USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 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 54 LYS NZ :NH3+ 178:sc= -0.423 (180deg=-1.04) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0.46 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.0105 USER MOD Set 2.2: A 69 THR OG1 : rot -87:sc= 0.978 USER MOD Set 2.3: A 91 ASN : amide:sc= 0.0607 K(o=1,f=-1.8) USER MOD Set 3.1: A 14 THR OG1 : rot 10:sc= 1.47 USER MOD Set 3.2: A 17 SER OG : rot 73:sc= 0.0501! USER MOD Single : A 16 THR OG1 : rot -38:sc= -0.652! USER MOD Single : A 21 SER OG : rot -140:sc= -1.71 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.491 USER MOD Single : A 36 TYR OH : rot -7:sc= 1.69 USER MOD Single : A 46 GLN : amide:sc= -1.24 K(o=-1.2,f=-2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 162:sc= -0.658 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.195) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0704 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.67 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.411 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.517 2.329 -6.040 1.00 0.00 N ATOM 109 CA LEU A 8 7.600 1.158 -5.942 1.00 0.00 C ATOM 110 C LEU A 8 8.390 -0.140 -5.924 1.00 0.00 C ATOM 111 O LEU A 8 8.928 -0.560 -6.930 1.00 0.00 O ATOM 112 CB LEU A 8 6.626 1.127 -7.157 1.00 0.00 C ATOM 113 CG LEU A 8 6.777 2.392 -8.020 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.972 2.217 -8.961 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.509 2.577 -8.858 1.00 0.00 C ATOM 0 HA LEU A 8 7.034 1.256 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.824 0.243 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.599 1.046 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 8 6.932 3.260 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.085 3.110 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.878 2.063 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.805 1.353 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.607 3.471 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.368 1.708 -9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.649 2.683 -8.197 1.00 0.00 H new ATOM 127 N GLU A 9 8.448 -0.749 -4.774 1.00 0.00 N ATOM 128 CA GLU A 9 9.197 -2.025 -4.657 1.00 0.00 C ATOM 129 C GLU A 9 8.658 -2.868 -3.506 1.00 0.00 C ATOM 130 O GLU A 9 7.775 -2.446 -2.781 1.00 0.00 O ATOM 131 CB GLU A 9 10.673 -1.696 -4.378 1.00 0.00 C ATOM 132 CG GLU A 9 10.786 -1.026 -3.008 1.00 0.00 C ATOM 133 CD GLU A 9 11.962 -0.045 -3.022 1.00 0.00 C ATOM 134 OE1 GLU A 9 11.772 1.019 -3.587 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.982 -0.415 -2.464 1.00 0.00 O ATOM 0 H GLU A 9 8.010 -0.418 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 9 9.087 -2.588 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.272 -2.606 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.064 -1.036 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.861 -0.500 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.934 -1.778 -2.233 1.00 0.00 H new ATOM 142 N VAL A 10 9.199 -4.050 -3.361 1.00 0.00 N ATOM 143 CA VAL A 10 8.734 -4.937 -2.267 1.00 0.00 C ATOM 144 C VAL A 10 9.607 -4.771 -1.027 1.00 0.00 C ATOM 145 O VAL A 10 10.819 -4.776 -1.115 1.00 0.00 O ATOM 146 CB VAL A 10 8.826 -6.390 -2.748 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.064 -7.288 -1.770 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.185 -6.504 -4.133 1.00 0.00 C ATOM 0 H VAL A 10 9.938 -4.433 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 10 7.708 -4.676 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 10 9.871 -6.697 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.124 -8.324 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.505 -7.201 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.019 -6.979 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.248 -7.536 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.139 -6.204 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.711 -5.854 -4.832 1.00 0.00 H new ATOM 158 N VAL A 11 8.964 -4.631 0.108 1.00 0.00 N ATOM 159 CA VAL A 11 9.724 -4.460 1.381 1.00 0.00 C ATOM 160 C VAL A 11 9.564 -5.677 2.284 1.00 0.00 C ATOM 161 O VAL A 11 10.170 -5.759 3.335 1.00 0.00 O ATOM 162 CB VAL A 11 9.155 -3.236 2.114 1.00 0.00 C ATOM 163 CG1 VAL A 11 10.305 -2.425 2.707 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.380 -2.367 1.119 1.00 0.00 C ATOM 0 H VAL A 11 7.949 -4.628 0.205 1.00 0.00 H new ATOM 0 HA VAL A 11 10.781 -4.335 1.148 1.00 0.00 H new ATOM 0 HB VAL A 11 8.488 -3.562 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.906 -1.555 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.863 -3.044 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.968 -2.096 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.974 -1.497 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.050 -2.038 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.564 -2.947 0.688 1.00 0.00 H new ATOM 174 N ALA A 12 8.749 -6.601 1.863 1.00 0.00 N ATOM 175 CA ALA A 12 8.538 -7.817 2.685 1.00 0.00 C ATOM 176 C ALA A 12 7.736 -8.851 1.908 1.00 0.00 C ATOM 177 O ALA A 12 6.861 -8.507 1.138 1.00 0.00 O ATOM 178 CB ALA A 12 7.752 -7.419 3.945 1.00 0.00 C ATOM 0 H ALA A 12 8.223 -6.566 0.990 1.00 0.00 H new ATOM 0 HA ALA A 12 9.504 -8.248 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.586 -8.301 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.320 -6.680 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.791 -6.993 3.655 1.00 0.00 H new ATOM 184 N ALA A 13 8.049 -10.100 2.123 1.00 0.00 N ATOM 185 CA ALA A 13 7.316 -11.169 1.403 1.00 0.00 C ATOM 186 C ALA A 13 7.124 -12.389 2.294 1.00 0.00 C ATOM 187 O ALA A 13 8.039 -13.169 2.484 1.00 0.00 O ATOM 188 CB ALA A 13 8.147 -11.580 0.179 1.00 0.00 C ATOM 0 H ALA A 13 8.776 -10.421 2.762 1.00 0.00 H new ATOM 0 HA ALA A 13 6.336 -10.794 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.626 -12.367 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.286 -10.717 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.119 -11.948 0.506 1.00 0.00 H new ATOM 194 N THR A 14 5.936 -12.536 2.823 1.00 0.00 N ATOM 195 CA THR A 14 5.667 -13.701 3.704 1.00 0.00 C ATOM 196 C THR A 14 4.984 -14.837 2.899 1.00 0.00 C ATOM 197 O THR A 14 4.304 -14.571 1.926 1.00 0.00 O ATOM 198 CB THR A 14 4.720 -13.233 4.823 1.00 0.00 C ATOM 199 OG1 THR A 14 3.672 -12.558 4.169 1.00 0.00 O ATOM 200 CG2 THR A 14 5.388 -12.153 5.685 1.00 0.00 C ATOM 0 H THR A 14 5.149 -11.902 2.682 1.00 0.00 H new ATOM 0 HA THR A 14 6.602 -14.082 4.116 1.00 0.00 H new ATOM 0 HB THR A 14 4.423 -14.085 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.740 -12.706 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.701 -11.837 6.470 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.294 -12.557 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.645 -11.297 5.061 1.00 0.00 H new ATOM 208 N PRO A 15 5.170 -16.097 3.320 1.00 0.00 N ATOM 209 CA PRO A 15 4.559 -17.236 2.617 1.00 0.00 C ATOM 210 C PRO A 15 3.025 -17.150 2.568 1.00 0.00 C ATOM 211 O PRO A 15 2.365 -18.121 2.259 1.00 0.00 O ATOM 212 CB PRO A 15 4.972 -18.478 3.439 1.00 0.00 C ATOM 213 CG PRO A 15 5.804 -17.977 4.657 1.00 0.00 C ATOM 214 CD PRO A 15 5.997 -16.465 4.489 1.00 0.00 C ATOM 0 HA PRO A 15 4.894 -17.264 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.092 -19.026 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.560 -19.164 2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.287 -18.197 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.768 -18.485 4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.680 -15.926 5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.046 -16.218 4.323 1.00 0.00 H new ATOM 222 N THR A 16 2.484 -15.999 2.874 1.00 0.00 N ATOM 223 CA THR A 16 1.005 -15.863 2.841 1.00 0.00 C ATOM 224 C THR A 16 0.594 -14.405 2.728 1.00 0.00 C ATOM 225 O THR A 16 -0.515 -14.043 3.073 1.00 0.00 O ATOM 226 CB THR A 16 0.439 -16.433 4.147 1.00 0.00 C ATOM 227 OG1 THR A 16 1.196 -17.597 4.408 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.999 -16.939 3.948 1.00 0.00 C ATOM 0 H THR A 16 2.998 -15.160 3.142 1.00 0.00 H new ATOM 0 HA THR A 16 0.620 -16.401 1.975 1.00 0.00 H new ATOM 0 HB THR A 16 0.469 -15.670 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.378 -18.064 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.378 -17.338 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.633 -16.114 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.007 -17.724 3.191 1.00 0.00 H new ATOM 236 N SER A 17 1.490 -13.585 2.250 1.00 0.00 N ATOM 237 CA SER A 17 1.153 -12.148 2.113 1.00 0.00 C ATOM 238 C SER A 17 2.370 -11.335 1.681 1.00 0.00 C ATOM 239 O SER A 17 3.492 -11.677 1.992 1.00 0.00 O ATOM 240 CB SER A 17 0.668 -11.635 3.480 1.00 0.00 C ATOM 241 OG SER A 17 1.273 -12.511 4.419 1.00 0.00 O ATOM 0 H SER A 17 2.430 -13.848 1.953 1.00 0.00 H new ATOM 0 HA SER A 17 0.380 -12.036 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.972 -10.602 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.419 -11.664 3.553 1.00 0.00 H new ATOM 0 HG SER A 17 2.231 -12.313 4.481 1.00 0.00 H new ATOM 247 N LEU A 18 2.113 -10.271 0.960 1.00 0.00 N ATOM 248 CA LEU A 18 3.223 -9.402 0.485 1.00 0.00 C ATOM 249 C LEU A 18 2.976 -7.952 0.893 1.00 0.00 C ATOM 250 O LEU A 18 1.854 -7.568 1.157 1.00 0.00 O ATOM 251 CB LEU A 18 3.271 -9.481 -1.054 1.00 0.00 C ATOM 252 CG LEU A 18 4.659 -9.044 -1.542 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.484 -10.284 -1.883 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.517 -8.181 -2.797 1.00 0.00 C ATOM 0 H LEU A 18 1.179 -9.970 0.682 1.00 0.00 H new ATOM 0 HA LEU A 18 4.161 -9.739 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.061 -10.498 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.503 -8.840 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 18 5.153 -8.469 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.471 -9.980 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.588 -10.907 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.982 -10.851 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.505 -7.873 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.024 -8.756 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.921 -7.298 -2.566 1.00 0.00 H new ATOM 266 N LEU A 19 4.034 -7.178 0.951 1.00 0.00 N ATOM 267 CA LEU A 19 3.887 -5.744 1.341 1.00 0.00 C ATOM 268 C LEU A 19 4.528 -4.844 0.293 1.00 0.00 C ATOM 269 O LEU A 19 5.723 -4.902 0.078 1.00 0.00 O ATOM 270 CB LEU A 19 4.609 -5.523 2.687 1.00 0.00 C ATOM 271 CG LEU A 19 3.785 -4.562 3.559 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.458 -4.422 4.928 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.726 -3.187 2.884 1.00 0.00 C ATOM 0 H LEU A 19 4.987 -7.477 0.746 1.00 0.00 H new ATOM 0 HA LEU A 19 2.828 -5.501 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.741 -6.475 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.604 -5.112 2.515 1.00 0.00 H new ATOM 0 HG LEU A 19 2.775 -4.953 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.878 -3.741 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.510 -5.399 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.465 -4.026 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.142 -2.504 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.737 -2.796 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.257 -3.282 1.905 1.00 0.00 H new ATOM 285 N ILE A 20 3.719 -4.030 -0.340 1.00 0.00 N ATOM 286 CA ILE A 20 4.260 -3.116 -1.381 1.00 0.00 C ATOM 287 C ILE A 20 4.317 -1.676 -0.873 1.00 0.00 C ATOM 288 O ILE A 20 3.547 -1.286 -0.018 1.00 0.00 O ATOM 289 CB ILE A 20 3.340 -3.193 -2.607 1.00 0.00 C ATOM 290 CG1 ILE A 20 1.914 -2.768 -2.248 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.300 -4.652 -3.077 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.477 -1.643 -3.190 1.00 0.00 C ATOM 0 H ILE A 20 2.714 -3.962 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 20 5.275 -3.420 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 20 3.722 -2.528 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.235 -3.616 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.871 -2.430 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.652 -4.736 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.306 -4.977 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.913 -5.282 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.462 -1.334 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.152 -0.794 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.506 -1.999 -4.220 1.00 0.00 H new ATOM 304 N SER A 21 5.235 -0.911 -1.407 1.00 0.00 N ATOM 305 CA SER A 21 5.352 0.503 -0.962 1.00 0.00 C ATOM 306 C SER A 21 5.878 1.387 -2.084 1.00 0.00 C ATOM 307 O SER A 21 6.929 1.121 -2.633 1.00 0.00 O ATOM 308 CB SER A 21 6.344 0.557 0.211 1.00 0.00 C ATOM 309 OG SER A 21 6.022 -0.585 0.990 1.00 0.00 O ATOM 0 H SER A 21 5.900 -1.203 -2.123 1.00 0.00 H new ATOM 0 HA SER A 21 4.367 0.865 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.376 0.523 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.232 1.476 0.786 1.00 0.00 H new ATOM 0 HG SER A 21 6.073 -0.357 1.942 1.00 0.00 H new ATOM 315 N TRP A 22 5.134 2.435 -2.403 1.00 0.00 N ATOM 316 CA TRP A 22 5.584 3.346 -3.491 1.00 0.00 C ATOM 317 C TRP A 22 5.559 4.797 -3.045 1.00 0.00 C ATOM 318 O TRP A 22 5.482 5.077 -1.864 1.00 0.00 O ATOM 319 CB TRP A 22 4.708 3.132 -4.762 1.00 0.00 C ATOM 320 CG TRP A 22 3.301 3.727 -4.609 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.900 4.826 -5.230 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.309 3.182 -3.922 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.603 4.933 -4.891 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.150 3.930 -4.058 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.284 2.036 -3.142 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.011 3.543 -3.421 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.117 1.655 -2.504 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.025 2.408 -2.645 1.00 0.00 C ATOM 0 H TRP A 22 4.251 2.685 -1.958 1.00 0.00 H new ATOM 0 HA TRP A 22 6.618 3.104 -3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.201 3.588 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.628 2.065 -4.969 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.480 5.483 -5.861 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.005 5.691 -5.221 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.178 1.439 -3.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.909 4.132 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.103 0.764 -1.894 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.934 2.107 -2.146 1.00 0.00 H new ATOM 415 N VAL A 29 -3.921 15.236 -4.742 1.00 0.00 N ATOM 416 CA VAL A 29 -4.195 13.826 -5.098 1.00 0.00 C ATOM 417 C VAL A 29 -5.538 13.384 -4.546 1.00 0.00 C ATOM 418 O VAL A 29 -5.750 13.394 -3.348 1.00 0.00 O ATOM 419 CB VAL A 29 -3.101 12.946 -4.468 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.555 11.481 -4.485 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.811 13.079 -5.273 1.00 0.00 C ATOM 0 HA VAL A 29 -4.207 13.730 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.926 13.267 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.782 10.855 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.478 11.379 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.728 11.166 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.037 12.455 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.988 12.758 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.486 14.119 -5.270 1.00 0.00 H new ATOM 431 N ARG A 30 -6.425 13.002 -5.416 1.00 0.00 N ATOM 432 CA ARG A 30 -7.749 12.558 -4.938 1.00 0.00 C ATOM 433 C ARG A 30 -7.656 11.129 -4.442 1.00 0.00 C ATOM 434 O ARG A 30 -7.776 10.869 -3.262 1.00 0.00 O ATOM 435 CB ARG A 30 -8.740 12.621 -6.103 1.00 0.00 C ATOM 436 CG ARG A 30 -9.192 14.075 -6.301 1.00 0.00 C ATOM 437 CD ARG A 30 -10.106 14.507 -5.140 1.00 0.00 C ATOM 438 NE ARG A 30 -9.410 15.549 -4.331 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.023 16.670 -4.069 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.764 16.748 -2.996 1.00 0.00 N ATOM 441 NH2 ARG A 30 -9.867 17.677 -4.881 1.00 0.00 N ATOM 0 H ARG A 30 -6.289 12.979 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.083 13.203 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.274 12.245 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.601 11.984 -5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.323 14.730 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.723 14.173 -7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.047 14.898 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.352 13.648 -4.515 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.464 15.386 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.855 15.940 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.251 17.616 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.274 17.581 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.338 18.562 -4.693 1.00 0.00 H new ATOM 455 N TYR A 31 -7.429 10.221 -5.352 1.00 0.00 N ATOM 456 CA TYR A 31 -7.325 8.799 -4.937 1.00 0.00 C ATOM 457 C TYR A 31 -6.383 8.020 -5.838 1.00 0.00 C ATOM 458 O TYR A 31 -6.175 8.365 -6.987 1.00 0.00 O ATOM 459 CB TYR A 31 -8.707 8.126 -5.039 1.00 0.00 C ATOM 460 CG TYR A 31 -9.818 9.129 -4.734 1.00 0.00 C ATOM 461 CD1 TYR A 31 -10.025 9.575 -3.448 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.644 9.583 -5.740 1.00 0.00 C ATOM 463 CE1 TYR A 31 -11.041 10.464 -3.169 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.661 10.472 -5.463 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.868 10.920 -4.175 1.00 0.00 C ATOM 466 OH TYR A 31 -12.884 11.811 -3.897 1.00 0.00 O ATOM 0 H TYR A 31 -7.313 10.401 -6.349 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.947 8.791 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.845 7.716 -6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.763 7.290 -4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.386 9.225 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.493 9.240 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.191 10.806 -2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.300 10.820 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.366 12.026 -4.723 1.00 0.00 H new ATOM 476 N TYR A 32 -5.837 6.980 -5.284 1.00 0.00 N ATOM 477 CA TYR A 32 -4.901 6.124 -6.046 1.00 0.00 C ATOM 478 C TYR A 32 -5.587 4.791 -6.299 1.00 0.00 C ATOM 479 O TYR A 32 -6.590 4.498 -5.677 1.00 0.00 O ATOM 480 CB TYR A 32 -3.642 5.881 -5.190 1.00 0.00 C ATOM 481 CG TYR A 32 -2.464 6.683 -5.753 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.310 8.018 -5.439 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.532 6.079 -6.571 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.241 8.736 -5.938 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.462 6.801 -7.068 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.313 8.133 -6.754 1.00 0.00 C ATOM 487 OH TYR A 32 0.753 8.855 -7.248 1.00 0.00 O ATOM 0 H TYR A 32 -6.003 6.684 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.623 6.599 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.832 6.174 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.398 4.819 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.031 8.505 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.638 5.035 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.133 9.780 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.262 6.316 -7.707 1.00 0.00 H new ATOM 0 HH TYR A 32 1.311 8.274 -7.806 1.00 0.00 H new ATOM 497 N ARG A 33 -5.061 4.002 -7.193 1.00 0.00 N ATOM 498 CA ARG A 33 -5.719 2.693 -7.454 1.00 0.00 C ATOM 499 C ARG A 33 -4.696 1.644 -7.811 1.00 0.00 C ATOM 500 O ARG A 33 -4.101 1.686 -8.865 1.00 0.00 O ATOM 501 CB ARG A 33 -6.714 2.872 -8.611 1.00 0.00 C ATOM 502 CG ARG A 33 -7.026 1.513 -9.247 1.00 0.00 C ATOM 503 CD ARG A 33 -8.394 1.592 -9.928 1.00 0.00 C ATOM 504 NE ARG A 33 -8.628 0.345 -10.707 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.591 0.316 -11.589 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.828 0.327 -11.172 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.284 0.279 -12.856 1.00 0.00 N ATOM 0 H ARG A 33 -4.225 4.199 -7.742 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.240 2.362 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.632 3.331 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.297 3.546 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.257 1.250 -9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.027 0.732 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.178 1.721 -9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.436 2.459 -10.587 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.043 -0.477 -10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.029 0.358 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.594 0.305 -11.846 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.305 0.273 -13.144 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.022 0.256 -13.559 1.00 0.00 H new ATOM 521 N ILE A 34 -4.522 0.710 -6.917 1.00 0.00 N ATOM 522 CA ILE A 34 -3.537 -0.369 -7.163 1.00 0.00 C ATOM 523 C ILE A 34 -4.221 -1.665 -7.585 1.00 0.00 C ATOM 524 O ILE A 34 -4.992 -2.236 -6.840 1.00 0.00 O ATOM 525 CB ILE A 34 -2.767 -0.611 -5.864 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.217 0.718 -5.337 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.573 -1.525 -6.170 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.228 1.388 -4.387 1.00 0.00 C ATOM 0 H ILE A 34 -5.021 0.651 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.871 -0.063 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.431 -1.062 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.277 0.546 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.999 1.384 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.011 -1.709 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.933 -2.472 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.925 -1.044 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.817 2.330 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.158 1.580 -4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.425 0.729 -3.542 1.00 0.00 H new ATOM 540 N THR A 35 -3.918 -2.099 -8.787 1.00 0.00 N ATOM 541 CA THR A 35 -4.524 -3.354 -9.308 1.00 0.00 C ATOM 542 C THR A 35 -3.435 -4.376 -9.611 1.00 0.00 C ATOM 543 O THR A 35 -2.426 -4.042 -10.203 1.00 0.00 O ATOM 544 CB THR A 35 -5.269 -3.029 -10.609 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.271 -2.996 -11.609 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.836 -1.598 -10.581 1.00 0.00 C ATOM 0 H THR A 35 -3.275 -1.632 -9.427 1.00 0.00 H new ATOM 0 HA THR A 35 -5.205 -3.766 -8.563 1.00 0.00 H new ATOM 0 HB THR A 35 -6.071 -3.751 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.144 -2.073 -11.914 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.359 -1.395 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.531 -1.498 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.020 -0.886 -10.460 1.00 0.00 H new ATOM 554 N TYR A 36 -3.660 -5.607 -9.203 1.00 0.00 N ATOM 555 CA TYR A 36 -2.650 -6.666 -9.456 1.00 0.00 C ATOM 556 C TYR A 36 -3.271 -7.830 -10.202 1.00 0.00 C ATOM 557 O TYR A 36 -4.474 -8.025 -10.166 1.00 0.00 O ATOM 558 CB TYR A 36 -2.100 -7.167 -8.095 1.00 0.00 C ATOM 559 CG TYR A 36 -3.166 -6.996 -6.999 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.534 -5.736 -6.569 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.766 -8.099 -6.423 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.484 -5.581 -5.586 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.720 -7.939 -5.432 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.085 -6.679 -5.010 1.00 0.00 C ATOM 565 OH TYR A 36 -6.037 -6.518 -4.027 1.00 0.00 O ATOM 0 H TYR A 36 -4.498 -5.914 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.845 -6.252 -10.064 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.813 -8.216 -8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.202 -6.610 -7.830 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.072 -4.864 -7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.490 -9.091 -6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.761 -4.589 -5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.181 -8.808 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.093 -5.572 -3.778 1.00 0.00 H new ATOM 575 N GLY A 37 -2.441 -8.571 -10.887 1.00 0.00 N ATOM 576 CA GLY A 37 -2.956 -9.739 -11.653 1.00 0.00 C ATOM 577 C GLY A 37 -1.814 -10.426 -12.408 1.00 0.00 C ATOM 578 O GLY A 37 -1.043 -9.780 -13.091 1.00 0.00 O ATOM 0 H GLY A 37 -1.434 -8.418 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.430 -10.448 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.721 -9.412 -12.357 1.00 0.00 H new ATOM 582 N GLU A 38 -1.725 -11.722 -12.268 1.00 0.00 N ATOM 583 CA GLU A 38 -0.656 -12.453 -12.962 1.00 0.00 C ATOM 584 C GLU A 38 -0.974 -12.589 -14.444 1.00 0.00 C ATOM 585 O GLU A 38 -2.116 -12.759 -14.822 1.00 0.00 O ATOM 586 CB GLU A 38 -0.566 -13.849 -12.340 1.00 0.00 C ATOM 587 CG GLU A 38 -1.861 -14.609 -12.615 1.00 0.00 C ATOM 588 CD GLU A 38 -1.698 -15.440 -13.890 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.895 -16.358 -13.839 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.384 -15.111 -14.844 1.00 0.00 O ATOM 0 H GLU A 38 -2.351 -12.295 -11.701 1.00 0.00 H new ATOM 0 HA GLU A 38 0.285 -11.913 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.283 -14.391 -12.757 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.398 -13.771 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.102 -15.258 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.690 -13.910 -12.726 1.00 0.00 H new ATOM 597 N THR A 39 0.039 -12.513 -15.260 1.00 0.00 N ATOM 598 CA THR A 39 -0.197 -12.637 -16.719 1.00 0.00 C ATOM 599 C THR A 39 -0.705 -14.031 -17.068 1.00 0.00 C ATOM 600 O THR A 39 -0.463 -14.980 -16.347 1.00 0.00 O ATOM 601 CB THR A 39 1.127 -12.400 -17.448 1.00 0.00 C ATOM 602 OG1 THR A 39 1.684 -11.249 -16.849 1.00 0.00 O ATOM 603 CG2 THR A 39 0.880 -11.996 -18.909 1.00 0.00 C ATOM 0 H THR A 39 1.010 -12.372 -14.981 1.00 0.00 H new ATOM 0 HA THR A 39 -0.946 -11.905 -17.020 1.00 0.00 H new ATOM 0 HB THR A 39 1.742 -13.299 -17.399 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.543 -11.042 -17.274 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.835 -11.833 -19.408 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.335 -12.791 -19.419 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.294 -11.078 -18.938 1.00 0.00 H new ATOM 664 N VAL A 45 -6.546 -10.246 -10.827 1.00 0.00 N ATOM 665 CA VAL A 45 -6.667 -10.864 -9.480 1.00 0.00 C ATOM 666 C VAL A 45 -7.587 -10.032 -8.613 1.00 0.00 C ATOM 667 O VAL A 45 -8.616 -10.493 -8.161 1.00 0.00 O ATOM 668 CB VAL A 45 -5.270 -10.907 -8.825 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.421 -10.980 -7.306 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.516 -12.138 -9.315 1.00 0.00 C ATOM 0 HA VAL A 45 -7.073 -11.871 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.716 -10.008 -9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.435 -11.010 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.961 -10.102 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.975 -11.880 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.529 -12.168 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.071 -13.036 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.407 -12.091 -10.399 1.00 0.00 H new ATOM 680 N GLN A 46 -7.195 -8.816 -8.395 1.00 0.00 N ATOM 681 CA GLN A 46 -8.024 -7.910 -7.558 1.00 0.00 C ATOM 682 C GLN A 46 -7.457 -6.495 -7.573 1.00 0.00 C ATOM 683 O GLN A 46 -6.435 -6.242 -8.176 1.00 0.00 O ATOM 684 CB GLN A 46 -8.032 -8.431 -6.108 1.00 0.00 C ATOM 685 CG GLN A 46 -9.447 -8.304 -5.545 1.00 0.00 C ATOM 686 CD GLN A 46 -10.348 -9.345 -6.211 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.127 -10.534 -6.100 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.372 -8.941 -6.911 1.00 0.00 N ATOM 0 H GLN A 46 -6.335 -8.406 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.037 -7.889 -7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.707 -9.471 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.331 -7.861 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.436 -8.452 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.834 -7.301 -5.725 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.562 -7.944 -7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.982 -9.623 -7.362 1.00 0.00 H new ATOM 697 N GLU A 47 -8.130 -5.597 -6.906 1.00 0.00 N ATOM 698 CA GLU A 47 -7.642 -4.194 -6.875 1.00 0.00 C ATOM 699 C GLU A 47 -8.376 -3.386 -5.809 1.00 0.00 C ATOM 700 O GLU A 47 -9.392 -3.812 -5.299 1.00 0.00 O ATOM 701 CB GLU A 47 -7.936 -3.563 -8.239 1.00 0.00 C ATOM 702 CG GLU A 47 -9.451 -3.526 -8.451 1.00 0.00 C ATOM 703 CD GLU A 47 -9.761 -3.715 -9.936 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.098 -3.051 -10.715 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.641 -4.514 -10.206 1.00 0.00 O ATOM 0 H GLU A 47 -8.989 -5.774 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.576 -4.191 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.524 -2.555 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.458 -4.139 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.930 -4.310 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.855 -2.576 -8.102 1.00 0.00 H new ATOM 712 N PHE A 48 -7.852 -2.227 -5.489 1.00 0.00 N ATOM 713 CA PHE A 48 -8.523 -1.394 -4.461 1.00 0.00 C ATOM 714 C PHE A 48 -8.049 0.050 -4.538 1.00 0.00 C ATOM 715 O PHE A 48 -6.980 0.327 -5.043 1.00 0.00 O ATOM 716 CB PHE A 48 -8.204 -1.958 -3.059 1.00 0.00 C ATOM 717 CG PHE A 48 -6.720 -2.336 -2.960 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.739 -1.358 -2.918 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.339 -3.667 -2.882 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.409 -1.707 -2.800 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.009 -4.008 -2.764 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.046 -3.028 -2.723 1.00 0.00 C ATOM 0 H PHE A 48 -7.002 -1.833 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.597 -1.419 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.449 -1.217 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.823 -2.834 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.017 -0.316 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.090 -4.442 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.651 -0.938 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.723 -5.048 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.004 -3.298 -2.630 1.00 0.00 H new ATOM 732 N THR A 49 -8.860 0.944 -4.030 1.00 0.00 N ATOM 733 CA THR A 49 -8.484 2.382 -4.058 1.00 0.00 C ATOM 734 C THR A 49 -7.994 2.847 -2.698 1.00 0.00 C ATOM 735 O THR A 49 -8.174 2.173 -1.703 1.00 0.00 O ATOM 736 CB THR A 49 -9.720 3.199 -4.439 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.715 2.829 -3.506 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.275 2.749 -5.798 1.00 0.00 C ATOM 0 H THR A 49 -9.761 0.737 -3.600 1.00 0.00 H new ATOM 0 HA THR A 49 -7.681 2.520 -4.782 1.00 0.00 H new ATOM 0 HB THR A 49 -9.469 4.259 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.540 3.323 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.153 3.344 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.513 2.887 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.553 1.696 -5.747 1.00 0.00 H new ATOM 746 N VAL A 50 -7.381 3.996 -2.682 1.00 0.00 N ATOM 747 CA VAL A 50 -6.869 4.530 -1.403 1.00 0.00 C ATOM 748 C VAL A 50 -6.816 6.089 -1.499 1.00 0.00 C ATOM 749 O VAL A 50 -6.581 6.621 -2.567 1.00 0.00 O ATOM 750 CB VAL A 50 -5.428 3.924 -1.203 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.373 5.032 -1.065 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.387 3.028 0.051 1.00 0.00 C ATOM 0 H VAL A 50 -7.215 4.583 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.504 4.264 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.199 3.327 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.389 4.583 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.370 5.645 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.610 5.655 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.384 2.618 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.647 3.619 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.101 2.212 -0.061 1.00 0.00 H new ATOM 762 N PRO A 51 -7.045 6.800 -0.382 1.00 0.00 N ATOM 763 CA PRO A 51 -7.014 8.276 -0.390 1.00 0.00 C ATOM 764 C PRO A 51 -5.654 8.846 -0.828 1.00 0.00 C ATOM 765 O PRO A 51 -5.360 10.000 -0.582 1.00 0.00 O ATOM 766 CB PRO A 51 -7.289 8.684 1.071 1.00 0.00 C ATOM 767 CG PRO A 51 -7.387 7.376 1.910 1.00 0.00 C ATOM 768 CD PRO A 51 -7.350 6.199 0.927 1.00 0.00 C ATOM 0 HA PRO A 51 -7.743 8.664 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.490 9.323 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.214 9.256 1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.561 7.311 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.308 7.361 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.591 5.471 1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.304 5.673 0.906 1.00 0.00 H new ATOM 776 N GLY A 52 -4.856 8.036 -1.464 1.00 0.00 N ATOM 777 CA GLY A 52 -3.523 8.524 -1.918 1.00 0.00 C ATOM 778 C GLY A 52 -2.657 8.934 -0.725 1.00 0.00 C ATOM 779 O GLY A 52 -1.519 9.323 -0.890 1.00 0.00 O ATOM 0 H GLY A 52 -5.066 7.063 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.019 7.742 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.651 9.374 -2.589 1.00 0.00 H new ATOM 783 N SER A 53 -3.209 8.842 0.452 1.00 0.00 N ATOM 784 CA SER A 53 -2.419 9.225 1.647 1.00 0.00 C ATOM 785 C SER A 53 -1.495 8.088 2.060 1.00 0.00 C ATOM 786 O SER A 53 -0.342 8.304 2.376 1.00 0.00 O ATOM 787 CB SER A 53 -3.387 9.520 2.802 1.00 0.00 C ATOM 788 OG SER A 53 -3.125 10.878 3.131 1.00 0.00 O ATOM 0 H SER A 53 -4.160 8.522 0.634 1.00 0.00 H new ATOM 0 HA SER A 53 -1.818 10.104 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.424 9.375 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.207 8.861 3.652 1.00 0.00 H new ATOM 0 HG SER A 53 -3.708 11.154 3.868 1.00 0.00 H new ATOM 794 N LYS A 54 -2.018 6.895 2.044 1.00 0.00 N ATOM 795 CA LYS A 54 -1.188 5.732 2.431 1.00 0.00 C ATOM 796 C LYS A 54 -0.243 5.336 1.299 1.00 0.00 C ATOM 797 O LYS A 54 -0.659 4.744 0.322 1.00 0.00 O ATOM 798 CB LYS A 54 -2.123 4.549 2.726 1.00 0.00 C ATOM 799 CG LYS A 54 -1.431 3.596 3.705 1.00 0.00 C ATOM 800 CD LYS A 54 -1.764 4.015 5.142 1.00 0.00 C ATOM 801 CE LYS A 54 -1.092 3.046 6.120 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.207 2.094 5.392 1.00 0.00 N ATOM 0 H LYS A 54 -2.980 6.680 1.781 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.594 5.995 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.061 4.908 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.370 4.025 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.760 2.572 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.352 3.616 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.419 5.033 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.843 4.012 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.509 3.606 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.852 2.494 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.265 1.468 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.777 1.523 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.509 2.626 4.857 1.00 0.00 H new ATOM 816 N SER A 55 1.012 5.669 1.450 1.00 0.00 N ATOM 817 CA SER A 55 1.989 5.316 0.390 1.00 0.00 C ATOM 818 C SER A 55 2.386 3.854 0.512 1.00 0.00 C ATOM 819 O SER A 55 3.285 3.391 -0.163 1.00 0.00 O ATOM 820 CB SER A 55 3.244 6.186 0.567 1.00 0.00 C ATOM 821 OG SER A 55 2.736 7.497 0.748 1.00 0.00 O ATOM 0 H SER A 55 1.396 6.165 2.254 1.00 0.00 H new ATOM 0 HA SER A 55 1.538 5.486 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.833 5.865 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.895 6.128 -0.305 1.00 0.00 H new ATOM 0 HG SER A 55 3.481 8.122 0.871 1.00 0.00 H new ATOM 827 N THR A 56 1.699 3.155 1.379 1.00 0.00 N ATOM 828 CA THR A 56 2.002 1.717 1.580 1.00 0.00 C ATOM 829 C THR A 56 0.713 0.909 1.687 1.00 0.00 C ATOM 830 O THR A 56 -0.336 1.450 1.976 1.00 0.00 O ATOM 831 CB THR A 56 2.778 1.565 2.890 1.00 0.00 C ATOM 832 OG1 THR A 56 2.199 2.498 3.777 1.00 0.00 O ATOM 833 CG2 THR A 56 4.228 2.039 2.729 1.00 0.00 C ATOM 0 H THR A 56 0.942 3.524 1.954 1.00 0.00 H new ATOM 0 HA THR A 56 2.583 1.352 0.733 1.00 0.00 H new ATOM 0 HB THR A 56 2.751 0.525 3.214 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.653 2.451 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.757 1.920 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.722 1.445 1.960 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.237 3.089 2.438 1.00 0.00 H new ATOM 841 N ALA A 57 0.809 -0.374 1.454 1.00 0.00 N ATOM 842 CA ALA A 57 -0.410 -1.217 1.542 1.00 0.00 C ATOM 843 C ALA A 57 -0.061 -2.701 1.518 1.00 0.00 C ATOM 844 O ALA A 57 0.863 -3.117 0.847 1.00 0.00 O ATOM 845 CB ALA A 57 -1.304 -0.905 0.331 1.00 0.00 C ATOM 0 H ALA A 57 1.669 -0.866 1.210 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.919 -0.997 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.206 -1.515 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.579 0.150 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.762 -1.128 -0.588 1.00 0.00 H new ATOM 851 N THR A 58 -0.814 -3.474 2.259 1.00 0.00 N ATOM 852 CA THR A 58 -0.552 -4.930 2.298 1.00 0.00 C ATOM 853 C THR A 58 -1.443 -5.653 1.302 1.00 0.00 C ATOM 854 O THR A 58 -2.564 -5.249 1.065 1.00 0.00 O ATOM 855 CB THR A 58 -0.875 -5.449 3.700 1.00 0.00 C ATOM 856 OG1 THR A 58 0.044 -4.809 4.560 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.544 -6.946 3.817 1.00 0.00 C ATOM 0 H THR A 58 -1.594 -3.154 2.834 1.00 0.00 H new ATOM 0 HA THR A 58 0.493 -5.111 2.046 1.00 0.00 H new ATOM 0 HB THR A 58 -1.927 -5.272 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.113 -5.101 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.782 -7.294 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.132 -7.507 3.091 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.517 -7.100 3.621 1.00 0.00 H new ATOM 865 N ILE A 59 -0.929 -6.707 0.732 1.00 0.00 N ATOM 866 CA ILE A 59 -1.726 -7.472 -0.250 1.00 0.00 C ATOM 867 C ILE A 59 -1.494 -8.969 -0.088 1.00 0.00 C ATOM 868 O ILE A 59 -0.406 -9.397 0.235 1.00 0.00 O ATOM 869 CB ILE A 59 -1.275 -7.050 -1.642 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.671 -8.115 -2.657 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.260 -6.912 -1.630 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.748 -7.487 -4.051 1.00 0.00 C ATOM 0 H ILE A 59 0.009 -7.067 0.908 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.786 -7.270 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.744 -6.105 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.943 -8.926 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.634 -8.549 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.606 -6.610 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.552 -6.159 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.709 -7.869 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.031 -8.248 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.492 -6.691 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.775 -7.074 -4.318 1.00 0.00 H new ATOM 884 N SER A 60 -2.524 -9.740 -0.317 1.00 0.00 N ATOM 885 CA SER A 60 -2.379 -11.213 -0.179 1.00 0.00 C ATOM 886 C SER A 60 -3.217 -11.947 -1.223 1.00 0.00 C ATOM 887 O SER A 60 -4.051 -11.356 -1.879 1.00 0.00 O ATOM 888 CB SER A 60 -2.878 -11.615 1.217 1.00 0.00 C ATOM 889 OG SER A 60 -1.948 -12.597 1.649 1.00 0.00 O ATOM 0 H SER A 60 -3.451 -9.414 -0.591 1.00 0.00 H new ATOM 0 HA SER A 60 -1.332 -11.481 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.899 -10.761 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.891 -12.015 1.178 1.00 0.00 H new ATOM 0 HG SER A 60 -2.011 -12.702 2.621 1.00 0.00 H new ATOM 895 N GLY A 61 -2.970 -13.227 -1.358 1.00 0.00 N ATOM 896 CA GLY A 61 -3.741 -14.031 -2.354 1.00 0.00 C ATOM 897 C GLY A 61 -2.896 -14.314 -3.597 1.00 0.00 C ATOM 898 O GLY A 61 -3.343 -14.108 -4.708 1.00 0.00 O ATOM 0 H GLY A 61 -2.272 -13.746 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.057 -14.971 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.646 -13.494 -2.639 1.00 0.00 H new ATOM 902 N LEU A 62 -1.691 -14.785 -3.377 1.00 0.00 N ATOM 903 CA LEU A 62 -0.791 -15.094 -4.526 1.00 0.00 C ATOM 904 C LEU A 62 -0.326 -16.546 -4.463 1.00 0.00 C ATOM 905 O LEU A 62 -0.977 -17.376 -3.858 1.00 0.00 O ATOM 906 CB LEU A 62 0.427 -14.168 -4.437 1.00 0.00 C ATOM 907 CG LEU A 62 1.088 -14.339 -3.074 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.534 -14.784 -3.275 1.00 0.00 C ATOM 909 CD2 LEU A 62 1.070 -13.003 -2.337 1.00 0.00 C ATOM 0 H LEU A 62 -1.296 -14.967 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.326 -14.943 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.136 -14.403 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.122 -13.131 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 62 0.549 -15.086 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.015 -14.909 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.552 -15.732 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.070 -14.030 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.542 -13.119 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.616 -12.260 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.039 -12.674 -2.205 1.00 0.00 H new ATOM 921 N LYS A 63 0.793 -16.831 -5.083 1.00 0.00 N ATOM 922 CA LYS A 63 1.302 -18.229 -5.061 1.00 0.00 C ATOM 923 C LYS A 63 2.848 -18.250 -4.996 1.00 0.00 C ATOM 924 O LYS A 63 3.492 -17.280 -5.346 1.00 0.00 O ATOM 925 CB LYS A 63 0.841 -18.905 -6.365 1.00 0.00 C ATOM 926 CG LYS A 63 -0.436 -19.708 -6.093 1.00 0.00 C ATOM 927 CD LYS A 63 -0.961 -20.278 -7.412 1.00 0.00 C ATOM 928 CE LYS A 63 -1.788 -21.531 -7.124 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.916 -21.211 -6.202 1.00 0.00 N ATOM 0 H LYS A 63 1.367 -16.162 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 63 0.919 -18.750 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.656 -18.153 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.624 -19.562 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.230 -20.515 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.190 -19.070 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.571 -19.535 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.130 -20.521 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.177 -21.939 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.154 -22.298 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.589 -22.004 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.546 -21.055 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.400 -20.351 -6.531 1.00 0.00 H new ATOM 943 N PRO A 64 3.424 -19.372 -4.543 1.00 0.00 N ATOM 944 CA PRO A 64 4.882 -19.495 -4.442 1.00 0.00 C ATOM 945 C PRO A 64 5.566 -19.342 -5.802 1.00 0.00 C ATOM 946 O PRO A 64 5.506 -20.228 -6.631 1.00 0.00 O ATOM 947 CB PRO A 64 5.124 -20.927 -3.913 1.00 0.00 C ATOM 948 CG PRO A 64 3.737 -21.629 -3.812 1.00 0.00 C ATOM 949 CD PRO A 64 2.668 -20.566 -4.109 1.00 0.00 C ATOM 0 HA PRO A 64 5.291 -18.717 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.784 -21.477 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.611 -20.899 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.669 -22.452 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.592 -22.054 -2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.982 -20.903 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.067 -20.353 -3.225 1.00 0.00 H new ATOM 957 N GLY A 65 6.202 -18.220 -6.004 1.00 0.00 N ATOM 958 CA GLY A 65 6.896 -17.994 -7.304 1.00 0.00 C ATOM 959 C GLY A 65 5.901 -17.986 -8.463 1.00 0.00 C ATOM 960 O GLY A 65 5.627 -19.010 -9.060 1.00 0.00 O ATOM 0 H GLY A 65 6.271 -17.456 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.432 -17.045 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.639 -18.775 -7.464 1.00 0.00 H new ATOM 964 N VAL A 66 5.379 -16.828 -8.757 1.00 0.00 N ATOM 965 CA VAL A 66 4.407 -16.726 -9.866 1.00 0.00 C ATOM 966 C VAL A 66 4.471 -15.352 -10.521 1.00 0.00 C ATOM 967 O VAL A 66 4.560 -14.343 -9.850 1.00 0.00 O ATOM 968 CB VAL A 66 2.996 -16.936 -9.297 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.765 -15.975 -8.123 1.00 0.00 C ATOM 970 CG2 VAL A 66 1.964 -16.654 -10.395 1.00 0.00 C ATOM 0 H VAL A 66 5.586 -15.953 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 66 4.645 -17.481 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 66 2.893 -17.963 -8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.763 -16.126 -7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.502 -16.169 -7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.866 -14.946 -8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.960 -16.801 -9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.071 -15.625 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.127 -17.335 -11.231 1.00 0.00 H new ATOM 980 N ASP A 67 4.438 -15.339 -11.823 1.00 0.00 N ATOM 981 CA ASP A 67 4.495 -14.044 -12.537 1.00 0.00 C ATOM 982 C ASP A 67 3.425 -13.108 -12.002 1.00 0.00 C ATOM 983 O ASP A 67 2.259 -13.445 -12.001 1.00 0.00 O ATOM 984 CB ASP A 67 4.226 -14.299 -14.029 1.00 0.00 C ATOM 985 CG ASP A 67 4.709 -13.097 -14.840 1.00 0.00 C ATOM 986 OD1 ASP A 67 4.497 -11.997 -14.356 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.264 -13.345 -15.898 1.00 0.00 O ATOM 0 H ASP A 67 4.374 -16.166 -12.417 1.00 0.00 H new ATOM 0 HA ASP A 67 5.475 -13.590 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.741 -15.203 -14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.161 -14.461 -14.196 1.00 0.00 H new ATOM 992 N TYR A 68 3.841 -11.948 -11.557 1.00 0.00 N ATOM 993 CA TYR A 68 2.858 -10.971 -11.012 1.00 0.00 C ATOM 994 C TYR A 68 3.013 -9.605 -11.662 1.00 0.00 C ATOM 995 O TYR A 68 4.092 -9.043 -11.686 1.00 0.00 O ATOM 996 CB TYR A 68 3.123 -10.829 -9.509 1.00 0.00 C ATOM 997 CG TYR A 68 1.903 -11.327 -8.726 1.00 0.00 C ATOM 998 CD1 TYR A 68 1.395 -12.588 -8.952 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.304 -10.527 -7.772 1.00 0.00 C ATOM 1000 CE1 TYR A 68 0.308 -13.046 -8.236 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.215 -10.986 -7.057 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.291 -12.249 -7.284 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.379 -12.709 -6.570 1.00 0.00 O ATOM 0 H TYR A 68 4.813 -11.640 -11.549 1.00 0.00 H new ATOM 0 HA TYR A 68 1.850 -11.332 -11.214 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.007 -11.402 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.327 -9.787 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.852 -13.223 -9.696 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.690 -9.536 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.077 -14.038 -8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.244 -10.351 -6.314 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.673 -12.018 -5.941 1.00 0.00 H new ATOM 1013 N THR A 69 1.920 -9.096 -12.177 1.00 0.00 N ATOM 1014 CA THR A 69 1.956 -7.766 -12.833 1.00 0.00 C ATOM 1015 C THR A 69 1.258 -6.735 -11.962 1.00 0.00 C ATOM 1016 O THR A 69 0.051 -6.774 -11.795 1.00 0.00 O ATOM 1017 CB THR A 69 1.215 -7.866 -14.170 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.757 -9.000 -14.814 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.579 -6.690 -15.088 1.00 0.00 C ATOM 0 H THR A 69 1.007 -9.550 -12.168 1.00 0.00 H new ATOM 0 HA THR A 69 2.992 -7.463 -12.986 1.00 0.00 H new ATOM 0 HB THR A 69 0.140 -7.893 -13.994 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.555 -8.739 -15.319 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.040 -6.784 -16.031 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.304 -5.753 -14.605 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.652 -6.698 -15.281 1.00 0.00 H new ATOM 1027 N ILE A 70 2.027 -5.832 -11.419 1.00 0.00 N ATOM 1028 CA ILE A 70 1.430 -4.785 -10.551 1.00 0.00 C ATOM 1029 C ILE A 70 1.176 -3.514 -11.356 1.00 0.00 C ATOM 1030 O ILE A 70 2.001 -3.108 -12.153 1.00 0.00 O ATOM 1031 CB ILE A 70 2.434 -4.499 -9.402 1.00 0.00 C ATOM 1032 CG1 ILE A 70 2.188 -3.127 -8.737 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.846 -4.500 -9.996 1.00 0.00 C ATOM 1034 CD1 ILE A 70 0.760 -3.060 -8.180 1.00 0.00 C ATOM 0 H ILE A 70 3.038 -5.776 -11.539 1.00 0.00 H new ATOM 0 HA ILE A 70 0.475 -5.123 -10.148 1.00 0.00 H new ATOM 0 HB ILE A 70 2.307 -5.268 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.908 -2.969 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.341 -2.329 -9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.572 -4.301 -9.208 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.052 -5.473 -10.442 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.920 -3.727 -10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.597 -2.089 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.046 -3.197 -8.992 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.621 -3.847 -7.438 1.00 0.00 H new ATOM 1046 N THR A 71 0.035 -2.916 -11.136 1.00 0.00 N ATOM 1047 CA THR A 71 -0.296 -1.671 -11.874 1.00 0.00 C ATOM 1048 C THR A 71 -0.948 -0.645 -10.961 1.00 0.00 C ATOM 1049 O THR A 71 -1.767 -0.987 -10.131 1.00 0.00 O ATOM 1050 CB THR A 71 -1.288 -2.020 -12.990 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.559 -2.798 -13.917 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.690 -0.759 -13.769 1.00 0.00 C ATOM 0 H THR A 71 -0.677 -3.237 -10.479 1.00 0.00 H new ATOM 0 HA THR A 71 0.626 -1.248 -12.274 1.00 0.00 H new ATOM 0 HB THR A 71 -2.167 -2.506 -12.565 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.144 -3.056 -14.660 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.394 -1.027 -14.557 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.158 -0.046 -13.090 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.803 -0.308 -14.214 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.561 0.605 -11.130 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.149 1.682 -10.279 1.00 0.00 C ATOM 1062 C VAL A 72 -1.733 2.772 -11.151 1.00 0.00 C ATOM 1063 O VAL A 72 -1.152 3.150 -12.160 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.049 2.305 -9.385 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.258 2.368 -10.158 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -0.462 3.726 -8.987 1.00 0.00 C ATOM 0 H VAL A 72 0.129 0.916 -11.814 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.932 1.244 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 72 0.081 1.693 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.032 2.807 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.556 1.361 -10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.124 2.981 -11.049 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.311 4.167 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.589 4.333 -9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.402 3.691 -8.436 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.876 3.255 -10.747 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.547 4.324 -11.515 1.00 0.00 C ATOM 1078 C TYR A 73 -3.687 5.567 -10.652 1.00 0.00 C ATOM 1079 O TYR A 73 -4.396 5.565 -9.663 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.942 3.825 -11.915 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.934 3.413 -13.386 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.271 2.269 -13.790 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.604 4.164 -14.327 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.283 1.886 -15.115 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.615 3.780 -15.653 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.955 2.639 -16.056 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.967 2.255 -17.381 1.00 0.00 O ATOM 0 H TYR A 73 -3.372 2.948 -9.910 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.961 4.571 -12.400 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.230 2.979 -11.291 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.681 4.609 -11.750 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.740 1.671 -13.064 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.125 5.061 -14.025 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.762 0.990 -15.418 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.145 4.378 -16.380 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.488 2.900 -17.904 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.999 6.605 -11.038 1.00 0.00 N ATOM 1098 CA ALA A 74 -3.072 7.860 -10.258 1.00 0.00 C ATOM 1099 C ALA A 74 -4.177 8.762 -10.782 1.00 0.00 C ATOM 1100 O ALA A 74 -4.214 9.078 -11.957 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.728 8.593 -10.398 1.00 0.00 C ATOM 0 H ALA A 74 -2.393 6.634 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.284 7.620 -9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.760 9.523 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.927 7.961 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.543 8.816 -11.449 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.061 9.158 -9.898 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.181 10.042 -10.313 1.00 0.00 C ATOM 1109 C VAL A 75 -6.181 11.327 -9.496 1.00 0.00 C ATOM 1110 O VAL A 75 -6.621 11.346 -8.365 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.500 9.292 -10.065 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.571 9.822 -11.023 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.286 7.800 -10.328 1.00 0.00 C ATOM 0 H VAL A 75 -5.051 8.905 -8.910 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.069 10.299 -11.366 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.821 9.444 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.508 9.292 -10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.719 10.888 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.249 9.663 -12.052 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.218 7.262 -10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.971 7.654 -11.361 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.516 7.419 -9.657 1.00 0.00 H new ATOM 1123 N THR A 76 -5.676 12.378 -10.085 1.00 0.00 N ATOM 1124 CA THR A 76 -5.635 13.674 -9.364 1.00 0.00 C ATOM 1125 C THR A 76 -6.838 14.521 -9.737 1.00 0.00 C ATOM 1126 O THR A 76 -7.432 15.178 -8.904 1.00 0.00 O ATOM 1127 CB THR A 76 -4.354 14.408 -9.775 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.179 14.115 -11.146 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.131 13.786 -9.088 1.00 0.00 C ATOM 0 H THR A 76 -5.293 12.391 -11.030 1.00 0.00 H new ATOM 0 HA THR A 76 -5.652 13.498 -8.288 1.00 0.00 H new ATOM 0 HB THR A 76 -4.436 15.466 -9.528 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.370 14.560 -11.475 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.231 14.321 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.246 13.856 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.045 12.738 -9.376 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.111 6.515 -16.066 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.992 5.275 -15.303 1.00 0.00 C ATOM 1268 C PRO A 87 0.200 4.461 -15.783 1.00 0.00 C ATOM 1269 O PRO A 87 0.694 4.677 -16.872 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.309 4.520 -15.576 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.271 5.524 -16.279 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.426 6.730 -16.705 1.00 0.00 C ATOM 0 HA PRO A 87 -0.833 5.459 -14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.131 3.650 -16.208 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.745 4.155 -14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.747 5.061 -17.144 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.069 5.831 -15.603 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.334 6.785 -17.790 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.878 7.666 -16.375 1.00 0.00 H new ATOM 1280 N ILE A 88 0.648 3.539 -14.973 1.00 0.00 N ATOM 1281 CA ILE A 88 1.811 2.723 -15.403 1.00 0.00 C ATOM 1282 C ILE A 88 1.795 1.346 -14.752 1.00 0.00 C ATOM 1283 O ILE A 88 1.115 1.130 -13.769 1.00 0.00 O ATOM 1284 CB ILE A 88 3.089 3.472 -14.989 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.237 3.090 -15.912 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.466 3.077 -13.547 1.00 0.00 C ATOM 1287 CD1 ILE A 88 4.331 4.116 -17.043 1.00 0.00 C ATOM 0 H ILE A 88 0.266 3.321 -14.052 1.00 0.00 H new ATOM 0 HA ILE A 88 1.771 2.578 -16.483 1.00 0.00 H new ATOM 0 HB ILE A 88 2.908 4.545 -15.053 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.173 3.058 -15.355 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.075 2.093 -16.321 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.372 3.606 -13.250 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.652 3.343 -12.872 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.641 2.002 -13.498 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.152 3.849 -17.709 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.397 4.126 -17.604 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.512 5.105 -16.623 1.00 0.00 H new ATOM 1299 N SER A 89 2.543 0.437 -15.316 1.00 0.00 N ATOM 1300 CA SER A 89 2.581 -0.923 -14.743 1.00 0.00 C ATOM 1301 C SER A 89 3.946 -1.563 -14.943 1.00 0.00 C ATOM 1302 O SER A 89 4.691 -1.185 -15.825 1.00 0.00 O ATOM 1303 CB SER A 89 1.527 -1.778 -15.454 1.00 0.00 C ATOM 1304 OG SER A 89 1.968 -1.819 -16.804 1.00 0.00 O ATOM 0 H SER A 89 3.123 0.583 -16.142 1.00 0.00 H new ATOM 0 HA SER A 89 2.381 -0.860 -13.673 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.468 -2.778 -15.023 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.534 -1.336 -15.372 1.00 0.00 H new ATOM 0 HG SER A 89 1.343 -2.355 -17.336 1.00 0.00 H new ATOM 1310 N ILE A 90 4.244 -2.529 -14.120 1.00 0.00 N ATOM 1311 CA ILE A 90 5.552 -3.214 -14.235 1.00 0.00 C ATOM 1312 C ILE A 90 5.413 -4.697 -13.913 1.00 0.00 C ATOM 1313 O ILE A 90 4.651 -5.079 -13.049 1.00 0.00 O ATOM 1314 CB ILE A 90 6.514 -2.567 -13.238 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.952 -2.681 -11.825 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.644 -1.077 -13.589 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.756 -1.784 -10.883 1.00 0.00 C ATOM 0 H ILE A 90 3.637 -2.870 -13.375 1.00 0.00 H new ATOM 0 HA ILE A 90 5.926 -3.119 -15.254 1.00 0.00 H new ATOM 0 HB ILE A 90 7.481 -3.067 -13.287 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.902 -2.389 -11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.998 -3.716 -11.486 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.327 -0.596 -12.888 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.032 -0.974 -14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.665 -0.601 -13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.355 -1.865 -9.873 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.800 -2.097 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.687 -0.749 -11.219 1.00 0.00 H new ATOM 1329 N ASN A 91 6.154 -5.506 -14.618 1.00 0.00 N ATOM 1330 CA ASN A 91 6.080 -6.966 -14.369 1.00 0.00 C ATOM 1331 C ASN A 91 7.155 -7.411 -13.380 1.00 0.00 C ATOM 1332 O ASN A 91 8.220 -6.831 -13.313 1.00 0.00 O ATOM 1333 CB ASN A 91 6.307 -7.686 -15.708 1.00 0.00 C ATOM 1334 CG ASN A 91 5.177 -8.691 -15.947 1.00 0.00 C ATOM 1335 OD1 ASN A 91 4.072 -8.328 -16.294 1.00 0.00 O ATOM 1336 ND2 ASN A 91 5.414 -9.961 -15.780 1.00 0.00 N ATOM 0 H ASN A 91 6.803 -5.218 -15.351 1.00 0.00 H new ATOM 0 HA ASN A 91 5.105 -7.209 -13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.341 -6.961 -16.521 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.268 -8.200 -15.698 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.673 -10.643 -15.941 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.340 -10.273 -15.489 1.00 0.00 H new ATOM 1343 N TYR A 92 6.853 -8.438 -12.634 1.00 0.00 N ATOM 1344 CA TYR A 92 7.838 -8.943 -11.645 1.00 0.00 C ATOM 1345 C TYR A 92 7.357 -10.249 -11.027 1.00 0.00 C ATOM 1346 O TYR A 92 6.217 -10.362 -10.623 1.00 0.00 O ATOM 1347 CB TYR A 92 7.992 -7.898 -10.525 1.00 0.00 C ATOM 1348 CG TYR A 92 9.077 -8.361 -9.544 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.411 -8.299 -9.892 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.733 -8.850 -8.298 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.386 -8.720 -9.010 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.711 -9.271 -7.417 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.043 -9.209 -7.766 1.00 0.00 C ATOM 1354 OH TYR A 92 12.019 -9.635 -6.888 1.00 0.00 O ATOM 0 H TYR A 92 5.969 -8.946 -12.668 1.00 0.00 H new ATOM 0 HA TYR A 92 8.788 -9.117 -12.150 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.259 -6.930 -10.949 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.045 -7.767 -10.002 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.694 -7.918 -10.862 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.693 -8.903 -8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.426 -8.666 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.429 -9.652 -6.447 1.00 0.00 H new ATOM 0 HH TYR A 92 11.600 -9.947 -6.059 1.00 0.00 H new ATOM 1364 N ARG A 93 8.233 -11.214 -10.967 1.00 0.00 N ATOM 1365 CA ARG A 93 7.839 -12.518 -10.377 1.00 0.00 C ATOM 1366 C ARG A 93 7.942 -12.466 -8.862 1.00 0.00 C ATOM 1367 O ARG A 93 8.993 -12.179 -8.323 1.00 0.00 O ATOM 1368 CB ARG A 93 8.792 -13.608 -10.897 1.00 0.00 C ATOM 1369 CG ARG A 93 9.970 -12.950 -11.623 1.00 0.00 C ATOM 1370 CD ARG A 93 10.975 -14.025 -12.038 1.00 0.00 C ATOM 1371 NE ARG A 93 12.301 -13.382 -12.255 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.331 -13.797 -11.572 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.767 -15.011 -11.767 1.00 0.00 N ATOM 1374 NH2 ARG A 93 13.887 -12.986 -10.714 1.00 0.00 N ATOM 0 H ARG A 93 9.196 -11.155 -11.299 1.00 0.00 H new ATOM 0 HA ARG A 93 6.810 -12.739 -10.660 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.155 -14.215 -10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.262 -14.278 -11.574 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.615 -12.410 -12.501 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.450 -12.219 -10.972 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.049 -14.791 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.642 -14.521 -12.950 1.00 0.00 H new ATOM 0 HE ARG A 93 12.402 -12.625 -12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.303 -15.617 -12.444 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.572 -15.354 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.515 -12.045 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.694 -13.293 -10.171 1.00 0.00 H new ATOM 1388 N THR A 94 6.842 -12.745 -8.201 1.00 0.00 N ATOM 1389 CA THR A 94 6.845 -12.719 -6.708 1.00 0.00 C ATOM 1390 C THR A 94 6.452 -14.077 -6.140 1.00 0.00 C ATOM 1391 O THR A 94 6.303 -14.978 -6.947 1.00 0.00 O ATOM 1392 CB THR A 94 5.824 -11.677 -6.242 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.446 -10.979 -7.412 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.493 -10.612 -5.355 1.00 0.00 C ATOM 1395 OXT THR A 94 6.321 -14.139 -4.927 1.00 0.00 O ATOM 0 H THR A 94 5.949 -12.988 -8.630 1.00 0.00 H new ATOM 0 HA THR A 94 7.848 -12.472 -6.359 1.00 0.00 H new ATOM 0 HB THR A 94 5.014 -12.168 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.786 -10.291 -7.184 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.748 -9.883 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.930 -11.091 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.276 -10.107 -5.921 1.00 0.00 H new