USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 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 Single : A 14 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.18) USER MOD Single : A 15 GLN : amide:sc= -0.0554 K(o=-0.055,f=-0.65) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.0607 (180deg=-0.421) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -129:sc= -5.25! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00322 USER MOD Single : A 95 THR OG1 : rot -25:sc= 0.762 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0117 (180deg=-0.272) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.772 K(o=-0.77,f=-3.8!) USER MOD Single : A 117 CYS SG : rot -26:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.636 4.088 12.373 1.00 0.00 N ATOM 120 CA VAL A 13 -8.084 4.010 12.224 1.00 0.00 C ATOM 121 C VAL A 13 -8.580 2.580 12.409 1.00 0.00 C ATOM 122 O VAL A 13 -9.507 2.327 13.178 1.00 0.00 O ATOM 123 CB VAL A 13 -8.535 4.524 10.844 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.041 4.375 10.684 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.111 5.972 10.650 1.00 0.00 C ATOM 0 HA VAL A 13 -8.516 4.644 12.998 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.051 3.921 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.341 4.743 9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.314 3.324 10.776 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.548 4.951 11.458 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.438 6.319 9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.565 6.591 11.424 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.026 6.045 10.717 1.00 0.00 H new ATOM 135 N LYS A 14 -7.956 1.647 11.698 1.00 0.00 N ATOM 136 CA LYS A 14 -8.331 0.241 11.784 1.00 0.00 C ATOM 137 C LYS A 14 -7.116 -0.628 12.093 1.00 0.00 C ATOM 138 O LYS A 14 -6.023 -0.386 11.583 1.00 0.00 O ATOM 139 CB LYS A 14 -8.978 -0.216 10.474 1.00 0.00 C ATOM 140 CG LYS A 14 -9.632 -1.584 10.564 1.00 0.00 C ATOM 141 CD LYS A 14 -10.041 -2.098 9.194 1.00 0.00 C ATOM 142 CE LYS A 14 -10.464 -3.558 9.250 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.838 -3.717 9.801 1.00 0.00 N ATOM 0 H LYS A 14 -7.188 1.840 11.055 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.050 0.131 12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.727 0.517 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.220 -0.236 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.941 -2.289 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.509 -1.527 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.863 -1.495 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.209 -1.985 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.423 -3.987 8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.759 -4.117 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.044 -4.728 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.904 -3.227 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.527 -3.307 9.139 1.00 0.00 H new ATOM 157 N GLN A 15 -7.317 -1.641 12.930 1.00 0.00 N ATOM 158 CA GLN A 15 -6.237 -2.546 13.306 1.00 0.00 C ATOM 159 C GLN A 15 -6.636 -3.999 13.066 1.00 0.00 C ATOM 160 O GLN A 15 -7.765 -4.397 13.345 1.00 0.00 O ATOM 161 CB GLN A 15 -5.861 -2.344 14.775 1.00 0.00 C ATOM 162 CG GLN A 15 -5.306 -0.962 15.076 1.00 0.00 C ATOM 163 CD GLN A 15 -5.415 -0.596 16.543 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.421 -0.882 17.193 1.00 0.00 O ATOM 165 NE2 GLN A 15 -4.378 0.041 17.073 1.00 0.00 N ATOM 0 H GLN A 15 -8.217 -1.855 13.360 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.372 -2.318 12.683 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.742 -2.515 15.394 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.122 -3.093 15.059 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.260 -0.921 14.772 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.841 -0.222 14.480 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.564 0.258 16.497 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.395 0.313 18.056 1.00 0.00 H new ATOM 174 N GLY A 16 -5.699 -4.786 12.545 1.00 0.00 N ATOM 175 CA GLY A 16 -5.973 -6.186 12.276 1.00 0.00 C ATOM 176 C GLY A 16 -4.717 -6.970 11.948 1.00 0.00 C ATOM 177 O GLY A 16 -3.609 -6.436 12.012 1.00 0.00 O ATOM 0 H GLY A 16 -4.756 -4.480 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.459 -6.631 13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.673 -6.263 11.444 1.00 0.00 H new ATOM 181 N PHE A 17 -4.889 -8.240 11.598 1.00 0.00 N ATOM 182 CA PHE A 17 -3.760 -9.100 11.262 1.00 0.00 C ATOM 183 C PHE A 17 -3.793 -9.490 9.787 1.00 0.00 C ATOM 184 O PHE A 17 -4.833 -9.892 9.263 1.00 0.00 O ATOM 185 CB PHE A 17 -3.771 -10.356 12.135 1.00 0.00 C ATOM 186 CG PHE A 17 -3.269 -10.121 13.531 1.00 0.00 C ATOM 187 CD1 PHE A 17 -1.958 -9.733 13.754 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.109 -10.289 14.620 1.00 0.00 C ATOM 189 CE1 PHE A 17 -1.494 -9.515 15.038 1.00 0.00 C ATOM 190 CE2 PHE A 17 -3.650 -10.073 15.906 1.00 0.00 C ATOM 191 CZ PHE A 17 -2.341 -9.687 16.115 1.00 0.00 C ATOM 0 H PHE A 17 -5.799 -8.697 11.540 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.842 -8.543 11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.788 -10.746 12.184 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.158 -11.123 11.662 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.291 -9.599 12.915 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.134 -10.592 14.462 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.470 -9.211 15.199 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.315 -10.206 16.747 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.980 -9.520 17.119 1.00 0.00 H new ATOM 201 N LEU A 18 -2.650 -9.369 9.123 1.00 0.00 N ATOM 202 CA LEU A 18 -2.547 -9.708 7.708 1.00 0.00 C ATOM 203 C LEU A 18 -1.465 -10.758 7.477 1.00 0.00 C ATOM 204 O LEU A 18 -0.554 -10.916 8.291 1.00 0.00 O ATOM 205 CB LEU A 18 -2.242 -8.456 6.884 1.00 0.00 C ATOM 206 CG LEU A 18 -3.439 -7.564 6.551 1.00 0.00 C ATOM 207 CD1 LEU A 18 -2.973 -6.255 5.935 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.398 -8.286 5.615 1.00 0.00 C ATOM 0 H LEU A 18 -1.781 -9.038 9.542 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.503 -10.122 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.509 -7.859 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.774 -8.765 5.950 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.969 -7.338 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.838 -5.633 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.327 -5.731 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.420 -6.461 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.244 -7.637 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.880 -8.543 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.758 -9.196 6.094 1.00 0.00 H new ATOM 220 N TYR A 19 -1.570 -11.473 6.363 1.00 0.00 N ATOM 221 CA TYR A 19 -0.600 -12.509 6.025 1.00 0.00 C ATOM 222 C TYR A 19 0.073 -12.209 4.689 1.00 0.00 C ATOM 223 O TYR A 19 -0.595 -11.937 3.690 1.00 0.00 O ATOM 224 CB TYR A 19 -1.282 -13.877 5.969 1.00 0.00 C ATOM 225 CG TYR A 19 -2.378 -14.049 6.997 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.079 -14.162 8.349 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.713 -14.098 6.615 1.00 0.00 C ATOM 228 CE1 TYR A 19 -3.077 -14.320 9.291 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.718 -14.255 7.550 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.395 -14.366 8.887 1.00 0.00 C ATOM 231 OH TYR A 19 -5.392 -14.522 9.822 1.00 0.00 O ATOM 0 H TYR A 19 -2.317 -11.355 5.678 1.00 0.00 H new ATOM 0 HA TYR A 19 0.164 -12.523 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.702 -14.024 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.532 -14.654 6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.048 -14.126 8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.969 -14.012 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.827 -14.407 10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.751 -14.291 7.236 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.263 -14.533 9.373 1.00 0.00 H new ATOM 241 N LEU A 20 1.401 -12.262 4.678 1.00 0.00 N ATOM 242 CA LEU A 20 2.167 -11.998 3.465 1.00 0.00 C ATOM 243 C LEU A 20 3.014 -13.207 3.082 1.00 0.00 C ATOM 244 O LEU A 20 3.955 -13.566 3.789 1.00 0.00 O ATOM 245 CB LEU A 20 3.064 -10.774 3.662 1.00 0.00 C ATOM 246 CG LEU A 20 4.262 -10.662 2.719 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.802 -10.663 1.269 1.00 0.00 C ATOM 248 CD2 LEU A 20 5.065 -9.406 3.024 1.00 0.00 C ATOM 0 H LEU A 20 1.969 -12.485 5.495 1.00 0.00 H new ATOM 0 HA LEU A 20 1.464 -11.800 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.453 -9.879 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.433 -10.780 4.687 1.00 0.00 H new ATOM 0 HG LEU A 20 4.905 -11.528 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.668 -10.583 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.271 -11.591 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.137 -9.816 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.914 -9.343 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.431 -8.529 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.426 -9.446 4.052 1.00 0.00 H new ATOM 260 N GLN A 21 2.674 -13.829 1.958 1.00 0.00 N ATOM 261 CA GLN A 21 3.404 -14.996 1.480 1.00 0.00 C ATOM 262 C GLN A 21 4.858 -14.645 1.181 1.00 0.00 C ATOM 263 O GLN A 21 5.140 -13.663 0.495 1.00 0.00 O ATOM 264 CB GLN A 21 2.737 -15.564 0.226 1.00 0.00 C ATOM 265 CG GLN A 21 3.014 -17.042 0.005 1.00 0.00 C ATOM 266 CD GLN A 21 2.349 -17.581 -1.246 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.489 -17.014 -2.330 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.619 -18.681 -1.102 1.00 0.00 N ATOM 0 H GLN A 21 1.897 -13.544 1.361 1.00 0.00 H new ATOM 0 HA GLN A 21 3.385 -15.750 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.660 -15.412 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.082 -15.004 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.090 -17.199 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.664 -17.606 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.530 -19.118 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.147 -19.089 -1.909 1.00 0.00 H new ATOM 413 N TRP A 30 2.838 -19.154 5.234 1.00 0.00 N ATOM 414 CA TRP A 30 2.205 -17.865 5.490 1.00 0.00 C ATOM 415 C TRP A 30 2.620 -17.315 6.851 1.00 0.00 C ATOM 416 O TRP A 30 2.471 -17.986 7.872 1.00 0.00 O ATOM 417 CB TRP A 30 0.683 -17.998 5.423 1.00 0.00 C ATOM 418 CG TRP A 30 0.150 -18.025 4.023 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.277 -19.122 3.329 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.011 -16.905 3.146 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.693 -18.751 2.073 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.542 -17.396 1.936 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.238 -15.536 3.264 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.824 -16.565 0.856 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.042 -14.712 2.191 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.569 -15.228 1.000 1.00 0.00 C ATOM 0 HA TRP A 30 2.536 -17.167 4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.382 -18.911 5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.229 -17.166 5.961 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.286 -20.132 3.711 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.056 -19.382 1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.643 -15.128 4.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.230 -16.961 -0.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.149 -13.652 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.778 -14.558 0.179 1.00 0.00 H new ATOM 437 N ARG A 31 3.141 -16.093 6.857 1.00 0.00 N ATOM 438 CA ARG A 31 3.578 -15.454 8.092 1.00 0.00 C ATOM 439 C ARG A 31 2.692 -14.259 8.430 1.00 0.00 C ATOM 440 O ARG A 31 2.248 -13.532 7.541 1.00 0.00 O ATOM 441 CB ARG A 31 5.035 -15.005 7.971 1.00 0.00 C ATOM 442 CG ARG A 31 6.039 -16.101 8.290 1.00 0.00 C ATOM 443 CD ARG A 31 7.412 -15.781 7.719 1.00 0.00 C ATOM 444 NE ARG A 31 8.007 -14.605 8.348 1.00 0.00 N ATOM 445 CZ ARG A 31 9.102 -14.004 7.897 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.718 -14.467 6.818 1.00 0.00 N ATOM 447 NH2 ARG A 31 9.582 -12.938 8.524 1.00 0.00 N ATOM 0 H ARG A 31 3.271 -15.525 6.020 1.00 0.00 H new ATOM 0 HA ARG A 31 3.496 -16.184 8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.212 -14.645 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.204 -14.163 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.113 -16.225 9.370 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.686 -17.049 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.071 -16.638 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.328 -15.614 6.645 1.00 0.00 H new ATOM 0 HE ARG A 31 7.556 -14.224 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.351 -15.286 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.559 -14.004 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.110 -12.579 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.423 -12.478 8.176 1.00 0.00 H new ATOM 461 N ARG A 32 2.439 -14.062 9.719 1.00 0.00 N ATOM 462 CA ARG A 32 1.605 -12.956 10.174 1.00 0.00 C ATOM 463 C ARG A 32 2.458 -11.742 10.531 1.00 0.00 C ATOM 464 O ARG A 32 3.627 -11.877 10.894 1.00 0.00 O ATOM 465 CB ARG A 32 0.773 -13.382 11.385 1.00 0.00 C ATOM 466 CG ARG A 32 -0.540 -14.054 11.017 1.00 0.00 C ATOM 467 CD ARG A 32 -1.279 -14.547 12.251 1.00 0.00 C ATOM 468 NE ARG A 32 -2.071 -15.742 11.974 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.702 -16.440 12.912 1.00 0.00 C ATOM 470 NH1 ARG A 32 -2.635 -16.062 14.181 1.00 0.00 N ATOM 471 NH2 ARG A 32 -3.403 -17.517 12.581 1.00 0.00 N ATOM 0 H ARG A 32 2.800 -14.654 10.467 1.00 0.00 H new ATOM 0 HA ARG A 32 0.935 -12.680 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.362 -14.065 11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.563 -12.505 11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.169 -13.351 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.346 -14.893 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.560 -14.764 13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.932 -13.757 12.622 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.144 -16.058 11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.098 -15.234 14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.120 -16.599 14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.458 -17.810 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.887 -18.052 13.302 1.00 0.00 H new ATOM 485 N PHE A 33 1.866 -10.557 10.424 1.00 0.00 N ATOM 486 CA PHE A 33 2.572 -9.320 10.733 1.00 0.00 C ATOM 487 C PHE A 33 1.592 -8.218 11.126 1.00 0.00 C ATOM 488 O PHE A 33 0.827 -7.728 10.297 1.00 0.00 O ATOM 489 CB PHE A 33 3.407 -8.870 9.533 1.00 0.00 C ATOM 490 CG PHE A 33 4.431 -9.881 9.103 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.451 -10.262 9.960 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.375 -10.451 7.841 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.395 -11.192 9.568 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.315 -11.382 7.443 1.00 0.00 C ATOM 495 CZ PHE A 33 6.328 -11.752 8.307 1.00 0.00 C ATOM 0 H PHE A 33 0.899 -10.428 10.126 1.00 0.00 H new ATOM 0 HA PHE A 33 3.235 -9.511 11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.742 -8.660 8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.912 -7.936 9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.509 -9.827 10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.587 -10.164 7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.184 -11.481 10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.258 -11.820 6.458 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.066 -12.477 7.997 1.00 0.00 H new ATOM 505 N GLY A 34 1.621 -7.834 12.399 1.00 0.00 N ATOM 506 CA GLY A 34 0.731 -6.794 12.881 1.00 0.00 C ATOM 507 C GLY A 34 0.465 -5.728 11.836 1.00 0.00 C ATOM 508 O GLY A 34 1.373 -4.999 11.440 1.00 0.00 O ATOM 0 H GLY A 34 2.245 -8.225 13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.214 -7.242 13.187 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.165 -6.330 13.767 1.00 0.00 H new ATOM 512 N ALA A 35 -0.783 -5.639 11.388 1.00 0.00 N ATOM 513 CA ALA A 35 -1.165 -4.655 10.383 1.00 0.00 C ATOM 514 C ALA A 35 -1.952 -3.508 11.009 1.00 0.00 C ATOM 515 O ALA A 35 -2.892 -3.732 11.772 1.00 0.00 O ATOM 516 CB ALA A 35 -1.978 -5.315 9.280 1.00 0.00 C ATOM 0 H ALA A 35 -1.546 -6.236 11.705 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.254 -4.242 9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.256 -4.568 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.382 -6.095 8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.879 -5.756 9.706 1.00 0.00 H new ATOM 522 N SER A 36 -1.561 -2.281 10.682 1.00 0.00 N ATOM 523 CA SER A 36 -2.228 -1.099 11.217 1.00 0.00 C ATOM 524 C SER A 36 -2.542 -0.103 10.105 1.00 0.00 C ATOM 525 O SER A 36 -1.651 0.330 9.373 1.00 0.00 O ATOM 526 CB SER A 36 -1.355 -0.433 12.282 1.00 0.00 C ATOM 527 OG SER A 36 -1.313 -1.210 13.466 1.00 0.00 O ATOM 0 H SER A 36 -0.787 -2.079 10.050 1.00 0.00 H new ATOM 0 HA SER A 36 -3.166 -1.416 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.345 -0.298 11.896 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.745 0.559 12.508 1.00 0.00 H new ATOM 0 HG SER A 36 -0.747 -0.764 14.130 1.00 0.00 H new ATOM 533 N LEU A 37 -3.815 0.257 9.984 1.00 0.00 N ATOM 534 CA LEU A 37 -4.249 1.202 8.961 1.00 0.00 C ATOM 535 C LEU A 37 -4.262 2.627 9.506 1.00 0.00 C ATOM 536 O LEU A 37 -5.017 2.943 10.426 1.00 0.00 O ATOM 537 CB LEU A 37 -5.641 0.827 8.449 1.00 0.00 C ATOM 538 CG LEU A 37 -6.082 1.499 7.148 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.153 1.114 6.007 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.520 1.128 6.817 1.00 0.00 C ATOM 0 H LEU A 37 -4.565 -0.091 10.582 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.540 1.155 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.675 -0.253 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.368 1.069 9.224 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.029 2.579 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.482 1.601 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.137 1.431 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.173 0.033 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.817 1.615 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.599 0.047 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.175 1.456 7.624 1.00 0.00 H new ATOM 552 N TYR A 38 -3.424 3.482 8.933 1.00 0.00 N ATOM 553 CA TYR A 38 -3.338 4.873 9.361 1.00 0.00 C ATOM 554 C TYR A 38 -3.795 5.814 8.251 1.00 0.00 C ATOM 555 O TYR A 38 -3.670 5.504 7.067 1.00 0.00 O ATOM 556 CB TYR A 38 -1.906 5.214 9.777 1.00 0.00 C ATOM 557 CG TYR A 38 -1.413 4.415 10.962 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.804 4.741 12.255 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.556 3.335 10.790 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.356 4.015 13.341 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.104 2.602 11.870 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.507 2.946 13.144 1.00 0.00 C ATOM 563 OH TYR A 38 -0.058 2.220 14.223 1.00 0.00 O ATOM 0 H TYR A 38 -2.793 3.236 8.170 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.999 5.004 10.218 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.240 5.042 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.849 6.276 10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.470 5.577 12.413 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.238 3.064 9.794 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.669 4.283 14.339 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.561 1.765 11.718 1.00 0.00 H new ATOM 0 HH TYR A 38 0.530 1.501 13.911 1.00 0.00 H new ATOM 573 N GLY A 39 -4.326 6.968 8.643 1.00 0.00 N ATOM 574 CA GLY A 39 -4.794 7.939 7.671 1.00 0.00 C ATOM 575 C GLY A 39 -6.022 8.690 8.145 1.00 0.00 C ATOM 576 O GLY A 39 -6.219 8.877 9.346 1.00 0.00 O ATOM 0 H GLY A 39 -4.441 7.248 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.996 8.651 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.023 7.430 6.735 1.00 0.00 H new ATOM 650 N ALA A 46 -2.162 8.832 4.991 1.00 0.00 N ATOM 651 CA ALA A 46 -2.428 7.423 5.252 1.00 0.00 C ATOM 652 C ALA A 46 -1.239 6.556 4.851 1.00 0.00 C ATOM 653 O ALA A 46 -0.495 6.894 3.930 1.00 0.00 O ATOM 654 CB ALA A 46 -3.682 6.977 4.513 1.00 0.00 C ATOM 0 HA ALA A 46 -2.588 7.301 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.869 5.923 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.533 7.568 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.543 7.120 3.441 1.00 0.00 H new ATOM 660 N ARG A 47 -1.066 5.438 5.548 1.00 0.00 N ATOM 661 CA ARG A 47 0.034 4.524 5.266 1.00 0.00 C ATOM 662 C ARG A 47 -0.160 3.198 5.994 1.00 0.00 C ATOM 663 O ARG A 47 -0.730 3.154 7.086 1.00 0.00 O ATOM 664 CB ARG A 47 1.366 5.154 5.677 1.00 0.00 C ATOM 665 CG ARG A 47 1.424 5.556 7.141 1.00 0.00 C ATOM 666 CD ARG A 47 2.725 6.270 7.472 1.00 0.00 C ATOM 667 NE ARG A 47 2.769 7.617 6.909 1.00 0.00 N ATOM 668 CZ ARG A 47 2.045 8.630 7.370 1.00 0.00 C ATOM 669 NH1 ARG A 47 1.225 8.450 8.397 1.00 0.00 N ATOM 670 NH2 ARG A 47 2.140 9.827 6.805 1.00 0.00 N ATOM 0 H ARG A 47 -1.674 5.143 6.312 1.00 0.00 H new ATOM 0 HA ARG A 47 0.047 4.331 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.171 4.448 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.548 6.034 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.581 6.207 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.325 4.669 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.843 6.325 8.554 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.565 5.690 7.089 1.00 0.00 H new ATOM 0 HE ARG A 47 3.390 7.789 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.150 7.532 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.670 9.230 8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.770 9.970 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.583 10.604 7.160 1.00 0.00 H new ATOM 684 N LEU A 48 0.316 2.118 5.384 1.00 0.00 N ATOM 685 CA LEU A 48 0.195 0.790 5.974 1.00 0.00 C ATOM 686 C LEU A 48 1.500 0.370 6.643 1.00 0.00 C ATOM 687 O LEU A 48 2.523 0.207 5.980 1.00 0.00 O ATOM 688 CB LEU A 48 -0.195 -0.231 4.904 1.00 0.00 C ATOM 689 CG LEU A 48 -1.026 -1.422 5.384 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.381 -0.957 5.894 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.197 -2.439 4.264 1.00 0.00 C ATOM 0 H LEU A 48 0.789 2.136 4.481 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.585 0.827 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.754 0.286 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.717 -0.612 4.444 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.496 -1.902 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.958 -1.818 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.239 -0.267 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.918 -0.452 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.791 -3.280 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.705 -1.970 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.218 -2.796 3.945 1.00 0.00 H new ATOM 703 N GLU A 49 1.454 0.194 7.960 1.00 0.00 N ATOM 704 CA GLU A 49 2.633 -0.209 8.718 1.00 0.00 C ATOM 705 C GLU A 49 2.601 -1.704 9.019 1.00 0.00 C ATOM 706 O GLU A 49 1.546 -2.268 9.312 1.00 0.00 O ATOM 707 CB GLU A 49 2.723 0.584 10.023 1.00 0.00 C ATOM 708 CG GLU A 49 2.979 2.067 9.818 1.00 0.00 C ATOM 709 CD GLU A 49 3.701 2.702 10.991 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.197 2.591 12.128 1.00 0.00 O ATOM 711 OE2 GLU A 49 4.769 3.311 10.772 1.00 0.00 O ATOM 0 H GLU A 49 0.614 0.324 8.524 1.00 0.00 H new ATOM 0 HA GLU A 49 3.514 0.003 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.794 0.458 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.522 0.168 10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.570 2.208 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.029 2.578 9.661 1.00 0.00 H new ATOM 718 N LEU A 50 3.765 -2.342 8.944 1.00 0.00 N ATOM 719 CA LEU A 50 3.872 -3.772 9.208 1.00 0.00 C ATOM 720 C LEU A 50 4.855 -4.045 10.342 1.00 0.00 C ATOM 721 O LEU A 50 5.848 -3.335 10.499 1.00 0.00 O ATOM 722 CB LEU A 50 4.315 -4.512 7.945 1.00 0.00 C ATOM 723 CG LEU A 50 3.251 -4.687 6.861 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.852 -5.332 5.622 1.00 0.00 C ATOM 725 CD2 LEU A 50 2.087 -5.516 7.385 1.00 0.00 C ATOM 0 H LEU A 50 4.647 -1.891 8.702 1.00 0.00 H new ATOM 0 HA LEU A 50 2.889 -4.135 9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.161 -3.977 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.676 -5.499 8.234 1.00 0.00 H new ATOM 0 HG LEU A 50 2.875 -3.702 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.080 -5.448 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.651 -4.700 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.257 -6.310 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.339 -5.630 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.448 -6.499 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.639 -5.013 8.242 1.00 0.00 H new ATOM 737 N GLN A 51 4.571 -5.078 11.129 1.00 0.00 N ATOM 738 CA GLN A 51 5.432 -5.445 12.247 1.00 0.00 C ATOM 739 C GLN A 51 6.033 -6.831 12.040 1.00 0.00 C ATOM 740 O GLN A 51 5.311 -7.808 11.844 1.00 0.00 O ATOM 741 CB GLN A 51 4.644 -5.409 13.558 1.00 0.00 C ATOM 742 CG GLN A 51 4.584 -4.029 14.194 1.00 0.00 C ATOM 743 CD GLN A 51 3.331 -3.822 15.022 1.00 0.00 C ATOM 744 OE1 GLN A 51 3.373 -3.865 16.252 1.00 0.00 O ATOM 745 NE2 GLN A 51 2.208 -3.597 14.351 1.00 0.00 N ATOM 0 H GLN A 51 3.752 -5.675 11.013 1.00 0.00 H new ATOM 0 HA GLN A 51 6.245 -4.721 12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.629 -5.759 13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.097 -6.106 14.264 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.460 -3.886 14.826 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.628 -3.271 13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.220 -3.570 13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.333 -3.451 14.855 1.00 0.00 H new ATOM 959 N LYS A 65 8.768 -2.024 7.954 1.00 0.00 N ATOM 960 CA LYS A 65 8.324 -2.013 6.565 1.00 0.00 C ATOM 961 C LYS A 65 6.954 -1.355 6.437 1.00 0.00 C ATOM 962 O LYS A 65 5.973 -1.823 7.016 1.00 0.00 O ATOM 963 CB LYS A 65 8.271 -3.439 6.014 1.00 0.00 C ATOM 964 CG LYS A 65 9.636 -4.013 5.676 1.00 0.00 C ATOM 965 CD LYS A 65 9.542 -5.078 4.597 1.00 0.00 C ATOM 966 CE LYS A 65 9.103 -6.417 5.171 1.00 0.00 C ATOM 967 NZ LYS A 65 10.134 -6.997 6.075 1.00 0.00 N ATOM 0 HA LYS A 65 9.041 -1.433 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.786 -4.084 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.650 -3.450 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.296 -3.212 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.084 -4.441 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.835 -4.760 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.511 -5.190 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.170 -6.289 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.901 -7.113 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.993 -8.025 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.081 -6.804 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.049 -6.568 7.019 1.00 0.00 H new ATOM 981 N VAL A 66 6.893 -0.269 5.674 1.00 0.00 N ATOM 982 CA VAL A 66 5.642 0.452 5.468 1.00 0.00 C ATOM 983 C VAL A 66 5.309 0.561 3.984 1.00 0.00 C ATOM 984 O VAL A 66 6.160 0.924 3.171 1.00 0.00 O ATOM 985 CB VAL A 66 5.703 1.866 6.074 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.747 2.710 5.359 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.335 2.530 6.014 1.00 0.00 C ATOM 0 H VAL A 66 7.695 0.131 5.188 1.00 0.00 H new ATOM 0 HA VAL A 66 4.861 -0.118 5.972 1.00 0.00 H new ATOM 0 HB VAL A 66 5.995 1.782 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.775 3.706 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.726 2.240 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.489 2.790 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.396 3.529 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.011 2.603 4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.616 1.934 6.577 1.00 0.00 H new ATOM 997 N ILE A 67 4.066 0.245 3.638 1.00 0.00 N ATOM 998 CA ILE A 67 3.620 0.309 2.251 1.00 0.00 C ATOM 999 C ILE A 67 2.541 1.372 2.070 1.00 0.00 C ATOM 1000 O ILE A 67 1.357 1.113 2.285 1.00 0.00 O ATOM 1001 CB ILE A 67 3.072 -1.048 1.773 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.165 -2.117 1.841 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.527 -0.930 0.357 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.627 -3.526 1.953 1.00 0.00 C ATOM 0 H ILE A 67 3.350 -0.058 4.298 1.00 0.00 H new ATOM 0 HA ILE A 67 4.491 0.572 1.651 1.00 0.00 H new ATOM 0 HB ILE A 67 2.257 -1.346 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.788 -2.045 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.808 -1.913 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.143 -1.897 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.722 -0.195 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.325 -0.613 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.458 -4.230 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.027 -3.616 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.007 -3.749 1.084 1.00 0.00 H new ATOM 1016 N ARG A 68 2.959 2.569 1.670 1.00 0.00 N ATOM 1017 CA ARG A 68 2.029 3.672 1.459 1.00 0.00 C ATOM 1018 C ARG A 68 0.915 3.266 0.499 1.00 0.00 C ATOM 1019 O ARG A 68 1.169 2.673 -0.550 1.00 0.00 O ATOM 1020 CB ARG A 68 2.770 4.893 0.910 1.00 0.00 C ATOM 1021 CG ARG A 68 3.810 5.454 1.865 1.00 0.00 C ATOM 1022 CD ARG A 68 4.218 6.867 1.478 1.00 0.00 C ATOM 1023 NE ARG A 68 5.271 6.874 0.466 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.009 7.941 0.181 1.00 0.00 C ATOM 1025 NH1 ARG A 68 5.811 9.081 0.829 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.948 7.870 -0.753 1.00 0.00 N ATOM 0 H ARG A 68 3.935 2.799 1.486 1.00 0.00 H new ATOM 0 HA ARG A 68 1.583 3.928 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.258 4.621 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.045 5.673 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.411 5.454 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.688 4.809 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.348 7.405 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.563 7.400 2.364 1.00 0.00 H new ATOM 0 HE ARG A 68 5.449 6.012 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.090 9.140 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.379 9.899 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.104 6.995 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.514 8.690 -0.971 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.321 3.589 0.866 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.476 3.258 0.038 1.00 0.00 C ATOM 1042 C LEU A 69 -1.459 4.053 -1.263 1.00 0.00 C ATOM 1043 O LEU A 69 -1.858 3.551 -2.314 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.772 3.535 0.802 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.031 2.656 2.025 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.347 3.036 2.686 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.033 1.185 1.634 1.00 0.00 C ATOM 0 H LEU A 69 -0.549 4.079 1.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.425 2.197 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.765 4.577 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.608 3.419 0.113 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.227 2.819 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.515 2.400 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.308 4.079 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.163 2.903 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.219 0.574 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.816 1.005 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.066 0.921 1.207 1.00 0.00 H new ATOM 1059 N SER A 70 -0.992 5.295 -1.186 1.00 0.00 N ATOM 1060 CA SER A 70 -0.924 6.161 -2.357 1.00 0.00 C ATOM 1061 C SER A 70 -0.109 5.507 -3.469 1.00 0.00 C ATOM 1062 O SER A 70 -0.239 5.863 -4.641 1.00 0.00 O ATOM 1063 CB SER A 70 -0.309 7.511 -1.985 1.00 0.00 C ATOM 1064 OG SER A 70 0.019 8.259 -3.143 1.00 0.00 O ATOM 0 H SER A 70 -0.655 5.724 -0.324 1.00 0.00 H new ATOM 0 HA SER A 70 -1.939 6.321 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.009 8.076 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.587 7.353 -1.385 1.00 0.00 H new ATOM 0 HG SER A 70 0.409 9.118 -2.878 1.00 0.00 H new ATOM 1070 N ASP A 71 0.731 4.549 -3.094 1.00 0.00 N ATOM 1071 CA ASP A 71 1.567 3.844 -4.058 1.00 0.00 C ATOM 1072 C ASP A 71 0.806 2.682 -4.690 1.00 0.00 C ATOM 1073 O ASP A 71 0.983 2.380 -5.871 1.00 0.00 O ATOM 1074 CB ASP A 71 2.839 3.329 -3.382 1.00 0.00 C ATOM 1075 CG ASP A 71 3.685 2.481 -4.311 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.125 1.576 -4.965 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.908 2.723 -4.385 1.00 0.00 O ATOM 0 H ASP A 71 0.851 4.243 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 71 1.842 4.546 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.428 4.176 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.568 2.742 -2.504 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.040 2.034 -3.896 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.826 0.904 -4.377 1.00 0.00 C ATOM 1084 C CYS A 72 -1.432 1.205 -5.744 1.00 0.00 C ATOM 1085 O CYS A 72 -2.529 1.756 -5.841 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.934 0.565 -3.379 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.345 -0.217 -1.859 1.00 0.00 S ATOM 0 H CYS A 72 -0.199 2.272 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.160 0.047 -4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.468 1.480 -3.121 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.652 -0.098 -3.861 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.030 -1.299 -1.634 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.709 0.843 -6.798 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.174 1.076 -8.161 1.00 0.00 C ATOM 1095 C LEU A 73 -2.625 0.635 -8.324 1.00 0.00 C ATOM 1096 O LEU A 73 -3.486 1.428 -8.707 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.287 0.328 -9.158 1.00 0.00 C ATOM 1098 CG LEU A 73 1.175 0.772 -9.219 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.015 -0.259 -9.958 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.292 2.135 -9.886 1.00 0.00 C ATOM 0 H LEU A 73 0.201 0.387 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.114 2.146 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.314 -0.734 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.721 0.436 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 73 1.552 0.856 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.052 0.074 -9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.957 -1.215 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.638 -0.375 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.339 2.435 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.897 2.079 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.723 2.869 -9.316 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.889 -0.634 -8.030 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.236 -1.180 -8.143 1.00 0.00 C ATOM 1114 C ARG A 74 -4.439 -2.334 -7.167 1.00 0.00 C ATOM 1115 O ARG A 74 -3.476 -2.932 -6.687 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.498 -1.656 -9.574 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.120 -0.593 -10.465 1.00 0.00 C ATOM 1118 CD ARG A 74 -4.695 -0.764 -11.915 1.00 0.00 C ATOM 1119 NE ARG A 74 -3.385 -0.173 -12.174 1.00 0.00 N ATOM 1120 CZ ARG A 74 -2.709 -0.351 -13.303 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -3.216 -1.100 -14.273 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -1.522 0.220 -13.465 1.00 0.00 N ATOM 0 H ARG A 74 -2.188 -1.303 -7.712 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.943 -0.389 -7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.558 -1.984 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.157 -2.524 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.206 -0.647 -10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.827 0.396 -10.113 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.669 -1.825 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.436 -0.302 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.966 0.408 -11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.128 -1.541 -14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.694 -1.235 -15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.128 0.797 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.004 0.082 -14.333 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.699 -2.643 -6.876 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.029 -3.726 -5.957 1.00 0.00 C ATOM 1138 C VAL A 75 -7.255 -4.496 -6.433 1.00 0.00 C ATOM 1139 O VAL A 75 -8.045 -3.993 -7.232 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.289 -3.195 -4.535 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.090 -2.406 -4.031 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.548 -2.342 -4.507 1.00 0.00 C ATOM 0 H VAL A 75 -6.508 -2.158 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.169 -4.396 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.439 -4.046 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.293 -2.039 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.212 -3.051 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.905 -1.561 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.716 -1.975 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.430 -1.496 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.401 -2.942 -4.822 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.409 -5.718 -5.935 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.542 -6.558 -6.307 1.00 0.00 C ATOM 1154 C ALA A 76 -8.916 -7.508 -5.174 1.00 0.00 C ATOM 1155 O ALA A 76 -8.184 -7.638 -4.194 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.225 -7.341 -7.572 1.00 0.00 C ATOM 0 H ALA A 76 -6.764 -6.149 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.397 -5.909 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.079 -7.964 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.014 -6.647 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.354 -7.974 -7.400 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.061 -8.168 -5.317 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.533 -9.105 -4.303 1.00 0.00 C ATOM 1164 C GLU A 77 -10.265 -10.546 -4.728 1.00 0.00 C ATOM 1165 O GLU A 77 -10.602 -10.949 -5.841 1.00 0.00 O ATOM 1166 CB GLU A 77 -12.028 -8.906 -4.050 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.333 -7.835 -3.016 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.672 -7.162 -3.250 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -13.871 -6.606 -4.351 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.520 -7.191 -2.334 1.00 0.00 O ATOM 0 H GLU A 77 -10.678 -8.072 -6.123 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.987 -8.909 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.515 -8.642 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.461 -9.851 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.324 -8.282 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.544 -7.083 -3.034 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.656 -11.317 -3.833 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.343 -12.713 -4.113 1.00 0.00 C ATOM 1179 C ALA A 78 -9.782 -13.615 -2.965 1.00 0.00 C ATOM 1180 O ALA A 78 -10.382 -13.154 -1.995 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.854 -12.877 -4.378 1.00 0.00 C ATOM 0 H ALA A 78 -9.369 -10.998 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.894 -13.012 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.635 -13.924 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.568 -12.269 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.291 -12.555 -3.502 1.00 0.00 H new ATOM 1286 N ASP A 87 -12.218 -20.663 4.564 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.932 -19.664 5.352 1.00 0.00 C ATOM 1288 C ASP A 87 -12.157 -18.351 5.395 1.00 0.00 C ATOM 1289 O ASP A 87 -12.137 -17.662 6.416 1.00 0.00 O ATOM 1290 CB ASP A 87 -13.168 -20.179 6.773 1.00 0.00 C ATOM 1291 CG ASP A 87 -14.318 -19.470 7.461 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -15.475 -19.664 7.034 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -14.061 -18.720 8.426 1.00 0.00 O ATOM 0 HA ASP A 87 -13.895 -19.481 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.372 -21.249 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.259 -20.046 7.360 1.00 0.00 H new ATOM 1298 N THR A 88 -11.516 -18.010 4.281 1.00 0.00 N ATOM 1299 CA THR A 88 -10.738 -16.781 4.192 1.00 0.00 C ATOM 1300 C THR A 88 -10.887 -16.134 2.820 1.00 0.00 C ATOM 1301 O THR A 88 -11.466 -16.720 1.906 1.00 0.00 O ATOM 1302 CB THR A 88 -9.244 -17.041 4.466 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.826 -18.239 3.801 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.981 -17.166 5.959 1.00 0.00 C ATOM 0 H THR A 88 -11.521 -18.569 3.428 1.00 0.00 H new ATOM 0 HA THR A 88 -11.127 -16.105 4.953 1.00 0.00 H new ATOM 0 HB THR A 88 -8.674 -16.195 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.875 -18.397 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.920 -17.349 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.274 -16.242 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.561 -17.996 6.362 1.00 0.00 H new ATOM 1312 N SER A 89 -10.359 -14.922 2.683 1.00 0.00 N ATOM 1313 CA SER A 89 -10.436 -14.193 1.422 1.00 0.00 C ATOM 1314 C SER A 89 -9.206 -13.311 1.229 1.00 0.00 C ATOM 1315 O SER A 89 -9.073 -12.265 1.864 1.00 0.00 O ATOM 1316 CB SER A 89 -11.703 -13.338 1.380 1.00 0.00 C ATOM 1317 OG SER A 89 -12.864 -14.139 1.513 1.00 0.00 O ATOM 0 H SER A 89 -9.873 -14.424 3.429 1.00 0.00 H new ATOM 0 HA SER A 89 -10.471 -14.920 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.674 -12.599 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.743 -12.788 0.440 1.00 0.00 H new ATOM 0 HG SER A 89 -13.660 -13.568 1.485 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.310 -13.740 0.346 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.093 -12.990 0.066 1.00 0.00 C ATOM 1325 C ALA A 90 -7.358 -11.862 -0.925 1.00 0.00 C ATOM 1326 O ALA A 90 -8.249 -11.961 -1.770 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.010 -13.918 -0.465 1.00 0.00 C ATOM 0 H ALA A 90 -8.405 -14.604 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.749 -12.545 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.107 -13.343 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.792 -14.685 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.355 -14.391 -1.384 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.581 -10.789 -0.816 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.734 -9.641 -1.702 1.00 0.00 C ATOM 1335 C PHE A 91 -5.448 -9.379 -2.479 1.00 0.00 C ATOM 1336 O PHE A 91 -4.376 -9.859 -2.108 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.121 -8.398 -0.899 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.060 -7.954 0.067 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.853 -8.641 1.252 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.269 -6.851 -0.211 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.878 -8.235 2.143 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.292 -6.440 0.677 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.096 -7.134 1.855 1.00 0.00 C ATOM 0 H PHE A 91 -5.839 -10.691 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.528 -9.866 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.337 -7.582 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.040 -8.602 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.461 -9.504 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.417 -6.306 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.728 -8.778 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.683 -5.578 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.333 -6.816 2.550 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.562 -8.614 -3.560 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.409 -8.289 -4.392 1.00 0.00 C ATOM 1355 C PHE A 92 -3.834 -6.926 -4.015 1.00 0.00 C ATOM 1356 O PHE A 92 -4.508 -6.106 -3.390 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.801 -8.298 -5.871 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.756 -9.664 -6.494 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.568 -10.175 -6.989 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.903 -10.436 -6.585 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.525 -11.431 -7.564 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.866 -11.693 -7.158 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.675 -12.192 -7.647 1.00 0.00 C ATOM 0 H PHE A 92 -6.441 -8.208 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.644 -9.047 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.808 -7.893 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.133 -7.635 -6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.665 -9.586 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.837 -10.051 -6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.593 -11.817 -7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.767 -12.284 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.643 -13.175 -8.093 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.583 -6.692 -4.397 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.916 -5.430 -4.099 1.00 0.00 C ATOM 1375 C LEU A 93 -0.730 -5.208 -5.032 1.00 0.00 C ATOM 1376 O LEU A 93 0.282 -5.903 -4.941 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.445 -5.410 -2.644 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.356 -4.032 -1.987 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.789 -4.148 -0.580 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.508 -3.092 -2.830 1.00 0.00 C ATOM 0 H LEU A 93 -2.011 -7.360 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.633 -4.623 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.123 -6.028 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.462 -5.878 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.362 -3.618 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.733 -3.158 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.437 -4.786 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.209 -4.584 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.456 -2.116 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.497 -3.501 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.957 -2.984 -3.818 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.861 -4.234 -5.928 1.00 0.00 N ATOM 1393 CA GLU A 94 0.201 -3.920 -6.876 1.00 0.00 C ATOM 1394 C GLU A 94 0.839 -2.573 -6.552 1.00 0.00 C ATOM 1395 O GLU A 94 0.148 -1.565 -6.399 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.348 -3.907 -8.304 1.00 0.00 C ATOM 1397 CG GLU A 94 0.708 -4.172 -9.364 1.00 0.00 C ATOM 1398 CD GLU A 94 0.200 -3.918 -10.770 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.735 -4.625 -11.201 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.737 -3.011 -11.440 1.00 0.00 O ATOM 0 H GLU A 94 -1.692 -3.649 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 94 0.966 -4.693 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.133 -4.658 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.811 -2.939 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.574 -3.538 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.046 -5.205 -9.285 1.00 0.00 H new ATOM 1407 N THR A 95 2.165 -2.562 -6.447 1.00 0.00 N ATOM 1408 CA THR A 95 2.897 -1.341 -6.139 1.00 0.00 C ATOM 1409 C THR A 95 4.033 -1.116 -7.130 1.00 0.00 C ATOM 1410 O THR A 95 4.593 -2.068 -7.676 1.00 0.00 O ATOM 1411 CB THR A 95 3.476 -1.377 -4.712 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.444 -2.427 -4.603 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.374 -1.589 -3.686 1.00 0.00 C ATOM 0 H THR A 95 2.753 -3.386 -6.571 1.00 0.00 H new ATOM 0 HA THR A 95 2.185 -0.519 -6.214 1.00 0.00 H new ATOM 0 HB THR A 95 3.956 -0.418 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.249 -3.122 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.807 -1.611 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.654 -0.773 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.870 -2.535 -3.884 1.00 0.00 H new ATOM 1421 N LYS A 96 4.371 0.148 -7.360 1.00 0.00 N ATOM 1422 CA LYS A 96 5.442 0.499 -8.285 1.00 0.00 C ATOM 1423 C LYS A 96 6.592 -0.498 -8.188 1.00 0.00 C ATOM 1424 O LYS A 96 7.135 -0.933 -9.204 1.00 0.00 O ATOM 1425 CB LYS A 96 5.953 1.912 -7.994 1.00 0.00 C ATOM 1426 CG LYS A 96 4.893 2.988 -8.159 1.00 0.00 C ATOM 1427 CD LYS A 96 5.505 4.312 -8.585 1.00 0.00 C ATOM 1428 CE LYS A 96 5.698 4.377 -10.093 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.403 4.525 -10.812 1.00 0.00 N ATOM 0 H LYS A 96 3.918 0.948 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 96 5.039 0.466 -9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.339 1.947 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.788 2.131 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.161 2.669 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.357 3.119 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.862 5.131 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.466 4.447 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.348 5.216 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.201 3.472 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.582 4.834 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.906 3.612 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.815 5.233 -10.327 1.00 0.00 H new ATOM 1443 N GLU A 97 6.957 -0.857 -6.961 1.00 0.00 N ATOM 1444 CA GLU A 97 8.043 -1.804 -6.734 1.00 0.00 C ATOM 1445 C GLU A 97 7.739 -3.148 -7.392 1.00 0.00 C ATOM 1446 O GLU A 97 8.386 -3.534 -8.366 1.00 0.00 O ATOM 1447 CB GLU A 97 8.274 -1.999 -5.234 1.00 0.00 C ATOM 1448 CG GLU A 97 8.824 -0.765 -4.538 1.00 0.00 C ATOM 1449 CD GLU A 97 10.335 -0.671 -4.626 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.989 -1.727 -4.754 1.00 0.00 O ATOM 1451 OE2 GLU A 97 10.863 0.459 -4.566 1.00 0.00 O ATOM 0 H GLU A 97 6.517 -0.507 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 97 8.948 -1.395 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.332 -2.282 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.966 -2.828 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.382 0.126 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.525 -0.780 -3.490 1.00 0.00 H new ATOM 1458 N ARG A 98 6.752 -3.854 -6.852 1.00 0.00 N ATOM 1459 CA ARG A 98 6.363 -5.155 -7.384 1.00 0.00 C ATOM 1460 C ARG A 98 4.954 -5.527 -6.934 1.00 0.00 C ATOM 1461 O ARG A 98 4.276 -4.744 -6.267 1.00 0.00 O ATOM 1462 CB ARG A 98 7.355 -6.230 -6.935 1.00 0.00 C ATOM 1463 CG ARG A 98 7.261 -6.565 -5.456 1.00 0.00 C ATOM 1464 CD ARG A 98 8.339 -7.554 -5.039 1.00 0.00 C ATOM 1465 NE ARG A 98 9.653 -6.924 -4.946 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.650 -7.408 -4.214 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.483 -8.522 -3.515 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.817 -6.778 -4.180 1.00 0.00 N ATOM 0 H ARG A 98 6.207 -3.548 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 98 6.373 -5.093 -8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.183 -7.136 -7.516 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.368 -5.895 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.356 -5.652 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.278 -6.983 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.077 -7.991 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.379 -8.372 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 98 9.814 -6.065 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.587 -9.009 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.250 -8.892 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.950 -5.921 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.582 -7.151 -3.617 1.00 0.00 H new ATOM 1482 N LEU A 99 4.518 -6.727 -7.303 1.00 0.00 N ATOM 1483 CA LEU A 99 3.189 -7.204 -6.938 1.00 0.00 C ATOM 1484 C LEU A 99 3.245 -8.061 -5.678 1.00 0.00 C ATOM 1485 O LEU A 99 4.008 -9.025 -5.603 1.00 0.00 O ATOM 1486 CB LEU A 99 2.580 -8.008 -8.088 1.00 0.00 C ATOM 1487 CG LEU A 99 1.204 -8.620 -7.825 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.158 -7.530 -7.657 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.816 -9.566 -8.953 1.00 0.00 C ATOM 0 H LEU A 99 5.066 -7.387 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 99 2.561 -6.336 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.506 -7.358 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.269 -8.812 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 99 1.254 -9.193 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.815 -7.985 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.428 -6.893 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.110 -6.929 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.166 -9.992 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.785 -9.017 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.551 -10.367 -9.025 1.00 0.00 H new ATOM 1501 N TYR A 100 2.431 -7.705 -4.690 1.00 0.00 N ATOM 1502 CA TYR A 100 2.388 -8.442 -3.432 1.00 0.00 C ATOM 1503 C TYR A 100 1.050 -9.153 -3.263 1.00 0.00 C ATOM 1504 O TYR A 100 0.004 -8.638 -3.662 1.00 0.00 O ATOM 1505 CB TYR A 100 2.628 -7.495 -2.255 1.00 0.00 C ATOM 1506 CG TYR A 100 4.009 -6.880 -2.243 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.126 -7.638 -1.913 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.197 -5.541 -2.564 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.389 -7.080 -1.901 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.457 -4.975 -2.556 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.550 -5.748 -2.223 1.00 0.00 C ATOM 1512 OH TYR A 100 7.807 -5.189 -2.213 1.00 0.00 O ATOM 0 H TYR A 100 1.792 -6.911 -4.736 1.00 0.00 H new ATOM 0 HA TYR A 100 3.177 -9.193 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.885 -6.698 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.474 -8.040 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.004 -8.681 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.343 -4.933 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.246 -7.683 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.586 -3.933 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 100 7.747 -4.244 -2.464 1.00 0.00 H new ATOM 1522 N LEU A 101 1.089 -10.341 -2.668 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.120 -11.125 -2.444 1.00 0.00 C ATOM 1524 C LEU A 101 -0.285 -11.461 -0.966 1.00 0.00 C ATOM 1525 O LEU A 101 0.480 -12.248 -0.408 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.077 -12.412 -3.270 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.336 -13.279 -3.228 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.515 -12.538 -3.838 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.100 -14.598 -3.950 1.00 0.00 C ATOM 0 H LEU A 101 1.945 -10.782 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.975 -10.527 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.123 -12.147 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.765 -13.013 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.570 -13.496 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.402 -13.171 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.698 -11.621 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.291 -12.290 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.006 -15.202 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.840 -14.402 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.284 -15.136 -3.467 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.290 -10.861 -0.337 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.557 -11.098 1.078 1.00 0.00 C ATOM 1543 C LEU A 102 -2.919 -11.759 1.271 1.00 0.00 C ATOM 1544 O LEU A 102 -3.776 -11.706 0.389 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.502 -9.782 1.855 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.135 -9.100 1.923 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.049 -8.155 0.746 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.024 -8.354 3.240 1.00 0.00 C ATOM 0 H LEU A 102 -1.933 -10.207 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.789 -11.771 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.211 -9.087 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.843 -9.970 2.873 1.00 0.00 H new ATOM 0 HG LEU A 102 0.636 -9.868 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.027 -7.679 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.020 -8.717 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.728 -7.391 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.003 -7.875 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.754 -7.596 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.062 -9.057 4.069 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.110 -12.379 2.430 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.369 -13.046 2.741 1.00 0.00 C ATOM 1562 C ALA A 103 -5.088 -12.352 3.893 1.00 0.00 C ATOM 1563 O ALA A 103 -4.454 -11.849 4.820 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.121 -14.509 3.076 1.00 0.00 C ATOM 0 H ALA A 103 -2.410 -12.434 3.169 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.010 -12.989 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.069 -14.995 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.657 -15.004 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.459 -14.577 3.939 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.415 -12.328 3.826 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.221 -11.696 4.864 1.00 0.00 C ATOM 1572 C ALA A 104 -8.499 -12.487 5.124 1.00 0.00 C ATOM 1573 O ALA A 104 -9.049 -13.134 4.233 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.554 -10.264 4.476 1.00 0.00 C ATOM 0 H ALA A 104 -6.955 -12.739 3.064 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.638 -11.684 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.156 -9.805 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.631 -9.698 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.114 -10.261 3.541 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.983 -12.435 6.374 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.203 -13.140 6.780 1.00 0.00 C ATOM 1582 C PRO A 105 -11.457 -12.532 6.163 1.00 0.00 C ATOM 1583 O PRO A 105 -11.731 -11.345 6.334 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.219 -12.973 8.301 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.437 -11.730 8.554 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.379 -11.683 7.486 1.00 0.00 C ATOM 0 HA PRO A 105 -10.202 -14.179 6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.238 -12.884 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.769 -13.832 8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.078 -10.849 8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.989 -11.746 9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.144 -10.658 7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.448 -12.141 7.822 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.216 -13.354 5.445 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.443 -12.897 4.805 1.00 0.00 C ATOM 1596 C ALA A 106 -14.184 -11.898 5.688 1.00 0.00 C ATOM 1597 O ALA A 106 -14.915 -11.040 5.194 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.340 -14.081 4.476 1.00 0.00 C ATOM 0 H ALA A 106 -12.002 -14.340 5.292 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.173 -12.392 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.253 -13.724 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.817 -14.757 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.594 -14.611 5.394 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.992 -12.018 6.998 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.641 -11.125 7.950 1.00 0.00 C ATOM 1606 C ALA A 107 -14.116 -9.700 7.812 1.00 0.00 C ATOM 1607 O ALA A 107 -14.891 -8.744 7.779 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.437 -11.629 9.370 1.00 0.00 C ATOM 0 H ALA A 107 -13.392 -12.725 7.424 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.709 -11.114 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.927 -10.952 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.867 -12.626 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.371 -11.671 9.592 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.796 -9.565 7.733 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.169 -8.256 7.600 1.00 0.00 C ATOM 1616 C GLU A 108 -12.075 -7.843 6.134 1.00 0.00 C ATOM 1617 O GLU A 108 -12.306 -6.685 5.788 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.773 -8.268 8.228 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.763 -8.719 9.679 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.986 -7.575 10.648 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -10.001 -6.889 10.992 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -12.146 -7.365 11.062 1.00 0.00 O ATOM 0 H GLU A 108 -12.141 -10.346 7.759 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.790 -7.530 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.128 -8.927 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.346 -7.267 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.538 -9.471 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.809 -9.197 9.900 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.733 -8.800 5.277 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.606 -8.537 3.849 1.00 0.00 C ATOM 1631 C ARG A 109 -12.630 -7.501 3.394 1.00 0.00 C ATOM 1632 O ARG A 109 -12.271 -6.431 2.904 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.786 -9.830 3.052 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.152 -9.788 1.671 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.987 -8.969 0.700 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.400 -9.334 0.751 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.912 -10.385 0.120 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.130 -11.171 -0.606 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.209 -10.651 0.216 1.00 0.00 N ATOM 0 H ARG A 109 -11.539 -9.764 5.547 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.607 -8.141 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.354 -10.657 3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.851 -10.037 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.151 -9.362 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.040 -10.803 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.878 -7.910 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.611 -9.114 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.029 -8.749 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.133 -10.970 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.525 -11.977 -1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.813 -10.048 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.601 -11.458 -0.269 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.909 -7.827 3.560 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.965 -6.916 3.161 1.00 0.00 C ATOM 1655 C GLY A 110 -14.640 -5.472 3.491 1.00 0.00 C ATOM 1656 O GLY A 110 -14.838 -4.580 2.665 1.00 0.00 O ATOM 0 H GLY A 110 -14.232 -8.706 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.137 -7.011 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.892 -7.199 3.659 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.141 -5.241 4.700 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.789 -3.895 5.137 1.00 0.00 C ATOM 1662 C ASP A 111 -12.442 -3.472 4.560 1.00 0.00 C ATOM 1663 O ASP A 111 -12.332 -2.427 3.918 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.748 -3.827 6.665 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.880 -2.409 7.185 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.496 -1.576 6.487 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -13.369 -2.133 8.290 1.00 0.00 O ATOM 0 H ASP A 111 -13.971 -5.968 5.395 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.552 -3.209 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.553 -4.438 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.811 -4.255 7.020 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.421 -4.288 4.795 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.081 -3.996 4.299 1.00 0.00 C ATOM 1674 C TRP A 112 -10.137 -3.400 2.897 1.00 0.00 C ATOM 1675 O TRP A 112 -9.907 -2.205 2.711 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.230 -5.267 4.292 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.575 -5.551 5.610 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.747 -6.659 6.389 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.644 -4.711 6.302 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.980 -6.559 7.525 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.293 -5.374 7.495 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.072 -3.466 6.030 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.398 -4.830 8.412 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.184 -2.928 6.942 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.853 -3.609 8.120 1.00 0.00 C ATOM 0 H TRP A 112 -11.495 -5.156 5.325 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.625 -3.265 4.966 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.858 -6.114 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.461 -5.177 3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.391 -7.492 6.148 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.930 -7.254 8.270 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.319 -2.934 5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.143 -5.353 9.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.737 -1.965 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.154 -3.162 8.811 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.444 -4.239 1.913 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.531 -3.794 0.527 1.00 0.00 C ATOM 1698 C VAL A 113 -11.327 -2.498 0.416 1.00 0.00 C ATOM 1699 O VAL A 113 -11.020 -1.639 -0.411 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.186 -4.864 -0.366 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.385 -4.333 -1.778 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.347 -6.133 -0.379 1.00 0.00 C ATOM 0 H VAL A 113 -10.637 -5.231 2.050 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.511 -3.621 0.185 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.165 -5.107 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.849 -5.103 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.029 -3.454 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.419 -4.061 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.825 -6.878 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.353 -5.908 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.261 -6.523 0.635 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.350 -2.364 1.254 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.190 -1.173 1.249 1.00 0.00 C ATOM 1714 C GLN A 114 -12.388 0.061 1.649 1.00 0.00 C ATOM 1715 O GLN A 114 -12.203 0.979 0.850 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.375 -1.355 2.199 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.527 -0.401 1.925 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.216 -0.683 0.605 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -15.747 -1.495 -0.193 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.337 -0.011 0.366 1.00 0.00 N ATOM 0 H GLN A 114 -12.617 -3.066 1.945 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.564 -1.028 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.737 -2.380 2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.033 -1.214 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.255 -0.474 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.154 0.623 1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.690 0.653 1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.844 -0.159 -0.507 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.914 0.076 2.890 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.130 1.196 3.395 1.00 0.00 C ATOM 1731 C ALA A 115 -9.915 1.459 2.511 1.00 0.00 C ATOM 1732 O ALA A 115 -9.666 2.594 2.105 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.694 0.931 4.829 1.00 0.00 C ATOM 0 H ALA A 115 -12.059 -0.675 3.565 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.760 2.086 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.109 1.776 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.574 0.800 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.086 0.027 4.863 1.00 0.00 H new ATOM 1739 N ILE A 116 -9.163 0.403 2.218 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.975 0.521 1.382 1.00 0.00 C ATOM 1741 C ILE A 116 -8.321 1.101 0.014 1.00 0.00 C ATOM 1742 O ILE A 116 -7.714 2.077 -0.429 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.284 -0.842 1.190 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.983 -1.481 2.547 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -6.007 -0.679 0.379 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.566 -2.932 2.452 1.00 0.00 C ATOM 0 H ILE A 116 -9.355 -0.543 2.547 1.00 0.00 H new ATOM 0 HA ILE A 116 -7.292 1.196 1.898 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.957 -1.500 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.191 -0.915 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.868 -1.406 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.530 -1.651 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.248 -0.262 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.327 -0.007 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.369 -3.320 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.365 -3.511 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.663 -3.012 1.847 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.299 0.495 -0.648 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.727 0.951 -1.966 1.00 0.00 C ATOM 1760 C CYS A 117 -10.302 2.362 -1.893 1.00 0.00 C ATOM 1761 O CYS A 117 -10.384 3.064 -2.902 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.768 -0.007 -2.547 1.00 0.00 C ATOM 1763 SG CYS A 117 -11.313 0.420 -4.218 1.00 0.00 S ATOM 0 H CYS A 117 -9.811 -0.313 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.854 0.967 -2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.353 -1.015 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.636 -0.027 -1.887 1.00 0.00 H new ATOM 0 HG CYS A 117 -11.171 1.698 -4.407 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.699 2.771 -0.693 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.268 4.099 -0.488 1.00 0.00 C ATOM 1771 C LEU A 118 -10.172 5.126 -0.221 1.00 0.00 C ATOM 1772 O LEU A 118 -10.311 6.301 -0.565 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.257 4.077 0.679 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.707 3.747 0.324 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.498 3.402 1.577 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.353 4.911 -0.413 1.00 0.00 C ATOM 0 H LEU A 118 -10.638 2.203 0.152 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.795 4.386 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.908 3.348 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.236 5.052 1.165 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.712 2.878 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.528 3.170 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.048 2.537 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.486 4.251 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.385 4.659 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.337 5.797 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.801 5.112 -1.331 1.00 0.00 H new ATOM 1788 N LEU A 119 -9.083 4.675 0.390 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.961 5.554 0.701 1.00 0.00 C ATOM 1790 C LEU A 119 -6.953 5.576 -0.444 1.00 0.00 C ATOM 1791 O LEU A 119 -6.660 6.631 -1.005 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.275 5.102 1.991 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.858 5.656 3.292 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.271 4.929 4.492 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.603 7.153 3.395 1.00 0.00 C ATOM 0 H LEU A 119 -8.952 3.706 0.680 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.349 6.563 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.310 4.013 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.224 5.385 1.938 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.935 5.491 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.697 5.337 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.505 3.867 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.189 5.062 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.024 7.531 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.529 7.341 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.072 7.661 2.552 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.428 4.404 -0.786 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.457 4.288 -1.866 1.00 0.00 C ATOM 1809 C ALA A 120 -5.953 4.986 -3.128 1.00 0.00 C ATOM 1810 O ALA A 120 -5.169 5.573 -3.874 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.159 2.824 -2.153 1.00 0.00 C ATOM 0 H ALA A 120 -6.659 3.521 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.537 4.779 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.432 2.752 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.753 2.353 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.078 2.316 -2.445 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.260 4.919 -3.361 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.860 5.543 -4.534 1.00 0.00 C ATOM 1819 C PHE A 121 -8.939 6.542 -4.125 1.00 0.00 C ATOM 1820 O PHE A 121 -9.990 6.631 -4.760 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.458 4.478 -5.455 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.587 3.265 -5.613 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.393 2.392 -4.554 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.961 2.997 -6.820 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.592 1.275 -4.697 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.160 1.881 -6.968 1.00 0.00 C ATOM 1827 CZ PHE A 121 -5.974 1.019 -5.905 1.00 0.00 C ATOM 0 H PHE A 121 -7.923 4.439 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.077 6.079 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.427 4.171 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.637 4.917 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.873 2.587 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.101 3.668 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.449 0.602 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.679 1.683 -7.915 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.347 0.147 -6.018 1.00 0.00 H new