7.703 1.021 1.00 0.00 C ATOM 734 CG LEU A 46 -3.063 -6.223 0.699 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.388 -5.621 0.227 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.588 -5.491 1.955 1.00 0.00 C ATOM 0 H LEU A 46 -5.448 -8.639 1.024 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.674 -7.808 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.992 -7.817 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.328 -8.137 1.377 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.317 -6.118 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.246 -4.565 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.728 -6.145 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.135 -5.724 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.445 -4.434 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.335 -5.595 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.645 -5.921 2.292 1.00 0.00 H new ATOM 748 N LYS A 47 -3.145 -10.746 0.187 1.00 0.00 N ATOM 749 CA LYS A 47 -2.343 -11.982 -0.029 1.00 0.00 C ATOM 750 C LYS A 47 -2.343 -12.342 -1.515 1.00 0.00 C ATOM 751 O LYS A 47 -1.313 -12.370 -2.161 1.00 0.00 O ATOM 752 CB LYS A 47 -3.046 -13.063 0.791 1.00 0.00 C ATOM 753 CG LYS A 47 -2.022 -13.778 1.675 1.00 0.00 C ATOM 754 CD LYS A 47 -2.711 -14.899 2.455 1.00 0.00 C ATOM 755 CE LYS A 47 -2.202 -14.907 3.899 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.059 -15.864 3.902 1.00 0.00 N ATOM 0 H LYS A 47 -3.884 -10.824 0.885 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.302 -11.864 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.826 -12.617 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.533 -13.778 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.220 -14.188 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.564 -13.069 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.791 -14.755 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.511 -15.861 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.884 -13.912 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.983 -15.223 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.658 -15.923 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.393 -16.804 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.328 -15.534 3.240 1.00 0.00 H new ATOM 770 N SER A 48 -3.494 -12.606 -2.064 1.00 0.00 N ATOM 771 CA SER A 48 -3.567 -12.950 -3.512 1.00 0.00 C ATOM 772 C SER A 48 -2.961 -11.818 -4.341 1.00 0.00 C ATOM 773 O SER A 48 -2.460 -12.033 -5.423 1.00 0.00 O ATOM 774 CB SER A 48 -5.057 -13.102 -3.815 1.00 0.00 C ATOM 775 OG SER A 48 -5.685 -11.829 -3.735 1.00 0.00 O ATOM 0 H SER A 48 -4.388 -12.599 -1.574 1.00 0.00 H new ATOM 0 HA SER A 48 -3.015 -13.859 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.196 -13.527 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.515 -13.792 -3.106 1.00 0.00 H new ATOM 0 HG SER A 48 -5.369 -11.358 -2.936 1.00 0.00 H new ATOM 781 N ILE A 49 -2.996 -10.614 -3.840 1.00 0.00 N ATOM 782 CA ILE A 49 -2.411 -9.481 -4.609 1.00 0.00 C ATOM 783 C ILE A 49 -0.974 -9.831 -5.009 1.00 0.00 C ATOM 784 O ILE A 49 -0.627 -9.828 -6.173 1.00 0.00 O ATOM 785 CB ILE A 49 -2.494 -8.266 -3.662 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.259 -7.141 -4.364 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.099 -7.757 -3.274 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.659 -6.904 -5.751 1.00 0.00 C ATOM 0 H ILE A 49 -3.402 -10.367 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.937 -9.265 -5.539 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.008 -8.576 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.313 -7.404 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.207 -6.227 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.197 -6.901 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.550 -8.551 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.558 -7.457 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.204 -6.103 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.611 -6.623 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.735 -7.817 -6.341 1.00 0.00 H new ATOM 800 N ARG A 50 -0.145 -10.159 -4.060 1.00 0.00 N ATOM 801 CA ARG A 50 1.253 -10.538 -4.407 1.00 0.00 C ATOM 802 C ARG A 50 1.201 -11.672 -5.429 1.00 0.00 C ATOM 803 O ARG A 50 1.947 -11.705 -6.386 1.00 0.00 O ATOM 804 CB ARG A 50 1.882 -11.017 -3.097 1.00 0.00 C ATOM 805 CG ARG A 50 3.258 -11.621 -3.384 1.00 0.00 C ATOM 806 CD ARG A 50 3.468 -12.860 -2.510 1.00 0.00 C ATOM 807 NE ARG A 50 4.412 -13.714 -3.281 1.00 0.00 N ATOM 808 CZ ARG A 50 4.481 -14.995 -3.040 1.00 0.00 C ATOM 809 NH1 ARG A 50 4.586 -15.423 -1.812 1.00 0.00 N ATOM 810 NH2 ARG A 50 4.446 -15.847 -4.028 1.00 0.00 N ATOM 0 H ARG A 50 -0.371 -10.182 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 50 1.828 -9.718 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.977 -10.184 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.239 -11.758 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.336 -11.889 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.038 -10.886 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.881 -12.593 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.527 -13.378 -2.325 1.00 0.00 H new ATOM 0 HE ARG A 50 5.006 -13.298 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.614 -14.757 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.640 -16.424 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.365 -15.512 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.500 -16.848 -3.840 1.00 0.00 H new ATOM 824 N GLU A 51 0.292 -12.587 -5.236 1.00 0.00 N ATOM 825 CA GLU A 51 0.134 -13.718 -6.192 1.00 0.00 C ATOM 826 C GLU A 51 -0.286 -13.153 -7.544 1.00 0.00 C ATOM 827 O GLU A 51 0.402 -13.277 -8.536 1.00 0.00 O ATOM 828 CB GLU A 51 -0.982 -14.566 -5.565 1.00 0.00 C ATOM 829 CG GLU A 51 -1.842 -15.235 -6.642 1.00 0.00 C ATOM 830 CD GLU A 51 -0.943 -15.984 -7.627 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.195 -16.249 -7.275 1.00 0.00 O ATOM 832 OE2 GLU A 51 -1.409 -16.283 -8.714 1.00 0.00 O ATOM 0 H GLU A 51 -0.355 -12.599 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 51 1.040 -14.302 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.544 -15.328 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.610 -13.937 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.547 -15.926 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.430 -14.484 -7.170 1.00 0.00 H new ATOM 839 N ASP A 52 -1.406 -12.511 -7.581 1.00 0.00 N ATOM 840 CA ASP A 52 -1.853 -11.908 -8.862 1.00 0.00 C ATOM 841 C ASP A 52 -0.707 -11.063 -9.412 1.00 0.00 C ATOM 842 O ASP A 52 -0.326 -11.181 -10.559 1.00 0.00 O ATOM 843 CB ASP A 52 -3.058 -11.035 -8.510 1.00 0.00 C ATOM 844 CG ASP A 52 -4.306 -11.574 -9.212 1.00 0.00 C ATOM 845 OD1 ASP A 52 -4.777 -12.627 -8.814 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.769 -10.925 -10.135 1.00 0.00 O ATOM 0 H ASP A 52 -2.033 -12.375 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.124 -12.647 -9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.211 -11.027 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.874 -10.004 -8.814 1.00 0.00 H new ATOM 851 N ILE A 53 -0.125 -10.234 -8.583 1.00 0.00 N ATOM 852 CA ILE A 53 1.028 -9.417 -9.047 1.00 0.00 C ATOM 853 C ILE A 53 2.144 -10.372 -9.459 1.00 0.00 C ATOM 854 O ILE A 53 2.964 -10.074 -10.304 1.00 0.00 O ATOM 855 CB ILE A 53 1.450 -8.582 -7.839 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.329 -7.606 -7.466 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.717 -7.797 -8.180 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.234 -6.495 -8.516 1.00 0.00 C ATOM 0 H ILE A 53 -0.399 -10.091 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 53 0.791 -8.776 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 53 1.646 -9.244 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.620 -8.137 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.522 -7.175 -6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.019 -7.201 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.516 -8.491 -8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.520 -7.138 -9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.565 -5.805 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.180 -5.955 -8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.019 -6.933 -9.491 1.00 0.00 H new ATOM 870 N VAL A 54 2.155 -11.536 -8.866 1.00 0.00 N ATOM 871 CA VAL A 54 3.186 -12.549 -9.209 1.00 0.00 C ATOM 872 C VAL A 54 2.820 -13.199 -10.549 1.00 0.00 C ATOM 873 O VAL A 54 3.516 -13.052 -11.533 1.00 0.00 O ATOM 874 CB VAL A 54 3.137 -13.558 -8.045 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.466 -14.969 -8.537 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.151 -13.149 -6.978 1.00 0.00 C ATOM 0 H VAL A 54 1.486 -11.828 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 54 4.188 -12.137 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 54 2.130 -13.558 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.426 -15.665 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.741 -15.269 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.466 -14.979 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.119 -13.861 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.151 -13.141 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.908 -12.153 -6.607 1.00 0.00 H new ATOM 886 N SER A 55 1.724 -13.901 -10.594 1.00 0.00 N ATOM 887 CA SER A 55 1.301 -14.547 -11.872 1.00 0.00 C ATOM 888 C SER A 55 0.265 -13.672 -12.583 1.00 0.00 C ATOM 889 O SER A 55 -0.563 -13.043 -11.955 1.00 0.00 O ATOM 890 CB SER A 55 0.685 -15.888 -11.471 1.00 0.00 C ATOM 891 OG SER A 55 0.816 -16.072 -10.066 1.00 0.00 O ATOM 0 H SER A 55 1.100 -14.057 -9.802 1.00 0.00 H new ATOM 0 HA SER A 55 2.137 -14.681 -12.559 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.367 -15.916 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.180 -16.701 -12.002 1.00 0.00 H new ATOM 0 HG SER A 55 0.017 -16.522 -9.719 1.00 0.00 H new ATOM 897 N GLY A 56 0.297 -13.628 -13.886 1.00 0.00 N ATOM 898 CA GLY A 56 -0.692 -12.797 -14.620 1.00 0.00 C ATOM 899 C GLY A 56 -0.017 -11.523 -15.113 1.00 0.00 C ATOM 900 O GLY A 56 0.400 -10.687 -14.336 1.00 0.00 O ATOM 0 H GLY A 56 0.964 -14.131 -14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.098 -13.356 -15.463 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.530 -12.549 -13.968 1.00 0.00 H new ATOM 904 N LYS A 57 0.091 -11.365 -16.399 1.00 0.00 N ATOM 905 CA LYS A 57 0.738 -10.141 -16.955 1.00 0.00 C ATOM 906 C LYS A 57 -0.158 -8.915 -16.731 1.00 0.00 C ATOM 907 O LYS A 57 -0.447 -8.174 -17.649 1.00 0.00 O ATOM 908 CB LYS A 57 0.887 -10.430 -18.449 1.00 0.00 C ATOM 909 CG LYS A 57 1.585 -9.255 -19.135 1.00 0.00 C ATOM 910 CD LYS A 57 2.310 -9.757 -20.385 1.00 0.00 C ATOM 911 CE LYS A 57 3.086 -8.604 -21.025 1.00 0.00 C ATOM 912 NZ LYS A 57 4.518 -8.996 -20.910 1.00 0.00 N ATOM 0 H LYS A 57 -0.241 -12.032 -17.095 1.00 0.00 H new ATOM 0 HA LYS A 57 1.694 -9.922 -16.479 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.463 -11.344 -18.597 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.093 -10.595 -18.897 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.856 -8.492 -19.406 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.295 -8.789 -18.451 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.992 -10.566 -20.122 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.591 -10.164 -21.096 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.797 -8.463 -22.067 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.891 -7.663 -20.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.116 -8.254 -21.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.766 -9.116 -19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.674 -9.892 -21.415 1.00 0.00 H new ATOM 926 N ALA A 58 -0.601 -8.697 -15.521 1.00 0.00 N ATOM 927 CA ALA A 58 -1.477 -7.529 -15.242 1.00 0.00 C ATOM 928 C ALA A 58 -0.631 -6.277 -14.981 1.00 0.00 C ATOM 929 O ALA A 58 0.566 -6.271 -15.188 1.00 0.00 O ATOM 930 CB ALA A 58 -2.242 -7.937 -13.987 1.00 0.00 C ATOM 0 H ALA A 58 -0.391 -9.282 -14.712 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.138 -7.284 -16.074 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.921 -7.135 -13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.815 -8.842 -14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.538 -8.126 -13.177 1.00 0.00 H new ATOM 936 N ASN A 59 -1.246 -5.216 -14.530 1.00 0.00 N ATOM 937 CA ASN A 59 -0.478 -3.965 -14.259 1.00 0.00 C ATOM 938 C ASN A 59 -0.480 -3.653 -12.759 1.00 0.00 C ATOM 939 O ASN A 59 -0.460 -4.543 -11.932 1.00 0.00 O ATOM 940 CB ASN A 59 -1.216 -2.872 -15.032 1.00 0.00 C ATOM 941 CG ASN A 59 -0.201 -1.933 -15.686 1.00 0.00 C ATOM 942 OD1 ASN A 59 0.602 -1.321 -15.010 1.00 0.00 O ATOM 943 ND2 ASN A 59 -0.202 -1.792 -16.983 1.00 0.00 N ATOM 0 H ASN A 59 -2.246 -5.161 -14.338 1.00 0.00 H new ATOM 0 HA ASN A 59 0.565 -4.049 -14.564 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.856 -3.319 -15.793 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.865 -2.311 -14.359 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.471 -1.168 -17.429 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.876 -2.305 -17.551 1.00 0.00 H new ATOM 950 N PHE A 60 -0.502 -2.396 -12.401 1.00 0.00 N ATOM 951 CA PHE A 60 -0.504 -2.036 -10.952 1.00 0.00 C ATOM 952 C PHE A 60 -0.915 -0.574 -10.758 1.00 0.00 C ATOM 953 O PHE A 60 -1.564 -0.227 -9.792 1.00 0.00 O ATOM 954 CB PHE A 60 0.937 -2.251 -10.489 1.00 0.00 C ATOM 955 CG PHE A 60 1.084 -1.792 -9.057 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.098 -0.424 -8.758 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.207 -2.734 -8.028 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.238 0.003 -7.432 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.345 -2.307 -6.701 1.00 0.00 C ATOM 960 CZ PHE A 60 1.361 -0.939 -6.404 1.00 0.00 C ATOM 0 H PHE A 60 -0.519 -1.606 -13.046 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.213 -2.638 -10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.203 -3.305 -10.573 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.622 -1.697 -11.131 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.001 0.302 -9.551 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.195 -3.789 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.251 1.058 -7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.439 -3.033 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.468 -0.610 -5.381 1.00 0.00 H new ATOM 970 N GLU A 61 -0.541 0.285 -11.664 1.00 0.00 N ATOM 971 CA GLU A 61 -0.911 1.723 -11.522 1.00 0.00 C ATOM 972 C GLU A 61 -2.433 1.884 -11.533 1.00 0.00 C ATOM 973 O GLU A 61 -3.046 2.113 -10.509 1.00 0.00 O ATOM 974 CB GLU A 61 -0.283 2.417 -12.731 1.00 0.00 C ATOM 975 CG GLU A 61 1.235 2.478 -12.553 1.00 0.00 C ATOM 976 CD GLU A 61 1.815 3.550 -13.478 1.00 0.00 C ATOM 977 OE1 GLU A 61 1.051 4.134 -14.228 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.015 3.768 -13.420 1.00 0.00 O ATOM 0 H GLU A 61 0.004 0.056 -12.495 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.558 2.149 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.531 1.876 -13.644 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.688 3.423 -12.837 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.481 2.706 -11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.678 1.508 -12.780 1.00 0.00 H new ATOM 985 N GLU A 62 -3.048 1.767 -12.679 1.00 0.00 N ATOM 986 CA GLU A 62 -4.531 1.914 -12.744 1.00 0.00 C ATOM 987 C GLU A 62 -5.175 1.172 -11.576 1.00 0.00 C ATOM 988 O GLU A 62 -6.048 1.690 -10.907 1.00 0.00 O ATOM 989 CB GLU A 62 -4.936 1.281 -14.074 1.00 0.00 C ATOM 990 CG GLU A 62 -4.518 2.203 -15.220 1.00 0.00 C ATOM 991 CD GLU A 62 -5.077 3.605 -14.973 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.109 3.705 -14.328 1.00 0.00 O ATOM 993 OE2 GLU A 62 -4.465 4.554 -15.432 1.00 0.00 O ATOM 0 H GLU A 62 -2.590 1.577 -13.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.851 2.954 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.462 0.306 -14.185 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.013 1.116 -14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.431 2.241 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.888 1.814 -16.168 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.745 -0.029 -11.311 1.00 0.00 N ATOM 1001 CA VAL A 63 -5.333 -0.779 -10.169 1.00 0.00 C ATOM 1002 C VAL A 63 -5.200 0.063 -8.902 1.00 0.00 C ATOM 1003 O VAL A 63 -6.145 0.248 -8.162 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.509 -2.062 -10.059 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -5.187 -3.020 -9.078 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -4.417 -2.726 -11.434 1.00 0.00 C ATOM 0 H VAL A 63 -4.018 -0.520 -11.831 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.391 -1.003 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.508 -1.822 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.600 -3.935 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.257 -2.548 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.188 -3.261 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.830 -3.641 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.419 -2.966 -11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.937 -2.044 -12.136 1.00 0.00 H new ATOM 1016 N ALA A 64 -4.032 0.588 -8.662 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.828 1.435 -7.454 1.00 0.00 C ATOM 1018 C ALA A 64 -4.778 2.632 -7.495 1.00 0.00 C ATOM 1019 O ALA A 64 -5.550 2.859 -6.585 1.00 0.00 O ATOM 1020 CB ALA A 64 -2.376 1.905 -7.542 1.00 0.00 C ATOM 0 H ALA A 64 -3.208 0.467 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.026 0.895 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.146 2.537 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.713 1.040 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.233 2.474 -8.461 1.00 0.00 H new ATOM 1026 N THR A 65 -4.730 3.396 -8.551 1.00 0.00 N ATOM 1027 CA THR A 65 -5.632 4.577 -8.663 1.00 0.00 C ATOM 1028 C THR A 65 -7.048 4.199 -8.221 1.00 0.00 C ATOM 1029 O THR A 65 -7.793 5.016 -7.719 1.00 0.00 O ATOM 1030 CB THR A 65 -5.608 4.945 -10.148 1.00 0.00 C ATOM 1031 OG1 THR A 65 -5.091 3.856 -10.891 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.727 6.176 -10.362 1.00 0.00 C ATOM 0 H THR A 65 -4.104 3.253 -9.343 1.00 0.00 H new ATOM 0 HA THR A 65 -5.316 5.408 -8.032 1.00 0.00 H new ATOM 0 HB THR A 65 -6.621 5.169 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.802 3.200 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.713 6.434 -11.421 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.127 7.013 -9.790 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.712 5.960 -10.028 1.00 0.00 H new ATOM 1040 N ARG A 66 -7.424 2.963 -8.408 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.790 2.525 -8.002 1.00 0.00 C ATOM 1042 C ARG A 66 -8.755 1.899 -6.605 1.00 0.00 C ATOM 1043 O ARG A 66 -9.486 2.288 -5.717 1.00 0.00 O ATOM 1044 CB ARG A 66 -9.194 1.485 -9.047 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.678 1.644 -9.378 1.00 0.00 C ATOM 1046 CD ARG A 66 -11.161 0.422 -10.165 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.638 0.402 -9.972 1.00 0.00 N ATOM 1048 CZ ARG A 66 -13.304 -0.710 -10.132 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -13.179 -1.392 -11.238 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -14.094 -1.139 -9.187 1.00 0.00 N ATOM 0 H ARG A 66 -6.843 2.236 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.495 3.355 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.594 1.608 -9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.000 0.481 -8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.257 1.750 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.836 2.551 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.901 0.504 -11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.701 -0.494 -9.794 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.130 1.258 -9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.561 -1.056 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.699 -2.261 -11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.192 -0.606 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.614 -2.007 -9.312 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.903 0.934 -6.410 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.799 0.272 -5.077 1.00 0.00 C ATOM 1066 C VAL A 67 -6.672 0.920 -4.272 1.00 0.00 C ATOM 1067 O VAL A 67 -5.667 0.306 -3.984 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.474 -1.190 -5.389 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.130 -1.275 -6.113 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.395 -1.983 -4.086 1.00 0.00 C ATOM 0 H VAL A 67 -7.268 0.571 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.710 0.363 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.256 -1.605 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.901 -2.318 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.182 -0.710 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.348 -0.858 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.163 -3.025 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.613 -1.564 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.352 -1.926 -3.567 1.00 0.00 H new ATOM 1080 N SER A 68 -6.823 2.167 -3.933 1.00 0.00 N ATOM 1081 CA SER A 68 -5.749 2.871 -3.174 1.00 0.00 C ATOM 1082 C SER A 68 -6.327 3.622 -1.971 1.00 0.00 C ATOM 1083 O SER A 68 -7.518 3.841 -1.876 1.00 0.00 O ATOM 1084 CB SER A 68 -5.187 3.857 -4.186 1.00 0.00 C ATOM 1085 OG SER A 68 -6.267 4.380 -4.942 1.00 0.00 O ATOM 0 H SER A 68 -7.644 2.733 -4.148 1.00 0.00 H new ATOM 0 HA SER A 68 -5.001 2.186 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.654 4.661 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.469 3.362 -4.840 1.00 0.00 H new ATOM 0 HG SER A 68 -6.413 3.822 -5.734 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.487 4.024 -1.051 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.982 4.769 0.145 1.00 0.00 C ATOM 1093 C ASP A 69 -6.542 6.127 -0.277 1.00 0.00 C ATOM 1094 O ASP A 69 -6.034 7.164 0.099 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.755 4.952 1.040 1.00 0.00 C ATOM 1096 CG ASP A 69 -5.107 5.890 2.197 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -6.279 6.193 2.351 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -4.200 6.291 2.907 1.00 0.00 O ATOM 0 H ASP A 69 -4.479 3.868 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.783 4.237 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.425 3.987 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.927 5.364 0.462 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.584 6.125 -1.059 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.181 7.410 -1.513 1.00 0.00 C ATOM 1105 C CYS A 70 -7.092 8.316 -2.101 1.00 0.00 C ATOM 1106 O CYS A 70 -6.810 8.284 -3.287 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.785 8.035 -0.255 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.256 9.749 -0.596 1.00 0.00 S ATOM 0 H CYS A 70 -8.049 5.286 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.930 7.268 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.657 7.464 0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.065 8.001 0.562 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.771 10.278 0.474 1.00 0.00 H new ATOM 1114 N SER A 71 -6.457 9.108 -1.279 1.00 0.00 N ATOM 1115 CA SER A 71 -5.373 9.983 -1.795 1.00 0.00 C ATOM 1116 C SER A 71 -4.471 9.143 -2.684 1.00 0.00 C ATOM 1117 O SER A 71 -4.143 9.512 -3.794 1.00 0.00 O ATOM 1118 CB SER A 71 -4.625 10.444 -0.552 1.00 0.00 C ATOM 1119 OG SER A 71 -3.645 11.407 -0.918 1.00 0.00 O ATOM 0 H SER A 71 -6.643 9.185 -0.279 1.00 0.00 H new ATOM 0 HA SER A 71 -5.732 10.830 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.323 10.874 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.150 9.593 -0.064 1.00 0.00 H new ATOM 0 HG SER A 71 -3.164 11.705 -0.118 1.00 0.00 H new ATOM 1125 N SER A 72 -4.097 7.994 -2.204 1.00 0.00 N ATOM 1126 CA SER A 72 -3.244 7.096 -3.022 1.00 0.00 C ATOM 1127 C SER A 72 -3.899 6.924 -4.391 1.00 0.00 C ATOM 1128 O SER A 72 -3.236 6.858 -5.397 1.00 0.00 O ATOM 1129 CB SER A 72 -3.197 5.775 -2.258 1.00 0.00 C ATOM 1130 OG SER A 72 -2.502 4.804 -3.031 1.00 0.00 O ATOM 0 H SER A 72 -4.345 7.638 -1.281 1.00 0.00 H new ATOM 0 HA SER A 72 -2.237 7.482 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.700 5.915 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.209 5.430 -2.045 1.00 0.00 H new ATOM 0 HG SER A 72 -1.559 4.788 -2.765 1.00 0.00 H new ATOM 1136 N ALA A 73 -5.202 6.900 -4.451 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.856 6.790 -5.784 1.00 0.00 C ATOM 1138 C ALA A 73 -5.228 7.847 -6.681 1.00 0.00 C ATOM 1139 O ALA A 73 -4.940 7.615 -7.838 1.00 0.00 O ATOM 1140 CB ALA A 73 -7.338 7.076 -5.542 1.00 0.00 C ATOM 0 H ALA A 73 -5.832 6.951 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.736 5.816 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.880 7.011 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.740 6.344 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.452 8.077 -5.126 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.966 8.996 -6.126 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.298 10.066 -6.915 1.00 0.00 C ATOM 1148 C LYS A 74 -2.825 9.675 -7.087 1.00 0.00 C ATOM 1149 O LYS A 74 -2.188 9.992 -8.071 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.442 11.333 -6.067 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.123 12.561 -6.922 1.00 0.00 C ATOM 1152 CD LYS A 74 -5.403 13.055 -7.601 1.00 0.00 C ATOM 1153 CE LYS A 74 -5.040 13.875 -8.841 1.00 0.00 C ATOM 1154 NZ LYS A 74 -5.481 15.263 -8.528 1.00 0.00 N ATOM 0 H LYS A 74 -5.186 9.240 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.724 10.216 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.455 11.405 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.769 11.288 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.700 13.350 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.374 12.310 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.028 12.208 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.984 13.663 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.969 13.837 -9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.543 13.492 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.265 15.886 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.506 15.270 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.980 15.604 -7.683 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.302 8.962 -6.124 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.883 8.495 -6.177 1.00 0.00 C ATOM 1170 C ARG A 75 -0.854 6.960 -6.238 1.00 0.00 C ATOM 1171 O ARG A 75 -0.170 6.312 -5.471 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.275 8.971 -4.858 1.00 0.00 C ATOM 1173 CG ARG A 75 0.483 10.276 -5.082 1.00 0.00 C ATOM 1174 CD ARG A 75 -0.450 11.311 -5.714 1.00 0.00 C ATOM 1175 NE ARG A 75 -0.072 11.339 -7.153 1.00 0.00 N ATOM 1176 CZ ARG A 75 0.717 12.275 -7.600 1.00 0.00 C ATOM 1177 NH1 ARG A 75 2.010 12.157 -7.467 1.00 0.00 N ATOM 1178 NH2 ARG A 75 0.214 13.331 -8.178 1.00 0.00 N ATOM 0 H ARG A 75 -2.809 8.678 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.344 8.874 -7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.060 9.118 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.399 8.211 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.869 10.651 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.342 10.102 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.496 11.031 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.323 12.291 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.430 10.626 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.403 11.332 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.628 12.890 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.797 13.424 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.831 14.064 -8.528 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.615 6.376 -7.124 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.663 4.889 -7.212 1.00 0.00 C ATOM 1194 C GLY A 76 -0.306 4.351 -7.638 1.00 0.00 C ATOM 1195 O GLY A 76 0.071 3.247 -7.298 1.00 0.00 O ATOM 0 H GLY A 76 -2.208 6.867 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.944 4.468 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.426 4.583 -7.928 1.00 0.00 H new ATOM 1199 N GLY A 77 0.433 5.119 -8.377 1.00 0.00 N ATOM 1200 CA GLY A 77 1.768 4.644 -8.822 1.00 0.00 C ATOM 1201 C GLY A 77 2.616 4.303 -7.597 1.00 0.00 C ATOM 1202 O GLY A 77 2.516 3.228 -7.025 1.00 0.00 O ATOM 0 H GLY A 77 0.173 6.053 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.661 3.767 -9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.261 5.413 -9.417 1.00 0.00 H new ATOM 1206 N ASP A 78 3.453 5.208 -7.186 1.00 0.00 N ATOM 1207 CA ASP A 78 4.307 4.925 -6.003 1.00 0.00 C ATOM 1208 C ASP A 78 4.565 6.195 -5.195 1.00 0.00 C ATOM 1209 O ASP A 78 4.205 7.286 -5.588 1.00 0.00 O ATOM 1210 CB ASP A 78 5.617 4.397 -6.587 1.00 0.00 C ATOM 1211 CG ASP A 78 6.350 5.533 -7.302 1.00 0.00 C ATOM 1212 OD1 ASP A 78 7.051 6.274 -6.632 1.00 0.00 O ATOM 1213 OD2 ASP A 78 6.197 5.644 -8.507 1.00 0.00 O ATOM 0 H ASP A 78 3.583 6.125 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 78 3.834 4.216 -5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.243 3.988 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.415 3.584 -7.284 1.00 0.00 H new ATOM 1218 N LEU A 79 5.203 6.050 -4.068 1.00 0.00 N ATOM 1219 CA LEU A 79 5.511 7.232 -3.220 1.00 0.00 C ATOM 1220 C LEU A 79 6.707 7.972 -3.814 1.00 0.00 C ATOM 1221 O LEU A 79 6.613 9.103 -4.248 1.00 0.00 O ATOM 1222 CB LEU A 79 5.884 6.651 -1.851 1.00 0.00 C ATOM 1223 CG LEU A 79 4.639 6.098 -1.151 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.063 4.932 -1.956 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.022 5.598 0.244 1.00 0.00 C ATOM 0 H LEU A 79 5.526 5.157 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 79 4.678 7.932 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.623 5.859 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.344 7.423 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 79 3.893 6.889 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.178 4.544 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.790 5.278 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.810 4.142 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.138 5.204 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.770 4.810 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.431 6.423 0.827 1.00 0.00 H new ATOM 1237 N GLY A 80 7.831 7.321 -3.824 1.00 0.00 N ATOM 1238 CA GLY A 80 9.065 7.933 -4.372 1.00 0.00 C ATOM 1239 C GLY A 80 10.206 7.608 -3.423 1.00 0.00 C ATOM 1240 O GLY A 80 10.886 6.611 -3.568 1.00 0.00 O ATOM 0 H GLY A 80 7.948 6.372 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.274 7.544 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.945 9.012 -4.470 1.00 0.00 H new ATOM 1244 N SER A 81 10.404 8.434 -2.439 1.00 0.00 N ATOM 1245 CA SER A 81 11.491 8.183 -1.459 1.00 0.00 C ATOM 1246 C SER A 81 11.128 8.778 -0.100 1.00 0.00 C ATOM 1247 O SER A 81 10.508 9.819 -0.009 1.00 0.00 O ATOM 1248 CB SER A 81 12.713 8.876 -2.041 1.00 0.00 C ATOM 1249 OG SER A 81 12.856 10.162 -1.452 1.00 0.00 O ATOM 0 H SER A 81 9.856 9.278 -2.270 1.00 0.00 H new ATOM 0 HA SER A 81 11.665 7.119 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.606 8.278 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.611 8.969 -3.122 1.00 0.00 H new ATOM 0 HG SER A 81 13.645 10.607 -1.826 1.00 0.00 H new ATOM 1255 N PHE A 82 11.509 8.120 0.956 1.00 0.00 N ATOM 1256 CA PHE A 82 11.191 8.633 2.316 1.00 0.00 C ATOM 1257 C PHE A 82 12.030 7.881 3.348 1.00 0.00 C ATOM 1258 O PHE A 82 11.679 6.805 3.779 1.00 0.00 O ATOM 1259 CB PHE A 82 9.704 8.336 2.508 1.00 0.00 C ATOM 1260 CG PHE A 82 9.429 6.901 2.125 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.251 6.554 0.779 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.361 5.917 3.116 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.005 5.222 0.427 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.113 4.586 2.764 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.936 4.239 1.419 1.00 0.00 C ATOM 0 H PHE A 82 12.030 7.243 0.936 1.00 0.00 H new ATOM 0 HA PHE A 82 11.407 9.695 2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.418 8.509 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.105 9.009 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.304 7.314 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.500 6.184 4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.869 4.954 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.058 3.826 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.746 3.211 1.148 1.00 0.00 H new ATOM 1275 N GLY A 83 13.145 8.426 3.737 1.00 0.00 N ATOM 1276 CA GLY A 83 14.003 7.721 4.727 1.00 0.00 C ATOM 1277 C GLY A 83 13.207 7.433 6.001 1.00 0.00 C ATOM 1278 O GLY A 83 12.558 6.413 6.121 1.00 0.00 O ATOM 0 H GLY A 83 13.500 9.326 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.372 6.788 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.875 8.331 4.964 1.00 0.00 H new ATOM 1282 N ARG A 84 13.260 8.315 6.961 1.00 0.00 N ATOM 1283 CA ARG A 84 12.514 8.075 8.232 1.00 0.00 C ATOM 1284 C ARG A 84 11.230 8.913 8.269 1.00 0.00 C ATOM 1285 O ARG A 84 11.055 9.836 7.497 1.00 0.00 O ATOM 1286 CB ARG A 84 13.469 8.508 9.353 1.00 0.00 C ATOM 1287 CG ARG A 84 14.912 8.128 8.996 1.00 0.00 C ATOM 1288 CD ARG A 84 15.011 6.618 8.753 1.00 0.00 C ATOM 1289 NE ARG A 84 15.218 6.026 10.105 1.00 0.00 N ATOM 1290 CZ ARG A 84 15.430 4.745 10.232 1.00 0.00 C ATOM 1291 NH1 ARG A 84 14.424 3.915 10.221 1.00 0.00 N ATOM 1292 NH2 ARG A 84 16.647 4.294 10.371 1.00 0.00 N ATOM 0 H ARG A 84 13.785 9.189 6.922 1.00 0.00 H new ATOM 0 HA ARG A 84 12.214 7.032 8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.396 9.585 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.181 8.032 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.230 8.670 8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.584 8.420 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.104 6.232 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.839 6.378 8.086 1.00 0.00 H new ATOM 0 HE ARG A 84 15.194 6.623 10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.473 4.268 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.588 2.913 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.434 4.943 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.811 3.292 10.470 1.00 0.00 H new ATOM 1306 N GLY A 85 10.332 8.596 9.165 1.00 0.00 N ATOM 1307 CA GLY A 85 9.059 9.368 9.258 1.00 0.00 C ATOM 1308 C GLY A 85 8.170 9.040 8.058 1.00 0.00 C ATOM 1309 O GLY A 85 8.150 7.925 7.574 1.00 0.00 O ATOM 0 H GLY A 85 10.426 7.834 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.541 9.123 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.271 10.437 9.284 1.00 0.00 H new ATOM 1313 N GLN A 86 7.433 10.002 7.572 1.00 0.00 N ATOM 1314 CA GLN A 86 6.546 9.743 6.402 1.00 0.00 C ATOM 1315 C GLN A 86 5.549 8.634 6.724 1.00 0.00 C ATOM 1316 O GLN A 86 4.412 8.872 7.080 1.00 0.00 O ATOM 1317 CB GLN A 86 7.478 9.266 5.285 1.00 0.00 C ATOM 1318 CG GLN A 86 7.806 10.428 4.353 1.00 0.00 C ATOM 1319 CD GLN A 86 8.230 11.645 5.176 1.00 0.00 C ATOM 1320 OE1 GLN A 86 7.585 12.675 5.139 1.00 0.00 O ATOM 1321 NE2 GLN A 86 9.297 11.570 5.924 1.00 0.00 N ATOM 0 H GLN A 86 7.407 10.955 7.934 1.00 0.00 H new ATOM 0 HA GLN A 86 5.980 10.633 6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.395 8.861 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.005 8.460 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.605 10.143 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.937 10.674 3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.838 10.706 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.590 12.375 6.477 1.00 0.00 H new ATOM 1330 N MET A 87 5.985 7.420 6.577 1.00 0.00 N ATOM 1331 CA MET A 87 5.113 6.251 6.836 1.00 0.00 C ATOM 1332 C MET A 87 5.400 5.683 8.231 1.00 0.00 C ATOM 1333 O MET A 87 5.506 4.488 8.423 1.00 0.00 O ATOM 1334 CB MET A 87 5.525 5.283 5.739 1.00 0.00 C ATOM 1335 CG MET A 87 4.297 4.905 4.910 1.00 0.00 C ATOM 1336 SD MET A 87 4.763 4.807 3.166 1.00 0.00 S ATOM 1337 CE MET A 87 5.439 6.480 3.033 1.00 0.00 C ATOM 0 H MET A 87 6.932 7.185 6.281 1.00 0.00 H new ATOM 0 HA MET A 87 4.046 6.473 6.823 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.282 5.739 5.101 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.972 4.390 6.175 1.00 0.00 H new ATOM 0 HG2 MET A 87 3.897 3.948 5.246 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.509 5.646 5.047 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.860 7.049 2.306 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.386 6.972 4.004 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.478 6.428 2.709 1.00 0.00 H new ATOM 1347 N GLN A 88 5.530 6.547 9.203 1.00 0.00 N ATOM 1348 CA GLN A 88 5.816 6.094 10.597 1.00 0.00 C ATOM 1349 C GLN A 88 6.820 4.929 10.598 1.00 0.00 C ATOM 1350 O GLN A 88 7.760 4.917 9.829 1.00 0.00 O ATOM 1351 CB GLN A 88 4.458 5.682 11.173 1.00 0.00 C ATOM 1352 CG GLN A 88 4.381 6.100 12.643 1.00 0.00 C ATOM 1353 CD GLN A 88 3.696 4.997 13.453 1.00 0.00 C ATOM 1354 OE1 GLN A 88 4.243 4.509 14.421 1.00 0.00 O ATOM 1355 NE2 GLN A 88 2.511 4.582 13.095 1.00 0.00 N ATOM 0 H GLN A 88 5.449 7.557 9.090 1.00 0.00 H new ATOM 0 HA GLN A 88 6.276 6.877 11.200 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.653 6.152 10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.324 4.604 11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.382 6.283 13.033 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.826 7.033 12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.051 4.992 12.282 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.045 3.848 13.628 1.00 0.00 H new ATOM 1364 N LYS A 89 6.661 3.972 11.478 1.00 0.00 N ATOM 1365 CA LYS A 89 7.651 2.848 11.540 1.00 0.00 C ATOM 1366 C LYS A 89 7.118 1.486 11.026 1.00 0.00 C ATOM 1367 O LYS A 89 7.908 0.585 10.825 1.00 0.00 O ATOM 1368 CB LYS A 89 8.011 2.744 13.020 1.00 0.00 C ATOM 1369 CG LYS A 89 8.914 3.918 13.405 1.00 0.00 C ATOM 1370 CD LYS A 89 8.897 4.100 14.924 1.00 0.00 C ATOM 1371 CE LYS A 89 9.498 5.462 15.279 1.00 0.00 C ATOM 1372 NZ LYS A 89 8.553 6.052 16.267 1.00 0.00 N ATOM 0 H LYS A 89 5.897 3.918 12.151 1.00 0.00 H new ATOM 0 HA LYS A 89 8.495 3.064 10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.106 2.752 13.628 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.519 1.800 13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.932 3.735 13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.572 4.830 12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.875 4.032 15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.466 3.303 15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.497 5.355 15.703 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.592 6.094 14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.897 6.989 16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.613 6.148 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.489 5.432 17.099 1.00 0.00 H new ATOM 1386 N PRO A 90 5.827 1.343 10.824 1.00 0.00 N ATOM 1387 CA PRO A 90 5.304 0.045 10.336 1.00 0.00 C ATOM 1388 C PRO A 90 5.619 -0.101 8.849 1.00 0.00 C ATOM 1389 O PRO A 90 6.254 -1.047 8.421 1.00 0.00 O ATOM 1390 CB PRO A 90 3.802 0.142 10.574 1.00 0.00 C ATOM 1391 CG PRO A 90 3.502 1.606 10.581 1.00 0.00 C ATOM 1392 CD PRO A 90 4.759 2.325 11.005 1.00 0.00 C ATOM 0 HA PRO A 90 5.741 -0.819 10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.245 -0.371 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.522 -0.322 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.186 1.937 9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.684 1.826 11.267 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.931 3.214 10.398 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.696 2.655 12.042 1.00 0.00 H new ATOM 1400 N PHE A 91 5.196 0.841 8.057 1.00 0.00 N ATOM 1401 CA PHE A 91 5.489 0.768 6.603 1.00 0.00 C ATOM 1402 C PHE A 91 6.989 0.925 6.382 1.00 0.00 C ATOM 1403 O PHE A 91 7.638 0.086 5.794 1.00 0.00 O ATOM 1404 CB PHE A 91 4.731 1.948 5.979 1.00 0.00 C ATOM 1405 CG PHE A 91 5.043 2.040 4.494 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.356 2.257 4.047 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.016 1.872 3.560 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.638 2.298 2.690 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.304 1.925 2.185 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.616 2.134 1.753 1.00 0.00 C ATOM 0 H PHE A 91 4.661 1.657 8.354 1.00 0.00 H new ATOM 0 HA PHE A 91 5.187 -0.182 6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.659 1.821 6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.013 2.876 6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.152 2.393 4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.003 1.702 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.653 2.458 2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.511 1.804 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.839 2.169 0.697 1.00 0.00 H new ATOM 1420 N GLU A 92 7.535 2.022 6.823 1.00 0.00 N ATOM 1421 CA GLU A 92 8.989 2.276 6.619 1.00 0.00 C ATOM 1422 C GLU A 92 9.793 0.995 6.832 1.00 0.00 C ATOM 1423 O GLU A 92 10.411 0.482 5.920 1.00 0.00 O ATOM 1424 CB GLU A 92 9.355 3.334 7.661 1.00 0.00 C ATOM 1425 CG GLU A 92 10.875 3.498 7.719 1.00 0.00 C ATOM 1426 CD GLU A 92 11.424 2.742 8.930 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.751 2.723 9.947 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.509 2.195 8.819 1.00 0.00 O ATOM 0 H GLU A 92 7.034 2.759 7.319 1.00 0.00 H new ATOM 0 HA GLU A 92 9.211 2.612 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.887 4.285 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.974 3.042 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.328 3.117 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.135 4.554 7.788 1.00 0.00 H new ATOM 1435 N GLU A 93 9.787 0.469 8.021 1.00 0.00 N ATOM 1436 CA GLU A 93 10.552 -0.785 8.269 1.00 0.00 C ATOM 1437 C GLU A 93 10.153 -1.838 7.231 1.00 0.00 C ATOM 1438 O GLU A 93 10.915 -2.726 6.906 1.00 0.00 O ATOM 1439 CB GLU A 93 10.164 -1.227 9.682 1.00 0.00 C ATOM 1440 CG GLU A 93 8.759 -1.830 9.673 1.00 0.00 C ATOM 1441 CD GLU A 93 8.482 -2.495 11.023 1.00 0.00 C ATOM 1442 OE1 GLU A 93 8.850 -1.918 12.033 1.00 0.00 O ATOM 1443 OE2 GLU A 93 7.908 -3.572 11.024 1.00 0.00 O ATOM 0 H GLU A 93 9.291 0.847 8.828 1.00 0.00 H new ATOM 0 HA GLU A 93 11.630 -0.644 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.881 -1.960 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.199 -0.375 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.019 -1.053 9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.671 -2.562 8.870 1.00 0.00 H new ATOM 1450 N ALA A 94 8.962 -1.736 6.703 1.00 0.00 N ATOM 1451 CA ALA A 94 8.510 -2.720 5.677 1.00 0.00 C ATOM 1452 C ALA A 94 9.340 -2.575 4.404 1.00 0.00 C ATOM 1453 O ALA A 94 9.894 -3.530 3.897 1.00 0.00 O ATOM 1454 CB ALA A 94 7.054 -2.352 5.391 1.00 0.00 C ATOM 0 H ALA A 94 8.282 -1.013 6.938 1.00 0.00 H new ATOM 0 HA ALA A 94 8.619 -3.748 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.647 -3.032 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.472 -2.432 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.004 -1.329 5.017 1.00 0.00 H new ATOM 1460 N THR A 95 9.428 -1.384 3.884 1.00 0.00 N ATOM 1461 CA THR A 95 10.221 -1.173 2.643 1.00 0.00 C ATOM 1462 C THR A 95 11.699 -1.417 2.942 1.00 0.00 C ATOM 1463 O THR A 95 12.467 -1.803 2.084 1.00 0.00 O ATOM 1464 CB THR A 95 9.975 0.286 2.257 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.594 0.582 2.399 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.400 0.511 0.804 1.00 0.00 C ATOM 0 H THR A 95 8.985 -0.548 4.265 1.00 0.00 H new ATOM 0 HA THR A 95 9.937 -1.850 1.837 1.00 0.00 H new ATOM 0 HB THR A 95 10.557 0.938 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.474 1.253 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.224 1.551 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.460 0.281 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.819 -0.139 0.150 1.00 0.00 H new ATOM 1474 N TYR A 96 12.094 -1.203 4.166 1.00 0.00 N ATOM 1475 CA TYR A 96 13.516 -1.429 4.549 1.00 0.00 C ATOM 1476 C TYR A 96 13.759 -2.925 4.766 1.00 0.00 C ATOM 1477 O TYR A 96 14.864 -3.414 4.638 1.00 0.00 O ATOM 1478 CB TYR A 96 13.691 -0.677 5.869 1.00 0.00 C ATOM 1479 CG TYR A 96 14.098 0.753 5.602 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.308 1.033 4.954 1.00 0.00 C ATOM 1481 CD2 TYR A 96 13.266 1.800 6.013 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.682 2.363 4.716 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.641 3.128 5.776 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.849 3.409 5.128 1.00 0.00 C ATOM 1485 OH TYR A 96 15.218 4.718 4.896 1.00 0.00 O ATOM 0 H TYR A 96 11.490 -0.880 4.922 1.00 0.00 H new ATOM 0 HA TYR A 96 14.213 -1.088 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.760 -0.699 6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.447 -1.170 6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.952 0.225 4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.334 1.584 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.613 2.580 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.998 3.936 6.093 1.00 0.00 H new ATOM 0 HH TYR A 96 15.921 4.744 4.214 1.00 0.00 H new ATOM 1495 N ALA A 97 12.729 -3.646 5.109 1.00 0.00 N ATOM 1496 CA ALA A 97 12.881 -5.109 5.356 1.00 0.00 C ATOM 1497 C ALA A 97 12.585 -5.912 4.084 1.00 0.00 C ATOM 1498 O ALA A 97 12.826 -7.101 4.024 1.00 0.00 O ATOM 1499 CB ALA A 97 11.846 -5.424 6.439 1.00 0.00 C ATOM 0 H ALA A 97 11.783 -3.284 5.230 1.00 0.00 H new ATOM 0 HA ALA A 97 13.895 -5.372 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.888 -6.485 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.063 -4.837 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.850 -5.175 6.074 1.00 0.00 H new ATOM 1505 N LEU A 98 12.058 -5.280 3.071 1.00 0.00 N ATOM 1506 CA LEU A 98 11.743 -6.027 1.816 1.00 0.00 C ATOM 1507 C LEU A 98 12.989 -6.166 0.938 1.00 0.00 C ATOM 1508 O LEU A 98 13.947 -5.431 1.075 1.00 0.00 O ATOM 1509 CB LEU A 98 10.685 -5.187 1.101 1.00 0.00 C ATOM 1510 CG LEU A 98 9.837 -6.098 0.212 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.390 -6.084 0.703 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.889 -5.597 -1.233 1.00 0.00 C ATOM 0 H LEU A 98 11.832 -4.285 3.056 1.00 0.00 H new ATOM 0 HA LEU A 98 11.392 -7.037 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.053 -4.679 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.163 -4.414 0.499 1.00 0.00 H new ATOM 0 HG LEU A 98 10.228 -7.114 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.785 -6.733 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.351 -6.442 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.000 -5.067 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.284 -6.247 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.499 -4.580 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.921 -5.606 -1.584 1.00 0.00 H new ATOM 1524 N LYS A 99 12.976 -7.106 0.030 1.00 0.00 N ATOM 1525 CA LYS A 99 14.150 -7.302 -0.867 1.00 0.00 C ATOM 1526 C LYS A 99 13.780 -6.909 -2.306 1.00 0.00 C ATOM 1527 O LYS A 99 13.795 -5.747 -2.660 1.00 0.00 O ATOM 1528 CB LYS A 99 14.473 -8.795 -0.764 1.00 0.00 C ATOM 1529 CG LYS A 99 15.680 -9.123 -1.643 1.00 0.00 C ATOM 1530 CD LYS A 99 16.962 -8.938 -0.828 1.00 0.00 C ATOM 1531 CE LYS A 99 18.020 -9.941 -1.296 1.00 0.00 C ATOM 1532 NZ LYS A 99 19.252 -9.572 -0.545 1.00 0.00 N ATOM 0 H LYS A 99 12.199 -7.748 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 99 15.005 -6.687 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.683 -9.061 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.612 -9.386 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.611 -10.148 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.695 -8.474 -2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.335 -7.920 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.754 -9.082 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.717 -10.965 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.178 -9.876 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.026 -10.214 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.519 -8.594 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.072 -9.650 0.476 1.00 0.00 H new ATOM 1546 N VAL A 100 13.440 -7.861 -3.135 1.00 0.00 N ATOM 1547 CA VAL A 100 13.064 -7.526 -4.541 1.00 0.00 C ATOM 1548 C VAL A 100 11.763 -8.239 -4.918 1.00 0.00 C ATOM 1549 O VAL A 100 10.739 -7.619 -5.127 1.00 0.00 O ATOM 1550 CB VAL A 100 14.225 -8.032 -5.402 1.00 0.00 C ATOM 1551 CG1 VAL A 100 13.774 -8.149 -6.860 1.00 0.00 C ATOM 1552 CG2 VAL A 100 15.392 -7.046 -5.316 1.00 0.00 C ATOM 0 H VAL A 100 13.406 -8.853 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 100 12.897 -6.458 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 100 14.541 -9.010 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.603 -8.509 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.942 -8.850 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.456 -7.171 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.218 -7.406 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 100 15.071 -6.069 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.719 -6.959 -4.280 1.00 0.00 H new ATOM 1562 N GLY A 101 11.800 -9.538 -5.007 1.00 0.00 N ATOM 1563 CA GLY A 101 10.570 -10.298 -5.372 1.00 0.00 C ATOM 1564 C GLY A 101 9.750 -10.582 -4.114 1.00 0.00 C ATOM 1565 O GLY A 101 9.445 -11.716 -3.802 1.00 0.00 O ATOM 0 H GLY A 101 12.629 -10.109 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.975 -9.726 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.840 -11.234 -5.861 1.00 0.00 H new ATOM 1569 N ASP A 102 9.389 -9.560 -3.393 1.00 0.00 N ATOM 1570 CA ASP A 102 8.586 -9.768 -2.153 1.00 0.00 C ATOM 1571 C ASP A 102 7.218 -9.099 -2.292 1.00 0.00 C ATOM 1572 O ASP A 102 6.224 -9.579 -1.784 1.00 0.00 O ATOM 1573 CB ASP A 102 9.395 -9.106 -1.037 1.00 0.00 C ATOM 1574 CG ASP A 102 10.390 -10.116 -0.462 1.00 0.00 C ATOM 1575 OD1 ASP A 102 9.989 -11.245 -0.228 1.00 0.00 O ATOM 1576 OD2 ASP A 102 11.535 -9.745 -0.267 1.00 0.00 O ATOM 0 H ASP A 102 9.614 -8.588 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 102 8.405 -10.824 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.926 -8.236 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.728 -8.749 -0.252 1.00 0.00 H new ATOM 1581 N ILE A 103 7.163 -7.990 -2.973 1.00 0.00 N ATOM 1582 CA ILE A 103 5.865 -7.278 -3.145 1.00 0.00 C ATOM 1583 C ILE A 103 5.256 -6.950 -1.779 1.00 0.00 C ATOM 1584 O ILE A 103 4.093 -6.615 -1.678 1.00 0.00 O ATOM 1585 CB ILE A 103 4.966 -8.252 -3.911 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.611 -8.595 -5.258 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.602 -7.599 -4.150 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.585 -9.290 -6.161 1.00 0.00 C ATOM 0 H ILE A 103 7.964 -7.543 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 103 5.985 -6.334 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 103 4.838 -9.165 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.977 -7.688 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.473 -9.244 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.959 -8.289 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.143 -7.355 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.732 -6.687 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.047 -9.532 -7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.241 -10.207 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.737 -8.626 -6.326 1.00 0.00 H new ATOM 1600 N SER A 104 6.033 -7.039 -0.729 1.00 0.00 N ATOM 1601 CA SER A 104 5.502 -6.731 0.633 1.00 0.00 C ATOM 1602 C SER A 104 4.337 -7.664 0.976 1.00 0.00 C ATOM 1603 O SER A 104 4.468 -8.565 1.781 1.00 0.00 O ATOM 1604 CB SER A 104 5.036 -5.278 0.558 1.00 0.00 C ATOM 1605 OG SER A 104 3.951 -5.082 1.453 1.00 0.00 O ATOM 0 H SER A 104 7.015 -7.313 -0.757 1.00 0.00 H new ATOM 0 HA SER A 104 6.252 -6.874 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.857 -4.608 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.730 -5.035 -0.460 1.00 0.00 H new ATOM 0 HG SER A 104 4.193 -5.422 2.340 1.00 0.00 H new ATOM 1611 N ASP A 105 3.202 -7.455 0.369 1.00 0.00 N ATOM 1612 CA ASP A 105 2.018 -8.324 0.645 1.00 0.00 C ATOM 1613 C ASP A 105 1.438 -8.017 2.028 1.00 0.00 C ATOM 1614 O ASP A 105 2.136 -8.022 3.022 1.00 0.00 O ATOM 1615 CB ASP A 105 2.542 -9.762 0.587 1.00 0.00 C ATOM 1616 CG ASP A 105 1.385 -10.715 0.283 1.00 0.00 C ATOM 1617 OD1 ASP A 105 0.271 -10.236 0.143 1.00 0.00 O ATOM 1618 OD2 ASP A 105 1.631 -11.906 0.193 1.00 0.00 O ATOM 0 H ASP A 105 3.040 -6.714 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 105 1.218 -8.158 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 105 3.311 -9.850 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.008 -10.029 1.536 1.00 0.00 H new ATOM 1623 N ILE A 106 0.161 -7.755 2.094 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.481 -7.452 3.410 1.00 0.00 C ATOM 1625 C ILE A 106 0.312 -6.370 4.152 1.00 0.00 C ATOM 1626 O ILE A 106 1.361 -6.625 4.708 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.479 -8.766 4.217 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.173 -9.974 3.311 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.856 -8.956 4.856 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.577 -11.271 4.019 1.00 0.00 C ATOM 0 H ILE A 106 -0.469 -7.737 1.292 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.496 -7.078 3.274 1.00 0.00 H new ATOM 0 HB ILE A 106 0.295 -8.704 4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.714 -9.880 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.889 -9.998 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.866 -9.883 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.069 -8.117 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.616 -9.004 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.358 -12.121 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.017 -11.368 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.644 -11.248 4.239 1.00 0.00 H new ATOM 1642 N VAL A 107 -0.187 -5.164 4.169 1.00 0.00 N ATOM 1643 CA VAL A 107 0.531 -4.065 4.878 1.00 0.00 C ATOM 1644 C VAL A 107 -0.441 -3.303 5.781 1.00 0.00 C ATOM 1645 O VAL A 107 -0.541 -2.094 5.723 1.00 0.00 O ATOM 1646 CB VAL A 107 1.061 -3.153 3.773 1.00 0.00 C ATOM 1647 CG1 VAL A 107 1.997 -2.108 4.381 1.00 0.00 C ATOM 1648 CG2 VAL A 107 1.832 -3.990 2.751 1.00 0.00 C ATOM 0 H VAL A 107 -1.062 -4.891 3.722 1.00 0.00 H new ATOM 0 HA VAL A 107 1.334 -4.439 5.513 1.00 0.00 H new ATOM 0 HB VAL A 107 0.226 -2.653 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.376 -1.457 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.451 -1.513 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.832 -2.609 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.211 -3.341 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.667 -4.488 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.168 -4.738 2.318 1.00 0.00 H new ATOM 1658 N ASP A 108 -1.158 -4.004 6.614 1.00 0.00 N ATOM 1659 CA ASP A 108 -2.129 -3.326 7.523 1.00 0.00 C ATOM 1660 C ASP A 108 -1.493 -2.089 8.163 1.00 0.00 C ATOM 1661 O ASP A 108 -0.743 -2.183 9.114 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.477 -4.372 8.585 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.210 -5.112 9.021 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.322 -4.464 9.550 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.149 -6.313 8.817 1.00 0.00 O ATOM 0 H ASP A 108 -1.115 -5.019 6.706 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.015 -2.978 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.941 -3.889 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.203 -5.080 8.186 1.00 0.00 H new ATOM 1670 N THR A 109 -1.797 -0.927 7.648 1.00 0.00 N ATOM 1671 CA THR A 109 -1.225 0.326 8.220 1.00 0.00 C ATOM 1672 C THR A 109 -2.291 1.422 8.203 1.00 0.00 C ATOM 1673 O THR A 109 -3.467 1.146 8.073 1.00 0.00 O ATOM 1674 CB THR A 109 -0.066 0.698 7.292 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.485 0.563 5.939 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.127 -0.224 7.562 1.00 0.00 C ATOM 0 H THR A 109 -2.420 -0.792 6.852 1.00 0.00 H new ATOM 0 HA THR A 109 -0.892 0.203 9.251 1.00 0.00 H new ATOM 0 HB THR A 109 0.233 1.730 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.324 -0.355 5.637 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.951 0.043 6.900 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.445 -0.114 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.836 -1.258 7.380 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.897 2.661 8.320 1.00 0.00 N ATOM 1685 CA ASP A 110 -2.909 3.754 8.291 1.00 0.00 C ATOM 1686 C ASP A 110 -3.887 3.498 7.144 1.00 0.00 C ATOM 1687 O ASP A 110 -3.578 2.785 6.210 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.110 5.036 8.053 1.00 0.00 C ATOM 1689 CG ASP A 110 -1.961 5.798 9.371 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -1.585 5.178 10.352 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -2.225 6.989 9.377 1.00 0.00 O ATOM 0 H ASP A 110 -0.929 2.961 8.433 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.492 3.819 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.127 4.794 7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.615 5.660 7.315 1.00 0.00 H new ATOM 1696 N SER A 111 -5.066 4.051 7.207 1.00 0.00 N ATOM 1697 CA SER A 111 -6.062 3.812 6.117 1.00 0.00 C ATOM 1698 C SER A 111 -6.547 2.362 6.163 1.00 0.00 C ATOM 1699 O SER A 111 -7.725 2.092 6.286 1.00 0.00 O ATOM 1700 CB SER A 111 -5.317 4.077 4.807 1.00 0.00 C ATOM 1701 OG SER A 111 -4.449 5.190 4.972 1.00 0.00 O ATOM 0 H SER A 111 -5.386 4.657 7.963 1.00 0.00 H new ATOM 0 HA SER A 111 -6.936 4.455 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.745 3.196 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.029 4.273 4.005 1.00 0.00 H new ATOM 0 HG SER A 111 -3.931 5.326 4.151 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.643 1.430 6.062 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.036 -0.006 6.095 1.00 0.00 C ATOM 1709 C GLY A 112 -4.834 -0.861 5.695 1.00 0.00 C ATOM 1710 O GLY A 112 -3.711 -0.579 6.064 1.00 0.00 O ATOM 0 H GLY A 112 -4.643 1.601 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.377 -0.280 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.868 -0.184 5.414 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.054 -1.900 4.938 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.915 -2.761 4.514 1.00 0.00 C ATOM 1716 C VAL A 113 -3.476 -2.388 3.098 1.00 0.00 C ATOM 1717 O VAL A 113 -4.267 -2.361 2.176 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.458 -4.189 4.552 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.920 -4.524 5.969 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.642 -4.308 3.597 1.00 0.00 C ATOM 0 H VAL A 113 -5.970 -2.189 4.596 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.044 -2.644 5.159 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.672 -4.882 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.307 -5.543 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.078 -4.439 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.705 -3.830 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.030 -5.326 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.425 -3.613 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.318 -4.070 2.584 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.219 -2.095 2.921 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.729 -1.718 1.567 1.00 0.00 C ATOM 1732 C HIS A 114 -0.759 -2.775 1.035 1.00 0.00 C ATOM 1733 O HIS A 114 -0.485 -3.769 1.675 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.982 -0.395 1.762 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.812 0.558 2.575 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -2.115 1.835 2.128 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.392 0.446 3.813 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.846 2.436 3.083 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -3.045 1.634 4.133 1.00 0.00 N ATOM 0 H HIS A 114 -1.510 -2.100 3.654 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.549 -1.635 0.854 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.031 -0.577 2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.753 0.047 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.349 -0.430 4.443 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.226 3.444 3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.563 1.846 4.985 1.00 0.00 H new ATOM 1747 N ILE A 115 -0.220 -2.538 -0.123 1.00 0.00 N ATOM 1748 CA ILE A 115 0.767 -3.486 -0.714 1.00 0.00 C ATOM 1749 C ILE A 115 1.932 -2.645 -1.236 1.00 0.00 C ATOM 1750 O ILE A 115 1.762 -1.479 -1.522 1.00 0.00 O ATOM 1751 CB ILE A 115 0.034 -4.248 -1.852 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.425 -3.679 -3.223 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.486 -4.138 -1.683 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.439 -4.317 -4.312 1.00 0.00 C ATOM 0 H ILE A 115 -0.422 -1.718 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 115 1.157 -4.215 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 115 0.331 -5.295 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.294 -2.597 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.479 -3.874 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.982 -4.678 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.778 -4.569 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.781 -3.089 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.158 -3.911 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.286 -5.396 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.489 -4.100 -4.117 1.00 0.00 H new ATOM 1766 N ILE A 116 3.109 -3.190 -1.349 1.00 0.00 N ATOM 1767 CA ILE A 116 4.240 -2.350 -1.839 1.00 0.00 C ATOM 1768 C ILE A 116 5.150 -3.122 -2.796 1.00 0.00 C ATOM 1769 O ILE A 116 5.115 -4.334 -2.877 1.00 0.00 O ATOM 1770 CB ILE A 116 5.014 -1.955 -0.583 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.211 -0.925 0.214 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.358 -1.348 -0.984 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.325 -1.240 1.705 1.00 0.00 C ATOM 0 H ILE A 116 3.337 -4.160 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 116 3.874 -1.489 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 116 5.180 -2.840 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.585 0.079 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.166 -0.944 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.911 -1.066 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.933 -2.080 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.189 -0.465 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.754 -0.508 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.931 -2.238 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.372 -1.199 2.007 1.00 0.00 H new ATOM 1785 N LYS A 117 5.975 -2.407 -3.511 1.00 0.00 N ATOM 1786 CA LYS A 117 6.918 -3.055 -4.467 1.00 0.00 C ATOM 1787 C LYS A 117 7.985 -2.040 -4.890 1.00 0.00 C ATOM 1788 O LYS A 117 7.680 -0.998 -5.436 1.00 0.00 O ATOM 1789 CB LYS A 117 6.058 -3.476 -5.661 1.00 0.00 C ATOM 1790 CG LYS A 117 5.337 -2.254 -6.230 1.00 0.00 C ATOM 1791 CD LYS A 117 4.346 -2.699 -7.308 1.00 0.00 C ATOM 1792 CE LYS A 117 5.101 -3.392 -8.446 1.00 0.00 C ATOM 1793 NZ LYS A 117 5.953 -2.329 -9.048 1.00 0.00 N ATOM 0 H LYS A 117 6.037 -1.390 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 117 7.437 -3.911 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.683 -3.933 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.332 -4.228 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.812 -1.726 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 117 6.060 -1.556 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.609 -3.379 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.800 -1.837 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.706 -4.218 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.412 -3.808 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.134 -2.554 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.464 -1.414 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.856 -2.276 -8.535 1.00 0.00 H new ATOM 1807 N ARG A 118 9.232 -2.326 -4.627 1.00 0.00 N ATOM 1808 CA ARG A 118 10.310 -1.364 -5.002 1.00 0.00 C ATOM 1809 C ARG A 118 11.260 -1.988 -6.029 1.00 0.00 C ATOM 1810 O ARG A 118 11.154 -1.745 -7.215 1.00 0.00 O ATOM 1811 CB ARG A 118 11.053 -1.076 -3.695 1.00 0.00 C ATOM 1812 CG ARG A 118 12.358 -0.334 -3.997 1.00 0.00 C ATOM 1813 CD ARG A 118 13.108 -0.069 -2.690 1.00 0.00 C ATOM 1814 NE ARG A 118 14.531 0.113 -3.090 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.462 0.181 -2.177 1.00 0.00 C ATOM 1816 NH1 ARG A 118 15.608 -0.793 -1.320 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.247 1.221 -2.119 1.00 0.00 N ATOM 0 H ARG A 118 9.551 -3.181 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 118 9.908 -0.459 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.427 -0.477 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.266 -2.009 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.978 -0.926 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.145 0.607 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.723 0.818 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.997 -0.902 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 118 14.778 0.185 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.995 -1.607 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.335 -0.740 -0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.134 1.983 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.974 1.272 -1.405 1.00 0.00 H new ATOM 1831 N THR A 119 12.194 -2.784 -5.580 1.00 0.00 N ATOM 1832 CA THR A 119 13.160 -3.419 -6.526 1.00 0.00 C ATOM 1833 C THR A 119 12.421 -4.280 -7.552 1.00 0.00 C ATOM 1834 O THR A 119 11.216 -4.206 -7.689 1.00 0.00 O ATOM 1835 CB THR A 119 14.065 -4.293 -5.652 1.00 0.00 C ATOM 1836 OG1 THR A 119 13.773 -4.063 -4.280 1.00 0.00 O ATOM 1837 CG2 THR A 119 15.529 -3.948 -5.928 1.00 0.00 C ATOM 0 H THR A 119 12.330 -3.023 -4.598 1.00 0.00 H new ATOM 0 HA THR A 119 13.726 -2.675 -7.086 1.00 0.00 H new ATOM 0 HB THR A 119 13.888 -5.343 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.137 -4.796 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 119 16.173 -4.570 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 119 15.754 -4.130 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 119 15.705 -2.898 -5.696 1.00 0.00 H new ATOM 1845 N ALA A 120 13.138 -5.099 -8.273 1.00 0.00 N ATOM 1846 CA ALA A 120 12.484 -5.970 -9.292 1.00 0.00 C ATOM 1847 C ALA A 120 11.925 -5.119 -10.436 1.00 0.00 C ATOM 1848 O ALA A 120 11.108 -5.631 -11.185 1.00 0.00 O ATOM 1849 CB ALA A 120 11.353 -6.677 -8.544 1.00 0.00 C ATOM 1850 OXT ALA A 120 12.324 -3.971 -10.545 1.00 0.00 O ATOM 0 H ALA A 120 14.150 -5.203 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 120 13.182 -6.679 -9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.822 -7.339 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.769 -7.262 -7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.661 -5.935 -8.146 1.00 0.00 H new