USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 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 42 CYS SG : rot 89:sc= -1.34 USER MOD Set 1.2: A 106 LYS NZ :NH3+ 167:sc= 0.399 (180deg=-0.0307) USER MOD Set 2.1: A 31 ASN : amide:sc= 0.0736 K(o=0.013,f=-6.5!) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.0609 K(o=0.013,f=-0.6) USER MOD Single : A 13 SER OG : rot -157:sc= 1.57 USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 1.7 (180deg=1.7) USER MOD Single : A 20 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0174 (180deg=-0.14) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.442 F(o=-1.5!,f=-0.44) USER MOD Single : A 30 MET CE :methyl -179:sc= -3.45 (180deg=-3.48) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 74:sc= -0.0531 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.042) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= -0.0452 (180deg=-0.252) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 0.915 (180deg=-0.709) 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= 0.3! C(o=0.3!,f=-7.1!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0.375 (180deg=0.365) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -78:sc= 0.659 USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.192) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc=-0.000202 (180deg=-0.0772) USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= -0.073 (180deg=-0.45) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -132:sc= 1.3 (180deg=0.369) USER MOD Single : A 100 CYS SG : rot 89:sc= 0.25 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.0219 F(o=-1.1,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 12.979 0.943 1.214 1.00 0.00 N ATOM 78 CA ILE A 7 13.281 -0.440 1.617 1.00 0.00 C ATOM 79 C ILE A 7 12.950 -1.445 0.496 1.00 0.00 C ATOM 80 O ILE A 7 11.842 -1.461 -0.040 1.00 0.00 O ATOM 81 CB ILE A 7 12.531 -0.860 2.913 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.019 -0.631 2.777 1.00 0.00 C ATOM 83 CG2 ILE A 7 13.083 -0.120 4.132 1.00 0.00 C ATOM 84 CD1 ILE A 7 10.221 -1.138 3.959 1.00 0.00 C ATOM 0 HA ILE A 7 14.352 -0.461 1.816 1.00 0.00 H new ATOM 0 HB ILE A 7 12.698 -1.927 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.831 0.436 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.665 -1.124 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.540 -0.433 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 7 14.141 -0.353 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.961 0.954 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.162 -0.942 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.379 -2.211 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.547 -0.627 4.865 1.00 0.00 H new ATOM 96 N ALA A 8 13.917 -2.294 0.161 1.00 0.00 N ATOM 97 CA ALA A 8 13.738 -3.304 -0.892 1.00 0.00 C ATOM 98 C ALA A 8 12.584 -4.268 -0.572 1.00 0.00 C ATOM 99 O ALA A 8 11.902 -4.759 -1.474 1.00 0.00 O ATOM 100 CB ALA A 8 15.037 -4.074 -1.103 1.00 0.00 C ATOM 0 H ALA A 8 14.837 -2.307 0.601 1.00 0.00 H new ATOM 0 HA ALA A 8 13.477 -2.783 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.895 -4.820 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.826 -3.383 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.320 -4.571 -0.175 1.00 0.00 H new ATOM 106 N GLY A 9 12.368 -4.529 0.720 1.00 0.00 N ATOM 107 CA GLY A 9 11.261 -5.380 1.145 1.00 0.00 C ATOM 108 C GLY A 9 9.900 -4.867 0.679 1.00 0.00 C ATOM 109 O GLY A 9 8.989 -5.654 0.419 1.00 0.00 O ATOM 0 H GLY A 9 12.941 -4.166 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.415 -6.387 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.263 -5.453 2.233 1.00 0.00 H new ATOM 113 N LEU A 10 9.763 -3.544 0.572 1.00 0.00 N ATOM 114 CA LEU A 10 8.514 -2.931 0.108 1.00 0.00 C ATOM 115 C LEU A 10 8.306 -3.187 -1.391 1.00 0.00 C ATOM 116 O LEU A 10 7.203 -3.525 -1.824 1.00 0.00 O ATOM 117 CB LEU A 10 8.517 -1.423 0.391 1.00 0.00 C ATOM 118 CG LEU A 10 7.189 -0.695 0.111 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.070 -1.249 0.993 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.349 0.810 0.319 1.00 0.00 C ATOM 0 H LEU A 10 10.500 -2.876 0.800 1.00 0.00 H new ATOM 0 HA LEU A 10 7.689 -3.388 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.784 -1.267 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.299 -0.959 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 10 6.916 -0.869 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.142 -0.720 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.938 -2.311 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.332 -1.111 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.401 1.308 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.649 1.005 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.112 1.192 -0.360 1.00 0.00 H new ATOM 132 N GLU A 11 9.375 -3.029 -2.175 1.00 0.00 N ATOM 133 CA GLU A 11 9.337 -3.325 -3.613 1.00 0.00 C ATOM 134 C GLU A 11 8.922 -4.786 -3.845 1.00 0.00 C ATOM 135 O GLU A 11 8.041 -5.070 -4.658 1.00 0.00 O ATOM 136 CB GLU A 11 10.717 -3.031 -4.241 1.00 0.00 C ATOM 137 CG GLU A 11 10.751 -3.025 -5.778 1.00 0.00 C ATOM 138 CD GLU A 11 10.849 -4.413 -6.413 1.00 0.00 C ATOM 139 OE1 GLU A 11 11.441 -5.321 -5.791 1.00 0.00 O ATOM 140 OE2 GLU A 11 10.353 -4.588 -7.549 1.00 0.00 O ATOM 0 H GLU A 11 10.279 -2.697 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 11 8.596 -2.687 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.062 -2.061 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.428 -3.775 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.851 -2.533 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.600 -2.427 -6.108 1.00 0.00 H new ATOM 147 N GLU A 12 9.543 -5.702 -3.097 1.00 0.00 N ATOM 148 CA GLU A 12 9.208 -7.128 -3.175 1.00 0.00 C ATOM 149 C GLU A 12 7.721 -7.376 -2.879 1.00 0.00 C ATOM 150 O GLU A 12 7.040 -8.075 -3.623 1.00 0.00 O ATOM 151 CB GLU A 12 10.062 -7.942 -2.190 1.00 0.00 C ATOM 152 CG GLU A 12 9.768 -9.442 -2.225 1.00 0.00 C ATOM 153 CD GLU A 12 10.525 -10.226 -1.165 1.00 0.00 C ATOM 154 OE1 GLU A 12 11.743 -10.445 -1.343 1.00 0.00 O ATOM 155 OE2 GLU A 12 9.902 -10.640 -0.160 1.00 0.00 O ATOM 0 H GLU A 12 10.282 -5.482 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 12 9.419 -7.451 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.116 -7.781 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.892 -7.570 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.698 -9.599 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.025 -9.833 -3.209 1.00 0.00 H new ATOM 162 N SER A 13 7.231 -6.807 -1.779 1.00 0.00 N ATOM 163 CA SER A 13 5.832 -6.986 -1.365 1.00 0.00 C ATOM 164 C SER A 13 4.847 -6.403 -2.388 1.00 0.00 C ATOM 165 O SER A 13 3.894 -7.074 -2.795 1.00 0.00 O ATOM 166 CB SER A 13 5.596 -6.341 0.001 1.00 0.00 C ATOM 167 OG SER A 13 6.422 -6.933 0.987 1.00 0.00 O ATOM 0 H SER A 13 7.780 -6.216 -1.154 1.00 0.00 H new ATOM 0 HA SER A 13 5.651 -8.059 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.800 -5.272 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.549 -6.451 0.284 1.00 0.00 H new ATOM 0 HG SER A 13 6.026 -6.794 1.872 1.00 0.00 H new ATOM 173 N PHE A 14 5.072 -5.154 -2.796 1.00 0.00 N ATOM 174 CA PHE A 14 4.241 -4.518 -3.826 1.00 0.00 C ATOM 175 C PHE A 14 4.208 -5.376 -5.097 1.00 0.00 C ATOM 176 O PHE A 14 3.145 -5.656 -5.650 1.00 0.00 O ATOM 177 CB PHE A 14 4.774 -3.113 -4.157 1.00 0.00 C ATOM 178 CG PHE A 14 4.009 -2.420 -5.261 1.00 0.00 C ATOM 179 CD1 PHE A 14 2.805 -1.787 -4.995 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.490 -2.411 -6.564 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.097 -1.158 -6.002 1.00 0.00 C ATOM 182 CE2 PHE A 14 3.783 -1.787 -7.574 1.00 0.00 C ATOM 183 CZ PHE A 14 2.585 -1.158 -7.291 1.00 0.00 C ATOM 0 H PHE A 14 5.819 -4.562 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 14 3.227 -4.428 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.735 -2.498 -3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.822 -3.190 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.415 -1.785 -3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.427 -2.897 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.162 -0.667 -5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.166 -1.791 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.032 -0.667 -8.079 1.00 0.00 H new ATOM 193 N ARG A 15 5.384 -5.796 -5.539 1.00 0.00 N ATOM 194 CA ARG A 15 5.527 -6.640 -6.722 1.00 0.00 C ATOM 195 C ARG A 15 4.853 -8.005 -6.512 1.00 0.00 C ATOM 196 O ARG A 15 4.225 -8.552 -7.420 1.00 0.00 O ATOM 197 CB ARG A 15 7.019 -6.818 -6.997 1.00 0.00 C ATOM 198 CG ARG A 15 7.359 -7.346 -8.377 1.00 0.00 C ATOM 199 CD ARG A 15 8.864 -7.327 -8.596 1.00 0.00 C ATOM 200 NE ARG A 15 9.229 -7.487 -10.000 1.00 0.00 N ATOM 201 CZ ARG A 15 10.218 -6.848 -10.566 1.00 0.00 C ATOM 202 NH1 ARG A 15 10.910 -5.979 -9.900 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.501 -7.060 -11.808 1.00 0.00 N ATOM 0 H ARG A 15 6.269 -5.562 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 15 5.038 -6.166 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.515 -5.857 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.431 -7.499 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.982 -8.363 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.867 -6.739 -9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.270 -6.386 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.323 -8.125 -8.012 1.00 0.00 H new ATOM 0 HE ARG A 15 8.682 -8.133 -10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.685 -5.788 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.680 -5.486 -10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.952 -7.728 -12.349 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.274 -6.560 -12.248 1.00 0.00 H new ATOM 217 N LYS A 16 4.972 -8.527 -5.291 1.00 0.00 N ATOM 218 CA LYS A 16 4.414 -9.832 -4.921 1.00 0.00 C ATOM 219 C LYS A 16 2.886 -9.859 -5.126 1.00 0.00 C ATOM 220 O LYS A 16 2.338 -10.838 -5.635 1.00 0.00 O ATOM 221 CB LYS A 16 4.784 -10.144 -3.459 1.00 0.00 C ATOM 222 CG LYS A 16 4.697 -11.622 -3.080 1.00 0.00 C ATOM 223 CD LYS A 16 5.263 -11.892 -1.681 1.00 0.00 C ATOM 224 CE LYS A 16 6.716 -11.437 -1.554 1.00 0.00 C ATOM 225 NZ LYS A 16 7.318 -11.806 -0.242 1.00 0.00 N ATOM 0 H LYS A 16 5.459 -8.057 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 16 4.839 -10.600 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.799 -9.794 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.126 -9.575 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.657 -11.945 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.243 -12.217 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.655 -11.376 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.196 -12.958 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.304 -11.881 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.767 -10.356 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.318 -11.520 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.807 -11.321 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.250 -12.835 -0.106 1.00 0.00 H new ATOM 239 N PHE A 17 2.210 -8.774 -4.740 1.00 0.00 N ATOM 240 CA PHE A 17 0.764 -8.625 -4.989 1.00 0.00 C ATOM 241 C PHE A 17 0.474 -8.179 -6.436 1.00 0.00 C ATOM 242 O PHE A 17 -0.549 -8.544 -7.011 1.00 0.00 O ATOM 243 CB PHE A 17 0.144 -7.616 -4.009 1.00 0.00 C ATOM 244 CG PHE A 17 -0.224 -8.186 -2.660 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.698 -8.227 -1.621 1.00 0.00 C ATOM 246 CD2 PHE A 17 -1.507 -8.664 -2.431 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.342 -8.734 -0.382 1.00 0.00 C ATOM 248 CE2 PHE A 17 -1.868 -9.165 -1.197 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.943 -9.204 -0.171 1.00 0.00 C ATOM 0 H PHE A 17 2.635 -7.984 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 17 0.313 -9.605 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.847 -6.796 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.751 -7.191 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.701 -7.860 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.233 -8.643 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.066 -8.763 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.872 -9.526 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.222 -9.601 0.794 1.00 0.00 H new ATOM 259 N ALA A 18 1.377 -7.391 -7.019 1.00 0.00 N ATOM 260 CA ALA A 18 1.196 -6.866 -8.382 1.00 0.00 C ATOM 261 C ALA A 18 1.107 -7.987 -9.432 1.00 0.00 C ATOM 262 O ALA A 18 0.376 -7.874 -10.418 1.00 0.00 O ATOM 263 CB ALA A 18 2.329 -5.908 -8.729 1.00 0.00 C ATOM 0 H ALA A 18 2.245 -7.099 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 18 0.247 -6.330 -8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.185 -5.525 -9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.332 -5.077 -8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.281 -6.435 -8.673 1.00 0.00 H new ATOM 269 N ILE A 19 1.847 -9.070 -9.208 1.00 0.00 N ATOM 270 CA ILE A 19 1.862 -10.212 -10.133 1.00 0.00 C ATOM 271 C ILE A 19 0.877 -11.315 -9.693 1.00 0.00 C ATOM 272 O ILE A 19 0.910 -12.433 -10.203 1.00 0.00 O ATOM 273 CB ILE A 19 3.289 -10.807 -10.248 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.760 -11.352 -8.885 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.263 -9.751 -10.780 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.158 -11.938 -8.906 1.00 0.00 C ATOM 0 H ILE A 19 2.448 -9.186 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 19 1.547 -9.839 -11.107 1.00 0.00 H new ATOM 0 HB ILE A 19 3.265 -11.638 -10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.726 -10.546 -8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.061 -12.118 -8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.261 -10.182 -10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.936 -9.418 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.286 -8.901 -10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.416 -12.300 -7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.195 -12.766 -9.614 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.870 -11.170 -9.209 1.00 0.00 H new ATOM 288 N HIS A 20 -0.024 -10.974 -8.764 1.00 0.00 N ATOM 289 CA HIS A 20 -0.979 -11.941 -8.191 1.00 0.00 C ATOM 290 C HIS A 20 -1.975 -12.479 -9.241 1.00 0.00 C ATOM 291 O HIS A 20 -2.641 -13.489 -9.014 1.00 0.00 O ATOM 292 CB HIS A 20 -1.743 -11.278 -7.033 1.00 0.00 C ATOM 293 CG HIS A 20 -2.680 -12.186 -6.289 1.00 0.00 C ATOM 294 ND1 HIS A 20 -2.259 -13.073 -5.323 1.00 0.00 N ATOM 295 CD2 HIS A 20 -4.026 -12.325 -6.354 1.00 0.00 C ATOM 296 CE1 HIS A 20 -3.298 -13.714 -4.830 1.00 0.00 C ATOM 297 NE2 HIS A 20 -4.383 -13.281 -5.436 1.00 0.00 N ATOM 0 H HIS A 20 -0.115 -10.030 -8.388 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.407 -12.795 -7.826 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.020 -10.870 -6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.313 -10.437 -7.428 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.694 -11.784 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.265 -14.468 -4.058 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.333 -13.603 -5.253 1.00 0.00 H new ATOM 306 N GLY A 21 -2.089 -11.793 -10.375 1.00 0.00 N ATOM 307 CA GLY A 21 -3.007 -12.227 -11.428 1.00 0.00 C ATOM 308 C GLY A 21 -2.302 -12.863 -12.622 1.00 0.00 C ATOM 309 O GLY A 21 -2.792 -13.841 -13.191 1.00 0.00 O ATOM 0 H GLY A 21 -1.565 -10.944 -10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.715 -12.943 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.586 -11.369 -11.772 1.00 0.00 H new ATOM 313 N ASP A 22 -1.149 -12.315 -12.999 1.00 0.00 N ATOM 314 CA ASP A 22 -0.424 -12.769 -14.191 1.00 0.00 C ATOM 315 C ASP A 22 1.047 -12.310 -14.171 1.00 0.00 C ATOM 316 O ASP A 22 1.363 -11.243 -13.641 1.00 0.00 O ATOM 317 CB ASP A 22 -1.123 -12.245 -15.451 1.00 0.00 C ATOM 318 CG ASP A 22 -1.179 -10.726 -15.497 1.00 0.00 C ATOM 319 OD1 ASP A 22 -1.903 -10.124 -14.671 1.00 0.00 O ATOM 320 OD2 ASP A 22 -0.509 -10.128 -16.364 1.00 0.00 O ATOM 0 H ASP A 22 -0.693 -11.553 -12.497 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.429 -13.859 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.599 -12.613 -16.333 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.136 -12.644 -15.493 1.00 0.00 H new ATOM 325 N PRO A 23 1.964 -13.102 -14.770 1.00 0.00 N ATOM 326 CA PRO A 23 3.407 -12.778 -14.790 1.00 0.00 C ATOM 327 C PRO A 23 3.761 -11.621 -15.743 1.00 0.00 C ATOM 328 O PRO A 23 4.918 -11.213 -15.832 1.00 0.00 O ATOM 329 CB PRO A 23 4.046 -14.088 -15.271 1.00 0.00 C ATOM 330 CG PRO A 23 2.994 -14.729 -16.113 1.00 0.00 C ATOM 331 CD PRO A 23 1.678 -14.378 -15.464 1.00 0.00 C ATOM 0 HA PRO A 23 3.757 -12.437 -13.815 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.954 -13.900 -15.845 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.326 -14.725 -14.432 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.035 -14.360 -17.138 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.133 -15.809 -16.157 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.884 -14.264 -16.202 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.356 -15.151 -14.766 1.00 0.00 H new ATOM 339 N LYS A 24 2.761 -11.106 -16.461 1.00 0.00 N ATOM 340 CA LYS A 24 2.970 -9.985 -17.385 1.00 0.00 C ATOM 341 C LYS A 24 2.863 -8.643 -16.649 1.00 0.00 C ATOM 342 O LYS A 24 3.321 -7.609 -17.141 1.00 0.00 O ATOM 343 CB LYS A 24 1.963 -10.051 -18.541 1.00 0.00 C ATOM 344 CG LYS A 24 2.022 -11.363 -19.323 1.00 0.00 C ATOM 345 CD LYS A 24 3.369 -11.570 -20.012 1.00 0.00 C ATOM 346 CE LYS A 24 3.474 -12.959 -20.630 1.00 0.00 C ATOM 347 NZ LYS A 24 2.346 -13.246 -21.557 1.00 0.00 N ATOM 0 H LYS A 24 1.800 -11.445 -16.422 1.00 0.00 H new ATOM 0 HA LYS A 24 3.976 -10.064 -17.797 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.956 -9.918 -18.144 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.149 -9.221 -19.223 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.832 -12.195 -18.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.229 -11.373 -20.071 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.502 -10.815 -20.787 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.173 -11.430 -19.290 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.417 -13.045 -21.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.491 -13.707 -19.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.542 -14.123 -22.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.468 -13.358 -21.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.239 -12.458 -22.228 1.00 0.00 H new ATOM 361 N ALA A 25 2.243 -8.663 -15.470 1.00 0.00 N ATOM 362 CA ALA A 25 2.249 -7.510 -14.567 1.00 0.00 C ATOM 363 C ALA A 25 3.608 -7.398 -13.850 1.00 0.00 C ATOM 364 O ALA A 25 3.669 -7.288 -12.627 1.00 0.00 O ATOM 365 CB ALA A 25 1.106 -7.633 -13.566 1.00 0.00 C ATOM 0 H ALA A 25 1.727 -9.469 -15.115 1.00 0.00 H new ATOM 0 HA ALA A 25 2.102 -6.598 -15.146 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.115 -6.773 -12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.157 -7.667 -14.100 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.228 -8.547 -12.984 1.00 0.00 H new ATOM 371 N SER A 26 4.675 -7.365 -14.660 1.00 0.00 N ATOM 372 CA SER A 26 6.089 -7.461 -14.215 1.00 0.00 C ATOM 373 C SER A 26 6.351 -6.998 -12.767 1.00 0.00 C ATOM 374 O SER A 26 6.951 -7.725 -11.972 1.00 0.00 O ATOM 375 CB SER A 26 6.979 -6.655 -15.171 1.00 0.00 C ATOM 376 OG SER A 26 8.333 -6.640 -14.742 1.00 0.00 O ATOM 0 H SER A 26 4.586 -7.268 -15.671 1.00 0.00 H new ATOM 0 HA SER A 26 6.330 -8.524 -14.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.919 -7.083 -16.172 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.608 -5.633 -15.239 1.00 0.00 H new ATOM 0 HG SER A 26 8.871 -6.120 -15.375 1.00 0.00 H new ATOM 382 N GLY A 27 5.926 -5.785 -12.439 1.00 0.00 N ATOM 383 CA GLY A 27 6.139 -5.254 -11.097 1.00 0.00 C ATOM 384 C GLY A 27 6.328 -3.747 -11.088 1.00 0.00 C ATOM 385 O GLY A 27 7.361 -3.239 -10.654 1.00 0.00 O ATOM 0 H GLY A 27 5.437 -5.155 -13.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.287 -5.513 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.016 -5.729 -10.657 1.00 0.00 H new ATOM 389 N GLN A 28 5.330 -3.032 -11.585 1.00 0.00 N ATOM 390 CA GLN A 28 5.390 -1.566 -11.658 1.00 0.00 C ATOM 391 C GLN A 28 4.074 -0.922 -11.178 1.00 0.00 C ATOM 392 O GLN A 28 4.047 0.248 -10.804 1.00 0.00 O ATOM 393 CB GLN A 28 5.711 -1.149 -13.111 1.00 0.00 C ATOM 394 CG GLN A 28 6.302 0.257 -13.275 1.00 0.00 C ATOM 395 CD GLN A 28 5.281 1.387 -13.207 1.00 0.00 C ATOM 396 OE1 GLN A 28 4.069 1.145 -13.677 1.00 0.00 O flip ATOM 397 NE2 GLN A 28 5.590 2.486 -12.754 1.00 0.00 N flip ATOM 0 H GLN A 28 4.466 -3.436 -11.946 1.00 0.00 H new ATOM 0 HA GLN A 28 6.178 -1.210 -10.994 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.411 -1.871 -13.532 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.796 -1.211 -13.700 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.051 0.415 -12.499 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.819 0.310 -14.233 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.533 2.644 -12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.904 3.240 -12.734 1.00 0.00 H new ATOM 406 N GLU A 29 2.992 -1.706 -11.158 1.00 0.00 N ATOM 407 CA GLU A 29 1.651 -1.170 -10.891 1.00 0.00 C ATOM 408 C GLU A 29 0.717 -2.228 -10.265 1.00 0.00 C ATOM 409 O GLU A 29 0.883 -3.431 -10.486 1.00 0.00 O ATOM 410 CB GLU A 29 1.064 -0.637 -12.206 1.00 0.00 C ATOM 411 CG GLU A 29 1.148 -1.638 -13.357 1.00 0.00 C ATOM 412 CD GLU A 29 0.987 -0.991 -14.722 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.954 -0.353 -15.199 1.00 0.00 O ATOM 414 OE2 GLU A 29 -0.088 -1.135 -15.337 1.00 0.00 O ATOM 0 H GLU A 29 3.017 -2.712 -11.323 1.00 0.00 H new ATOM 0 HA GLU A 29 1.736 -0.362 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.021 -0.365 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.591 0.275 -12.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.109 -2.151 -13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.376 -2.397 -13.228 1.00 0.00 H new ATOM 421 N MET A 30 -0.259 -1.769 -9.474 1.00 0.00 N ATOM 422 CA MET A 30 -1.214 -2.667 -8.806 1.00 0.00 C ATOM 423 C MET A 30 -2.657 -2.130 -8.896 1.00 0.00 C ATOM 424 O MET A 30 -2.876 -0.920 -8.927 1.00 0.00 O ATOM 425 CB MET A 30 -0.817 -2.836 -7.335 1.00 0.00 C ATOM 426 CG MET A 30 -1.695 -3.805 -6.561 1.00 0.00 C ATOM 427 SD MET A 30 -1.280 -3.871 -4.812 1.00 0.00 S ATOM 428 CE MET A 30 0.455 -4.307 -4.902 1.00 0.00 C ATOM 0 H MET A 30 -0.410 -0.779 -9.279 1.00 0.00 H new ATOM 0 HA MET A 30 -1.183 -3.631 -9.314 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.216 -3.181 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.852 -1.862 -6.847 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.739 -3.511 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.597 -4.802 -6.992 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.858 -4.405 -3.894 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.565 -5.254 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.999 -3.528 -5.436 1.00 0.00 H new ATOM 438 N ASN A 31 -3.639 -3.036 -8.922 1.00 0.00 N ATOM 439 CA ASN A 31 -5.054 -2.646 -9.001 1.00 0.00 C ATOM 440 C ASN A 31 -5.726 -2.635 -7.616 1.00 0.00 C ATOM 441 O ASN A 31 -5.180 -3.151 -6.639 1.00 0.00 O ATOM 442 CB ASN A 31 -5.809 -3.592 -9.944 1.00 0.00 C ATOM 443 CG ASN A 31 -5.837 -5.026 -9.443 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.939 -5.473 -8.736 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.866 -5.761 -9.810 1.00 0.00 N ATOM 0 H ASN A 31 -3.483 -4.043 -8.890 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.094 -1.630 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.832 -3.235 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.342 -3.565 -10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.933 -6.732 -9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.596 -5.359 -10.398 1.00 0.00 H new ATOM 452 N GLY A 32 -6.931 -2.067 -7.551 1.00 0.00 N ATOM 453 CA GLY A 32 -7.652 -1.933 -6.284 1.00 0.00 C ATOM 454 C GLY A 32 -7.972 -3.263 -5.602 1.00 0.00 C ATOM 455 O GLY A 32 -8.010 -3.338 -4.377 1.00 0.00 O ATOM 0 H GLY A 32 -7.428 -1.693 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.058 -1.322 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.583 -1.396 -6.464 1.00 0.00 H new ATOM 459 N LYS A 33 -8.213 -4.308 -6.394 1.00 0.00 N ATOM 460 CA LYS A 33 -8.540 -5.636 -5.848 1.00 0.00 C ATOM 461 C LYS A 33 -7.382 -6.208 -5.006 1.00 0.00 C ATOM 462 O LYS A 33 -7.579 -6.604 -3.854 1.00 0.00 O ATOM 463 CB LYS A 33 -8.914 -6.596 -6.990 1.00 0.00 C ATOM 464 CG LYS A 33 -9.277 -8.009 -6.533 1.00 0.00 C ATOM 465 CD LYS A 33 -9.879 -8.837 -7.670 1.00 0.00 C ATOM 466 CE LYS A 33 -8.957 -8.898 -8.884 1.00 0.00 C ATOM 467 NZ LYS A 33 -9.548 -9.692 -9.993 1.00 0.00 N ATOM 0 H LYS A 33 -8.189 -4.267 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.396 -5.526 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.757 -6.177 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.078 -6.656 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.386 -8.508 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.988 -7.953 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.079 -9.848 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.837 -8.407 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.750 -7.886 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.003 -9.337 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.889 -9.708 -10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.722 -10.665 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.446 -9.260 -10.289 1.00 0.00 H new ATOM 481 N ASN A 34 -6.178 -6.237 -5.579 1.00 0.00 N ATOM 482 CA ASN A 34 -4.993 -6.714 -4.853 1.00 0.00 C ATOM 483 C ASN A 34 -4.601 -5.735 -3.735 1.00 0.00 C ATOM 484 O ASN A 34 -4.233 -6.152 -2.639 1.00 0.00 O ATOM 485 CB ASN A 34 -3.817 -6.919 -5.817 1.00 0.00 C ATOM 486 CG ASN A 34 -4.095 -8.003 -6.847 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.829 -8.954 -6.592 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.515 -7.866 -8.021 1.00 0.00 N ATOM 0 H ASN A 34 -5.995 -5.939 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.242 -7.672 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.603 -5.981 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.926 -7.182 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.670 -8.562 -8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.911 -7.064 -8.201 1.00 0.00 H new ATOM 495 N TRP A 35 -4.691 -4.436 -4.023 1.00 0.00 N ATOM 496 CA TRP A 35 -4.446 -3.384 -3.024 1.00 0.00 C ATOM 497 C TRP A 35 -5.357 -3.544 -1.791 1.00 0.00 C ATOM 498 O TRP A 35 -4.916 -3.392 -0.648 1.00 0.00 O ATOM 499 CB TRP A 35 -4.650 -2.004 -3.676 1.00 0.00 C ATOM 500 CG TRP A 35 -4.892 -0.878 -2.709 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.083 -0.255 -2.473 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.930 -0.242 -1.854 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.920 0.734 -1.541 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.612 0.762 -1.141 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.561 -0.416 -1.625 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.976 1.580 -0.212 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.932 0.398 -0.700 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.639 1.387 -0.007 1.00 0.00 C ATOM 0 H TRP A 35 -4.934 -4.081 -4.948 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.417 -3.473 -2.674 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.770 -1.767 -4.274 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.495 -2.063 -4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.018 -0.506 -2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.656 1.352 -1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.005 -1.172 -2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.520 2.341 0.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.877 0.268 -0.509 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.117 2.010 0.704 1.00 0.00 H new ATOM 519 N ALA A 36 -6.629 -3.860 -2.032 1.00 0.00 N ATOM 520 CA ALA A 36 -7.599 -4.063 -0.951 1.00 0.00 C ATOM 521 C ALA A 36 -7.199 -5.237 -0.047 1.00 0.00 C ATOM 522 O ALA A 36 -7.130 -5.098 1.179 1.00 0.00 O ATOM 523 CB ALA A 36 -8.995 -4.290 -1.523 1.00 0.00 C ATOM 0 H ALA A 36 -7.015 -3.982 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.607 -3.159 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.703 -4.439 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.294 -3.421 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.987 -5.173 -2.162 1.00 0.00 H new ATOM 529 N LYS A 37 -6.931 -6.395 -0.652 1.00 0.00 N ATOM 530 CA LYS A 37 -6.529 -7.577 0.117 1.00 0.00 C ATOM 531 C LYS A 37 -5.125 -7.398 0.718 1.00 0.00 C ATOM 532 O LYS A 37 -4.815 -7.977 1.754 1.00 0.00 O ATOM 533 CB LYS A 37 -6.587 -8.848 -0.748 1.00 0.00 C ATOM 534 CG LYS A 37 -6.394 -10.137 0.053 1.00 0.00 C ATOM 535 CD LYS A 37 -6.771 -11.384 -0.747 1.00 0.00 C ATOM 536 CE LYS A 37 -6.637 -12.656 0.091 1.00 0.00 C ATOM 537 NZ LYS A 37 -7.207 -13.847 -0.592 1.00 0.00 N ATOM 0 H LYS A 37 -6.984 -6.541 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.238 -7.691 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.549 -8.887 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.819 -8.789 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.354 -10.213 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.000 -10.093 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.796 -11.290 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.132 -11.459 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.584 -12.835 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.141 -12.513 1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.092 -14.683 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.218 -13.690 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.710 -14.002 -1.492 1.00 0.00 H new ATOM 551 N LEU A 38 -4.289 -6.586 0.070 1.00 0.00 N ATOM 552 CA LEU A 38 -2.952 -6.270 0.590 1.00 0.00 C ATOM 553 C LEU A 38 -3.060 -5.660 1.992 1.00 0.00 C ATOM 554 O LEU A 38 -2.493 -6.176 2.954 1.00 0.00 O ATOM 555 CB LEU A 38 -2.221 -5.306 -0.373 1.00 0.00 C ATOM 556 CG LEU A 38 -0.711 -5.072 -0.118 1.00 0.00 C ATOM 557 CD1 LEU A 38 -0.053 -4.454 -1.350 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.474 -4.173 1.098 1.00 0.00 C ATOM 0 H LEU A 38 -4.511 -6.133 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.372 -7.190 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.339 -5.686 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.725 -4.340 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.261 -6.044 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.008 -4.296 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.169 -5.126 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.527 -3.499 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.597 -4.033 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.947 -3.205 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.903 -4.640 1.985 1.00 0.00 H new ATOM 570 N CYS A 39 -3.809 -4.568 2.100 1.00 0.00 N ATOM 571 CA CYS A 39 -3.988 -3.872 3.379 1.00 0.00 C ATOM 572 C CYS A 39 -4.637 -4.776 4.441 1.00 0.00 C ATOM 573 O CYS A 39 -4.160 -4.868 5.578 1.00 0.00 O ATOM 574 CB CYS A 39 -4.836 -2.610 3.178 1.00 0.00 C ATOM 575 SG CYS A 39 -4.122 -1.420 2.018 1.00 0.00 S ATOM 0 H CYS A 39 -4.305 -4.141 1.318 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.998 -3.594 3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.824 -2.902 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.977 -2.122 4.142 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.248 -1.868 0.804 1.00 0.00 H new ATOM 581 N LYS A 40 -5.716 -5.452 4.063 1.00 0.00 N ATOM 582 CA LYS A 40 -6.475 -6.286 5.004 1.00 0.00 C ATOM 583 C LYS A 40 -5.668 -7.516 5.467 1.00 0.00 C ATOM 584 O LYS A 40 -5.669 -7.862 6.651 1.00 0.00 O ATOM 585 CB LYS A 40 -7.799 -6.719 4.357 1.00 0.00 C ATOM 586 CG LYS A 40 -8.775 -7.388 5.321 1.00 0.00 C ATOM 587 CD LYS A 40 -10.144 -7.605 4.678 1.00 0.00 C ATOM 588 CE LYS A 40 -11.142 -8.213 5.657 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.764 -9.597 6.050 1.00 0.00 N ATOM 0 H LYS A 40 -6.089 -5.443 3.114 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.683 -5.689 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.280 -5.844 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.583 -7.407 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.368 -8.346 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.885 -6.772 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.528 -6.653 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.039 -8.260 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.204 -7.587 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.134 -8.223 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.526 -10.016 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.614 -10.172 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.887 -9.572 6.609 1.00 0.00 H new ATOM 603 N ASP A 41 -4.962 -8.155 4.534 1.00 0.00 N ATOM 604 CA ASP A 41 -4.174 -9.359 4.841 1.00 0.00 C ATOM 605 C ASP A 41 -2.848 -9.006 5.548 1.00 0.00 C ATOM 606 O ASP A 41 -2.332 -9.790 6.348 1.00 0.00 O ATOM 607 CB ASP A 41 -3.910 -10.148 3.549 1.00 0.00 C ATOM 608 CG ASP A 41 -3.244 -11.488 3.796 1.00 0.00 C ATOM 609 OD1 ASP A 41 -3.861 -12.357 4.441 1.00 0.00 O ATOM 610 OD2 ASP A 41 -2.096 -11.682 3.346 1.00 0.00 O ATOM 0 H ASP A 41 -4.917 -7.862 3.558 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.750 -9.979 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.854 -10.309 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.280 -9.552 2.889 1.00 0.00 H new ATOM 615 N CYS A 42 -2.303 -7.823 5.251 1.00 0.00 N ATOM 616 CA CYS A 42 -1.080 -7.338 5.917 1.00 0.00 C ATOM 617 C CYS A 42 -1.413 -6.516 7.175 1.00 0.00 C ATOM 618 O CYS A 42 -0.519 -6.018 7.853 1.00 0.00 O ATOM 619 CB CYS A 42 -0.233 -6.498 4.950 1.00 0.00 C ATOM 620 SG CYS A 42 0.226 -7.367 3.430 1.00 0.00 S ATOM 0 H CYS A 42 -2.685 -7.181 4.556 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.506 -8.212 6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.786 -5.596 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.675 -6.178 5.462 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.700 -7.193 2.534 1.00 0.00 H new ATOM 626 N LYS A 43 -2.713 -6.361 7.462 1.00 0.00 N ATOM 627 CA LYS A 43 -3.189 -5.717 8.703 1.00 0.00 C ATOM 628 C LYS A 43 -2.945 -4.197 8.709 1.00 0.00 C ATOM 629 O LYS A 43 -2.916 -3.564 9.769 1.00 0.00 O ATOM 630 CB LYS A 43 -2.544 -6.373 9.939 1.00 0.00 C ATOM 631 CG LYS A 43 -2.795 -7.878 10.040 1.00 0.00 C ATOM 632 CD LYS A 43 -4.287 -8.201 10.098 1.00 0.00 C ATOM 633 CE LYS A 43 -4.544 -9.703 10.132 1.00 0.00 C ATOM 634 NZ LYS A 43 -5.991 -10.015 10.266 1.00 0.00 N ATOM 0 H LYS A 43 -3.464 -6.675 6.847 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.268 -5.868 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.469 -6.194 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.927 -5.889 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.347 -8.380 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.303 -8.270 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.724 -7.738 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.786 -7.767 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.157 -10.158 9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.998 -10.146 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.123 -11.046 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.355 -9.603 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.509 -9.615 9.458 1.00 0.00 H new ATOM 648 N VAL A 44 -2.794 -3.614 7.521 1.00 0.00 N ATOM 649 CA VAL A 44 -2.666 -2.158 7.377 1.00 0.00 C ATOM 650 C VAL A 44 -3.986 -1.449 7.740 1.00 0.00 C ATOM 651 O VAL A 44 -3.991 -0.300 8.181 1.00 0.00 O ATOM 652 CB VAL A 44 -2.253 -1.771 5.933 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.063 -0.261 5.799 1.00 0.00 C ATOM 654 CG2 VAL A 44 -0.984 -2.516 5.517 1.00 0.00 C ATOM 0 H VAL A 44 -2.757 -4.126 6.640 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.886 -1.833 8.065 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.060 -2.066 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.774 -0.020 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.997 0.246 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.282 0.070 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.711 -2.231 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.172 -2.259 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.163 -3.590 5.556 1.00 0.00 H new ATOM 664 N ALA A 45 -5.103 -2.147 7.542 1.00 0.00 N ATOM 665 CA ALA A 45 -6.419 -1.646 7.955 1.00 0.00 C ATOM 666 C ALA A 45 -6.728 -2.086 9.396 1.00 0.00 C ATOM 667 O ALA A 45 -6.766 -3.282 9.691 1.00 0.00 O ATOM 668 CB ALA A 45 -7.499 -2.140 6.995 1.00 0.00 C ATOM 0 H ALA A 45 -5.126 -3.064 7.097 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.406 -0.557 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.470 -1.761 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.282 -1.783 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.517 -3.230 6.997 1.00 0.00 H new ATOM 674 N ASP A 46 -6.955 -1.121 10.287 1.00 0.00 N ATOM 675 CA ASP A 46 -7.121 -1.416 11.713 1.00 0.00 C ATOM 676 C ASP A 46 -8.529 -1.934 12.045 1.00 0.00 C ATOM 677 O ASP A 46 -8.705 -3.097 12.416 1.00 0.00 O ATOM 678 CB ASP A 46 -6.820 -0.170 12.558 1.00 0.00 C ATOM 679 CG ASP A 46 -5.361 0.248 12.488 1.00 0.00 C ATOM 680 OD1 ASP A 46 -4.481 -0.587 12.799 1.00 0.00 O ATOM 681 OD2 ASP A 46 -5.086 1.417 12.152 1.00 0.00 O ATOM 0 H ASP A 46 -7.028 -0.132 10.050 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.411 -2.207 11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.447 0.655 12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.088 -0.367 13.596 1.00 0.00 H new ATOM 686 N GLY A 47 -9.531 -1.079 11.884 1.00 0.00 N ATOM 687 CA GLY A 47 -10.857 -1.371 12.391 1.00 0.00 C ATOM 688 C GLY A 47 -11.405 -0.201 13.196 1.00 0.00 C ATOM 689 O GLY A 47 -10.789 0.224 14.172 1.00 0.00 O ATOM 0 H GLY A 47 -9.447 -0.181 11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.527 -1.591 11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.822 -2.263 13.017 1.00 0.00 H new ATOM 693 N LYS A 48 -12.528 0.345 12.740 1.00 0.00 N ATOM 694 CA LYS A 48 -13.203 1.495 13.386 1.00 0.00 C ATOM 695 C LYS A 48 -12.548 2.834 13.005 1.00 0.00 C ATOM 696 O LYS A 48 -13.131 3.899 13.201 1.00 0.00 O ATOM 697 CB LYS A 48 -13.274 1.346 14.921 1.00 0.00 C ATOM 698 CG LYS A 48 -14.133 0.170 15.391 1.00 0.00 C ATOM 699 CD LYS A 48 -15.583 0.318 14.935 1.00 0.00 C ATOM 700 CE LYS A 48 -16.449 -0.846 15.402 1.00 0.00 C ATOM 701 NZ LYS A 48 -17.857 -0.695 14.947 1.00 0.00 N ATOM 0 H LYS A 48 -13.009 0.008 11.906 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.225 1.498 13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.264 1.224 15.311 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.672 2.267 15.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.721 -0.761 15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.097 0.104 16.478 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.991 1.252 15.322 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.617 0.382 13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.040 -1.781 15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.422 -0.908 16.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.419 -1.504 15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.254 0.186 15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.884 -0.661 13.908 1.00 0.00 H new ATOM 715 N SER A 49 -11.334 2.774 12.461 1.00 0.00 N ATOM 716 CA SER A 49 -10.668 3.967 11.923 1.00 0.00 C ATOM 717 C SER A 49 -10.327 3.753 10.445 1.00 0.00 C ATOM 718 O SER A 49 -11.086 4.152 9.559 1.00 0.00 O ATOM 719 CB SER A 49 -9.403 4.308 12.727 1.00 0.00 C ATOM 720 OG SER A 49 -8.728 5.430 12.180 1.00 0.00 O ATOM 0 H SER A 49 -10.789 1.916 12.379 1.00 0.00 H new ATOM 0 HA SER A 49 -11.352 4.811 12.010 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.673 4.513 13.763 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.733 3.448 12.737 1.00 0.00 H new ATOM 0 HG SER A 49 -7.929 5.623 12.714 1.00 0.00 H new ATOM 726 N VAL A 50 -9.203 3.095 10.179 1.00 0.00 N ATOM 727 CA VAL A 50 -8.855 2.687 8.818 1.00 0.00 C ATOM 728 C VAL A 50 -9.462 1.312 8.493 1.00 0.00 C ATOM 729 O VAL A 50 -9.075 0.295 9.075 1.00 0.00 O ATOM 730 CB VAL A 50 -7.317 2.637 8.621 1.00 0.00 C ATOM 731 CG1 VAL A 50 -6.960 2.150 7.215 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.696 4.007 8.901 1.00 0.00 C ATOM 0 H VAL A 50 -8.516 2.832 10.886 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.268 3.432 8.137 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.904 1.923 9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.876 2.124 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.364 1.149 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.385 2.829 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.617 3.953 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.117 4.744 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.912 4.301 9.928 1.00 0.00 H new ATOM 742 N THR A 51 -10.434 1.293 7.582 1.00 0.00 N ATOM 743 CA THR A 51 -11.102 0.047 7.169 1.00 0.00 C ATOM 744 C THR A 51 -11.039 -0.130 5.647 1.00 0.00 C ATOM 745 O THR A 51 -10.483 0.715 4.946 1.00 0.00 O ATOM 746 CB THR A 51 -12.590 0.026 7.601 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.314 1.080 6.940 1.00 0.00 O ATOM 748 CG2 THR A 51 -12.732 0.182 9.110 1.00 0.00 C ATOM 0 H THR A 51 -10.782 2.128 7.110 1.00 0.00 H new ATOM 0 HA THR A 51 -10.572 -0.768 7.662 1.00 0.00 H new ATOM 0 HB THR A 51 -13.005 -0.940 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.253 1.056 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.788 0.163 9.380 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.215 -0.636 9.611 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.295 1.131 9.420 1.00 0.00 H new ATOM 756 N GLY A 52 -11.613 -1.227 5.138 1.00 0.00 N ATOM 757 CA GLY A 52 -11.633 -1.468 3.691 1.00 0.00 C ATOM 758 C GLY A 52 -12.152 -0.273 2.888 1.00 0.00 C ATOM 759 O GLY A 52 -11.681 0.002 1.777 1.00 0.00 O ATOM 0 H GLY A 52 -12.063 -1.952 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.625 -1.712 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.258 -2.337 3.482 1.00 0.00 H new ATOM 763 N THR A 53 -13.123 0.439 3.454 1.00 0.00 N ATOM 764 CA THR A 53 -13.663 1.653 2.828 1.00 0.00 C ATOM 765 C THR A 53 -12.568 2.711 2.659 1.00 0.00 C ATOM 766 O THR A 53 -12.279 3.144 1.545 1.00 0.00 O ATOM 767 CB THR A 53 -14.816 2.261 3.664 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.804 1.259 3.950 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.476 3.435 2.938 1.00 0.00 C ATOM 0 H THR A 53 -13.556 0.200 4.346 1.00 0.00 H new ATOM 0 HA THR A 53 -14.049 1.360 1.851 1.00 0.00 H new ATOM 0 HB THR A 53 -14.388 2.630 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.527 1.654 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.281 3.837 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.735 4.213 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.883 3.092 1.987 1.00 0.00 H new ATOM 777 N ASP A 54 -11.953 3.103 3.776 1.00 0.00 N ATOM 778 CA ASP A 54 -10.869 4.098 3.778 1.00 0.00 C ATOM 779 C ASP A 54 -9.750 3.698 2.793 1.00 0.00 C ATOM 780 O ASP A 54 -9.223 4.534 2.055 1.00 0.00 O ATOM 781 CB ASP A 54 -10.316 4.237 5.208 1.00 0.00 C ATOM 782 CG ASP A 54 -9.253 5.317 5.334 1.00 0.00 C ATOM 783 OD1 ASP A 54 -8.057 5.011 5.147 1.00 0.00 O ATOM 784 OD2 ASP A 54 -9.606 6.480 5.632 1.00 0.00 O ATOM 0 H ASP A 54 -12.187 2.745 4.702 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.264 5.059 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.137 4.463 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.895 3.282 5.523 1.00 0.00 H new ATOM 789 N VAL A 55 -9.420 2.405 2.779 1.00 0.00 N ATOM 790 CA VAL A 55 -8.412 1.854 1.862 1.00 0.00 C ATOM 791 C VAL A 55 -8.763 2.143 0.385 1.00 0.00 C ATOM 792 O VAL A 55 -7.884 2.472 -0.419 1.00 0.00 O ATOM 793 CB VAL A 55 -8.254 0.320 2.077 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.289 -0.287 1.062 1.00 0.00 C ATOM 795 CG2 VAL A 55 -7.787 0.021 3.504 1.00 0.00 C ATOM 0 H VAL A 55 -9.839 1.711 3.398 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.467 2.347 2.088 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.231 -0.139 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.201 -1.359 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.666 -0.116 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.310 0.180 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.683 -1.056 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.825 0.503 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.520 0.403 4.214 1.00 0.00 H new ATOM 805 N ASP A 56 -10.046 2.047 0.033 1.00 0.00 N ATOM 806 CA ASP A 56 -10.481 2.295 -1.346 1.00 0.00 C ATOM 807 C ASP A 56 -10.442 3.801 -1.658 1.00 0.00 C ATOM 808 O ASP A 56 -10.063 4.219 -2.757 1.00 0.00 O ATOM 809 CB ASP A 56 -11.896 1.740 -1.558 1.00 0.00 C ATOM 810 CG ASP A 56 -12.280 1.674 -3.028 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.792 2.681 -3.568 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.065 0.611 -3.653 1.00 0.00 O ATOM 0 H ASP A 56 -10.798 1.801 0.677 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.799 1.786 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.961 0.742 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.612 2.366 -1.026 1.00 0.00 H new ATOM 817 N ILE A 57 -10.815 4.605 -0.663 1.00 0.00 N ATOM 818 CA ILE A 57 -10.804 6.063 -0.792 1.00 0.00 C ATOM 819 C ILE A 57 -9.388 6.577 -1.089 1.00 0.00 C ATOM 820 O ILE A 57 -9.181 7.374 -2.011 1.00 0.00 O ATOM 821 CB ILE A 57 -11.338 6.745 0.497 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.677 6.113 0.918 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.486 8.251 0.287 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.388 6.843 2.043 1.00 0.00 C ATOM 0 H ILE A 57 -11.131 4.269 0.247 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.460 6.318 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.618 6.588 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.336 6.077 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.498 5.083 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.861 8.711 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.516 8.681 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.186 8.438 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.322 6.331 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.751 6.857 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.603 7.866 1.734 1.00 0.00 H new ATOM 836 N VAL A 58 -8.418 6.105 -0.309 1.00 0.00 N ATOM 837 CA VAL A 58 -7.011 6.470 -0.505 1.00 0.00 C ATOM 838 C VAL A 58 -6.489 6.003 -1.876 1.00 0.00 C ATOM 839 O VAL A 58 -5.805 6.751 -2.578 1.00 0.00 O ATOM 840 CB VAL A 58 -6.119 5.879 0.615 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.647 6.217 0.379 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.575 6.378 1.986 1.00 0.00 C ATOM 0 H VAL A 58 -8.579 5.466 0.469 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.959 7.558 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.223 4.794 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.043 5.790 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.327 5.803 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.520 7.299 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.936 5.952 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.508 7.465 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.607 6.073 2.159 1.00 0.00 H new ATOM 852 N PHE A 59 -6.830 4.767 -2.255 1.00 0.00 N ATOM 853 CA PHE A 59 -6.432 4.201 -3.555 1.00 0.00 C ATOM 854 C PHE A 59 -6.763 5.149 -4.720 1.00 0.00 C ATOM 855 O PHE A 59 -5.928 5.407 -5.587 1.00 0.00 O ATOM 856 CB PHE A 59 -7.135 2.852 -3.770 1.00 0.00 C ATOM 857 CG PHE A 59 -6.906 2.245 -5.135 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.711 1.605 -5.434 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.885 2.316 -6.118 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.498 1.052 -6.684 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.675 1.765 -7.368 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.480 1.133 -7.651 1.00 0.00 C ATOM 0 H PHE A 59 -7.384 4.134 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.351 4.060 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.791 2.150 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.206 2.985 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.939 1.538 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.822 2.808 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.564 0.557 -6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.445 1.829 -8.123 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.314 0.703 -8.628 1.00 0.00 H new ATOM 872 N SER A 60 -7.987 5.668 -4.725 1.00 0.00 N ATOM 873 CA SER A 60 -8.441 6.575 -5.790 1.00 0.00 C ATOM 874 C SER A 60 -7.972 8.018 -5.543 1.00 0.00 C ATOM 875 O SER A 60 -7.971 8.850 -6.451 1.00 0.00 O ATOM 876 CB SER A 60 -9.969 6.536 -5.910 1.00 0.00 C ATOM 877 OG SER A 60 -10.426 7.360 -6.971 1.00 0.00 O ATOM 0 H SER A 60 -8.687 5.480 -4.007 1.00 0.00 H new ATOM 0 HA SER A 60 -7.997 6.231 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.296 5.510 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.418 6.865 -4.973 1.00 0.00 H new ATOM 0 HG SER A 60 -11.403 7.313 -7.024 1.00 0.00 H new ATOM 883 N LYS A 61 -7.563 8.301 -4.313 1.00 0.00 N ATOM 884 CA LYS A 61 -7.106 9.639 -3.925 1.00 0.00 C ATOM 885 C LYS A 61 -5.687 9.936 -4.445 1.00 0.00 C ATOM 886 O LYS A 61 -5.389 11.056 -4.867 1.00 0.00 O ATOM 887 CB LYS A 61 -7.146 9.758 -2.394 1.00 0.00 C ATOM 888 CG LYS A 61 -6.701 11.109 -1.848 1.00 0.00 C ATOM 889 CD LYS A 61 -6.782 11.147 -0.323 1.00 0.00 C ATOM 890 CE LYS A 61 -6.337 12.490 0.239 1.00 0.00 C ATOM 891 NZ LYS A 61 -7.121 13.619 -0.326 1.00 0.00 N ATOM 0 H LYS A 61 -7.537 7.617 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.773 10.373 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.163 9.561 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.511 8.982 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.678 11.312 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.327 11.897 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.806 10.944 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.159 10.356 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.444 12.482 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.279 12.640 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.945 14.478 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.833 13.783 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.134 13.387 -0.295 1.00 0.00 H new ATOM 905 N VAL A 62 -4.819 8.924 -4.420 1.00 0.00 N ATOM 906 CA VAL A 62 -3.408 9.097 -4.808 1.00 0.00 C ATOM 907 C VAL A 62 -3.171 8.922 -6.322 1.00 0.00 C ATOM 908 O VAL A 62 -2.062 9.155 -6.811 1.00 0.00 O ATOM 909 CB VAL A 62 -2.496 8.110 -4.036 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.594 8.359 -2.533 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.847 6.660 -4.376 1.00 0.00 C ATOM 0 H VAL A 62 -5.062 7.975 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.153 10.124 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.465 8.283 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.948 7.658 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.280 9.379 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.625 8.218 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.193 5.988 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.884 6.463 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.715 6.495 -5.445 1.00 0.00 H new ATOM 921 N LYS A 63 -4.206 8.526 -7.062 1.00 0.00 N ATOM 922 CA LYS A 63 -4.079 8.298 -8.511 1.00 0.00 C ATOM 923 C LYS A 63 -5.021 9.215 -9.317 1.00 0.00 C ATOM 924 O LYS A 63 -5.732 10.053 -8.753 1.00 0.00 O ATOM 925 CB LYS A 63 -4.391 6.832 -8.844 1.00 0.00 C ATOM 926 CG LYS A 63 -5.866 6.478 -8.694 1.00 0.00 C ATOM 927 CD LYS A 63 -6.177 5.076 -9.205 1.00 0.00 C ATOM 928 CE LYS A 63 -7.679 4.875 -9.367 1.00 0.00 C ATOM 929 NZ LYS A 63 -8.267 5.888 -10.285 1.00 0.00 N ATOM 0 H LYS A 63 -5.140 8.356 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.052 8.532 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.077 6.625 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.802 6.186 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.151 6.552 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.469 7.204 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.680 4.915 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.780 4.335 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.874 3.875 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.163 4.940 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.037 5.454 -10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.643 6.683 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.533 6.236 -10.935 1.00 0.00 H new ATOM 943 N GLY A 64 -5.027 9.040 -10.640 1.00 0.00 N ATOM 944 CA GLY A 64 -5.915 9.813 -11.509 1.00 0.00 C ATOM 945 C GLY A 64 -7.106 9.008 -12.032 1.00 0.00 C ATOM 946 O GLY A 64 -7.273 7.832 -11.701 1.00 0.00 O ATOM 0 H GLY A 64 -4.430 8.374 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.284 10.679 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.343 10.192 -12.356 1.00 0.00 H new ATOM 950 N LYS A 65 -7.930 9.645 -12.862 1.00 0.00 N ATOM 951 CA LYS A 65 -9.133 9.012 -13.421 1.00 0.00 C ATOM 952 C LYS A 65 -8.792 8.013 -14.540 1.00 0.00 C ATOM 953 O LYS A 65 -9.398 6.944 -14.635 1.00 0.00 O ATOM 954 CB LYS A 65 -10.092 10.084 -13.962 1.00 0.00 C ATOM 955 CG LYS A 65 -10.768 10.926 -12.880 1.00 0.00 C ATOM 956 CD LYS A 65 -11.680 10.080 -11.998 1.00 0.00 C ATOM 957 CE LYS A 65 -12.486 10.929 -11.024 1.00 0.00 C ATOM 958 NZ LYS A 65 -13.383 10.095 -10.181 1.00 0.00 N ATOM 0 H LYS A 65 -7.788 10.608 -13.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.613 8.459 -12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.540 10.746 -14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.862 9.597 -14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.008 11.406 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.348 11.722 -13.347 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.361 9.506 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.079 9.362 -11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.807 11.494 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.080 11.655 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.916 10.707 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.047 9.575 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.814 9.419 -9.633 1.00 0.00 H new ATOM 972 N SER A 66 -7.823 8.373 -15.382 1.00 0.00 N ATOM 973 CA SER A 66 -7.421 7.531 -16.524 1.00 0.00 C ATOM 974 C SER A 66 -6.776 6.214 -16.065 1.00 0.00 C ATOM 975 O SER A 66 -6.956 5.170 -16.691 1.00 0.00 O ATOM 976 CB SER A 66 -6.444 8.294 -17.426 1.00 0.00 C ATOM 977 OG SER A 66 -6.056 7.515 -18.548 1.00 0.00 O ATOM 0 H SER A 66 -7.297 9.243 -15.300 1.00 0.00 H new ATOM 0 HA SER A 66 -8.325 7.287 -17.082 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.909 9.219 -17.767 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.560 8.574 -16.853 1.00 0.00 H new ATOM 0 HG SER A 66 -5.434 8.029 -19.104 1.00 0.00 H new ATOM 983 N ALA A 67 -6.020 6.274 -14.973 1.00 0.00 N ATOM 984 CA ALA A 67 -5.369 5.086 -14.417 1.00 0.00 C ATOM 985 C ALA A 67 -6.237 4.429 -13.333 1.00 0.00 C ATOM 986 O ALA A 67 -6.610 5.066 -12.348 1.00 0.00 O ATOM 987 CB ALA A 67 -3.999 5.452 -13.853 1.00 0.00 C ATOM 0 H ALA A 67 -5.841 7.133 -14.453 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.239 4.364 -15.223 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.525 4.561 -13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.376 5.861 -14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.117 6.196 -13.065 1.00 0.00 H new ATOM 993 N ARG A 68 -6.570 3.155 -13.528 1.00 0.00 N ATOM 994 CA ARG A 68 -7.321 2.388 -12.524 1.00 0.00 C ATOM 995 C ARG A 68 -6.363 1.604 -11.611 1.00 0.00 C ATOM 996 O ARG A 68 -6.791 0.825 -10.759 1.00 0.00 O ATOM 997 CB ARG A 68 -8.305 1.433 -13.215 1.00 0.00 C ATOM 998 CG ARG A 68 -9.287 2.136 -14.151 1.00 0.00 C ATOM 999 CD ARG A 68 -10.277 1.156 -14.773 1.00 0.00 C ATOM 1000 NE ARG A 68 -11.134 0.518 -13.771 1.00 0.00 N ATOM 1001 CZ ARG A 68 -11.655 -0.674 -13.896 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -11.421 -1.389 -14.949 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -12.413 -1.148 -12.964 1.00 0.00 N ATOM 0 H ARG A 68 -6.334 2.628 -14.369 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.886 3.086 -11.906 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.741 0.693 -13.783 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.866 0.891 -12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.832 2.901 -13.598 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.735 2.646 -14.941 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.899 1.682 -15.497 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.730 0.389 -15.321 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.338 1.039 -12.918 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.825 -1.023 -15.692 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.833 -2.318 -15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.605 -0.592 -12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.820 -2.078 -13.061 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.066 1.837 -11.798 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.015 1.191 -11.005 1.00 0.00 C ATOM 1019 C VAL A 69 -3.027 2.231 -10.452 1.00 0.00 C ATOM 1020 O VAL A 69 -2.945 3.350 -10.961 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.231 0.153 -11.853 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.156 -0.961 -12.341 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.530 0.827 -13.035 1.00 0.00 C ATOM 0 H VAL A 69 -4.710 2.480 -12.505 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.506 0.680 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.468 -0.291 -11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.584 -1.676 -12.933 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.597 -1.470 -11.484 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.948 -0.533 -12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.988 0.078 -13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.272 1.309 -13.672 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.830 1.575 -12.664 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.283 1.869 -9.406 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.246 2.759 -8.858 1.00 0.00 C ATOM 1035 C ILE A 70 0.157 2.164 -9.048 1.00 0.00 C ATOM 1036 O ILE A 70 0.330 0.945 -9.075 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.453 3.088 -7.348 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.005 1.928 -6.424 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.907 3.466 -7.074 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.858 0.679 -6.491 1.00 0.00 C ATOM 0 H ILE A 70 -2.374 0.976 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.337 3.688 -9.420 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.817 3.942 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.021 1.661 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.997 2.288 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.031 3.692 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.173 4.342 -7.665 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.557 2.634 -7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.460 -0.071 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.882 0.922 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.847 0.285 -7.507 1.00 0.00 H new ATOM 1052 N ASN A 71 1.154 3.030 -9.172 1.00 0.00 N ATOM 1053 CA ASN A 71 2.548 2.600 -9.327 1.00 0.00 C ATOM 1054 C ASN A 71 3.346 2.802 -8.020 1.00 0.00 C ATOM 1055 O ASN A 71 2.849 3.412 -7.075 1.00 0.00 O ATOM 1056 CB ASN A 71 3.208 3.328 -10.512 1.00 0.00 C ATOM 1057 CG ASN A 71 2.889 4.811 -10.573 1.00 0.00 C ATOM 1058 OD1 ASN A 71 1.811 5.258 -10.185 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.818 5.588 -11.084 1.00 0.00 N ATOM 0 H ASN A 71 1.027 4.042 -9.169 1.00 0.00 H new ATOM 0 HA ASN A 71 2.554 1.532 -9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.289 3.200 -10.449 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.885 2.858 -11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.655 6.591 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.702 5.188 -11.397 1.00 0.00 H new ATOM 1066 N TYR A 72 4.585 2.300 -7.987 1.00 0.00 N ATOM 1067 CA TYR A 72 5.384 2.202 -6.743 1.00 0.00 C ATOM 1068 C TYR A 72 5.371 3.488 -5.888 1.00 0.00 C ATOM 1069 O TYR A 72 5.052 3.446 -4.695 1.00 0.00 O ATOM 1070 CB TYR A 72 6.834 1.821 -7.078 1.00 0.00 C ATOM 1071 CG TYR A 72 7.696 1.534 -5.858 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.624 0.305 -5.209 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.578 2.488 -5.352 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.405 0.034 -4.100 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.364 2.219 -4.244 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.270 0.993 -3.619 1.00 0.00 C ATOM 1077 OH TYR A 72 10.057 0.717 -2.520 1.00 0.00 O ATOM 0 H TYR A 72 5.068 1.949 -8.814 1.00 0.00 H new ATOM 0 HA TYR A 72 4.911 1.425 -6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.828 0.941 -7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.289 2.630 -7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.946 -0.451 -5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.649 3.453 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.337 -0.927 -3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.048 2.967 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 72 10.611 1.498 -2.310 1.00 0.00 H new ATOM 1087 N GLU A 73 5.727 4.624 -6.486 1.00 0.00 N ATOM 1088 CA GLU A 73 5.829 5.885 -5.734 1.00 0.00 C ATOM 1089 C GLU A 73 4.456 6.325 -5.187 1.00 0.00 C ATOM 1090 O GLU A 73 4.331 6.714 -4.022 1.00 0.00 O ATOM 1091 CB GLU A 73 6.413 6.996 -6.619 1.00 0.00 C ATOM 1092 CG GLU A 73 6.828 8.247 -5.843 1.00 0.00 C ATOM 1093 CD GLU A 73 8.328 8.331 -5.591 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.853 7.555 -4.765 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.994 9.178 -6.225 1.00 0.00 O ATOM 0 H GLU A 73 5.949 4.703 -7.478 1.00 0.00 H new ATOM 0 HA GLU A 73 6.496 5.710 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.280 6.606 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.675 7.274 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.510 9.131 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.305 8.263 -4.887 1.00 0.00 H new ATOM 1102 N GLU A 74 3.431 6.242 -6.034 1.00 0.00 N ATOM 1103 CA GLU A 74 2.061 6.612 -5.655 1.00 0.00 C ATOM 1104 C GLU A 74 1.516 5.661 -4.582 1.00 0.00 C ATOM 1105 O GLU A 74 0.748 6.060 -3.707 1.00 0.00 O ATOM 1106 CB GLU A 74 1.151 6.605 -6.894 1.00 0.00 C ATOM 1107 CG GLU A 74 1.333 7.815 -7.815 1.00 0.00 C ATOM 1108 CD GLU A 74 2.790 8.109 -8.164 1.00 0.00 C ATOM 1109 OE1 GLU A 74 3.472 7.223 -8.715 1.00 0.00 O ATOM 1110 OE2 GLU A 74 3.253 9.236 -7.898 1.00 0.00 O ATOM 0 H GLU A 74 3.522 5.919 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 74 2.078 7.618 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.341 5.696 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.112 6.565 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.775 7.646 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.899 8.693 -7.336 1.00 0.00 H new ATOM 1117 N PHE A 75 1.929 4.401 -4.669 1.00 0.00 N ATOM 1118 CA PHE A 75 1.637 3.400 -3.641 1.00 0.00 C ATOM 1119 C PHE A 75 2.171 3.856 -2.276 1.00 0.00 C ATOM 1120 O PHE A 75 1.488 3.750 -1.256 1.00 0.00 O ATOM 1121 CB PHE A 75 2.263 2.058 -4.049 1.00 0.00 C ATOM 1122 CG PHE A 75 2.190 0.978 -2.996 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.021 0.257 -2.795 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.298 0.677 -2.213 1.00 0.00 C ATOM 1125 CE1 PHE A 75 0.963 -0.738 -1.835 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.242 -0.317 -1.257 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.073 -1.025 -1.067 1.00 0.00 C ATOM 0 H PHE A 75 2.475 4.042 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 75 0.557 3.279 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.766 1.701 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.309 2.225 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.149 0.475 -3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.216 1.229 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.047 -1.291 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.113 -0.540 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.027 -1.802 -0.319 1.00 0.00 H new ATOM 1137 N LYS A 76 3.396 4.379 -2.268 1.00 0.00 N ATOM 1138 CA LYS A 76 3.995 4.919 -1.045 1.00 0.00 C ATOM 1139 C LYS A 76 3.287 6.208 -0.601 1.00 0.00 C ATOM 1140 O LYS A 76 3.164 6.474 0.592 1.00 0.00 O ATOM 1141 CB LYS A 76 5.490 5.179 -1.246 1.00 0.00 C ATOM 1142 CG LYS A 76 6.288 3.922 -1.581 1.00 0.00 C ATOM 1143 CD LYS A 76 7.784 4.206 -1.658 1.00 0.00 C ATOM 1144 CE LYS A 76 8.115 5.233 -2.731 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.572 5.518 -2.799 1.00 0.00 N ATOM 0 H LYS A 76 3.994 4.441 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 76 3.871 4.175 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.619 5.906 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.898 5.628 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.101 3.160 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.945 3.517 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.135 4.566 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.319 3.279 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.771 4.869 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.574 6.157 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.764 6.157 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.879 5.968 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.094 4.629 -2.935 1.00 0.00 H new ATOM 1159 N LYS A 77 2.819 7.000 -1.566 1.00 0.00 N ATOM 1160 CA LYS A 77 2.010 8.189 -1.261 1.00 0.00 C ATOM 1161 C LYS A 77 0.725 7.784 -0.521 1.00 0.00 C ATOM 1162 O LYS A 77 0.266 8.477 0.391 1.00 0.00 O ATOM 1163 CB LYS A 77 1.664 8.949 -2.550 1.00 0.00 C ATOM 1164 CG LYS A 77 0.856 10.225 -2.321 1.00 0.00 C ATOM 1165 CD LYS A 77 0.522 10.928 -3.637 1.00 0.00 C ATOM 1166 CE LYS A 77 -0.265 12.216 -3.410 1.00 0.00 C ATOM 1167 NZ LYS A 77 -0.586 12.908 -4.687 1.00 0.00 N ATOM 0 H LYS A 77 2.983 6.845 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 77 2.593 8.847 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.588 9.205 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.101 8.288 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.067 9.982 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.420 10.902 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.444 11.155 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.056 10.256 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.190 11.987 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.311 12.885 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.121 13.777 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.296 13.151 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.158 12.281 -5.287 1.00 0.00 H new ATOM 1181 N ALA A 78 0.150 6.651 -0.925 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.984 6.061 -0.212 1.00 0.00 C ATOM 1183 C ALA A 78 -0.574 5.636 1.204 1.00 0.00 C ATOM 1184 O ALA A 78 -1.312 5.846 2.168 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.535 4.867 -0.988 1.00 0.00 C ATOM 0 H ALA A 78 0.451 6.122 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.767 6.815 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.378 4.438 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.866 5.195 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.755 4.114 -1.100 1.00 0.00 H new ATOM 1191 N LEU A 79 0.616 5.040 1.318 1.00 0.00 N ATOM 1192 CA LEU A 79 1.176 4.668 2.622 1.00 0.00 C ATOM 1193 C LEU A 79 1.410 5.904 3.505 1.00 0.00 C ATOM 1194 O LEU A 79 1.268 5.831 4.720 1.00 0.00 O ATOM 1195 CB LEU A 79 2.492 3.893 2.450 1.00 0.00 C ATOM 1196 CG LEU A 79 2.380 2.555 1.697 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.746 1.882 1.602 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.364 1.633 2.373 1.00 0.00 C ATOM 0 H LEU A 79 1.211 4.804 0.524 1.00 0.00 H new ATOM 0 HA LEU A 79 0.448 4.025 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.201 4.529 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.911 3.700 3.437 1.00 0.00 H new ATOM 0 HG LEU A 79 2.027 2.758 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.650 0.937 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.436 2.534 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.129 1.694 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.302 0.694 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.679 1.434 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.386 2.114 2.381 1.00 0.00 H new ATOM 1210 N GLU A 80 1.766 7.035 2.890 1.00 0.00 N ATOM 1211 CA GLU A 80 1.926 8.296 3.626 1.00 0.00 C ATOM 1212 C GLU A 80 0.602 8.714 4.290 1.00 0.00 C ATOM 1213 O GLU A 80 0.566 9.026 5.482 1.00 0.00 O ATOM 1214 CB GLU A 80 2.430 9.412 2.696 1.00 0.00 C ATOM 1215 CG GLU A 80 3.854 9.203 2.183 1.00 0.00 C ATOM 1216 CD GLU A 80 4.348 10.354 1.318 1.00 0.00 C ATOM 1217 OE1 GLU A 80 4.672 11.428 1.875 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.413 10.200 0.081 1.00 0.00 O ATOM 0 H GLU A 80 1.949 7.105 1.889 1.00 0.00 H new ATOM 0 HA GLU A 80 2.669 8.135 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.756 9.491 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.383 10.362 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.526 9.079 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.895 8.279 1.607 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.483 8.712 3.515 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.825 8.982 4.053 1.00 0.00 C ATOM 1227 C GLU A 81 -2.162 8.022 5.208 1.00 0.00 C ATOM 1228 O GLU A 81 -2.429 8.449 6.335 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.881 8.848 2.939 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.906 10.011 1.947 1.00 0.00 C ATOM 1231 CD GLU A 81 -3.479 11.287 2.553 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.695 11.321 2.834 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -2.724 12.263 2.747 1.00 0.00 O ATOM 0 H GLU A 81 -0.463 8.527 2.512 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.834 10.001 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.698 7.924 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.866 8.757 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.893 10.204 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.499 9.729 1.077 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.122 6.721 4.920 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.438 5.689 5.916 1.00 0.00 C ATOM 1242 C LEU A 82 -1.549 5.803 7.168 1.00 0.00 C ATOM 1243 O LEU A 82 -2.037 5.722 8.293 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.291 4.294 5.293 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.218 4.005 4.100 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -2.926 2.628 3.511 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.686 4.114 4.515 1.00 0.00 C ATOM 0 H LEU A 82 -1.873 6.353 4.002 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.470 5.843 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.258 4.166 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.477 3.548 6.065 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.025 4.753 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.593 2.444 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.891 2.590 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.085 1.865 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.323 3.906 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.895 3.393 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.887 5.121 4.880 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.251 6.007 6.963 1.00 0.00 N ATOM 1260 CA ALA A 83 0.710 6.117 8.069 1.00 0.00 C ATOM 1261 C ALA A 83 0.441 7.350 8.943 1.00 0.00 C ATOM 1262 O ALA A 83 0.443 7.262 10.170 1.00 0.00 O ATOM 1263 CB ALA A 83 2.140 6.156 7.532 1.00 0.00 C ATOM 0 H ALA A 83 0.167 6.101 6.037 1.00 0.00 H new ATOM 0 HA ALA A 83 0.585 5.234 8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.839 6.238 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.344 5.242 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.258 7.016 6.873 1.00 0.00 H new ATOM 1269 N THR A 84 0.197 8.495 8.308 1.00 0.00 N ATOM 1270 CA THR A 84 -0.047 9.750 9.041 1.00 0.00 C ATOM 1271 C THR A 84 -1.422 9.769 9.725 1.00 0.00 C ATOM 1272 O THR A 84 -1.702 10.653 10.534 1.00 0.00 O ATOM 1273 CB THR A 84 0.075 10.996 8.131 1.00 0.00 C ATOM 1274 OG1 THR A 84 -0.890 10.947 7.069 1.00 0.00 O ATOM 1275 CG2 THR A 84 1.480 11.111 7.545 1.00 0.00 C ATOM 0 H THR A 84 0.162 8.587 7.293 1.00 0.00 H new ATOM 0 HA THR A 84 0.730 9.791 9.805 1.00 0.00 H new ATOM 0 HB THR A 84 -0.120 11.874 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.577 10.334 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.538 11.995 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.206 11.197 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.701 10.223 6.952 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.288 8.816 9.377 1.00 0.00 N ATOM 1284 CA LYS A 85 -3.563 8.638 10.088 1.00 0.00 C ATOM 1285 C LYS A 85 -3.441 7.591 11.214 1.00 0.00 C ATOM 1286 O LYS A 85 -3.875 7.827 12.340 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.680 8.238 9.111 1.00 0.00 C ATOM 1288 CG LYS A 85 -4.995 9.310 8.068 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.197 8.941 7.194 1.00 0.00 C ATOM 1290 CE LYS A 85 -5.966 7.658 6.400 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.077 7.394 5.445 1.00 0.00 N ATOM 0 H LYS A 85 -2.135 8.158 8.613 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.819 9.595 10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.392 7.319 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.585 8.017 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.193 10.256 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.122 9.463 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.078 8.821 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.407 9.759 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.026 7.733 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.869 6.817 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.013 6.415 5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.989 7.532 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.007 8.050 4.641 1.00 0.00 H new ATOM 1305 N ARG A 86 -2.844 6.435 10.908 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.682 5.357 11.901 1.00 0.00 C ATOM 1307 C ARG A 86 -1.648 5.722 12.978 1.00 0.00 C ATOM 1308 O ARG A 86 -1.899 5.584 14.175 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.248 4.054 11.213 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.223 3.549 10.155 1.00 0.00 C ATOM 1311 CD ARG A 86 -2.755 2.231 9.542 1.00 0.00 C ATOM 1312 NE ARG A 86 -2.769 1.140 10.515 1.00 0.00 N ATOM 1313 CZ ARG A 86 -2.025 0.070 10.444 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -1.138 -0.060 9.508 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -2.168 -0.868 11.321 1.00 0.00 N ATOM 0 H ARG A 86 -2.465 6.218 9.986 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.650 5.219 12.383 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.274 4.209 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.120 3.281 11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.208 3.413 10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.330 4.298 9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.398 1.974 8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.746 2.352 9.148 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.407 1.221 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.015 0.679 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.563 -0.901 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.860 -0.770 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.589 -1.706 11.270 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.478 6.170 12.533 1.00 0.00 N ATOM 1330 CA PHE A 87 0.632 6.511 13.431 1.00 0.00 C ATOM 1331 C PHE A 87 0.812 8.037 13.526 1.00 0.00 C ATOM 1332 O PHE A 87 1.935 8.540 13.594 1.00 0.00 O ATOM 1333 CB PHE A 87 1.926 5.853 12.922 1.00 0.00 C ATOM 1334 CG PHE A 87 1.806 4.365 12.697 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.936 3.471 13.753 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.567 3.858 11.426 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.827 2.109 13.546 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.456 2.497 11.215 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.586 1.621 12.275 1.00 0.00 C ATOM 0 H PHE A 87 -0.268 6.308 11.544 1.00 0.00 H new ATOM 0 HA PHE A 87 0.403 6.136 14.429 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.221 6.330 11.987 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.724 6.039 13.641 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.125 3.845 14.748 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.467 4.537 10.592 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.930 1.426 14.376 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.268 2.118 10.221 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.500 0.557 12.111 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.306 8.762 13.549 1.00 0.00 N ATOM 1350 CA LYS A 88 -0.293 10.228 13.605 1.00 0.00 C ATOM 1351 C LYS A 88 0.467 10.751 14.839 1.00 0.00 C ATOM 1352 O LYS A 88 -0.109 10.919 15.914 1.00 0.00 O ATOM 1353 CB LYS A 88 -1.737 10.759 13.599 1.00 0.00 C ATOM 1354 CG LYS A 88 -1.845 12.282 13.585 1.00 0.00 C ATOM 1355 CD LYS A 88 -3.294 12.752 13.432 1.00 0.00 C ATOM 1356 CE LYS A 88 -4.186 12.252 14.567 1.00 0.00 C ATOM 1357 NZ LYS A 88 -3.728 12.739 15.896 1.00 0.00 N ATOM 0 H LYS A 88 -1.241 8.356 13.530 1.00 0.00 H new ATOM 0 HA LYS A 88 0.234 10.593 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.255 10.361 12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.256 10.377 14.478 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.429 12.684 14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.246 12.681 12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.320 13.841 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.690 12.400 12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.210 12.582 14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.197 11.162 14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.425 12.476 16.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.810 12.308 16.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.628 13.774 15.871 1.00 0.00 H new ATOM 1371 N GLY A 89 1.768 10.986 14.677 1.00 0.00 N ATOM 1372 CA GLY A 89 2.582 11.502 15.772 1.00 0.00 C ATOM 1373 C GLY A 89 3.890 12.138 15.309 1.00 0.00 C ATOM 1374 O GLY A 89 4.945 11.886 15.893 1.00 0.00 O ATOM 0 H GLY A 89 2.276 10.829 13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.004 12.241 16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.807 10.689 16.462 1.00 0.00 H new ATOM 1378 N LYS A 90 3.813 12.960 14.256 1.00 0.00 N ATOM 1379 CA LYS A 90 4.977 13.696 13.714 1.00 0.00 C ATOM 1380 C LYS A 90 6.000 12.790 12.999 1.00 0.00 C ATOM 1381 O LYS A 90 6.272 12.976 11.812 1.00 0.00 O ATOM 1382 CB LYS A 90 5.682 14.514 14.813 1.00 0.00 C ATOM 1383 CG LYS A 90 4.892 15.736 15.270 1.00 0.00 C ATOM 1384 CD LYS A 90 5.650 16.539 16.323 1.00 0.00 C ATOM 1385 CE LYS A 90 5.024 17.911 16.545 1.00 0.00 C ATOM 1386 NZ LYS A 90 5.088 18.752 15.320 1.00 0.00 N ATOM 0 H LYS A 90 2.945 13.138 13.751 1.00 0.00 H new ATOM 0 HA LYS A 90 4.569 14.372 12.962 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.866 13.869 15.672 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.655 14.839 14.444 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.678 16.373 14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.932 15.417 15.677 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.661 15.988 17.263 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.688 16.659 16.012 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.984 17.791 16.850 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.539 18.418 17.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.994 19.754 15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.000 18.603 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.314 18.488 14.677 1.00 0.00 H new ATOM 1400 N SER A 91 6.574 11.833 13.727 1.00 0.00 N ATOM 1401 CA SER A 91 7.627 10.960 13.203 1.00 0.00 C ATOM 1402 C SER A 91 7.193 10.199 11.939 1.00 0.00 C ATOM 1403 O SER A 91 6.689 9.076 12.018 1.00 0.00 O ATOM 1404 CB SER A 91 8.051 9.968 14.290 1.00 0.00 C ATOM 1405 OG SER A 91 8.453 10.641 15.476 1.00 0.00 O ATOM 0 H SER A 91 6.323 11.640 14.697 1.00 0.00 H new ATOM 0 HA SER A 91 8.467 11.594 12.918 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.223 9.295 14.514 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.872 9.352 13.923 1.00 0.00 H new ATOM 0 HG SER A 91 8.716 9.983 16.152 1.00 0.00 H new ATOM 1411 N LYS A 92 7.392 10.821 10.778 1.00 0.00 N ATOM 1412 CA LYS A 92 7.030 10.216 9.492 1.00 0.00 C ATOM 1413 C LYS A 92 7.888 8.982 9.184 1.00 0.00 C ATOM 1414 O LYS A 92 7.372 7.959 8.732 1.00 0.00 O ATOM 1415 CB LYS A 92 7.170 11.241 8.359 1.00 0.00 C ATOM 1416 CG LYS A 92 6.808 10.679 6.985 1.00 0.00 C ATOM 1417 CD LYS A 92 6.975 11.712 5.874 1.00 0.00 C ATOM 1418 CE LYS A 92 6.611 11.132 4.511 1.00 0.00 C ATOM 1419 NZ LYS A 92 6.724 12.144 3.429 1.00 0.00 N ATOM 0 H LYS A 92 7.805 11.750 10.699 1.00 0.00 H new ATOM 0 HA LYS A 92 5.991 9.896 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.531 12.098 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.196 11.607 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.437 9.814 6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.776 10.327 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.345 12.577 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.006 12.065 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.265 10.289 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.592 10.746 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.866 12.122 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.832 13.090 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.553 11.930 2.839 1.00 0.00 H new ATOM 1433 N GLU A 93 9.197 9.083 9.432 1.00 0.00 N ATOM 1434 CA GLU A 93 10.114 7.959 9.200 1.00 0.00 C ATOM 1435 C GLU A 93 9.633 6.700 9.934 1.00 0.00 C ATOM 1436 O GLU A 93 9.327 5.684 9.310 1.00 0.00 O ATOM 1437 CB GLU A 93 11.534 8.317 9.661 1.00 0.00 C ATOM 1438 CG GLU A 93 12.526 7.162 9.545 1.00 0.00 C ATOM 1439 CD GLU A 93 13.901 7.509 10.089 1.00 0.00 C ATOM 1440 OE1 GLU A 93 14.129 7.321 11.307 1.00 0.00 O ATOM 1441 OE2 GLU A 93 14.757 7.971 9.305 1.00 0.00 O ATOM 0 H GLU A 93 9.645 9.926 9.791 1.00 0.00 H new ATOM 0 HA GLU A 93 10.129 7.756 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.898 9.157 9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.497 8.650 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.135 6.298 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.617 6.871 8.498 1.00 0.00 H new ATOM 1448 N GLU A 94 9.548 6.789 11.261 1.00 0.00 N ATOM 1449 CA GLU A 94 9.102 5.666 12.092 1.00 0.00 C ATOM 1450 C GLU A 94 7.710 5.168 11.674 1.00 0.00 C ATOM 1451 O GLU A 94 7.464 3.962 11.619 1.00 0.00 O ATOM 1452 CB GLU A 94 9.092 6.076 13.569 1.00 0.00 C ATOM 1453 CG GLU A 94 8.686 4.954 14.518 1.00 0.00 C ATOM 1454 CD GLU A 94 8.738 5.373 15.978 1.00 0.00 C ATOM 1455 OE1 GLU A 94 9.823 5.269 16.589 1.00 0.00 O ATOM 1456 OE2 GLU A 94 7.697 5.804 16.519 1.00 0.00 O ATOM 0 H GLU A 94 9.783 7.630 11.788 1.00 0.00 H new ATOM 0 HA GLU A 94 9.806 4.846 11.948 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.085 6.430 13.844 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.407 6.914 13.699 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.676 4.625 14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.345 4.099 14.366 1.00 0.00 H new ATOM 1463 N ALA A 95 6.804 6.101 11.378 1.00 0.00 N ATOM 1464 CA ALA A 95 5.455 5.753 10.912 1.00 0.00 C ATOM 1465 C ALA A 95 5.508 4.926 9.617 1.00 0.00 C ATOM 1466 O ALA A 95 4.796 3.928 9.472 1.00 0.00 O ATOM 1467 CB ALA A 95 4.628 7.016 10.703 1.00 0.00 C ATOM 0 H ALA A 95 6.977 7.104 11.452 1.00 0.00 H new ATOM 0 HA ALA A 95 4.980 5.142 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.630 6.745 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.551 7.560 11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.111 7.648 9.957 1.00 0.00 H new ATOM 1473 N PHE A 96 6.372 5.345 8.689 1.00 0.00 N ATOM 1474 CA PHE A 96 6.526 4.666 7.399 1.00 0.00 C ATOM 1475 C PHE A 96 7.165 3.280 7.580 1.00 0.00 C ATOM 1476 O PHE A 96 6.664 2.285 7.057 1.00 0.00 O ATOM 1477 CB PHE A 96 7.371 5.530 6.446 1.00 0.00 C ATOM 1478 CG PHE A 96 7.318 5.080 5.003 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.267 5.473 4.181 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.310 4.268 4.470 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.211 5.064 2.861 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.254 3.858 3.151 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.204 4.257 2.347 1.00 0.00 C ATOM 0 H PHE A 96 6.979 6.156 8.808 1.00 0.00 H new ATOM 0 HA PHE A 96 5.537 4.525 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.028 6.563 6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.408 5.518 6.783 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.486 6.105 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.134 3.953 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.390 5.377 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.032 3.225 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.161 3.937 1.316 1.00 0.00 H new ATOM 1493 N ASP A 97 8.269 3.217 8.327 1.00 0.00 N ATOM 1494 CA ASP A 97 8.914 1.938 8.645 1.00 0.00 C ATOM 1495 C ASP A 97 7.930 0.959 9.315 1.00 0.00 C ATOM 1496 O ASP A 97 7.877 -0.213 8.954 1.00 0.00 O ATOM 1497 CB ASP A 97 10.137 2.162 9.547 1.00 0.00 C ATOM 1498 CG ASP A 97 11.361 2.628 8.772 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.417 3.811 8.386 1.00 0.00 O ATOM 1500 OD2 ASP A 97 12.279 1.808 8.549 1.00 0.00 O ATOM 0 H ASP A 97 8.735 4.033 8.723 1.00 0.00 H new ATOM 0 HA ASP A 97 9.243 1.492 7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.891 2.902 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.374 1.234 10.068 1.00 0.00 H new ATOM 1505 N ALA A 98 7.146 1.454 10.276 1.00 0.00 N ATOM 1506 CA ALA A 98 6.176 0.623 11.007 1.00 0.00 C ATOM 1507 C ALA A 98 5.104 0.028 10.075 1.00 0.00 C ATOM 1508 O ALA A 98 4.936 -1.198 9.995 1.00 0.00 O ATOM 1509 CB ALA A 98 5.518 1.442 12.114 1.00 0.00 C ATOM 0 H ALA A 98 7.162 2.431 10.570 1.00 0.00 H new ATOM 0 HA ALA A 98 6.722 -0.212 11.446 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.802 0.820 12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.281 1.796 12.807 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.001 2.296 11.676 1.00 0.00 H new ATOM 1515 N ILE A 99 4.380 0.893 9.361 1.00 0.00 N ATOM 1516 CA ILE A 99 3.361 0.429 8.413 1.00 0.00 C ATOM 1517 C ILE A 99 3.989 -0.504 7.361 1.00 0.00 C ATOM 1518 O ILE A 99 3.343 -1.419 6.853 1.00 0.00 O ATOM 1519 CB ILE A 99 2.639 1.618 7.715 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.450 1.118 6.870 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.615 2.417 6.852 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.679 2.228 6.179 1.00 0.00 C ATOM 0 H ILE A 99 4.477 1.907 9.419 1.00 0.00 H new ATOM 0 HA ILE A 99 2.614 -0.126 8.981 1.00 0.00 H new ATOM 0 HB ILE A 99 2.252 2.278 8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.819 0.422 6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.768 0.561 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.087 3.242 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.415 2.812 7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.040 1.767 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.141 1.798 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.279 2.913 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.345 2.771 5.509 1.00 0.00 H new ATOM 1534 N CYS A 100 5.271 -0.272 7.066 1.00 0.00 N ATOM 1535 CA CYS A 100 6.029 -1.137 6.157 1.00 0.00 C ATOM 1536 C CYS A 100 6.568 -2.389 6.870 1.00 0.00 C ATOM 1537 O CYS A 100 6.927 -3.359 6.219 1.00 0.00 O ATOM 1538 CB CYS A 100 7.184 -0.365 5.511 1.00 0.00 C ATOM 1539 SG CYS A 100 6.650 0.981 4.427 1.00 0.00 S ATOM 0 H CYS A 100 5.807 0.509 7.444 1.00 0.00 H new ATOM 0 HA CYS A 100 5.339 -1.466 5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.819 0.044 6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.796 -1.060 4.936 1.00 0.00 H new ATOM 0 HG CYS A 100 6.510 2.070 5.124 1.00 0.00 H new ATOM 1545 N GLN A 101 6.647 -2.371 8.202 1.00 0.00 N ATOM 1546 CA GLN A 101 6.970 -3.591 8.961 1.00 0.00 C ATOM 1547 C GLN A 101 5.852 -4.624 8.786 1.00 0.00 C ATOM 1548 O GLN A 101 6.092 -5.830 8.770 1.00 0.00 O ATOM 1549 CB GLN A 101 7.161 -3.299 10.464 1.00 0.00 C ATOM 1550 CG GLN A 101 8.449 -2.559 10.818 1.00 0.00 C ATOM 1551 CD GLN A 101 8.651 -2.400 12.323 1.00 0.00 C ATOM 1552 OE1 GLN A 101 8.200 -3.369 13.099 1.00 0.00 O flip ATOM 1553 NE2 GLN A 101 9.228 -1.420 12.787 1.00 0.00 N flip ATOM 0 H GLN A 101 6.495 -1.541 8.775 1.00 0.00 H new ATOM 0 HA GLN A 101 7.909 -3.982 8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.313 -2.711 10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.141 -4.243 11.008 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.298 -3.098 10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.435 -1.573 10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.567 -0.686 12.165 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.369 -1.340 13.794 1.00 0.00 H new ATOM 1562 N LEU A 102 4.623 -4.122 8.670 1.00 0.00 N ATOM 1563 CA LEU A 102 3.446 -4.975 8.435 1.00 0.00 C ATOM 1564 C LEU A 102 3.361 -5.480 6.975 1.00 0.00 C ATOM 1565 O LEU A 102 2.560 -6.363 6.666 1.00 0.00 O ATOM 1566 CB LEU A 102 2.166 -4.196 8.783 1.00 0.00 C ATOM 1567 CG LEU A 102 2.096 -3.641 10.218 1.00 0.00 C ATOM 1568 CD1 LEU A 102 0.818 -2.834 10.421 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.191 -4.770 11.245 1.00 0.00 C ATOM 0 H LEU A 102 4.411 -3.126 8.734 1.00 0.00 H new ATOM 0 HA LEU A 102 3.547 -5.850 9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.067 -3.364 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.309 -4.850 8.623 1.00 0.00 H new ATOM 0 HG LEU A 102 2.948 -2.977 10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.788 -2.451 11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.799 -2.000 9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.048 -3.474 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.139 -4.352 12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.365 -5.466 11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.137 -5.297 11.119 1.00 0.00 H new ATOM 1581 N VAL A 103 4.186 -4.925 6.079 1.00 0.00 N ATOM 1582 CA VAL A 103 4.082 -5.232 4.638 1.00 0.00 C ATOM 1583 C VAL A 103 5.383 -5.825 4.049 1.00 0.00 C ATOM 1584 O VAL A 103 5.350 -6.857 3.385 1.00 0.00 O ATOM 1585 CB VAL A 103 3.689 -3.967 3.829 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.584 -4.278 2.336 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.379 -3.377 4.355 1.00 0.00 C ATOM 0 H VAL A 103 4.928 -4.267 6.318 1.00 0.00 H new ATOM 0 HA VAL A 103 3.302 -5.989 4.551 1.00 0.00 H new ATOM 0 HB VAL A 103 4.477 -3.225 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.307 -3.373 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.545 -4.640 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.824 -5.043 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.120 -2.491 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.584 -4.117 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.499 -3.103 5.403 1.00 0.00 H new ATOM 1597 N ALA A 104 6.513 -5.162 4.282 1.00 0.00 N ATOM 1598 CA ALA A 104 7.811 -5.564 3.704 1.00 0.00 C ATOM 1599 C ALA A 104 8.124 -7.062 3.900 1.00 0.00 C ATOM 1600 O ALA A 104 8.326 -7.527 5.022 1.00 0.00 O ATOM 1601 CB ALA A 104 8.931 -4.715 4.302 1.00 0.00 C ATOM 0 H ALA A 104 6.564 -4.333 4.873 1.00 0.00 H new ATOM 0 HA ALA A 104 7.744 -5.395 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.886 -5.017 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.749 -3.664 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.959 -4.858 5.382 1.00 0.00 H new ATOM 1607 N GLY A 105 8.170 -7.807 2.792 1.00 0.00 N ATOM 1608 CA GLY A 105 8.442 -9.244 2.850 1.00 0.00 C ATOM 1609 C GLY A 105 7.175 -10.096 2.955 1.00 0.00 C ATOM 1610 O GLY A 105 7.132 -11.219 2.441 1.00 0.00 O ATOM 0 H GLY A 105 8.023 -7.441 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.996 -9.538 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.083 -9.451 3.707 1.00 0.00 H new ATOM 1614 N LYS A 106 6.148 -9.543 3.601 1.00 0.00 N ATOM 1615 CA LYS A 106 4.864 -10.228 3.827 1.00 0.00 C ATOM 1616 C LYS A 106 4.321 -10.907 2.551 1.00 0.00 C ATOM 1617 O LYS A 106 4.305 -10.315 1.469 1.00 0.00 O ATOM 1618 CB LYS A 106 3.851 -9.198 4.359 1.00 0.00 C ATOM 1619 CG LYS A 106 2.425 -9.708 4.534 1.00 0.00 C ATOM 1620 CD LYS A 106 2.329 -10.839 5.550 1.00 0.00 C ATOM 1621 CE LYS A 106 0.875 -11.198 5.828 1.00 0.00 C ATOM 1622 NZ LYS A 106 0.106 -11.381 4.571 1.00 0.00 N ATOM 0 H LYS A 106 6.179 -8.599 3.987 1.00 0.00 H new ATOM 0 HA LYS A 106 5.022 -11.024 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.206 -8.829 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.833 -8.347 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.785 -8.885 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.046 -10.055 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.859 -11.715 5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.818 -10.542 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.832 -12.114 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.414 -10.412 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.806 -11.833 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.062 -10.455 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.647 -11.983 3.918 1.00 0.00 H new ATOM 1636 N GLU A 107 3.888 -12.161 2.695 1.00 0.00 N ATOM 1637 CA GLU A 107 3.318 -12.930 1.579 1.00 0.00 C ATOM 1638 C GLU A 107 1.823 -12.609 1.383 1.00 0.00 C ATOM 1639 O GLU A 107 1.142 -12.186 2.323 1.00 0.00 O ATOM 1640 CB GLU A 107 3.492 -14.433 1.841 1.00 0.00 C ATOM 1641 CG GLU A 107 2.619 -14.961 2.972 1.00 0.00 C ATOM 1642 CD GLU A 107 2.915 -16.407 3.321 1.00 0.00 C ATOM 1643 OE1 GLU A 107 3.778 -16.648 4.191 1.00 0.00 O ATOM 1644 OE2 GLU A 107 2.277 -17.309 2.734 1.00 0.00 O ATOM 0 H GLU A 107 3.920 -12.671 3.578 1.00 0.00 H new ATOM 0 HA GLU A 107 3.849 -12.649 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.260 -14.981 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.537 -14.633 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.766 -14.342 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.571 -14.868 2.688 1.00 0.00 H new ATOM 1651 N PRO A 108 1.286 -12.816 0.163 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.131 -12.557 -0.133 1.00 0.00 C ATOM 1653 C PRO A 108 -1.064 -13.684 0.341 1.00 0.00 C ATOM 1654 O PRO A 108 -0.743 -14.870 0.209 1.00 0.00 O ATOM 1655 CB PRO A 108 -0.140 -12.450 -1.661 1.00 0.00 C ATOM 1656 CG PRO A 108 0.948 -13.370 -2.099 1.00 0.00 C ATOM 1657 CD PRO A 108 2.012 -13.303 -1.031 1.00 0.00 C ATOM 0 HA PRO A 108 -0.502 -11.671 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.103 -12.747 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.047 -11.428 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.575 -14.388 -2.213 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.348 -13.067 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.463 -14.280 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.819 -12.626 -1.312 1.00 0.00 H new ATOM 1665 N ALA A 109 -2.219 -13.306 0.895 1.00 0.00 N ATOM 1666 CA ALA A 109 -3.214 -14.277 1.370 1.00 0.00 C ATOM 1667 C ALA A 109 -2.610 -15.230 2.415 1.00 0.00 C ATOM 1668 O ALA A 109 -2.702 -16.452 2.293 1.00 0.00 O ATOM 1669 CB ALA A 109 -3.803 -15.056 0.194 1.00 0.00 C ATOM 0 H ALA A 109 -2.491 -12.332 1.027 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.019 -13.726 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.538 -15.771 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.285 -14.364 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.006 -15.590 -0.324 1.00 0.00 H new