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 Single : A 14 LYS NZ :NH3+ 166:sc= -0.0119 (180deg=-0.19) USER MOD Single : A 15 GLN : amide:sc= -0.9 K(o=-0.9,f=-7.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.00817 X(o=0.0082,f=0) 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= -0.286 X(o=-0.29,f=-0.3) 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= -2.91! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 160:sc= -0.185 USER MOD Single : A 95 THR OG1 : rot 12:sc= 0.427 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc=-0.00703 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 117 CYS SG : rot -18:sc= 0.015 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.681 4.066 12.604 1.00 0.00 N ATOM 120 CA VAL A 13 -8.137 3.994 12.628 1.00 0.00 C ATOM 121 C VAL A 13 -8.614 2.552 12.758 1.00 0.00 C ATOM 122 O VAL A 13 -9.430 2.232 13.622 1.00 0.00 O ATOM 123 CB VAL A 13 -8.751 4.614 11.359 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.268 4.520 11.399 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.302 6.059 11.201 1.00 0.00 C ATOM 0 HA VAL A 13 -8.467 4.563 13.497 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.399 4.052 10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.684 4.963 10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.566 3.473 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.643 5.056 12.271 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.745 6.481 10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.623 6.637 12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.215 6.096 11.123 1.00 0.00 H new ATOM 135 N LYS A 14 -8.098 1.684 11.894 1.00 0.00 N ATOM 136 CA LYS A 14 -8.469 0.274 11.913 1.00 0.00 C ATOM 137 C LYS A 14 -7.246 -0.607 12.145 1.00 0.00 C ATOM 138 O LYS A 14 -6.247 -0.497 11.435 1.00 0.00 O ATOM 139 CB LYS A 14 -9.147 -0.113 10.596 1.00 0.00 C ATOM 140 CG LYS A 14 -9.743 -1.510 10.607 1.00 0.00 C ATOM 141 CD LYS A 14 -9.905 -2.058 9.199 1.00 0.00 C ATOM 142 CE LYS A 14 -10.629 -3.396 9.201 1.00 0.00 C ATOM 143 NZ LYS A 14 -12.053 -3.255 9.612 1.00 0.00 N ATOM 0 H LYS A 14 -7.422 1.932 11.172 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.168 0.118 12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.935 0.608 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.419 -0.044 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.102 -2.175 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.713 -1.489 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.460 -1.344 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.924 -2.175 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.580 -3.837 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.122 -4.083 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.570 -4.126 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.103 -3.088 10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.482 -2.452 9.109 1.00 0.00 H new ATOM 157 N GLN A 15 -7.333 -1.481 13.143 1.00 0.00 N ATOM 158 CA GLN A 15 -6.233 -2.381 13.467 1.00 0.00 C ATOM 159 C GLN A 15 -6.611 -3.830 13.176 1.00 0.00 C ATOM 160 O GLN A 15 -7.703 -4.279 13.522 1.00 0.00 O ATOM 161 CB GLN A 15 -5.839 -2.230 14.938 1.00 0.00 C ATOM 162 CG GLN A 15 -5.046 -0.967 15.229 1.00 0.00 C ATOM 163 CD GLN A 15 -5.935 0.225 15.523 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.664 0.702 14.652 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.881 0.714 16.757 1.00 0.00 N ATOM 0 H GLN A 15 -8.153 -1.585 13.740 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.382 -2.114 12.841 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.742 -2.231 15.549 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.250 -3.096 15.238 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.388 -1.144 16.080 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.408 -0.738 14.375 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.263 0.288 17.448 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.458 1.515 17.014 1.00 0.00 H new ATOM 174 N GLY A 16 -5.700 -4.557 12.536 1.00 0.00 N ATOM 175 CA GLY A 16 -5.957 -5.947 12.208 1.00 0.00 C ATOM 176 C GLY A 16 -4.689 -6.710 11.881 1.00 0.00 C ATOM 177 O GLY A 16 -3.595 -6.144 11.891 1.00 0.00 O ATOM 0 H GLY A 16 -4.789 -4.208 12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.460 -6.428 13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.637 -5.997 11.357 1.00 0.00 H new ATOM 181 N PHE A 17 -4.833 -7.999 11.593 1.00 0.00 N ATOM 182 CA PHE A 17 -3.689 -8.842 11.265 1.00 0.00 C ATOM 183 C PHE A 17 -3.740 -9.284 9.805 1.00 0.00 C ATOM 184 O PHE A 17 -4.751 -9.810 9.339 1.00 0.00 O ATOM 185 CB PHE A 17 -3.652 -10.068 12.180 1.00 0.00 C ATOM 186 CG PHE A 17 -3.505 -9.725 13.635 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.446 -8.946 14.073 1.00 0.00 C ATOM 188 CD2 PHE A 17 -4.424 -10.183 14.564 1.00 0.00 C ATOM 189 CE1 PHE A 17 -2.307 -8.629 15.411 1.00 0.00 C ATOM 190 CE2 PHE A 17 -4.291 -9.869 15.904 1.00 0.00 C ATOM 191 CZ PHE A 17 -3.230 -9.092 16.328 1.00 0.00 C ATOM 0 H PHE A 17 -5.731 -8.483 11.580 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.782 -8.256 11.418 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.567 -10.643 12.041 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.824 -10.710 11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.721 -8.582 13.360 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.254 -10.792 14.238 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.478 -8.020 15.739 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.016 -10.231 16.618 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.123 -8.847 17.374 1.00 0.00 H new ATOM 201 N LEU A 18 -2.643 -9.066 9.088 1.00 0.00 N ATOM 202 CA LEU A 18 -2.561 -9.440 7.681 1.00 0.00 C ATOM 203 C LEU A 18 -1.425 -10.431 7.446 1.00 0.00 C ATOM 204 O LEU A 18 -0.389 -10.370 8.108 1.00 0.00 O ATOM 205 CB LEU A 18 -2.358 -8.198 6.813 1.00 0.00 C ATOM 206 CG LEU A 18 -3.589 -7.316 6.604 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.190 -5.973 6.011 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.601 -8.016 5.709 1.00 0.00 C ATOM 0 H LEU A 18 -1.798 -8.632 9.458 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.500 -9.919 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.572 -7.590 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.995 -8.518 5.836 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.053 -7.138 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.079 -5.359 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.503 -5.466 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.701 -6.131 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.471 -7.373 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.147 -8.225 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.911 -8.952 6.173 1.00 0.00 H new ATOM 220 N TYR A 19 -1.626 -11.340 6.499 1.00 0.00 N ATOM 221 CA TYR A 19 -0.619 -12.343 6.177 1.00 0.00 C ATOM 222 C TYR A 19 0.029 -12.051 4.827 1.00 0.00 C ATOM 223 O TYR A 19 -0.659 -11.808 3.834 1.00 0.00 O ATOM 224 CB TYR A 19 -1.245 -13.739 6.163 1.00 0.00 C ATOM 225 CG TYR A 19 -2.358 -13.913 7.172 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.089 -13.945 8.535 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.679 -14.044 6.762 1.00 0.00 C ATOM 228 CE1 TYR A 19 -3.103 -14.105 9.459 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.699 -14.203 7.679 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.406 -14.233 9.027 1.00 0.00 C ATOM 231 OH TYR A 19 -5.419 -14.391 9.945 1.00 0.00 O ATOM 0 H TYR A 19 -2.477 -11.403 5.941 1.00 0.00 H new ATOM 0 HA TYR A 19 0.153 -12.306 6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.635 -13.943 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.469 -14.478 6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.070 -13.843 8.878 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.912 -14.021 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.876 -14.130 10.515 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.720 -14.303 7.343 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.276 -14.465 9.476 1.00 0.00 H new ATOM 241 N LEU A 20 1.357 -12.078 4.797 1.00 0.00 N ATOM 242 CA LEU A 20 2.100 -11.817 3.569 1.00 0.00 C ATOM 243 C LEU A 20 2.913 -13.039 3.155 1.00 0.00 C ATOM 244 O LEU A 20 3.903 -13.385 3.799 1.00 0.00 O ATOM 245 CB LEU A 20 3.026 -10.614 3.756 1.00 0.00 C ATOM 246 CG LEU A 20 4.083 -10.405 2.671 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.436 -10.366 1.296 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.868 -9.128 2.930 1.00 0.00 C ATOM 0 H LEU A 20 1.941 -12.278 5.609 1.00 0.00 H new ATOM 0 HA LEU A 20 1.382 -11.596 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.413 -9.715 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.534 -10.718 4.715 1.00 0.00 H new ATOM 0 HG LEU A 20 4.776 -11.246 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.204 -10.217 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.920 -11.308 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.720 -9.545 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.616 -8.996 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.188 -8.276 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.364 -9.196 3.898 1.00 0.00 H new ATOM 260 N GLN A 21 2.489 -13.687 2.074 1.00 0.00 N ATOM 261 CA GLN A 21 3.179 -14.869 1.573 1.00 0.00 C ATOM 262 C GLN A 21 4.638 -14.555 1.257 1.00 0.00 C ATOM 263 O GLN A 21 4.931 -13.760 0.364 1.00 0.00 O ATOM 264 CB GLN A 21 2.478 -15.404 0.323 1.00 0.00 C ATOM 265 CG GLN A 21 2.651 -16.900 0.121 1.00 0.00 C ATOM 266 CD GLN A 21 1.886 -17.420 -1.080 1.00 0.00 C ATOM 267 OE1 GLN A 21 2.317 -17.256 -2.222 1.00 0.00 O ATOM 268 NE2 GLN A 21 0.745 -18.050 -0.829 1.00 0.00 N ATOM 0 H GLN A 21 1.671 -13.413 1.529 1.00 0.00 H new ATOM 0 HA GLN A 21 3.151 -15.632 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.414 -15.175 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.864 -14.881 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.710 -17.126 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.315 -17.425 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.426 -18.163 0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.187 -18.421 -1.598 1.00 0.00 H new ATOM 413 N TRP A 30 2.911 -18.974 4.854 1.00 0.00 N ATOM 414 CA TRP A 30 2.307 -17.701 5.232 1.00 0.00 C ATOM 415 C TRP A 30 2.952 -17.147 6.498 1.00 0.00 C ATOM 416 O TRP A 30 3.583 -17.882 7.257 1.00 0.00 O ATOM 417 CB TRP A 30 0.802 -17.870 5.444 1.00 0.00 C ATOM 418 CG TRP A 30 0.020 -17.891 4.166 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.566 -18.977 3.580 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.259 -16.774 3.314 1.00 0.00 C ATOM 421 NE1 TRP A 30 -1.192 -18.603 2.416 1.00 0.00 N ATOM 422 CE2 TRP A 30 -1.019 -17.257 2.230 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.058 -15.414 3.362 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.465 -16.426 1.206 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.385 -14.591 2.344 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.140 -15.099 1.278 1.00 0.00 C ATOM 0 HA TRP A 30 2.475 -16.993 4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.621 -18.797 5.987 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.437 -17.057 6.071 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.541 -19.982 3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.703 -19.227 1.791 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.639 -15.013 4.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.047 -16.815 0.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.145 -13.538 2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.472 -14.430 0.498 1.00 0.00 H new ATOM 437 N ARG A 31 2.789 -15.846 6.719 1.00 0.00 N ATOM 438 CA ARG A 31 3.356 -15.194 7.893 1.00 0.00 C ATOM 439 C ARG A 31 2.491 -14.017 8.332 1.00 0.00 C ATOM 440 O ARG A 31 2.224 -13.104 7.550 1.00 0.00 O ATOM 441 CB ARG A 31 4.778 -14.713 7.598 1.00 0.00 C ATOM 442 CG ARG A 31 5.826 -15.810 7.703 1.00 0.00 C ATOM 443 CD ARG A 31 7.197 -15.240 8.031 1.00 0.00 C ATOM 444 NE ARG A 31 8.213 -16.284 8.134 1.00 0.00 N ATOM 445 CZ ARG A 31 9.513 -16.064 7.966 1.00 0.00 C ATOM 446 NH1 ARG A 31 9.952 -14.844 7.689 1.00 0.00 N ATOM 447 NH2 ARG A 31 10.376 -17.066 8.076 1.00 0.00 N ATOM 0 H ARG A 31 2.269 -15.223 6.100 1.00 0.00 H new ATOM 0 HA ARG A 31 3.386 -15.923 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.808 -14.288 6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.033 -13.911 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.533 -16.522 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.875 -16.360 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.487 -14.527 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.146 -14.690 8.971 1.00 0.00 H new ATOM 0 HE ARG A 31 7.908 -17.234 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.292 -14.071 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.950 -14.678 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.042 -18.006 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.373 -16.896 7.947 1.00 0.00 H new ATOM 461 N ARG A 32 2.056 -14.045 9.588 1.00 0.00 N ATOM 462 CA ARG A 32 1.220 -12.981 10.131 1.00 0.00 C ATOM 463 C ARG A 32 2.060 -11.760 10.494 1.00 0.00 C ATOM 464 O ARG A 32 2.998 -11.852 11.287 1.00 0.00 O ATOM 465 CB ARG A 32 0.463 -13.477 11.364 1.00 0.00 C ATOM 466 CG ARG A 32 -0.636 -12.534 11.825 1.00 0.00 C ATOM 467 CD ARG A 32 -0.996 -12.769 13.283 1.00 0.00 C ATOM 468 NE ARG A 32 -1.612 -14.077 13.491 1.00 0.00 N ATOM 469 CZ ARG A 32 -2.145 -14.463 14.645 1.00 0.00 C ATOM 470 NH1 ARG A 32 -2.139 -13.646 15.689 1.00 0.00 N ATOM 471 NH2 ARG A 32 -2.687 -15.669 14.756 1.00 0.00 N ATOM 0 H ARG A 32 2.269 -14.793 10.248 1.00 0.00 H new ATOM 0 HA ARG A 32 0.502 -12.691 9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.026 -14.451 11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.171 -13.623 12.180 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.311 -11.502 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.521 -12.673 11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.098 -12.690 13.895 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.680 -11.989 13.618 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.634 -14.730 12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.724 -12.718 15.608 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.549 -13.946 16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.695 -16.300 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.096 -15.965 15.642 1.00 0.00 H new ATOM 485 N PHE A 33 1.719 -10.617 9.908 1.00 0.00 N ATOM 486 CA PHE A 33 2.442 -9.379 10.168 1.00 0.00 C ATOM 487 C PHE A 33 1.494 -8.287 10.655 1.00 0.00 C ATOM 488 O PHE A 33 0.668 -7.783 9.895 1.00 0.00 O ATOM 489 CB PHE A 33 3.169 -8.913 8.905 1.00 0.00 C ATOM 490 CG PHE A 33 4.152 -9.917 8.375 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.419 -10.024 8.925 1.00 0.00 C ATOM 492 CD2 PHE A 33 3.810 -10.753 7.325 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.326 -10.947 8.440 1.00 0.00 C ATOM 494 CE2 PHE A 33 4.712 -11.679 6.835 1.00 0.00 C ATOM 495 CZ PHE A 33 5.972 -11.775 7.392 1.00 0.00 C ATOM 0 H PHE A 33 0.946 -10.523 9.249 1.00 0.00 H new ATOM 0 HA PHE A 33 3.176 -9.574 10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.433 -8.694 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.693 -7.982 9.120 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.701 -9.378 9.743 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.827 -10.681 6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.310 -11.021 8.879 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.432 -12.327 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.679 -12.496 7.009 1.00 0.00 H new ATOM 505 N GLY A 34 1.619 -7.926 11.929 1.00 0.00 N ATOM 506 CA GLY A 34 0.767 -6.897 12.496 1.00 0.00 C ATOM 507 C GLY A 34 0.464 -5.787 11.510 1.00 0.00 C ATOM 508 O GLY A 34 1.368 -5.078 11.066 1.00 0.00 O ATOM 0 H GLY A 34 2.295 -8.328 12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.168 -7.347 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.250 -6.474 13.377 1.00 0.00 H new ATOM 512 N ALA A 35 -0.810 -5.636 11.164 1.00 0.00 N ATOM 513 CA ALA A 35 -1.229 -4.603 10.224 1.00 0.00 C ATOM 514 C ALA A 35 -1.903 -3.442 10.948 1.00 0.00 C ATOM 515 O ALA A 35 -2.674 -3.647 11.886 1.00 0.00 O ATOM 516 CB ALA A 35 -2.165 -5.190 9.178 1.00 0.00 C ATOM 0 H ALA A 35 -1.570 -6.216 11.520 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.340 -4.218 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.470 -4.408 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.650 -5.980 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.046 -5.603 9.669 1.00 0.00 H new ATOM 522 N SER A 36 -1.606 -2.224 10.508 1.00 0.00 N ATOM 523 CA SER A 36 -2.180 -1.030 11.118 1.00 0.00 C ATOM 524 C SER A 36 -2.582 -0.016 10.051 1.00 0.00 C ATOM 525 O SER A 36 -1.748 0.448 9.273 1.00 0.00 O ATOM 526 CB SER A 36 -1.181 -0.397 12.089 1.00 0.00 C ATOM 527 OG SER A 36 -1.169 -1.085 13.328 1.00 0.00 O ATOM 0 H SER A 36 -0.971 -2.038 9.732 1.00 0.00 H new ATOM 0 HA SER A 36 -3.073 -1.326 11.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.183 -0.413 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.441 0.649 12.253 1.00 0.00 H new ATOM 0 HG SER A 36 -0.522 -0.663 13.930 1.00 0.00 H new ATOM 533 N LEU A 37 -3.866 0.324 10.022 1.00 0.00 N ATOM 534 CA LEU A 37 -4.382 1.284 9.052 1.00 0.00 C ATOM 535 C LEU A 37 -4.438 2.686 9.650 1.00 0.00 C ATOM 536 O LEU A 37 -5.083 2.909 10.675 1.00 0.00 O ATOM 537 CB LEU A 37 -5.774 0.862 8.578 1.00 0.00 C ATOM 538 CG LEU A 37 -6.310 1.586 7.342 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.345 1.435 6.176 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.687 1.056 6.970 1.00 0.00 C ATOM 0 H LEU A 37 -4.569 -0.051 10.659 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.704 1.301 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.756 -0.208 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.477 1.015 9.397 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.402 2.647 7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.742 1.956 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.379 1.862 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.221 0.378 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.053 1.582 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.620 -0.010 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.375 1.216 7.800 1.00 0.00 H new ATOM 552 N TYR A 38 -3.761 3.627 9.003 1.00 0.00 N ATOM 553 CA TYR A 38 -3.734 5.008 9.471 1.00 0.00 C ATOM 554 C TYR A 38 -4.414 5.936 8.469 1.00 0.00 C ATOM 555 O TYR A 38 -4.444 5.660 7.270 1.00 0.00 O ATOM 556 CB TYR A 38 -2.292 5.461 9.705 1.00 0.00 C ATOM 557 CG TYR A 38 -1.596 4.713 10.820 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.874 4.996 12.151 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.659 3.726 10.542 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.240 4.316 13.173 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.022 3.040 11.557 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.315 3.339 12.871 1.00 0.00 C ATOM 563 OH TYR A 38 0.319 2.659 13.886 1.00 0.00 O ATOM 0 H TYR A 38 -3.223 3.459 8.153 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.281 5.057 10.413 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.725 5.332 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.287 6.526 9.935 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.598 5.761 12.391 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.425 3.491 9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.468 4.548 14.203 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.702 2.273 11.323 1.00 0.00 H new ATOM 0 HH TYR A 38 0.939 2.004 13.503 1.00 0.00 H new ATOM 573 N GLY A 39 -4.960 7.040 8.971 1.00 0.00 N ATOM 574 CA GLY A 39 -5.632 7.994 8.108 1.00 0.00 C ATOM 575 C GLY A 39 -7.125 8.053 8.361 1.00 0.00 C ATOM 576 O GLY A 39 -7.562 8.298 9.485 1.00 0.00 O ATOM 0 H GLY A 39 -4.949 7.290 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.201 8.984 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.453 7.726 7.067 1.00 0.00 H new ATOM 650 N ALA A 46 -2.308 8.569 4.930 1.00 0.00 N ATOM 651 CA ALA A 46 -2.676 7.189 5.221 1.00 0.00 C ATOM 652 C ALA A 46 -1.607 6.220 4.729 1.00 0.00 C ATOM 653 O ALA A 46 -1.081 6.369 3.626 1.00 0.00 O ATOM 654 CB ALA A 46 -4.021 6.858 4.593 1.00 0.00 C ATOM 0 HA ALA A 46 -2.756 7.081 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.283 5.824 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.785 7.523 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.960 6.990 3.513 1.00 0.00 H new ATOM 660 N ARG A 47 -1.290 5.227 5.553 1.00 0.00 N ATOM 661 CA ARG A 47 -0.281 4.234 5.201 1.00 0.00 C ATOM 662 C ARG A 47 -0.477 2.952 6.006 1.00 0.00 C ATOM 663 O ARG A 47 -0.971 2.983 7.134 1.00 0.00 O ATOM 664 CB ARG A 47 1.122 4.793 5.445 1.00 0.00 C ATOM 665 CG ARG A 47 1.352 5.260 6.873 1.00 0.00 C ATOM 666 CD ARG A 47 2.801 5.660 7.102 1.00 0.00 C ATOM 667 NE ARG A 47 3.255 6.652 6.130 1.00 0.00 N ATOM 668 CZ ARG A 47 4.529 6.983 5.958 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.472 6.404 6.688 1.00 0.00 N ATOM 670 NH2 ARG A 47 4.863 7.894 5.053 1.00 0.00 N ATOM 0 H ARG A 47 -1.717 5.088 6.469 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.392 3.999 4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.857 4.026 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.294 5.628 4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.701 6.107 7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.079 4.464 7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.911 6.062 8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.435 4.776 7.041 1.00 0.00 H new ATOM 0 HE ARG A 47 2.554 7.116 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.219 5.702 7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.450 6.660 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.140 8.341 4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.842 8.147 4.922 1.00 0.00 H new ATOM 684 N LEU A 48 -0.087 1.827 5.418 1.00 0.00 N ATOM 685 CA LEU A 48 -0.219 0.533 6.079 1.00 0.00 C ATOM 686 C LEU A 48 1.121 0.070 6.643 1.00 0.00 C ATOM 687 O LEU A 48 2.072 -0.160 5.898 1.00 0.00 O ATOM 688 CB LEU A 48 -0.760 -0.510 5.100 1.00 0.00 C ATOM 689 CG LEU A 48 -1.598 -1.634 5.710 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.841 -1.069 6.381 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.979 -2.653 4.647 1.00 0.00 C ATOM 0 H LEU A 48 0.323 1.784 4.485 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.921 0.646 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.366 0.003 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.084 -0.957 4.574 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.998 -2.138 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.425 -1.883 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.546 -0.379 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.444 -0.539 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.575 -3.445 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.560 -2.163 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.075 -3.081 4.213 1.00 0.00 H new ATOM 703 N GLU A 49 1.185 -0.066 7.964 1.00 0.00 N ATOM 704 CA GLU A 49 2.408 -0.503 8.627 1.00 0.00 C ATOM 705 C GLU A 49 2.414 -2.018 8.815 1.00 0.00 C ATOM 706 O GLU A 49 1.360 -2.651 8.880 1.00 0.00 O ATOM 707 CB GLU A 49 2.555 0.190 9.983 1.00 0.00 C ATOM 708 CG GLU A 49 3.024 1.632 9.882 1.00 0.00 C ATOM 709 CD GLU A 49 4.534 1.758 9.917 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.210 0.995 9.195 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.041 2.619 10.665 1.00 0.00 O ATOM 0 H GLU A 49 0.406 0.120 8.595 1.00 0.00 H new ATOM 0 HA GLU A 49 3.252 -0.229 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.596 0.164 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.262 -0.371 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.648 2.068 8.957 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.596 2.208 10.703 1.00 0.00 H new ATOM 718 N LEU A 50 3.609 -2.592 8.900 1.00 0.00 N ATOM 719 CA LEU A 50 3.754 -4.033 9.079 1.00 0.00 C ATOM 720 C LEU A 50 4.811 -4.347 10.133 1.00 0.00 C ATOM 721 O LEU A 50 5.922 -3.820 10.086 1.00 0.00 O ATOM 722 CB LEU A 50 4.126 -4.697 7.753 1.00 0.00 C ATOM 723 CG LEU A 50 3.024 -4.748 6.695 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.539 -5.392 5.417 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.812 -5.503 7.223 1.00 0.00 C ATOM 0 H LEU A 50 4.491 -2.082 8.848 1.00 0.00 H new ATOM 0 HA LEU A 50 2.798 -4.430 9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.981 -4.168 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.451 -5.717 7.959 1.00 0.00 H new ATOM 0 HG LEU A 50 2.720 -3.727 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.740 -5.419 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.375 -4.811 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.871 -6.408 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.037 -5.529 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.102 -6.522 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.428 -4.999 8.110 1.00 0.00 H new ATOM 737 N GLN A 51 4.457 -5.210 11.080 1.00 0.00 N ATOM 738 CA GLN A 51 5.377 -5.595 12.144 1.00 0.00 C ATOM 739 C GLN A 51 5.821 -7.045 11.982 1.00 0.00 C ATOM 740 O GLN A 51 5.028 -7.907 11.603 1.00 0.00 O ATOM 741 CB GLN A 51 4.719 -5.400 13.511 1.00 0.00 C ATOM 742 CG GLN A 51 5.714 -5.234 14.648 1.00 0.00 C ATOM 743 CD GLN A 51 6.247 -6.560 15.155 1.00 0.00 C ATOM 744 OE1 GLN A 51 5.495 -7.387 15.671 1.00 0.00 O ATOM 745 NE2 GLN A 51 7.550 -6.769 15.011 1.00 0.00 N ATOM 0 H GLN A 51 3.541 -5.655 11.132 1.00 0.00 H new ATOM 0 HA GLN A 51 6.257 -4.956 12.078 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.074 -4.522 13.473 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.079 -6.256 13.722 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.547 -4.617 14.310 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.236 -4.701 15.470 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.136 -6.056 14.577 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.965 -7.643 15.334 1.00 0.00 H new ATOM 959 N LYS A 65 8.677 -2.271 7.768 1.00 0.00 N ATOM 960 CA LYS A 65 7.997 -2.539 6.507 1.00 0.00 C ATOM 961 C LYS A 65 6.691 -1.756 6.415 1.00 0.00 C ATOM 962 O LYS A 65 5.730 -2.046 7.128 1.00 0.00 O ATOM 963 CB LYS A 65 7.716 -4.037 6.363 1.00 0.00 C ATOM 964 CG LYS A 65 7.147 -4.422 5.009 1.00 0.00 C ATOM 965 CD LYS A 65 8.238 -4.547 3.960 1.00 0.00 C ATOM 966 CE LYS A 65 8.856 -5.937 3.961 1.00 0.00 C ATOM 967 NZ LYS A 65 10.280 -5.911 3.526 1.00 0.00 N ATOM 0 HA LYS A 65 8.651 -2.218 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.641 -4.589 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.018 -4.344 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.613 -5.368 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.421 -3.673 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.823 -4.333 2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.012 -3.803 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.790 -6.363 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.286 -6.588 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.665 -6.877 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.341 -5.528 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.830 -5.310 4.173 1.00 0.00 H new ATOM 981 N VAL A 66 6.663 -0.763 5.532 1.00 0.00 N ATOM 982 CA VAL A 66 5.474 0.060 5.345 1.00 0.00 C ATOM 983 C VAL A 66 5.117 0.183 3.868 1.00 0.00 C ATOM 984 O VAL A 66 5.983 0.430 3.028 1.00 0.00 O ATOM 985 CB VAL A 66 5.669 1.470 5.934 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.400 2.365 4.945 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.329 2.075 6.323 1.00 0.00 C ATOM 0 H VAL A 66 7.450 -0.509 4.935 1.00 0.00 H new ATOM 0 HA VAL A 66 4.659 -0.437 5.872 1.00 0.00 H new ATOM 0 HB VAL A 66 6.279 1.388 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.529 3.357 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.377 1.937 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.819 2.443 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.486 3.071 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.692 2.145 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.848 1.443 7.070 1.00 0.00 H new ATOM 997 N ILE A 67 3.837 0.010 3.558 1.00 0.00 N ATOM 998 CA ILE A 67 3.365 0.103 2.182 1.00 0.00 C ATOM 999 C ILE A 67 2.321 1.204 2.032 1.00 0.00 C ATOM 1000 O ILE A 67 1.133 0.984 2.273 1.00 0.00 O ATOM 1001 CB ILE A 67 2.762 -1.230 1.702 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.795 -2.353 1.816 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.267 -1.102 0.269 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.180 -3.729 1.942 1.00 0.00 C ATOM 0 H ILE A 67 3.108 -0.195 4.241 1.00 0.00 H new ATOM 0 HA ILE A 67 4.232 0.342 1.567 1.00 0.00 H new ATOM 0 HB ILE A 67 1.913 -1.477 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.441 -2.332 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.429 -2.166 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.844 -2.052 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.502 -0.327 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.100 -0.835 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.971 -4.475 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.556 -3.768 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.569 -3.936 1.063 1.00 0.00 H new ATOM 1016 N ARG A 68 2.770 2.388 1.631 1.00 0.00 N ATOM 1017 CA ARG A 68 1.875 3.524 1.448 1.00 0.00 C ATOM 1018 C ARG A 68 0.739 3.172 0.491 1.00 0.00 C ATOM 1019 O ARG A 68 0.969 2.625 -0.588 1.00 0.00 O ATOM 1020 CB ARG A 68 2.649 4.731 0.914 1.00 0.00 C ATOM 1021 CG ARG A 68 3.678 5.275 1.892 1.00 0.00 C ATOM 1022 CD ARG A 68 4.401 6.485 1.323 1.00 0.00 C ATOM 1023 NE ARG A 68 5.417 6.997 2.240 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.158 8.071 1.991 1.00 0.00 C ATOM 1025 NH1 ARG A 68 5.997 8.743 0.860 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.062 8.474 2.874 1.00 0.00 N ATOM 0 H ARG A 68 3.749 2.586 1.426 1.00 0.00 H new ATOM 0 HA ARG A 68 1.447 3.776 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.152 4.449 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.943 5.523 0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.186 5.549 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.402 4.496 2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.870 6.215 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.678 7.271 1.108 1.00 0.00 H new ATOM 0 HE ARG A 68 5.565 6.502 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.303 8.436 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.567 9.567 0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.189 7.959 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.630 9.299 2.682 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.487 3.489 0.895 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.659 3.206 0.075 1.00 0.00 C ATOM 1042 C LEU A 69 -1.696 4.110 -1.153 1.00 0.00 C ATOM 1043 O LEU A 69 -2.318 3.778 -2.162 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.937 3.389 0.896 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.134 2.413 2.057 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.315 2.837 2.915 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.332 0.997 1.536 1.00 0.00 C ATOM 0 H LEU A 69 -0.694 3.942 1.785 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.595 2.171 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.947 4.403 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.792 3.302 0.225 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.237 2.429 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.440 2.131 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.133 3.833 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.220 2.851 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.471 0.316 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.212 0.965 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.455 0.694 0.964 1.00 0.00 H new ATOM 1059 N SER A 70 -1.025 5.254 -1.060 1.00 0.00 N ATOM 1060 CA SER A 70 -0.982 6.207 -2.162 1.00 0.00 C ATOM 1061 C SER A 70 -0.144 5.666 -3.316 1.00 0.00 C ATOM 1062 O SER A 70 -0.335 6.050 -4.470 1.00 0.00 O ATOM 1063 CB SER A 70 -0.412 7.544 -1.686 1.00 0.00 C ATOM 1064 OG SER A 70 -0.859 8.611 -2.505 1.00 0.00 O ATOM 0 H SER A 70 -0.504 5.543 -0.232 1.00 0.00 H new ATOM 0 HA SER A 70 -2.001 6.360 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.712 7.724 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.677 7.504 -1.699 1.00 0.00 H new ATOM 0 HG SER A 70 -0.482 9.454 -2.178 1.00 0.00 H new ATOM 1070 N ASP A 71 0.785 4.772 -2.996 1.00 0.00 N ATOM 1071 CA ASP A 71 1.653 4.176 -4.005 1.00 0.00 C ATOM 1072 C ASP A 71 0.934 3.054 -4.746 1.00 0.00 C ATOM 1073 O ASP A 71 1.162 2.837 -5.937 1.00 0.00 O ATOM 1074 CB ASP A 71 2.931 3.640 -3.357 1.00 0.00 C ATOM 1075 CG ASP A 71 3.751 2.793 -4.310 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.588 3.364 -5.039 1.00 0.00 O ATOM 1077 OD2 ASP A 71 3.556 1.559 -4.326 1.00 0.00 O ATOM 0 H ASP A 71 0.956 4.444 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 71 1.918 4.951 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.536 4.476 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.670 3.047 -2.481 1.00 0.00 H new ATOM 1082 N CYS A 72 0.066 2.343 -4.034 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.685 1.241 -4.624 1.00 0.00 C ATOM 1084 C CYS A 72 -1.158 1.596 -6.030 1.00 0.00 C ATOM 1085 O CYS A 72 -1.885 2.571 -6.225 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.885 0.886 -3.745 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.443 0.110 -2.172 1.00 0.00 S ATOM 0 H CYS A 72 -0.135 2.510 -3.048 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.023 0.378 -4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.455 1.793 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.541 0.214 -4.298 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.524 -0.151 -1.498 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.739 0.800 -7.008 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.117 1.031 -8.398 1.00 0.00 C ATOM 1095 C LEU A 73 -2.530 0.524 -8.669 1.00 0.00 C ATOM 1096 O LEU A 73 -3.314 1.177 -9.358 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.127 0.343 -9.338 1.00 0.00 C ATOM 1098 CG LEU A 73 1.272 0.958 -9.407 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.242 0.004 -10.086 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.233 2.292 -10.138 1.00 0.00 C ATOM 0 H LEU A 73 -0.137 -0.011 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.095 2.105 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.029 -0.698 -9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.551 0.341 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 73 1.621 1.134 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.232 0.459 -10.126 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.293 -0.927 -9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.898 -0.205 -11.099 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.237 2.715 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.863 2.141 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.571 2.978 -9.609 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.849 -0.644 -8.121 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.167 -1.239 -8.302 1.00 0.00 C ATOM 1114 C ARG A 74 -4.362 -2.426 -7.364 1.00 0.00 C ATOM 1115 O ARG A 74 -3.416 -3.153 -7.060 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.353 -1.686 -9.754 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.615 -2.501 -9.983 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.830 -1.606 -10.172 1.00 0.00 C ATOM 1119 NE ARG A 74 -8.074 -2.296 -9.844 1.00 0.00 N ATOM 1120 CZ ARG A 74 -9.255 -1.691 -9.778 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -9.351 -0.390 -10.017 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -10.343 -2.387 -9.473 1.00 0.00 N ATOM 0 H ARG A 74 -2.212 -1.197 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.915 -0.483 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.378 -0.806 -10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.489 -2.277 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.487 -3.133 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.779 -3.165 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.730 -0.721 -9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.869 -1.261 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.034 -3.298 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.517 0.148 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.259 0.072 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.273 -3.388 -9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.249 -1.921 -9.423 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.596 -2.617 -6.908 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.916 -3.716 -6.005 1.00 0.00 C ATOM 1138 C VAL A 75 -7.197 -4.423 -6.432 1.00 0.00 C ATOM 1139 O VAL A 75 -7.996 -3.877 -7.192 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.074 -3.223 -4.554 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.884 -2.367 -4.148 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.375 -2.451 -4.393 1.00 0.00 C ATOM 0 H VAL A 75 -6.391 -2.025 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.083 -4.418 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.108 -4.091 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.013 -2.028 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.970 -2.956 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.815 -1.503 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.471 -2.110 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.372 -1.590 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.216 -3.099 -4.640 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.387 -5.642 -5.937 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.572 -6.424 -6.266 1.00 0.00 C ATOM 1154 C ALA A 76 -8.858 -7.466 -5.189 1.00 0.00 C ATOM 1155 O ALA A 76 -8.053 -7.670 -4.282 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.403 -7.095 -7.621 1.00 0.00 C ATOM 0 H ALA A 76 -6.735 -6.109 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.423 -5.745 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.296 -7.676 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.255 -6.334 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.537 -7.756 -7.594 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.010 -8.121 -5.297 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.402 -9.140 -4.331 1.00 0.00 C ATOM 1164 C GLU A 77 -10.185 -10.540 -4.899 1.00 0.00 C ATOM 1165 O GLU A 77 -10.544 -10.820 -6.042 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.869 -8.961 -3.933 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.089 -7.874 -2.894 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.466 -7.246 -2.990 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.441 -7.881 -2.539 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -13.567 -6.117 -3.516 1.00 0.00 O ATOM 0 H GLU A 77 -10.687 -7.964 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.777 -9.024 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.452 -8.725 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.249 -9.906 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.955 -8.296 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.331 -7.100 -3.017 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.595 -11.415 -4.091 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.332 -12.785 -4.511 1.00 0.00 C ATOM 1179 C ALA A 78 -10.273 -13.763 -3.816 1.00 0.00 C ATOM 1180 O ALA A 78 -10.968 -13.403 -2.867 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.883 -13.154 -4.230 1.00 0.00 C ATOM 0 H ALA A 78 -9.290 -11.199 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.511 -12.850 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.701 -14.180 -4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.223 -12.481 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.686 -13.065 -3.162 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.894 -20.563 4.500 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.380 -19.847 5.673 1.00 0.00 C ATOM 1288 C ASP A 87 -11.879 -18.406 5.677 1.00 0.00 C ATOM 1289 O ASP A 87 -12.274 -17.601 6.522 1.00 0.00 O ATOM 1290 CB ASP A 87 -11.934 -20.558 6.952 1.00 0.00 C ATOM 1291 CG ASP A 87 -12.634 -21.889 7.148 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -13.880 -21.922 7.068 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -11.936 -22.897 7.381 1.00 0.00 O ATOM 0 HA ASP A 87 -13.469 -19.834 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.856 -20.719 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.134 -19.916 7.810 1.00 0.00 H new ATOM 1298 N THR A 88 -11.005 -18.086 4.728 1.00 0.00 N ATOM 1299 CA THR A 88 -10.448 -16.743 4.623 1.00 0.00 C ATOM 1300 C THR A 88 -10.665 -16.166 3.229 1.00 0.00 C ATOM 1301 O THR A 88 -11.324 -16.778 2.389 1.00 0.00 O ATOM 1302 CB THR A 88 -8.941 -16.734 4.940 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.248 -17.625 4.058 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.690 -17.144 6.384 1.00 0.00 C ATOM 0 H THR A 88 -10.667 -18.739 4.021 1.00 0.00 H new ATOM 0 HA THR A 88 -10.970 -16.126 5.355 1.00 0.00 H new ATOM 0 HB THR A 88 -8.568 -15.720 4.796 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.290 -17.612 4.266 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.619 -17.130 6.585 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.194 -16.446 7.053 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.078 -18.149 6.549 1.00 0.00 H new ATOM 1312 N SER A 89 -10.106 -14.984 2.990 1.00 0.00 N ATOM 1313 CA SER A 89 -10.242 -14.321 1.697 1.00 0.00 C ATOM 1314 C SER A 89 -9.004 -13.488 1.381 1.00 0.00 C ATOM 1315 O SER A 89 -8.738 -12.479 2.032 1.00 0.00 O ATOM 1316 CB SER A 89 -11.486 -13.431 1.685 1.00 0.00 C ATOM 1317 OG SER A 89 -12.645 -14.168 2.035 1.00 0.00 O ATOM 0 H SER A 89 -9.555 -14.466 3.674 1.00 0.00 H new ATOM 0 HA SER A 89 -10.347 -15.090 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.352 -12.605 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.615 -12.994 0.695 1.00 0.00 H new ATOM 0 HG SER A 89 -13.347 -13.552 2.331 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.249 -13.920 0.376 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.040 -13.214 -0.029 1.00 0.00 C ATOM 1325 C ALA A 90 -7.368 -12.055 -0.964 1.00 0.00 C ATOM 1326 O ALA A 90 -8.419 -12.040 -1.605 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.067 -14.175 -0.697 1.00 0.00 C ATOM 0 H ALA A 90 -8.453 -14.755 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.572 -12.803 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.168 -13.635 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.799 -14.967 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.536 -14.613 -1.578 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.462 -11.085 -1.037 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.656 -9.921 -1.893 1.00 0.00 C ATOM 1335 C PHE A 91 -5.396 -9.623 -2.699 1.00 0.00 C ATOM 1336 O PHE A 91 -4.356 -10.252 -2.504 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.037 -8.701 -1.051 1.00 0.00 C ATOM 1338 CG PHE A 91 -5.940 -8.239 -0.135 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.641 -8.944 1.020 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.209 -7.099 -0.428 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -4.633 -8.521 1.865 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.199 -6.671 0.413 1.00 0.00 C ATOM 1343 CZ PHE A 91 -3.910 -7.383 1.561 1.00 0.00 C ATOM 0 H PHE A 91 -5.587 -11.082 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.466 -10.142 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.313 -7.883 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.919 -8.941 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.202 -9.834 1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.431 -6.538 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.410 -9.079 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.636 -5.781 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.121 -7.051 2.219 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.497 -8.658 -3.608 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.367 -8.276 -4.447 1.00 0.00 C ATOM 1355 C PHE A 92 -3.817 -6.915 -4.032 1.00 0.00 C ATOM 1356 O PHE A 92 -4.520 -6.108 -3.422 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.784 -8.244 -5.918 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.761 -9.592 -6.578 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.571 -10.130 -7.043 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -5.928 -10.323 -6.734 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.547 -11.371 -7.652 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -5.909 -11.564 -7.341 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.717 -12.090 -7.800 1.00 0.00 C ATOM 0 H PHE A 92 -6.350 -8.126 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.582 -9.020 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.789 -7.829 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.120 -7.571 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.653 -9.574 -6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.863 -9.918 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.614 -11.778 -8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.826 -12.123 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.700 -13.061 -8.273 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.555 -6.666 -4.366 1.00 0.00 N ATOM 1374 CA LEU A 93 -1.909 -5.403 -4.028 1.00 0.00 C ATOM 1375 C LEU A 93 -0.675 -5.173 -4.896 1.00 0.00 C ATOM 1376 O LEU A 93 0.345 -5.840 -4.727 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.517 -5.387 -2.550 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.508 -4.015 -1.873 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.197 -4.154 -0.391 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.501 -3.095 -2.547 1.00 0.00 C ATOM 0 H LEU A 93 -1.959 -7.322 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.619 -4.598 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.204 -6.034 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.523 -5.824 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.499 -3.573 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.195 -3.168 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.955 -4.777 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.218 -4.616 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.508 -2.124 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.495 -3.531 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.768 -2.970 -3.596 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.777 -4.225 -5.821 1.00 0.00 N ATOM 1393 CA GLU A 94 0.332 -3.907 -6.714 1.00 0.00 C ATOM 1394 C GLU A 94 0.976 -2.578 -6.329 1.00 0.00 C ATOM 1395 O GLU A 94 0.289 -1.575 -6.134 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.152 -3.850 -8.164 1.00 0.00 C ATOM 1397 CG GLU A 94 0.974 -3.893 -9.183 1.00 0.00 C ATOM 1398 CD GLU A 94 0.505 -3.557 -10.585 1.00 0.00 C ATOM 1399 OE1 GLU A 94 0.013 -4.468 -11.282 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.631 -2.380 -10.986 1.00 0.00 O ATOM 0 H GLU A 94 -1.615 -3.664 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 94 1.079 -4.695 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.828 -4.686 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.728 -2.937 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.754 -3.191 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.422 -4.887 -9.182 1.00 0.00 H new ATOM 1407 N THR A 95 2.301 -2.580 -6.220 1.00 0.00 N ATOM 1408 CA THR A 95 3.039 -1.377 -5.856 1.00 0.00 C ATOM 1409 C THR A 95 4.150 -1.090 -6.860 1.00 0.00 C ATOM 1410 O THR A 95 4.695 -2.004 -7.478 1.00 0.00 O ATOM 1411 CB THR A 95 3.653 -1.497 -4.449 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.167 -2.819 -4.250 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.617 -1.185 -3.379 1.00 0.00 C ATOM 0 H THR A 95 2.885 -3.401 -6.379 1.00 0.00 H new ATOM 0 HA THR A 95 2.324 -0.554 -5.862 1.00 0.00 H new ATOM 0 HB THR A 95 4.466 -0.775 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.186 -3.295 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.073 -1.276 -2.393 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.248 -0.169 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.787 -1.887 -3.461 1.00 0.00 H new ATOM 1421 N LYS A 96 4.484 0.187 -7.016 1.00 0.00 N ATOM 1422 CA LYS A 96 5.533 0.596 -7.943 1.00 0.00 C ATOM 1423 C LYS A 96 6.724 -0.355 -7.871 1.00 0.00 C ATOM 1424 O LYS A 96 7.486 -0.482 -8.829 1.00 0.00 O ATOM 1425 CB LYS A 96 5.987 2.024 -7.634 1.00 0.00 C ATOM 1426 CG LYS A 96 4.968 3.083 -8.017 1.00 0.00 C ATOM 1427 CD LYS A 96 5.620 4.443 -8.205 1.00 0.00 C ATOM 1428 CE LYS A 96 4.661 5.439 -8.837 1.00 0.00 C ATOM 1429 NZ LYS A 96 5.369 6.646 -9.345 1.00 0.00 N ATOM 0 H LYS A 96 4.043 0.957 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 96 5.124 0.562 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.200 2.106 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.920 2.222 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.465 2.789 -8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.203 3.149 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.957 4.823 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.505 4.340 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.128 4.959 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.913 5.739 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.680 7.300 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.857 7.119 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.065 6.363 -10.064 1.00 0.00 H new ATOM 1443 N GLU A 97 6.876 -1.020 -6.731 1.00 0.00 N ATOM 1444 CA GLU A 97 7.974 -1.959 -6.536 1.00 0.00 C ATOM 1445 C GLU A 97 7.665 -3.302 -7.191 1.00 0.00 C ATOM 1446 O GLU A 97 8.312 -3.695 -8.162 1.00 0.00 O ATOM 1447 CB GLU A 97 8.246 -2.158 -5.043 1.00 0.00 C ATOM 1448 CG GLU A 97 9.648 -2.660 -4.741 1.00 0.00 C ATOM 1449 CD GLU A 97 10.076 -2.372 -3.315 1.00 0.00 C ATOM 1450 OE1 GLU A 97 9.191 -2.281 -2.438 1.00 0.00 O ATOM 1451 OE2 GLU A 97 11.294 -2.237 -3.076 1.00 0.00 O ATOM 0 H GLU A 97 6.253 -0.926 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 97 8.863 -1.541 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.088 -1.212 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.521 -2.866 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.692 -3.734 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.353 -2.194 -5.429 1.00 0.00 H new ATOM 1458 N ARG A 98 6.671 -4.001 -6.653 1.00 0.00 N ATOM 1459 CA ARG A 98 6.276 -5.301 -7.183 1.00 0.00 C ATOM 1460 C ARG A 98 4.877 -5.680 -6.707 1.00 0.00 C ATOM 1461 O ARG A 98 4.254 -4.951 -5.934 1.00 0.00 O ATOM 1462 CB ARG A 98 7.280 -6.375 -6.760 1.00 0.00 C ATOM 1463 CG ARG A 98 7.293 -6.640 -5.263 1.00 0.00 C ATOM 1464 CD ARG A 98 8.558 -7.369 -4.837 1.00 0.00 C ATOM 1465 NE ARG A 98 9.723 -6.488 -4.837 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.828 -6.732 -4.140 1.00 0.00 C ATOM 1467 NH1 ARG A 98 10.917 -7.823 -3.393 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.846 -5.883 -4.191 1.00 0.00 N ATOM 0 H ARG A 98 6.124 -3.689 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 98 6.264 -5.233 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.049 -7.303 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.278 -6.072 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.217 -5.695 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.420 -7.233 -4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.418 -7.785 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.737 -8.207 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 98 9.687 -5.640 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.136 -8.478 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.766 -8.008 -2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.781 -5.043 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.694 -6.071 -3.656 1.00 0.00 H new ATOM 1482 N LEU A 99 4.390 -6.825 -7.173 1.00 0.00 N ATOM 1483 CA LEU A 99 3.064 -7.302 -6.795 1.00 0.00 C ATOM 1484 C LEU A 99 3.129 -8.140 -5.522 1.00 0.00 C ATOM 1485 O LEU A 99 3.909 -9.088 -5.430 1.00 0.00 O ATOM 1486 CB LEU A 99 2.453 -8.125 -7.930 1.00 0.00 C ATOM 1487 CG LEU A 99 1.043 -8.662 -7.687 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.030 -7.528 -7.700 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.684 -9.712 -8.729 1.00 0.00 C ATOM 0 H LEU A 99 4.893 -7.440 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 99 2.434 -6.433 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.435 -7.509 -8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.111 -8.969 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 99 1.019 -9.132 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.968 -7.930 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.275 -6.812 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.056 -7.028 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.323 -10.083 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.726 -9.267 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.392 -10.539 -8.671 1.00 0.00 H new ATOM 1501 N TYR A 100 2.304 -7.785 -4.543 1.00 0.00 N ATOM 1502 CA TYR A 100 2.268 -8.504 -3.275 1.00 0.00 C ATOM 1503 C TYR A 100 0.915 -9.179 -3.071 1.00 0.00 C ATOM 1504 O TYR A 100 -0.132 -8.537 -3.157 1.00 0.00 O ATOM 1505 CB TYR A 100 2.555 -7.549 -2.115 1.00 0.00 C ATOM 1506 CG TYR A 100 3.935 -6.934 -2.164 1.00 0.00 C ATOM 1507 CD1 TYR A 100 5.067 -7.699 -1.913 1.00 0.00 C ATOM 1508 CD2 TYR A 100 4.107 -5.588 -2.463 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.330 -7.141 -1.956 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.366 -5.022 -2.510 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.475 -5.802 -2.255 1.00 0.00 C ATOM 1512 OH TYR A 100 7.731 -5.243 -2.300 1.00 0.00 O ATOM 0 H TYR A 100 1.651 -7.004 -4.603 1.00 0.00 H new ATOM 0 HA TYR A 100 3.038 -9.275 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.811 -6.752 -2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.440 -8.088 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.958 -8.748 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.241 -4.974 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.199 -7.750 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.482 -3.974 -2.745 1.00 0.00 H new ATOM 0 HH TYR A 100 7.658 -4.292 -2.525 1.00 0.00 H new ATOM 1522 N LEU A 101 0.946 -10.479 -2.797 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.277 -11.244 -2.579 1.00 0.00 C ATOM 1524 C LEU A 101 -0.438 -11.604 -1.105 1.00 0.00 C ATOM 1525 O LEU A 101 0.122 -12.594 -0.633 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.265 -12.516 -3.428 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.444 -13.468 -3.227 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.720 -12.867 -3.797 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.155 -14.817 -3.869 1.00 0.00 C ATOM 0 H LEU A 101 1.804 -11.025 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.122 -10.624 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.232 -12.227 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.656 -13.060 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.585 -13.619 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.548 -13.559 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.936 -11.926 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.591 -12.685 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.005 -15.482 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.987 -14.683 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.266 -15.254 -3.414 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.207 -10.796 -0.384 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.444 -11.031 1.036 1.00 0.00 C ATOM 1543 C LEU A 102 -2.800 -11.692 1.259 1.00 0.00 C ATOM 1544 O LEU A 102 -3.683 -11.626 0.404 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.372 -9.713 1.810 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.021 -8.999 1.794 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.083 -8.079 0.587 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.184 -8.215 3.082 1.00 0.00 C ATOM 0 H LEU A 102 -1.677 -9.972 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.668 -11.703 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.123 -9.035 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.645 -9.908 2.847 1.00 0.00 H new ATOM 0 HG LEU A 102 0.764 -9.752 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.052 -7.579 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.018 -8.665 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.710 -7.333 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.151 -7.713 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.607 -7.472 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.155 -8.897 3.932 1.00 0.00 H new ATOM 1560 N ALA A 103 -2.960 -12.327 2.416 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.210 -12.996 2.754 1.00 0.00 C ATOM 1562 C ALA A 103 -4.905 -12.304 3.922 1.00 0.00 C ATOM 1563 O ALA A 103 -4.256 -11.872 4.875 1.00 0.00 O ATOM 1564 CB ALA A 103 -3.953 -14.459 3.083 1.00 0.00 C ATOM 0 H ALA A 103 -2.239 -12.392 3.135 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.869 -12.940 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.895 -14.947 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.507 -14.953 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.272 -14.527 3.932 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.227 -12.201 3.841 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.010 -11.562 4.891 1.00 0.00 C ATOM 1572 C ALA A 104 -8.254 -12.378 5.222 1.00 0.00 C ATOM 1573 O ALA A 104 -8.839 -13.039 4.364 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.397 -10.150 4.477 1.00 0.00 C ATOM 0 H ALA A 104 -6.779 -12.552 3.058 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.393 -11.509 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.981 -9.685 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.496 -9.563 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.991 -10.189 3.564 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.670 -12.334 6.497 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.850 -13.064 6.970 1.00 0.00 C ATOM 1582 C PRO A 105 -11.149 -12.484 6.423 1.00 0.00 C ATOM 1583 O PRO A 105 -11.431 -11.299 6.595 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.786 -12.894 8.490 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.017 -11.635 8.698 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.022 -11.567 7.574 1.00 0.00 C ATOM 0 HA PRO A 105 -9.844 -14.104 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.784 -12.825 8.923 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.292 -13.743 8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.678 -10.768 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.514 -11.640 9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.826 -10.538 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.065 -12.004 7.858 1.00 0.00 H new ATOM 1594 N ALA A 106 -11.937 -13.327 5.764 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.208 -12.898 5.194 1.00 0.00 C ATOM 1596 C ALA A 106 -13.926 -11.925 6.124 1.00 0.00 C ATOM 1597 O ALA A 106 -14.703 -11.083 5.676 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.091 -14.103 4.905 1.00 0.00 C ATOM 0 H ALA A 106 -11.717 -14.311 5.612 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.001 -12.380 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.037 -13.767 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.588 -14.761 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.282 -14.645 5.831 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.661 -12.048 7.420 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.281 -11.179 8.412 1.00 0.00 C ATOM 1606 C ALA A 107 -13.857 -9.728 8.212 1.00 0.00 C ATOM 1607 O ALA A 107 -14.698 -8.836 8.103 1.00 0.00 O ATOM 1608 CB ALA A 107 -13.928 -11.645 9.817 1.00 0.00 C ATOM 0 H ALA A 107 -13.021 -12.741 7.808 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.362 -11.236 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.398 -10.987 10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.287 -12.664 9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.846 -11.619 9.948 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.548 -9.499 8.166 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.014 -8.155 7.981 1.00 0.00 C ATOM 1616 C GLU A 108 -11.868 -7.828 6.498 1.00 0.00 C ATOM 1617 O GLU A 108 -12.274 -6.758 6.045 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.660 -8.020 8.680 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.715 -8.300 10.173 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.445 -9.589 10.497 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -12.678 -9.540 10.687 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -10.783 -10.646 10.562 1.00 0.00 O ATOM 0 H GLU A 108 -11.839 -10.227 8.254 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.715 -7.448 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.951 -8.706 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.278 -7.012 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.700 -8.353 10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.210 -7.470 10.677 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.284 -8.756 5.747 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.082 -8.566 4.316 1.00 0.00 C ATOM 1631 C ARG A 109 -12.221 -7.752 3.710 1.00 0.00 C ATOM 1632 O ARG A 109 -11.990 -6.798 2.968 1.00 0.00 O ATOM 1633 CB ARG A 109 -10.975 -9.919 3.610 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.540 -9.816 2.158 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.718 -9.522 1.242 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.773 -10.524 1.369 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.915 -10.478 0.693 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -14.149 -9.485 -0.153 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -14.827 -11.427 0.863 1.00 0.00 N ATOM 0 H ARG A 109 -10.942 -9.647 6.106 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.151 -8.017 4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.265 -10.545 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.942 -10.421 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.793 -9.029 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.064 -10.748 1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.123 -8.538 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.374 -9.487 0.208 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.624 -11.302 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.451 -8.753 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.027 -9.452 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.651 -12.193 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.704 -11.391 0.343 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.453 -8.138 4.030 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.610 -7.434 3.508 1.00 0.00 C ATOM 1655 C GLY A 110 -14.451 -5.928 3.575 1.00 0.00 C ATOM 1656 O GLY A 110 -14.686 -5.228 2.590 1.00 0.00 O ATOM 0 H GLY A 110 -13.670 -8.925 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -14.777 -7.733 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.495 -7.728 4.072 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.054 -5.428 4.740 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.866 -3.995 4.933 1.00 0.00 C ATOM 1662 C ASP A 111 -12.510 -3.548 4.394 1.00 0.00 C ATOM 1663 O ASP A 111 -12.420 -2.575 3.645 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.981 -3.638 6.416 1.00 0.00 C ATOM 1665 CG ASP A 111 -14.121 -2.146 6.643 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -13.567 -1.369 5.838 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -14.783 -1.755 7.627 1.00 0.00 O ATOM 0 H ASP A 111 -13.856 -5.994 5.565 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.648 -3.474 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.843 -4.150 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.099 -4.002 6.944 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.461 -4.264 4.779 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.110 -3.940 4.335 1.00 0.00 C ATOM 1674 C TRP A 112 -10.119 -3.411 2.906 1.00 0.00 C ATOM 1675 O TRP A 112 -9.818 -2.242 2.664 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.210 -5.174 4.430 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.532 -5.314 5.759 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.614 -6.376 6.613 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.669 -4.358 6.385 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.855 -6.139 7.733 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.264 -4.908 7.618 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.198 -3.093 6.025 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.412 -4.234 8.489 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.353 -2.426 6.891 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.966 -2.997 8.110 1.00 0.00 C ATOM 0 H TRP A 112 -11.519 -5.073 5.398 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.717 -3.161 4.988 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.807 -6.066 4.239 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.453 -5.124 3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.191 -7.271 6.434 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.749 -6.776 8.522 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.489 -2.645 5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.114 -4.672 9.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.984 -1.447 6.623 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.303 -2.450 8.764 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.467 -4.278 1.960 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.516 -3.896 0.554 1.00 0.00 C ATOM 1698 C VAL A 113 -11.256 -2.576 0.368 1.00 0.00 C ATOM 1699 O VAL A 113 -10.835 -1.722 -0.411 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.202 -4.981 -0.298 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.447 -4.474 -1.712 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.366 -6.251 -0.316 1.00 0.00 C ATOM 0 H VAL A 113 -10.719 -5.249 2.142 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.485 -3.780 0.221 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.167 -5.215 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.932 -5.254 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.089 -3.594 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.496 -4.211 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.865 -7.007 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.385 -6.035 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.247 -6.623 0.702 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.362 -2.418 1.089 1.00 0.00 N ATOM 1713 CA GLN A 114 -13.161 -1.201 1.004 1.00 0.00 C ATOM 1714 C GLN A 114 -12.341 0.019 1.410 1.00 0.00 C ATOM 1715 O GLN A 114 -12.207 0.972 0.644 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.400 -1.317 1.892 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.399 -0.188 1.693 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.742 -0.477 2.334 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.402 -1.462 2.002 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.155 0.382 3.258 1.00 0.00 N ATOM 0 H GLN A 114 -12.725 -3.117 1.738 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.476 -1.075 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.894 -2.268 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.088 -1.335 2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.991 0.731 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.540 -0.016 0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.576 1.185 3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.051 0.239 3.723 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.794 -0.019 2.621 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.986 1.083 3.129 1.00 0.00 C ATOM 1731 C ALA A 115 -9.745 1.295 2.269 1.00 0.00 C ATOM 1732 O ALA A 115 -9.599 2.330 1.618 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.591 0.825 4.575 1.00 0.00 C ATOM 0 H ALA A 115 -11.896 -0.801 3.268 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.586 1.992 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.988 1.656 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.489 0.731 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.013 -0.097 4.635 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.853 0.310 2.272 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.625 0.389 1.491 1.00 0.00 C ATOM 1741 C ILE A 116 -7.879 1.031 0.131 1.00 0.00 C ATOM 1742 O ILE A 116 -7.078 1.836 -0.346 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.000 -1.003 1.281 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.651 -1.637 2.629 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.763 -0.900 0.402 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.259 -3.095 2.527 1.00 0.00 C ATOM 0 H ILE A 116 -8.958 -0.552 2.807 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.930 1.008 2.058 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.727 -1.640 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.831 -1.080 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.507 -1.545 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.332 -1.891 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.039 -0.485 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.030 -0.250 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.025 -3.479 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.086 -3.665 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.384 -3.192 1.885 1.00 0.00 H new ATOM 1758 N CYS A 117 -8.997 0.670 -0.488 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.358 1.211 -1.793 1.00 0.00 C ATOM 1760 C CYS A 117 -9.876 2.639 -1.666 1.00 0.00 C ATOM 1761 O CYS A 117 -9.635 3.479 -2.534 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.415 0.329 -2.460 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.978 0.938 -4.066 1.00 0.00 S ATOM 0 H CYS A 117 -9.670 0.005 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.462 1.223 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.008 -0.674 -2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.274 0.243 -1.794 1.00 0.00 H new ATOM 0 HG CYS A 117 -10.663 2.193 -4.189 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.591 2.909 -0.579 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.146 4.236 -0.337 1.00 0.00 C ATOM 1771 C LEU A 118 -10.035 5.270 -0.181 1.00 0.00 C ATOM 1772 O LEU A 118 -10.188 6.426 -0.579 1.00 0.00 O ATOM 1773 CB LEU A 118 -12.025 4.223 0.914 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.465 3.746 0.717 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.088 3.366 2.051 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -14.293 4.820 0.027 1.00 0.00 C ATOM 0 H LEU A 118 -10.800 2.226 0.149 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.755 4.511 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.551 3.585 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.051 5.232 1.326 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.451 2.861 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.112 3.029 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.509 2.563 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.090 4.233 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.314 4.463 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.300 5.723 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.859 5.045 -0.947 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.917 4.847 0.398 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.779 5.736 0.604 1.00 0.00 C ATOM 1790 C LEU A 119 -6.760 5.587 -0.521 1.00 0.00 C ATOM 1791 O LEU A 119 -6.349 6.571 -1.134 1.00 0.00 O ATOM 1792 CB LEU A 119 -7.115 5.442 1.951 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.791 6.052 3.180 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -7.272 5.402 4.452 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.568 7.557 3.218 1.00 0.00 C ATOM 0 H LEU A 119 -8.774 3.894 0.733 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.146 6.762 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.072 4.361 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.086 5.800 1.912 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.863 5.865 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.764 5.849 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.483 4.333 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.196 5.557 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.056 7.975 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.499 7.765 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.989 8.010 2.321 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.358 4.348 -0.788 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.391 4.070 -1.842 1.00 0.00 C ATOM 1809 C ALA A 120 -5.785 4.758 -3.144 1.00 0.00 C ATOM 1810 O ALA A 120 -4.929 5.105 -3.959 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.260 2.569 -2.055 1.00 0.00 C ATOM 0 H ALA A 120 -6.687 3.522 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.425 4.468 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.534 2.376 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.924 2.098 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.227 2.156 -2.342 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.085 4.952 -3.336 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.593 5.598 -4.541 1.00 0.00 C ATOM 1819 C PHE A 121 -8.571 6.715 -4.189 1.00 0.00 C ATOM 1820 O PHE A 121 -9.599 6.884 -4.844 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.278 4.571 -5.445 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.471 3.321 -5.651 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.300 2.413 -4.618 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.883 3.054 -6.877 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.559 1.262 -4.804 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.141 1.904 -7.069 1.00 0.00 C ATOM 1827 CZ PHE A 121 -5.978 1.007 -6.031 1.00 0.00 C ATOM 0 H PHE A 121 -7.807 4.671 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.748 6.034 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.242 4.304 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.479 5.028 -6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.751 2.608 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -7.006 3.752 -7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.434 0.562 -3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.689 1.707 -8.030 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.398 0.108 -6.179 1.00 0.00 H new