USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 36 SER OG : rot -131:sc= 1.02 USER MOD Set 1.2: A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00117) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -67:sc= 0.969 USER MOD Single : A 95 THR OG1 : rot -42:sc= 0.109 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -30:sc= -0.013 USER MOD Single : A 114 GLN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 117 CYS SG : rot 34:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -7.565 3.907 11.834 1.00 0.00 N ATOM 120 CA VAL A 13 -8.925 3.704 11.350 1.00 0.00 C ATOM 121 C VAL A 13 -9.370 2.260 11.553 1.00 0.00 C ATOM 122 O VAL A 13 -10.517 1.997 11.916 1.00 0.00 O ATOM 123 CB VAL A 13 -9.050 4.063 9.857 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.458 3.781 9.355 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.673 5.518 9.626 1.00 0.00 C ATOM 0 HA VAL A 13 -9.569 4.365 11.930 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.358 3.439 9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.527 4.041 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.685 2.723 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.173 4.377 9.922 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.767 5.754 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.338 6.162 10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.644 5.682 9.944 1.00 0.00 H new ATOM 135 N LYS A 14 -8.455 1.326 11.316 1.00 0.00 N ATOM 136 CA LYS A 14 -8.751 -0.093 11.474 1.00 0.00 C ATOM 137 C LYS A 14 -7.477 -0.889 11.738 1.00 0.00 C ATOM 138 O LYS A 14 -6.458 -0.682 11.079 1.00 0.00 O ATOM 139 CB LYS A 14 -9.452 -0.632 10.224 1.00 0.00 C ATOM 140 CG LYS A 14 -10.195 -1.936 10.458 1.00 0.00 C ATOM 141 CD LYS A 14 -10.650 -2.560 9.149 1.00 0.00 C ATOM 142 CE LYS A 14 -11.166 -3.976 9.357 1.00 0.00 C ATOM 143 NZ LYS A 14 -12.622 -3.995 9.667 1.00 0.00 N ATOM 0 H LYS A 14 -7.502 1.526 11.014 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.414 -0.206 12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.155 0.117 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.711 -0.781 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.548 -2.634 10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.060 -1.754 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.435 -1.947 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.820 -2.574 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.978 -4.567 8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.615 -4.448 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.939 -4.978 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.797 -3.467 10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.149 -3.553 8.887 1.00 0.00 H new ATOM 157 N GLN A 15 -7.542 -1.799 12.704 1.00 0.00 N ATOM 158 CA GLN A 15 -6.393 -2.626 13.053 1.00 0.00 C ATOM 159 C GLN A 15 -6.712 -4.106 12.874 1.00 0.00 C ATOM 160 O GLN A 15 -7.723 -4.599 13.374 1.00 0.00 O ATOM 161 CB GLN A 15 -5.963 -2.356 14.496 1.00 0.00 C ATOM 162 CG GLN A 15 -5.492 -0.930 14.733 1.00 0.00 C ATOM 163 CD GLN A 15 -5.684 -0.484 16.169 1.00 0.00 C ATOM 164 OE1 GLN A 15 -4.887 -0.816 17.047 1.00 0.00 O ATOM 165 NE2 GLN A 15 -6.747 0.274 16.417 1.00 0.00 N ATOM 0 H GLN A 15 -8.378 -1.982 13.259 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.574 -2.366 12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.799 -2.569 15.162 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.161 -3.044 14.762 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.437 -0.851 14.470 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.037 -0.257 14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.382 0.526 15.659 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.928 0.604 17.365 1.00 0.00 H new ATOM 174 N GLY A 16 -5.843 -4.812 12.156 1.00 0.00 N ATOM 175 CA GLY A 16 -6.051 -6.229 11.923 1.00 0.00 C ATOM 176 C GLY A 16 -4.775 -6.945 11.527 1.00 0.00 C ATOM 177 O GLY A 16 -3.818 -6.317 11.073 1.00 0.00 O ATOM 0 H GLY A 16 -4.999 -4.427 11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.456 -6.687 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.796 -6.359 11.138 1.00 0.00 H new ATOM 181 N PHE A 17 -4.760 -8.262 11.700 1.00 0.00 N ATOM 182 CA PHE A 17 -3.590 -9.064 11.360 1.00 0.00 C ATOM 183 C PHE A 17 -3.634 -9.497 9.897 1.00 0.00 C ATOM 184 O PHE A 17 -4.556 -10.196 9.472 1.00 0.00 O ATOM 185 CB PHE A 17 -3.508 -10.295 12.266 1.00 0.00 C ATOM 186 CG PHE A 17 -3.725 -9.985 13.719 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.984 -8.998 14.349 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.671 -10.680 14.456 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.182 -8.710 15.686 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.873 -10.396 15.793 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.127 -9.411 16.410 1.00 0.00 C ATOM 0 H PHE A 17 -5.544 -8.797 12.073 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.703 -8.450 11.512 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.251 -11.024 11.943 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.530 -10.761 12.144 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.243 -8.447 13.789 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.257 -11.452 13.980 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.598 -7.937 16.165 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.614 -10.944 16.356 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.282 -9.189 17.456 1.00 0.00 H new ATOM 201 N LEU A 18 -2.633 -9.078 9.132 1.00 0.00 N ATOM 202 CA LEU A 18 -2.556 -9.422 7.716 1.00 0.00 C ATOM 203 C LEU A 18 -1.447 -10.437 7.462 1.00 0.00 C ATOM 204 O LEU A 18 -0.417 -10.429 8.136 1.00 0.00 O ATOM 205 CB LEU A 18 -2.314 -8.165 6.879 1.00 0.00 C ATOM 206 CG LEU A 18 -3.527 -7.260 6.660 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.111 -5.962 5.985 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.585 -7.977 5.835 1.00 0.00 C ATOM 0 H LEU A 18 -1.863 -8.499 9.468 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.506 -9.869 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.530 -7.579 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.933 -8.470 5.904 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.955 -7.018 7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.988 -5.331 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.390 -5.440 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.657 -6.183 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.441 -7.318 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.168 -8.250 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.906 -8.878 6.358 1.00 0.00 H new ATOM 220 N TYR A 19 -1.664 -11.309 6.484 1.00 0.00 N ATOM 221 CA TYR A 19 -0.683 -12.332 6.140 1.00 0.00 C ATOM 222 C TYR A 19 -0.024 -12.026 4.798 1.00 0.00 C ATOM 223 O TYR A 19 -0.686 -11.596 3.852 1.00 0.00 O ATOM 224 CB TYR A 19 -1.346 -13.709 6.093 1.00 0.00 C ATOM 225 CG TYR A 19 -2.280 -13.972 7.252 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.800 -14.045 8.554 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.643 -14.146 7.046 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.649 -14.285 9.616 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.500 -14.385 8.103 1.00 0.00 C ATOM 230 CZ TYR A 19 -3.998 -14.454 9.386 1.00 0.00 C ATOM 231 OH TYR A 19 -4.848 -14.693 10.441 1.00 0.00 O ATOM 0 H TYR A 19 -2.510 -11.328 5.915 1.00 0.00 H new ATOM 0 HA TYR A 19 0.088 -12.334 6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.902 -13.803 5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.571 -14.476 6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.744 -13.912 8.738 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.039 -14.094 6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.259 -14.340 10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.557 -14.517 7.926 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.765 -14.787 10.108 1.00 0.00 H new ATOM 241 N LEU A 20 1.283 -12.251 4.723 1.00 0.00 N ATOM 242 CA LEU A 20 2.033 -12.000 3.497 1.00 0.00 C ATOM 243 C LEU A 20 2.741 -13.266 3.024 1.00 0.00 C ATOM 244 O LEU A 20 3.607 -13.800 3.717 1.00 0.00 O ATOM 245 CB LEU A 20 3.055 -10.884 3.720 1.00 0.00 C ATOM 246 CG LEU A 20 3.879 -10.474 2.499 1.00 0.00 C ATOM 247 CD1 LEU A 20 2.968 -10.025 1.367 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.862 -9.372 2.864 1.00 0.00 C ATOM 0 H LEU A 20 1.845 -12.607 5.496 1.00 0.00 H new ATOM 0 HA LEU A 20 1.328 -11.690 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.528 -10.004 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.741 -11.199 4.507 1.00 0.00 H new ATOM 0 HG LEU A 20 4.446 -11.341 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.572 -9.737 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.305 -10.844 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.374 -9.172 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.440 -9.093 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.315 -8.503 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.537 -9.729 3.642 1.00 0.00 H new ATOM 260 N GLN A 21 2.368 -13.739 1.839 1.00 0.00 N ATOM 261 CA GLN A 21 2.969 -14.941 1.273 1.00 0.00 C ATOM 262 C GLN A 21 4.246 -14.603 0.510 1.00 0.00 C ATOM 263 O GLN A 21 4.265 -13.688 -0.313 1.00 0.00 O ATOM 264 CB GLN A 21 1.977 -15.644 0.345 1.00 0.00 C ATOM 265 CG GLN A 21 2.519 -16.927 -0.265 1.00 0.00 C ATOM 266 CD GLN A 21 1.641 -17.458 -1.381 1.00 0.00 C ATOM 267 OE1 GLN A 21 1.938 -17.272 -2.562 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.554 -18.125 -1.013 1.00 0.00 N ATOM 0 H GLN A 21 1.653 -13.308 1.253 1.00 0.00 H new ATOM 0 HA GLN A 21 3.224 -15.611 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.069 -15.872 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.695 -14.961 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.522 -16.746 -0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.610 -17.685 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.347 -18.256 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.074 -18.507 -1.720 1.00 0.00 H new ATOM 413 N TRP A 30 2.802 -18.638 4.722 1.00 0.00 N ATOM 414 CA TRP A 30 2.108 -17.421 5.129 1.00 0.00 C ATOM 415 C TRP A 30 2.739 -16.827 6.383 1.00 0.00 C ATOM 416 O TRP A 30 2.935 -17.523 7.380 1.00 0.00 O ATOM 417 CB TRP A 30 0.627 -17.714 5.378 1.00 0.00 C ATOM 418 CG TRP A 30 -0.177 -17.822 4.118 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.786 -18.941 3.627 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.459 -16.769 3.189 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.428 -18.649 2.448 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.244 -17.323 2.158 1.00 0.00 C ATOM 423 CE3 TRP A 30 -0.126 -15.413 3.128 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.698 -16.566 1.081 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.578 -14.664 2.058 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.358 -15.242 1.047 1.00 0.00 C ATOM 0 HA TRP A 30 2.197 -16.694 4.322 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.537 -18.644 5.939 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.208 -16.924 6.002 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.766 -19.913 4.097 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.956 -19.312 1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.474 -14.959 3.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.298 -17.009 0.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.326 -13.615 2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.697 -14.629 0.225 1.00 0.00 H new ATOM 437 N ARG A 31 3.056 -15.538 6.326 1.00 0.00 N ATOM 438 CA ARG A 31 3.666 -14.851 7.458 1.00 0.00 C ATOM 439 C ARG A 31 2.765 -13.728 7.964 1.00 0.00 C ATOM 440 O ARG A 31 2.336 -12.869 7.194 1.00 0.00 O ATOM 441 CB ARG A 31 5.031 -14.284 7.063 1.00 0.00 C ATOM 442 CG ARG A 31 6.131 -15.331 7.002 1.00 0.00 C ATOM 443 CD ARG A 31 6.721 -15.600 8.377 1.00 0.00 C ATOM 444 NE ARG A 31 7.392 -16.896 8.442 1.00 0.00 N ATOM 445 CZ ARG A 31 8.312 -17.202 9.349 1.00 0.00 C ATOM 446 NH1 ARG A 31 8.669 -16.311 10.263 1.00 0.00 N ATOM 447 NH2 ARG A 31 8.877 -18.403 9.343 1.00 0.00 N ATOM 0 H ARG A 31 2.901 -14.948 5.508 1.00 0.00 H new ATOM 0 HA ARG A 31 3.799 -15.576 8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.946 -13.801 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.315 -13.512 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.731 -16.257 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.918 -14.995 6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.431 -14.812 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.929 -15.564 9.125 1.00 0.00 H new ATOM 0 HE ARG A 31 7.140 -17.605 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.237 -15.387 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.376 -16.549 10.959 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.604 -19.091 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.584 -18.638 10.040 1.00 0.00 H new ATOM 461 N ARG A 32 2.481 -13.744 9.262 1.00 0.00 N ATOM 462 CA ARG A 32 1.629 -12.729 9.870 1.00 0.00 C ATOM 463 C ARG A 32 2.450 -11.516 10.300 1.00 0.00 C ATOM 464 O ARG A 32 3.610 -11.646 10.693 1.00 0.00 O ATOM 465 CB ARG A 32 0.888 -13.310 11.076 1.00 0.00 C ATOM 466 CG ARG A 32 0.008 -12.300 11.794 1.00 0.00 C ATOM 467 CD ARG A 32 -0.191 -12.674 13.254 1.00 0.00 C ATOM 468 NE ARG A 32 -0.513 -11.512 14.078 1.00 0.00 N ATOM 469 CZ ARG A 32 -0.705 -11.573 15.391 1.00 0.00 C ATOM 470 NH1 ARG A 32 -0.608 -12.733 16.026 1.00 0.00 N ATOM 471 NH2 ARG A 32 -0.994 -10.471 16.072 1.00 0.00 N ATOM 0 H ARG A 32 2.828 -14.448 9.913 1.00 0.00 H new ATOM 0 HA ARG A 32 0.901 -12.408 9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.272 -14.146 10.745 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.616 -13.711 11.781 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.460 -11.310 11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.960 -12.241 11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.993 -13.408 13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.714 -13.148 13.633 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.595 -10.604 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.385 -13.582 15.506 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.756 -12.776 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.069 -9.577 15.587 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.141 -10.518 17.080 1.00 0.00 H new ATOM 485 N PHE A 33 1.840 -10.338 10.223 1.00 0.00 N ATOM 486 CA PHE A 33 2.515 -9.102 10.602 1.00 0.00 C ATOM 487 C PHE A 33 1.503 -8.025 10.983 1.00 0.00 C ATOM 488 O PHE A 33 0.802 -7.487 10.127 1.00 0.00 O ATOM 489 CB PHE A 33 3.399 -8.606 9.456 1.00 0.00 C ATOM 490 CG PHE A 33 4.452 -9.592 9.041 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.533 -9.860 9.866 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.362 -10.251 7.825 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.504 -10.768 9.487 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.330 -11.160 7.441 1.00 0.00 C ATOM 495 CZ PHE A 33 6.403 -11.418 8.272 1.00 0.00 C ATOM 0 H PHE A 33 0.880 -10.213 9.902 1.00 0.00 H new ATOM 0 HA PHE A 33 3.141 -9.310 11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.770 -8.375 8.596 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.882 -7.676 9.757 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.618 -9.354 10.816 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.526 -10.052 7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.341 -10.969 10.140 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.247 -11.668 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.161 -12.126 7.973 1.00 0.00 H new ATOM 505 N GLY A 34 1.433 -7.716 12.274 1.00 0.00 N ATOM 506 CA GLY A 34 0.505 -6.706 12.746 1.00 0.00 C ATOM 507 C GLY A 34 0.447 -5.499 11.831 1.00 0.00 C ATOM 508 O GLY A 34 1.368 -4.683 11.811 1.00 0.00 O ATOM 0 H GLY A 34 2.003 -8.148 13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.490 -7.142 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.798 -6.386 13.746 1.00 0.00 H new ATOM 512 N ALA A 35 -0.637 -5.386 11.071 1.00 0.00 N ATOM 513 CA ALA A 35 -0.812 -4.269 10.151 1.00 0.00 C ATOM 514 C ALA A 35 -1.743 -3.214 10.737 1.00 0.00 C ATOM 515 O ALA A 35 -2.788 -3.539 11.300 1.00 0.00 O ATOM 516 CB ALA A 35 -1.347 -4.765 8.816 1.00 0.00 C ATOM 0 H ALA A 35 -1.407 -6.054 11.074 1.00 0.00 H new ATOM 0 HA ALA A 35 0.162 -3.806 9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.473 -3.921 8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.643 -5.476 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.309 -5.254 8.969 1.00 0.00 H new ATOM 522 N SER A 36 -1.356 -1.949 10.602 1.00 0.00 N ATOM 523 CA SER A 36 -2.155 -0.846 11.123 1.00 0.00 C ATOM 524 C SER A 36 -2.557 0.110 10.004 1.00 0.00 C ATOM 525 O SER A 36 -1.747 0.449 9.140 1.00 0.00 O ATOM 526 CB SER A 36 -1.376 -0.089 12.200 1.00 0.00 C ATOM 527 OG SER A 36 -2.252 0.608 13.069 1.00 0.00 O ATOM 0 H SER A 36 -0.495 -1.663 10.137 1.00 0.00 H new ATOM 0 HA SER A 36 -3.061 -1.263 11.564 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.770 -0.789 12.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.690 0.615 11.729 1.00 0.00 H new ATOM 0 HG SER A 36 -1.943 1.532 13.173 1.00 0.00 H new ATOM 533 N LEU A 37 -3.813 0.540 10.025 1.00 0.00 N ATOM 534 CA LEU A 37 -4.325 1.457 9.013 1.00 0.00 C ATOM 535 C LEU A 37 -4.441 2.873 9.569 1.00 0.00 C ATOM 536 O LEU A 37 -5.283 3.148 10.425 1.00 0.00 O ATOM 537 CB LEU A 37 -5.689 0.982 8.509 1.00 0.00 C ATOM 538 CG LEU A 37 -6.230 1.692 7.267 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.335 1.424 6.067 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.657 1.249 6.979 1.00 0.00 C ATOM 0 H LEU A 37 -4.496 0.268 10.732 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.621 1.470 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.623 -0.084 8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.413 1.100 9.315 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.235 2.765 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.735 1.937 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.330 1.791 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.298 0.352 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.026 1.764 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.676 0.173 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.292 1.492 7.831 1.00 0.00 H new ATOM 552 N TYR A 38 -3.592 3.768 9.076 1.00 0.00 N ATOM 553 CA TYR A 38 -3.599 5.155 9.524 1.00 0.00 C ATOM 554 C TYR A 38 -4.157 6.074 8.442 1.00 0.00 C ATOM 555 O TYR A 38 -4.110 5.755 7.255 1.00 0.00 O ATOM 556 CB TYR A 38 -2.184 5.597 9.904 1.00 0.00 C ATOM 557 CG TYR A 38 -1.527 4.705 10.932 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.930 4.730 12.262 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.502 3.838 10.575 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.332 3.916 13.205 1.00 0.00 C ATOM 561 CE2 TYR A 38 0.101 3.020 11.511 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.317 3.063 12.824 1.00 0.00 C ATOM 563 OH TYR A 38 0.282 2.251 13.760 1.00 0.00 O ATOM 0 H TYR A 38 -2.890 3.557 8.366 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.242 5.224 10.401 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.566 5.619 9.006 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.222 6.616 10.290 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.724 5.397 12.564 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.171 3.803 9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.657 3.947 14.234 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.895 2.351 11.216 1.00 0.00 H new ATOM 0 HH TYR A 38 0.797 1.552 13.305 1.00 0.00 H new ATOM 573 N GLY A 39 -4.686 7.220 8.862 1.00 0.00 N ATOM 574 CA GLY A 39 -5.245 8.169 7.918 1.00 0.00 C ATOM 575 C GLY A 39 -6.712 8.450 8.179 1.00 0.00 C ATOM 576 O GLY A 39 -7.141 8.529 9.329 1.00 0.00 O ATOM 0 H GLY A 39 -4.737 7.507 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.684 9.102 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.127 7.783 6.906 1.00 0.00 H new ATOM 650 N ALA A 46 -1.992 8.565 4.949 1.00 0.00 N ATOM 651 CA ALA A 46 -2.395 7.166 5.016 1.00 0.00 C ATOM 652 C ALA A 46 -1.243 6.244 4.629 1.00 0.00 C ATOM 653 O ALA A 46 -0.671 6.371 3.547 1.00 0.00 O ATOM 654 CB ALA A 46 -3.597 6.918 4.117 1.00 0.00 C ATOM 0 HA ALA A 46 -2.674 6.943 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.886 5.869 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.429 7.543 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.338 7.164 3.087 1.00 0.00 H new ATOM 660 N ARG A 47 -0.909 5.316 5.520 1.00 0.00 N ATOM 661 CA ARG A 47 0.176 4.374 5.272 1.00 0.00 C ATOM 662 C ARG A 47 -0.039 3.080 6.050 1.00 0.00 C ATOM 663 O ARG A 47 -0.522 3.096 7.183 1.00 0.00 O ATOM 664 CB ARG A 47 1.519 4.997 5.658 1.00 0.00 C ATOM 665 CG ARG A 47 1.550 5.546 7.075 1.00 0.00 C ATOM 666 CD ARG A 47 2.974 5.818 7.536 1.00 0.00 C ATOM 667 NE ARG A 47 3.610 6.873 6.752 1.00 0.00 N ATOM 668 CZ ARG A 47 4.916 7.116 6.770 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.720 6.383 7.528 1.00 0.00 N ATOM 670 NH2 ARG A 47 5.421 8.094 6.029 1.00 0.00 N ATOM 0 H ARG A 47 -1.374 5.196 6.420 1.00 0.00 H new ATOM 0 HA ARG A 47 0.184 4.140 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.302 4.247 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.751 5.802 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.969 6.467 7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.077 4.835 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.966 6.103 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.562 4.903 7.457 1.00 0.00 H new ATOM 0 HE ARG A 47 3.019 7.455 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.336 5.630 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.722 6.572 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.806 8.660 5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.424 8.279 6.044 1.00 0.00 H new ATOM 684 N LEU A 48 0.321 1.959 5.434 1.00 0.00 N ATOM 685 CA LEU A 48 0.166 0.654 6.068 1.00 0.00 C ATOM 686 C LEU A 48 1.496 0.161 6.630 1.00 0.00 C ATOM 687 O LEU A 48 2.435 -0.108 5.881 1.00 0.00 O ATOM 688 CB LEU A 48 -0.384 -0.361 5.065 1.00 0.00 C ATOM 689 CG LEU A 48 -1.242 -1.484 5.648 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.494 -0.916 6.298 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.609 -2.491 4.568 1.00 0.00 C ATOM 0 H LEU A 48 0.722 1.927 4.497 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.540 0.760 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.977 0.175 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.456 -0.810 4.536 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.661 -1.999 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.093 -1.730 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.210 -0.235 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.078 -0.376 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.220 -3.283 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.171 -1.990 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.700 -2.922 4.149 1.00 0.00 H new ATOM 703 N GLU A 49 1.567 0.044 7.952 1.00 0.00 N ATOM 704 CA GLU A 49 2.782 -0.419 8.613 1.00 0.00 C ATOM 705 C GLU A 49 2.695 -1.909 8.931 1.00 0.00 C ATOM 706 O GLU A 49 1.605 -2.479 8.996 1.00 0.00 O ATOM 707 CB GLU A 49 3.024 0.375 9.898 1.00 0.00 C ATOM 708 CG GLU A 49 2.038 0.051 11.009 1.00 0.00 C ATOM 709 CD GLU A 49 2.208 -1.357 11.546 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.351 -1.860 11.540 1.00 0.00 O ATOM 711 OE2 GLU A 49 1.198 -1.955 11.972 1.00 0.00 O ATOM 0 H GLU A 49 0.799 0.263 8.586 1.00 0.00 H new ATOM 0 HA GLU A 49 3.618 -0.259 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.036 0.177 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.968 1.440 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.166 0.764 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.022 0.173 10.635 1.00 0.00 H new ATOM 718 N LEU A 50 3.850 -2.534 9.129 1.00 0.00 N ATOM 719 CA LEU A 50 3.906 -3.958 9.440 1.00 0.00 C ATOM 720 C LEU A 50 4.829 -4.220 10.626 1.00 0.00 C ATOM 721 O LEU A 50 5.886 -3.602 10.751 1.00 0.00 O ATOM 722 CB LEU A 50 4.386 -4.748 8.222 1.00 0.00 C ATOM 723 CG LEU A 50 3.593 -4.539 6.931 1.00 0.00 C ATOM 724 CD1 LEU A 50 4.341 -5.124 5.744 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.209 -5.160 7.050 1.00 0.00 C ATOM 0 H LEU A 50 4.761 -2.077 9.080 1.00 0.00 H new ATOM 0 HA LEU A 50 2.901 -4.286 9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.427 -4.487 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.364 -5.809 8.470 1.00 0.00 H new ATOM 0 HG LEU A 50 3.477 -3.468 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.761 -4.966 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.310 -4.634 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.489 -6.193 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.658 -5.002 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.305 -6.229 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.671 -4.694 7.875 1.00 0.00 H new ATOM 737 N GLN A 51 4.422 -5.141 11.494 1.00 0.00 N ATOM 738 CA GLN A 51 5.214 -5.486 12.669 1.00 0.00 C ATOM 739 C GLN A 51 5.522 -6.980 12.698 1.00 0.00 C ATOM 740 O GLN A 51 4.702 -7.800 12.289 1.00 0.00 O ATOM 741 CB GLN A 51 4.474 -5.081 13.945 1.00 0.00 C ATOM 742 CG GLN A 51 4.431 -3.578 14.171 1.00 0.00 C ATOM 743 CD GLN A 51 4.040 -3.213 15.590 1.00 0.00 C ATOM 744 OE1 GLN A 51 2.858 -3.064 15.902 1.00 0.00 O ATOM 745 NE2 GLN A 51 5.034 -3.067 16.459 1.00 0.00 N ATOM 0 H GLN A 51 3.549 -5.661 11.406 1.00 0.00 H new ATOM 0 HA GLN A 51 6.156 -4.940 12.615 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.454 -5.463 13.901 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.955 -5.555 14.800 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.409 -3.152 13.947 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.721 -3.130 13.476 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.999 -3.200 16.157 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.832 -2.822 17.428 1.00 0.00 H new ATOM 959 N LYS A 65 8.546 -2.719 7.831 1.00 0.00 N ATOM 960 CA LYS A 65 8.084 -2.646 6.450 1.00 0.00 C ATOM 961 C LYS A 65 6.753 -1.906 6.360 1.00 0.00 C ATOM 962 O LYS A 65 5.699 -2.464 6.665 1.00 0.00 O ATOM 963 CB LYS A 65 7.937 -4.053 5.865 1.00 0.00 C ATOM 964 CG LYS A 65 9.242 -4.636 5.351 1.00 0.00 C ATOM 965 CD LYS A 65 8.997 -5.766 4.364 1.00 0.00 C ATOM 966 CE LYS A 65 8.538 -7.032 5.069 1.00 0.00 C ATOM 967 NZ LYS A 65 8.183 -8.108 4.102 1.00 0.00 N ATOM 0 HA LYS A 65 8.827 -2.094 5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.529 -4.715 6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.215 -4.025 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.827 -3.852 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.832 -5.006 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.244 -5.459 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.912 -5.969 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.328 -7.385 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.674 -6.807 5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.875 -8.954 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.412 -7.780 3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.014 -8.341 3.522 1.00 0.00 H new ATOM 981 N VAL A 66 6.809 -0.647 5.937 1.00 0.00 N ATOM 982 CA VAL A 66 5.608 0.169 5.804 1.00 0.00 C ATOM 983 C VAL A 66 5.317 0.484 4.341 1.00 0.00 C ATOM 984 O VAL A 66 6.140 1.085 3.649 1.00 0.00 O ATOM 985 CB VAL A 66 5.736 1.489 6.586 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.655 2.456 5.855 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.366 2.110 6.812 1.00 0.00 C ATOM 0 H VAL A 66 7.673 -0.170 5.681 1.00 0.00 H new ATOM 0 HA VAL A 66 4.784 -0.411 6.219 1.00 0.00 H new ATOM 0 HB VAL A 66 6.176 1.273 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.733 3.383 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.644 2.010 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.247 2.669 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.476 3.042 7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.895 2.313 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.743 1.420 7.382 1.00 0.00 H new ATOM 997 N ILE A 67 4.141 0.075 3.876 1.00 0.00 N ATOM 998 CA ILE A 67 3.741 0.316 2.495 1.00 0.00 C ATOM 999 C ILE A 67 2.706 1.433 2.409 1.00 0.00 C ATOM 1000 O ILE A 67 1.581 1.289 2.887 1.00 0.00 O ATOM 1001 CB ILE A 67 3.161 -0.955 1.847 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.151 -2.115 1.974 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.823 -0.698 0.387 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.493 -3.477 1.946 1.00 0.00 C ATOM 0 H ILE A 67 3.449 -0.424 4.435 1.00 0.00 H new ATOM 0 HA ILE A 67 4.639 0.613 1.954 1.00 0.00 H new ATOM 0 HB ILE A 67 2.244 -1.226 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.876 -2.054 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.706 -2.008 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.414 -1.606 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.086 0.103 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.726 -0.406 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.255 -4.251 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.789 -3.558 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.961 -3.605 1.003 1.00 0.00 H new ATOM 1016 N ARG A 68 3.095 2.546 1.795 1.00 0.00 N ATOM 1017 CA ARG A 68 2.202 3.688 1.646 1.00 0.00 C ATOM 1018 C ARG A 68 1.025 3.343 0.737 1.00 0.00 C ATOM 1019 O ARG A 68 1.212 2.912 -0.402 1.00 0.00 O ATOM 1020 CB ARG A 68 2.963 4.888 1.079 1.00 0.00 C ATOM 1021 CG ARG A 68 3.980 5.475 2.044 1.00 0.00 C ATOM 1022 CD ARG A 68 5.183 4.560 2.211 1.00 0.00 C ATOM 1023 NE ARG A 68 6.401 5.307 2.512 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.993 6.125 1.649 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.481 6.302 0.439 1.00 0.00 N ATOM 1026 NH2 ARG A 68 8.100 6.770 1.997 1.00 0.00 N ATOM 0 H ARG A 68 4.023 2.681 1.393 1.00 0.00 H new ATOM 0 HA ARG A 68 1.815 3.945 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.474 4.585 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.248 5.663 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.310 6.448 1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.510 5.640 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.988 3.847 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.328 3.982 1.298 1.00 0.00 H new ATOM 0 HE ARG A 68 6.820 5.195 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.630 5.809 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.938 6.931 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.496 6.638 2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.554 7.398 1.334 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.186 3.535 1.247 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.393 3.243 0.482 1.00 0.00 C ATOM 1042 C LEU A 69 -1.424 4.047 -0.814 1.00 0.00 C ATOM 1043 O LEU A 69 -2.207 3.755 -1.718 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.637 3.554 1.317 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.941 2.580 2.457 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.250 2.947 3.138 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.990 1.151 1.938 1.00 0.00 C ATOM 0 H LEU A 69 -0.358 3.892 2.187 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.386 2.182 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.526 4.553 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.499 3.583 0.651 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.140 2.651 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.450 2.243 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.178 3.956 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.062 2.906 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.207 0.472 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.770 1.065 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.028 0.891 1.497 1.00 0.00 H new ATOM 1059 N SER A 70 -0.565 5.058 -0.898 1.00 0.00 N ATOM 1060 CA SER A 70 -0.495 5.904 -2.083 1.00 0.00 C ATOM 1061 C SER A 70 0.288 5.215 -3.197 1.00 0.00 C ATOM 1062 O SER A 70 0.111 5.522 -4.376 1.00 0.00 O ATOM 1063 CB SER A 70 0.158 7.245 -1.740 1.00 0.00 C ATOM 1064 OG SER A 70 -0.787 8.145 -1.187 1.00 0.00 O ATOM 0 H SER A 70 0.092 5.311 -0.160 1.00 0.00 H new ATOM 0 HA SER A 70 -1.512 6.082 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.972 7.087 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.597 7.680 -2.638 1.00 0.00 H new ATOM 0 HG SER A 70 -0.345 8.994 -0.975 1.00 0.00 H new ATOM 1070 N ASP A 71 1.153 4.283 -2.814 1.00 0.00 N ATOM 1071 CA ASP A 71 1.963 3.549 -3.779 1.00 0.00 C ATOM 1072 C ASP A 71 1.133 2.480 -4.483 1.00 0.00 C ATOM 1073 O ASP A 71 1.495 2.010 -5.562 1.00 0.00 O ATOM 1074 CB ASP A 71 3.164 2.905 -3.084 1.00 0.00 C ATOM 1075 CG ASP A 71 4.172 3.930 -2.602 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.448 4.890 -3.352 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.684 3.773 -1.474 1.00 0.00 O ATOM 0 H ASP A 71 1.312 4.018 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 71 2.322 4.256 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.816 2.315 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.652 2.216 -3.773 1.00 0.00 H new ATOM 1082 N CYS A 72 0.022 2.099 -3.864 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.859 1.083 -4.429 1.00 0.00 C ATOM 1084 C CYS A 72 -1.367 1.508 -5.803 1.00 0.00 C ATOM 1085 O CYS A 72 -2.188 2.419 -5.919 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.040 0.823 -3.493 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.567 0.525 -1.774 1.00 0.00 S ATOM 0 H CYS A 72 -0.291 2.478 -2.970 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.286 0.163 -4.542 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.714 1.679 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.598 -0.039 -3.860 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.634 0.318 -1.060 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.873 0.843 -6.842 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.276 1.153 -8.210 1.00 0.00 C ATOM 1095 C LEU A 73 -2.657 0.581 -8.514 1.00 0.00 C ATOM 1096 O LEU A 73 -3.432 1.170 -9.267 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.252 0.598 -9.202 1.00 0.00 C ATOM 1098 CG LEU A 73 1.096 1.318 -9.247 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.141 0.450 -9.931 1.00 0.00 C ATOM 1100 CD2 LEU A 73 0.963 2.656 -9.959 1.00 0.00 C ATOM 0 H LEU A 73 -0.193 0.086 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.322 2.237 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.074 -0.450 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.690 0.626 -10.200 1.00 0.00 H new ATOM 0 HG LEU A 73 1.421 1.505 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.094 0.978 -9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.257 -0.483 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.822 0.232 -10.950 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.932 3.154 -9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.615 2.492 -10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.246 3.281 -9.427 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.959 -0.569 -7.920 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.247 -1.220 -8.126 1.00 0.00 C ATOM 1114 C ARG A 74 -4.392 -2.438 -7.219 1.00 0.00 C ATOM 1115 O ARG A 74 -3.420 -3.143 -6.949 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.402 -1.639 -9.589 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.848 -1.812 -10.024 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.512 -0.471 -10.298 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.118 0.079 -11.592 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.667 -0.286 -12.745 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.630 -1.198 -12.764 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.255 0.260 -13.881 1.00 0.00 N ATOM 0 H ARG A 74 -2.329 -1.069 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.031 -0.506 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.928 -0.891 -10.224 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.869 -2.577 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.888 -2.429 -10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.401 -2.342 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.595 -0.590 -10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.247 0.233 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.380 0.783 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.950 -1.620 -11.892 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.051 -1.477 -13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.515 0.962 -13.871 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.678 -0.022 -14.765 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.613 -2.679 -6.751 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.886 -3.811 -5.874 1.00 0.00 C ATOM 1138 C VAL A 75 -7.097 -4.601 -6.357 1.00 0.00 C ATOM 1139 O VAL A 75 -7.822 -4.161 -7.249 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.131 -3.352 -4.424 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.109 -2.303 -4.016 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.547 -2.819 -4.267 1.00 0.00 C ATOM 0 H VAL A 75 -6.429 -2.105 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.004 -4.451 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.016 -4.212 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.298 -1.991 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.106 -2.724 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.189 -1.441 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.703 -2.499 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.693 -1.971 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.261 -3.604 -4.515 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.311 -5.770 -5.762 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.436 -6.620 -6.130 1.00 0.00 C ATOM 1154 C ALA A 76 -8.852 -7.514 -4.966 1.00 0.00 C ATOM 1155 O ALA A 76 -8.216 -7.512 -3.913 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.084 -7.464 -7.346 1.00 0.00 C ATOM 0 H ALA A 76 -6.720 -6.150 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.280 -5.976 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.933 -8.094 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.842 -6.811 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.224 -8.092 -7.116 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.923 -8.276 -5.165 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.423 -9.173 -4.131 1.00 0.00 C ATOM 1164 C GLU A 77 -10.336 -10.628 -4.583 1.00 0.00 C ATOM 1165 O GLU A 77 -10.962 -11.022 -5.566 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.871 -8.824 -3.778 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.039 -7.423 -3.215 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.453 -6.897 -3.372 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.305 -7.221 -2.519 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.706 -6.161 -4.349 1.00 0.00 O ATOM 0 H GLU A 77 -10.460 -8.290 -6.032 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.800 -9.047 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.488 -8.924 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.243 -9.546 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.771 -7.426 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.346 -6.748 -3.718 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.553 -11.421 -3.858 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.384 -12.832 -4.183 1.00 0.00 C ATOM 1179 C ALA A 78 -10.051 -13.720 -3.138 1.00 0.00 C ATOM 1180 O ALA A 78 -10.676 -13.228 -2.199 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.905 -13.172 -4.301 1.00 0.00 C ATOM 0 H ALA A 78 -9.026 -11.110 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.867 -13.019 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.793 -14.229 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.455 -12.569 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.407 -12.963 -3.354 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.270 -20.594 5.309 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.989 -19.556 6.037 1.00 0.00 C ATOM 1288 C ASP A 87 -12.238 -18.230 5.976 1.00 0.00 C ATOM 1289 O ASP A 87 -12.300 -17.424 6.906 1.00 0.00 O ATOM 1290 CB ASP A 87 -13.193 -19.974 7.494 1.00 0.00 C ATOM 1291 CG ASP A 87 -14.454 -19.383 8.095 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.875 -18.298 7.643 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -15.020 -20.007 9.016 1.00 0.00 O ATOM 0 HA ASP A 87 -13.963 -19.423 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.241 -21.061 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.331 -19.660 8.083 1.00 0.00 H new ATOM 1298 N THR A 88 -11.526 -18.009 4.875 1.00 0.00 N ATOM 1299 CA THR A 88 -10.761 -16.782 4.693 1.00 0.00 C ATOM 1300 C THR A 88 -10.761 -16.345 3.233 1.00 0.00 C ATOM 1301 O THR A 88 -11.256 -17.060 2.362 1.00 0.00 O ATOM 1302 CB THR A 88 -9.305 -16.953 5.166 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.747 -18.149 4.612 1.00 0.00 O ATOM 1304 CG2 THR A 88 -9.232 -17.009 6.685 1.00 0.00 C ATOM 0 H THR A 88 -11.463 -18.664 4.096 1.00 0.00 H new ATOM 0 HA THR A 88 -11.245 -16.015 5.298 1.00 0.00 H new ATOM 0 HB THR A 88 -8.731 -16.092 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.821 -18.249 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.194 -17.130 6.995 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.630 -16.084 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.820 -17.853 7.047 1.00 0.00 H new ATOM 1312 N SER A 89 -10.202 -15.168 2.972 1.00 0.00 N ATOM 1313 CA SER A 89 -10.140 -14.634 1.616 1.00 0.00 C ATOM 1314 C SER A 89 -8.907 -13.755 1.434 1.00 0.00 C ATOM 1315 O SER A 89 -8.584 -12.934 2.291 1.00 0.00 O ATOM 1316 CB SER A 89 -11.404 -13.831 1.304 1.00 0.00 C ATOM 1317 OG SER A 89 -11.720 -13.893 -0.076 1.00 0.00 O ATOM 0 H SER A 89 -9.785 -14.565 3.682 1.00 0.00 H new ATOM 0 HA SER A 89 -10.071 -15.473 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.238 -14.218 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.261 -12.792 1.601 1.00 0.00 H new ATOM 0 HG SER A 89 -11.031 -13.424 -0.591 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.221 -13.935 0.310 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.024 -13.158 0.013 1.00 0.00 C ATOM 1325 C ALA A 90 -7.347 -11.979 -0.898 1.00 0.00 C ATOM 1326 O ALA A 90 -8.262 -12.048 -1.720 1.00 0.00 O ATOM 1327 CB ALA A 90 -5.964 -14.045 -0.625 1.00 0.00 C ATOM 0 H ALA A 90 -8.474 -14.612 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.635 -12.763 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.076 -13.452 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.704 -14.851 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.353 -14.468 -1.551 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.592 -10.896 -0.747 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.800 -9.700 -1.555 1.00 0.00 C ATOM 1335 C PHE A 91 -5.548 -9.364 -2.361 1.00 0.00 C ATOM 1336 O PHE A 91 -4.438 -9.752 -1.996 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.179 -8.516 -0.663 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.115 -8.149 0.331 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.034 -8.801 1.551 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.196 -7.152 0.046 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.056 -8.465 2.468 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.216 -6.812 0.959 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.145 -7.470 2.171 1.00 0.00 C ATOM 0 H PHE A 91 -5.830 -10.822 -0.072 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.616 -9.898 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.391 -7.651 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.098 -8.754 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.743 -9.580 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.246 -6.635 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.004 -8.980 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.506 -6.032 0.725 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.379 -7.207 2.885 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.736 -8.639 -3.459 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.623 -8.252 -4.318 1.00 0.00 C ATOM 1355 C PHE A 92 -4.073 -6.887 -3.913 1.00 0.00 C ATOM 1356 O PHE A 92 -4.801 -6.041 -3.391 1.00 0.00 O ATOM 1357 CB PHE A 92 -5.068 -8.221 -5.782 1.00 0.00 C ATOM 1358 CG PHE A 92 -5.044 -9.569 -6.444 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.867 -10.074 -6.975 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.197 -10.331 -6.535 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.843 -11.313 -7.585 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.178 -11.572 -7.144 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.999 -12.064 -7.669 1.00 0.00 C ATOM 0 H PHE A 92 -6.648 -8.308 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.832 -8.993 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.078 -7.815 -5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.421 -7.541 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.959 -9.492 -6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.121 -9.951 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.920 -11.695 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.084 -12.156 -7.209 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.981 -13.034 -8.144 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.784 -6.680 -4.157 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.135 -5.418 -3.818 1.00 0.00 C ATOM 1375 C LEU A 93 -0.927 -5.168 -4.716 1.00 0.00 C ATOM 1376 O LEU A 93 0.115 -5.804 -4.561 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.701 -5.423 -2.351 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.632 -4.057 -1.666 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.130 -4.201 -0.238 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.740 -3.110 -2.455 1.00 0.00 C ATOM 0 H LEU A 93 -2.168 -7.369 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.854 -4.614 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.392 -6.053 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.718 -5.890 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.637 -3.636 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.087 -3.219 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.808 -4.844 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.134 -4.643 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.702 -2.143 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.266 -3.525 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.144 -2.982 -3.459 1.00 0.00 H new ATOM 1392 N GLU A 94 -1.076 -4.237 -5.653 1.00 0.00 N ATOM 1393 CA GLU A 94 0.004 -3.903 -6.574 1.00 0.00 C ATOM 1394 C GLU A 94 0.618 -2.550 -6.226 1.00 0.00 C ATOM 1395 O GLU A 94 -0.094 -1.588 -5.934 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.512 -3.885 -8.015 1.00 0.00 C ATOM 1397 CG GLU A 94 0.593 -3.892 -9.058 1.00 0.00 C ATOM 1398 CD GLU A 94 0.057 -3.861 -10.476 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.302 -4.937 -10.998 1.00 0.00 O ATOM 1400 OE2 GLU A 94 -0.005 -2.760 -11.062 1.00 0.00 O ATOM 0 H GLU A 94 -1.933 -3.701 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 94 0.775 -4.667 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.154 -4.751 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.131 -2.999 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.242 -3.031 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.207 -4.783 -8.925 1.00 0.00 H new ATOM 1407 N THR A 95 1.945 -2.483 -6.257 1.00 0.00 N ATOM 1408 CA THR A 95 2.656 -1.250 -5.943 1.00 0.00 C ATOM 1409 C THR A 95 3.746 -0.967 -6.971 1.00 0.00 C ATOM 1410 O THR A 95 4.062 -1.815 -7.805 1.00 0.00 O ATOM 1411 CB THR A 95 3.292 -1.310 -4.541 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.250 -2.372 -4.482 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.228 -1.520 -3.473 1.00 0.00 C ATOM 0 H THR A 95 2.550 -3.269 -6.497 1.00 0.00 H new ATOM 0 HA THR A 95 1.920 -0.446 -5.966 1.00 0.00 H new ATOM 0 HB THR A 95 3.792 -0.360 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.891 -3.162 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.700 -1.559 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.517 -0.694 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.704 -2.457 -3.661 1.00 0.00 H new ATOM 1421 N LYS A 96 4.317 0.231 -6.905 1.00 0.00 N ATOM 1422 CA LYS A 96 5.374 0.627 -7.828 1.00 0.00 C ATOM 1423 C LYS A 96 6.495 -0.408 -7.849 1.00 0.00 C ATOM 1424 O LYS A 96 7.177 -0.577 -8.859 1.00 0.00 O ATOM 1425 CB LYS A 96 5.936 1.995 -7.437 1.00 0.00 C ATOM 1426 CG LYS A 96 4.907 3.111 -7.483 1.00 0.00 C ATOM 1427 CD LYS A 96 5.551 4.452 -7.793 1.00 0.00 C ATOM 1428 CE LYS A 96 5.615 4.707 -9.291 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.798 6.152 -9.600 1.00 0.00 N ATOM 0 H LYS A 96 4.065 0.945 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 96 4.943 0.691 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.349 1.934 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.760 2.244 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.156 2.884 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.388 3.168 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.984 5.249 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.557 4.479 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.438 4.136 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.699 4.348 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.837 6.284 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.000 6.694 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.685 6.488 -9.174 1.00 0.00 H new ATOM 1443 N GLU A 97 6.677 -1.098 -6.727 1.00 0.00 N ATOM 1444 CA GLU A 97 7.715 -2.117 -6.618 1.00 0.00 C ATOM 1445 C GLU A 97 7.316 -3.383 -7.370 1.00 0.00 C ATOM 1446 O GLU A 97 7.862 -3.686 -8.431 1.00 0.00 O ATOM 1447 CB GLU A 97 7.984 -2.447 -5.149 1.00 0.00 C ATOM 1448 CG GLU A 97 9.127 -3.428 -4.945 1.00 0.00 C ATOM 1449 CD GLU A 97 10.472 -2.847 -5.336 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.747 -1.687 -4.966 1.00 0.00 O ATOM 1451 OE2 GLU A 97 11.248 -3.553 -6.013 1.00 0.00 O ATOM 0 H GLU A 97 6.120 -0.970 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 97 8.626 -1.721 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.208 -1.525 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.078 -2.861 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.157 -3.732 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.939 -4.326 -5.533 1.00 0.00 H new ATOM 1458 N ARG A 98 6.360 -4.119 -6.813 1.00 0.00 N ATOM 1459 CA ARG A 98 5.889 -5.353 -7.429 1.00 0.00 C ATOM 1460 C ARG A 98 4.506 -5.729 -6.904 1.00 0.00 C ATOM 1461 O ARG A 98 3.930 -5.020 -6.078 1.00 0.00 O ATOM 1462 CB ARG A 98 6.875 -6.492 -7.160 1.00 0.00 C ATOM 1463 CG ARG A 98 6.903 -6.943 -5.709 1.00 0.00 C ATOM 1464 CD ARG A 98 7.676 -8.242 -5.544 1.00 0.00 C ATOM 1465 NE ARG A 98 8.092 -8.460 -4.162 1.00 0.00 N ATOM 1466 CZ ARG A 98 9.152 -7.877 -3.613 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.898 -7.044 -4.326 1.00 0.00 N ATOM 1468 NH2 ARG A 98 9.467 -8.125 -2.348 1.00 0.00 N ATOM 0 H ARG A 98 5.896 -3.882 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 98 5.819 -5.189 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.616 -7.342 -7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.875 -6.172 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.359 -6.167 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.883 -7.077 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.056 -9.077 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.555 -8.225 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 98 7.539 -9.095 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.658 -6.850 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.711 -6.598 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.895 -8.764 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.281 -7.677 -1.928 1.00 0.00 H new ATOM 1482 N LEU A 99 3.979 -6.848 -7.390 1.00 0.00 N ATOM 1483 CA LEU A 99 2.663 -7.318 -6.971 1.00 0.00 C ATOM 1484 C LEU A 99 2.767 -8.180 -5.716 1.00 0.00 C ATOM 1485 O LEU A 99 3.583 -9.100 -5.649 1.00 0.00 O ATOM 1486 CB LEU A 99 2.002 -8.115 -8.097 1.00 0.00 C ATOM 1487 CG LEU A 99 0.617 -8.686 -7.792 1.00 0.00 C ATOM 1488 CD1 LEU A 99 -0.356 -7.570 -7.445 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.103 -9.498 -8.972 1.00 0.00 C ATOM 0 H LEU A 99 4.443 -7.446 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 99 2.049 -6.447 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.923 -7.471 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.662 -8.940 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 99 0.700 -9.348 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.336 -7.996 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.005 -7.032 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.435 -6.882 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.884 -9.897 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.036 -8.858 -9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.788 -10.321 -9.173 1.00 0.00 H new ATOM 1501 N TYR A 100 1.935 -7.877 -4.726 1.00 0.00 N ATOM 1502 CA TYR A 100 1.933 -8.624 -3.474 1.00 0.00 C ATOM 1503 C TYR A 100 0.577 -9.278 -3.231 1.00 0.00 C ATOM 1504 O TYR A 100 -0.469 -8.656 -3.424 1.00 0.00 O ATOM 1505 CB TYR A 100 2.283 -7.701 -2.305 1.00 0.00 C ATOM 1506 CG TYR A 100 3.671 -7.108 -2.397 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.796 -7.876 -2.122 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.858 -5.779 -2.759 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.066 -7.338 -2.203 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.124 -5.233 -2.844 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.225 -6.016 -2.565 1.00 0.00 C ATOM 1512 OH TYR A 100 7.488 -5.477 -2.649 1.00 0.00 O ATOM 0 H TYR A 100 1.253 -7.119 -4.766 1.00 0.00 H new ATOM 0 HA TYR A 100 2.686 -9.409 -3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.554 -6.892 -2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.197 -8.260 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.675 -8.912 -1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.999 -5.163 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.929 -7.949 -1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.251 -4.199 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 100 8.079 -5.927 -2.010 1.00 0.00 H new ATOM 1522 N LEU A 101 0.602 -10.536 -2.807 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.626 -11.277 -2.537 1.00 0.00 C ATOM 1524 C LEU A 101 -0.725 -11.645 -1.060 1.00 0.00 C ATOM 1525 O LEU A 101 -0.130 -12.626 -0.612 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.681 -12.542 -3.395 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.850 -13.489 -3.120 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -3.172 -12.811 -3.443 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.696 -14.773 -3.923 1.00 0.00 C ATOM 0 H LEU A 101 1.458 -11.065 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.471 -10.637 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.719 -12.245 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.248 -13.094 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.845 -13.744 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.993 -13.499 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.285 -11.921 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.187 -12.526 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.536 -15.435 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.675 -14.537 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.766 -15.268 -3.643 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.483 -10.854 -0.308 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.663 -11.098 1.119 1.00 0.00 C ATOM 1543 C LEU A 102 -3.003 -11.772 1.391 1.00 0.00 C ATOM 1544 O LEU A 102 -3.921 -11.705 0.573 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.573 -9.783 1.896 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.197 -9.118 1.932 1.00 0.00 C ATOM 1547 CD1 LEU A 102 -0.034 -8.163 0.760 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.007 -8.385 3.251 1.00 0.00 C ATOM 0 H LEU A 102 -1.983 -10.039 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.868 -11.765 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.283 -9.079 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.892 -9.968 2.922 1.00 0.00 H new ATOM 0 HG LEU A 102 0.563 -9.895 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.952 -7.699 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.136 -8.714 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.801 -7.390 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.992 -7.918 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.759 -7.618 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.065 -9.094 4.076 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.110 -12.420 2.546 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.340 -13.103 2.929 1.00 0.00 C ATOM 1562 C ALA A 103 -4.979 -12.443 4.146 1.00 0.00 C ATOM 1563 O ALA A 103 -4.289 -12.063 5.092 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.063 -14.573 3.207 1.00 0.00 C ATOM 0 H ALA A 103 -2.359 -12.487 3.233 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.042 -13.028 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.990 -15.070 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.660 -15.043 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.341 -14.660 4.019 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.301 -12.308 4.115 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.032 -11.695 5.216 1.00 0.00 C ATOM 1572 C ALA A 104 -8.308 -12.470 5.527 1.00 0.00 C ATOM 1573 O ALA A 104 -8.870 -13.156 4.672 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.359 -10.245 4.890 1.00 0.00 C ATOM 0 H ALA A 104 -6.887 -12.615 3.339 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.397 -11.723 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.905 -9.799 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.434 -9.692 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.972 -10.204 3.990 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.778 -12.361 6.778 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.993 -13.046 7.230 1.00 0.00 C ATOM 1582 C PRO A 105 -11.254 -12.463 6.601 1.00 0.00 C ATOM 1583 O PRO A 105 -11.595 -11.304 6.831 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.992 -12.810 8.742 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.205 -11.559 8.930 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.160 -11.561 7.848 1.00 0.00 C ATOM 0 HA PRO A 105 -9.996 -14.099 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.006 -12.701 9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.538 -13.647 9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.845 -10.680 8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.744 -11.532 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.928 -10.551 7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.226 -12.004 8.193 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.943 -13.276 5.807 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.168 -12.841 5.147 1.00 0.00 C ATOM 1596 C ALA A 106 -13.953 -11.875 6.027 1.00 0.00 C ATOM 1597 O ALA A 106 -14.624 -10.972 5.529 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.027 -14.044 4.784 1.00 0.00 C ATOM 0 H ALA A 106 -11.674 -14.239 5.605 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.892 -12.315 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -14.939 -13.705 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.472 -14.697 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.286 -14.593 5.690 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.865 -12.072 7.339 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.566 -11.217 8.289 1.00 0.00 C ATOM 1606 C ALA A 107 -14.166 -9.756 8.111 1.00 0.00 C ATOM 1607 O ALA A 107 -15.022 -8.879 7.996 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.288 -11.672 9.713 1.00 0.00 C ATOM 0 H ALA A 107 -13.315 -12.816 7.768 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.635 -11.300 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.818 -11.025 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.629 -12.699 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.217 -11.619 9.909 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.861 -9.502 8.089 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.350 -8.147 7.927 1.00 0.00 C ATOM 1616 C GLU A 108 -12.083 -7.838 6.456 1.00 0.00 C ATOM 1617 O GLU A 108 -12.393 -6.749 5.973 1.00 0.00 O ATOM 1618 CB GLU A 108 -11.066 -7.961 8.739 1.00 0.00 C ATOM 1619 CG GLU A 108 -11.199 -8.386 10.192 1.00 0.00 C ATOM 1620 CD GLU A 108 -9.914 -8.198 10.974 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -9.543 -7.035 11.237 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -9.279 -9.215 11.324 1.00 0.00 O ATOM 0 H GLU A 108 -12.139 -10.217 8.181 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.108 -7.455 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.265 -8.535 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.771 -6.912 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.995 -7.810 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.496 -9.434 10.235 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.506 -8.805 5.750 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.195 -8.637 4.336 1.00 0.00 C ATOM 1631 C ARG A 109 -12.249 -7.776 3.646 1.00 0.00 C ATOM 1632 O ARG A 109 -11.931 -6.754 3.039 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.104 -10.000 3.646 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.548 -9.931 2.234 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.650 -9.702 1.211 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.796 -10.580 1.436 1.00 0.00 N ATOM 1637 CZ ARG A 109 -14.015 -10.330 0.971 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.245 -9.236 0.259 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.006 -11.176 1.217 1.00 0.00 N ATOM 0 H ARG A 109 -11.245 -9.713 6.134 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.231 -8.133 4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.474 -10.659 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.097 -10.449 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.817 -9.125 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.023 -10.858 2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.975 -8.663 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.255 -9.870 0.209 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.652 -11.431 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.485 -8.583 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.182 -9.047 -0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.833 -12.019 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.942 -10.983 0.860 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.507 -8.196 3.745 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.588 -7.452 3.126 1.00 0.00 C ATOM 1655 C GLY A 110 -14.465 -5.958 3.347 1.00 0.00 C ATOM 1656 O GLY A 110 -14.654 -5.169 2.421 1.00 0.00 O ATOM 0 H GLY A 110 -13.796 -9.038 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -14.600 -7.658 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.540 -7.798 3.528 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.150 -5.568 4.577 1.00 0.00 N ATOM 1661 CA ASP A 111 -14.002 -4.158 4.918 1.00 0.00 C ATOM 1662 C ASP A 111 -12.641 -3.631 4.474 1.00 0.00 C ATOM 1663 O ASP A 111 -12.534 -2.519 3.956 1.00 0.00 O ATOM 1664 CB ASP A 111 -14.176 -3.954 6.424 1.00 0.00 C ATOM 1665 CG ASP A 111 -15.633 -3.850 6.830 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -16.463 -3.482 5.972 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -15.943 -4.136 8.005 1.00 0.00 O ATOM 0 H ASP A 111 -13.992 -6.209 5.355 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.776 -3.600 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.712 -4.784 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.652 -3.048 6.728 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.605 -4.435 4.682 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.250 -4.049 4.304 1.00 0.00 C ATOM 1674 C TRP A 112 -10.221 -3.481 2.890 1.00 0.00 C ATOM 1675 O TRP A 112 -10.093 -2.271 2.699 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.309 -5.250 4.404 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.721 -5.432 5.771 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.876 -6.511 6.593 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.886 -4.506 6.474 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.188 -6.312 7.765 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.571 -5.090 7.717 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.371 -3.242 6.174 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.767 -4.451 8.657 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.574 -2.608 7.108 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.277 -3.213 8.337 1.00 0.00 C ATOM 0 H TRP A 112 -11.677 -5.358 5.110 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.913 -3.275 4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.853 -6.153 4.127 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.501 -5.131 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.455 -7.392 6.356 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -8.144 -6.968 8.545 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.592 -2.769 5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.538 -4.915 9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.173 -1.630 6.887 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.649 -2.693 9.045 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.340 -4.360 1.900 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.328 -3.945 0.503 1.00 0.00 C ATOM 1698 C VAL A 113 -11.067 -2.625 0.315 1.00 0.00 C ATOM 1699 O VAL A 113 -10.659 -1.783 -0.484 1.00 0.00 O ATOM 1700 CB VAL A 113 -10.967 -5.013 -0.405 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -10.983 -4.543 -1.852 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.227 -6.335 -0.274 1.00 0.00 C ATOM 0 H VAL A 113 -10.446 -5.365 2.040 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.283 -3.816 0.220 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.998 -5.167 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.438 -5.310 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.561 -3.622 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.962 -4.360 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.692 -7.078 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.186 -6.199 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.273 -6.677 0.760 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.157 -2.453 1.057 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.953 -1.235 0.971 1.00 0.00 C ATOM 1714 C GLN A 114 -12.157 -0.028 1.456 1.00 0.00 C ATOM 1715 O GLN A 114 -11.948 0.929 0.712 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.234 -1.380 1.795 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.348 -0.441 1.358 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.112 -0.962 0.156 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.178 -1.562 0.296 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -15.569 -0.735 -1.034 1.00 0.00 N ATOM 0 H GLN A 114 -12.508 -3.141 1.723 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.217 -1.076 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.588 -2.408 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.004 -1.194 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.040 -0.293 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.923 0.534 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -14.684 -0.233 -1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.037 -1.062 -1.879 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.715 -0.082 2.708 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.940 1.006 3.292 1.00 0.00 C ATOM 1731 C ALA A 115 -9.650 1.241 2.513 1.00 0.00 C ATOM 1732 O ALA A 115 -9.400 2.343 2.025 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.630 0.710 4.752 1.00 0.00 C ATOM 0 H ALA A 115 -11.880 -0.867 3.337 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.539 1.915 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.051 1.531 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.562 0.600 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.055 -0.213 4.822 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.834 0.198 2.401 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.570 0.291 1.681 1.00 0.00 C ATOM 1741 C ILE A 116 -7.760 0.955 0.321 1.00 0.00 C ATOM 1742 O ILE A 116 -6.982 1.827 -0.069 1.00 0.00 O ATOM 1743 CB ILE A 116 -6.934 -1.097 1.478 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.639 -1.749 2.830 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.662 -0.980 0.652 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.255 -3.209 2.726 1.00 0.00 C ATOM 0 H ILE A 116 -9.026 -0.721 2.800 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.903 0.901 2.291 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.639 -1.728 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.832 -1.203 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.518 -1.657 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.224 -1.969 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -5.899 -0.552 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -4.951 -0.335 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.060 -3.606 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.070 -3.768 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.358 -3.307 2.115 1.00 0.00 H new ATOM 1758 N CYS A 117 -8.799 0.538 -0.394 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.092 1.093 -1.711 1.00 0.00 C ATOM 1760 C CYS A 117 -9.708 2.483 -1.590 1.00 0.00 C ATOM 1761 O CYS A 117 -9.539 3.328 -2.471 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.037 0.168 -2.478 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.411 0.723 -4.158 1.00 0.00 S ATOM 0 H CYS A 117 -9.452 -0.182 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.154 1.178 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -9.595 -0.827 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -10.970 0.076 -1.921 1.00 0.00 H new ATOM 0 HG CYS A 117 -9.369 1.317 -4.661 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.424 2.714 -0.495 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.067 4.002 -0.259 1.00 0.00 C ATOM 1771 C LEU A 118 -10.032 5.118 -0.161 1.00 0.00 C ATOM 1772 O LEU A 118 -10.246 6.223 -0.662 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.901 3.951 1.022 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.330 3.429 0.873 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.856 2.922 2.206 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.239 4.517 0.318 1.00 0.00 C ATOM 0 H LEU A 118 -10.574 2.026 0.243 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.722 4.213 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.380 3.324 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.945 4.955 1.443 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.320 2.596 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.874 2.555 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.220 2.112 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.851 3.735 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.253 4.128 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.242 5.370 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.874 4.833 -0.659 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.909 4.822 0.484 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.839 5.800 0.645 1.00 0.00 C ATOM 1790 C LEU A 119 -6.772 5.622 -0.431 1.00 0.00 C ATOM 1791 O LEU A 119 -6.434 6.565 -1.145 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.207 5.669 2.032 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.996 6.284 3.189 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.485 5.758 4.522 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.911 7.803 3.145 1.00 0.00 C ATOM 0 H LEU A 119 -8.716 3.913 0.904 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.271 6.795 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.057 4.610 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.220 6.131 2.005 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.042 5.996 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.058 6.206 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.598 4.674 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.432 6.016 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.478 8.223 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.869 8.112 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.325 8.163 2.203 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.247 4.406 -0.541 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.222 4.103 -1.532 1.00 0.00 C ATOM 1809 C ALA A 120 -5.526 4.786 -2.861 1.00 0.00 C ATOM 1810 O ALA A 120 -4.615 5.186 -3.587 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.102 2.599 -1.724 1.00 0.00 C ATOM 0 H ALA A 120 -6.515 3.615 0.044 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.271 4.488 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.333 2.387 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.831 2.132 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.056 2.199 -2.066 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.811 4.915 -3.175 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.234 5.547 -4.419 1.00 0.00 C ATOM 1819 C PHE A 121 -7.796 6.942 -4.156 1.00 0.00 C ATOM 1820 O PHE A 121 -8.812 7.332 -4.731 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.285 4.686 -5.122 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.799 3.306 -5.461 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.456 2.412 -4.460 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -7.685 2.902 -6.782 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.009 1.141 -4.768 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -7.240 1.632 -7.097 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.900 0.751 -6.089 1.00 0.00 C ATOM 0 H PHE A 121 -7.577 4.590 -2.585 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.361 5.641 -5.065 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.164 4.606 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.600 5.187 -6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.539 2.712 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.947 3.588 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.745 0.454 -3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -7.158 1.329 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.550 -0.241 -6.333 1.00 0.00 H new