USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 CYS SG : rot 56:sc= -0.633 USER MOD Set 1.2: A 69 MET CE :methyl -176:sc= -0.188 (180deg=-0.268) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.855 K(o=0.067,f=-1.2) USER MOD Set 2.2: A 78 MET CE :methyl 164:sc= -0.789 (180deg=-1.65!) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 1.05 (180deg=0.879) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.147 X(o=0.15,f=-0.045) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.399 K(o=0.4,f=-1.5!) USER MOD Single : A 44 HIS : no HD1:sc=-0.00868 X(o=-0.0087,f=-0.0087) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.0024 (180deg=-0.159) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0.681) USER MOD Single : A 77 SER OG : rot 180:sc= -0.039 USER MOD Single : A 80 HIS : no HD1:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 82 TYR OH : rot 139:sc= 0.221 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.026 USER MOD Single : A 89 HIS : no HD1:sc= -0.378 K(o=-0.38,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -106:sc= -0.293 (180deg=-1.46) USER MOD Single : A 98 LYS NZ :NH3+ 172:sc= 0.335 (180deg=0.218) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.903 -4.273 1.570 1.00 0.00 N ATOM 127 CA PHE A 11 -12.066 -3.173 0.637 1.00 0.00 C ATOM 128 C PHE A 11 -10.926 -2.181 0.840 1.00 0.00 C ATOM 129 O PHE A 11 -11.081 -0.987 0.608 1.00 0.00 O ATOM 130 CB PHE A 11 -13.444 -2.517 0.752 1.00 0.00 C ATOM 131 CG PHE A 11 -14.648 -3.425 0.926 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.579 -4.806 0.681 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.860 -2.861 1.346 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.704 -5.615 0.883 1.00 0.00 C ATOM 135 CE2 PHE A 11 -16.992 -3.666 1.529 1.00 0.00 C ATOM 136 CZ PHE A 11 -16.913 -5.046 1.303 1.00 0.00 C ATOM 0 HA PHE A 11 -12.018 -3.558 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.418 -1.829 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.604 -1.916 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.655 -5.246 0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.922 -1.799 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.639 -6.680 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.925 -3.223 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.782 -5.670 1.452 1.00 0.00 H new ATOM 146 N VAL A 12 -9.774 -2.691 1.282 1.00 0.00 N ATOM 147 CA VAL A 12 -8.560 -1.913 1.463 1.00 0.00 C ATOM 148 C VAL A 12 -7.402 -2.762 0.963 1.00 0.00 C ATOM 149 O VAL A 12 -7.412 -3.982 1.131 1.00 0.00 O ATOM 150 CB VAL A 12 -8.335 -1.573 2.944 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.159 -0.606 3.093 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.569 -0.936 3.581 1.00 0.00 C ATOM 0 H VAL A 12 -9.664 -3.675 1.527 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.638 -0.975 0.914 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.124 -2.513 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.011 -0.373 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.256 -1.067 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.371 0.312 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.364 -0.713 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.815 -0.014 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.410 -1.627 3.515 1.00 0.00 H new ATOM 162 N VAL A 13 -6.406 -2.126 0.350 1.00 0.00 N ATOM 163 CA VAL A 13 -5.228 -2.841 -0.121 1.00 0.00 C ATOM 164 C VAL A 13 -3.955 -2.049 0.139 1.00 0.00 C ATOM 165 O VAL A 13 -3.987 -0.838 0.343 1.00 0.00 O ATOM 166 CB VAL A 13 -5.342 -3.165 -1.615 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.485 -4.144 -1.872 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.559 -1.904 -2.452 1.00 0.00 C ATOM 0 H VAL A 13 -6.393 -1.122 0.170 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.174 -3.774 0.439 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.398 -3.621 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.547 -4.359 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.302 -5.069 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.424 -3.704 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.635 -2.175 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.479 -1.412 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.718 -1.225 -2.312 1.00 0.00 H new ATOM 178 N LYS A 14 -2.830 -2.763 0.126 1.00 0.00 N ATOM 179 CA LYS A 14 -1.504 -2.184 0.268 1.00 0.00 C ATOM 180 C LYS A 14 -0.911 -1.939 -1.114 1.00 0.00 C ATOM 181 O LYS A 14 -1.363 -2.533 -2.092 1.00 0.00 O ATOM 182 CB LYS A 14 -0.594 -3.154 1.028 1.00 0.00 C ATOM 183 CG LYS A 14 -1.309 -3.826 2.202 1.00 0.00 C ATOM 184 CD LYS A 14 -0.298 -4.650 2.995 1.00 0.00 C ATOM 185 CE LYS A 14 -1.013 -5.514 4.032 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.043 -6.303 4.812 1.00 0.00 N ATOM 0 H LYS A 14 -2.819 -3.777 0.014 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.581 -1.245 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.229 -3.919 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.279 -2.615 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.767 -3.074 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.112 -4.466 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.276 -5.283 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.412 -3.988 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.595 -4.880 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.716 -6.182 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.552 -6.957 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.563 -6.846 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.546 -5.663 5.383 1.00 0.00 H new ATOM 200 N LEU A 15 0.097 -1.070 -1.196 1.00 0.00 N ATOM 201 CA LEU A 15 0.815 -0.796 -2.426 1.00 0.00 C ATOM 202 C LEU A 15 2.315 -0.773 -2.125 1.00 0.00 C ATOM 203 O LEU A 15 2.735 -0.273 -1.081 1.00 0.00 O ATOM 204 CB LEU A 15 0.323 0.557 -2.941 1.00 0.00 C ATOM 205 CG LEU A 15 0.289 0.712 -4.461 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.633 0.424 -5.125 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.775 -0.193 -5.081 1.00 0.00 C ATOM 0 H LEU A 15 0.436 -0.534 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 15 0.640 -1.558 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.681 0.730 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.963 1.337 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 15 0.044 1.758 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.541 0.552 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.384 1.114 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.935 -0.600 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.778 -0.063 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.553 -1.233 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.754 0.070 -4.681 1.00 0.00 H new ATOM 219 N ARG A 16 3.120 -1.317 -3.041 1.00 0.00 N ATOM 220 CA ARG A 16 4.557 -1.473 -2.865 1.00 0.00 C ATOM 221 C ARG A 16 5.229 -1.496 -4.239 1.00 0.00 C ATOM 222 O ARG A 16 4.557 -1.703 -5.248 1.00 0.00 O ATOM 223 CB ARG A 16 4.758 -2.794 -2.112 1.00 0.00 C ATOM 224 CG ARG A 16 6.193 -3.081 -1.666 1.00 0.00 C ATOM 225 CD ARG A 16 6.164 -4.427 -0.938 1.00 0.00 C ATOM 226 NE ARG A 16 7.452 -4.758 -0.318 1.00 0.00 N ATOM 227 CZ ARG A 16 7.970 -5.991 -0.277 1.00 0.00 C ATOM 228 NH1 ARG A 16 7.384 -7.013 -0.899 1.00 0.00 N ATOM 229 NH2 ARG A 16 9.095 -6.212 0.397 1.00 0.00 N ATOM 0 H ARG A 16 2.782 -1.665 -3.938 1.00 0.00 H new ATOM 0 HA ARG A 16 5.001 -0.652 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.115 -2.793 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.423 -3.612 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.865 -3.119 -2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.559 -2.293 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.390 -4.405 -0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.891 -5.212 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 16 7.986 -4.001 0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.521 -6.865 -1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.799 -7.944 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.560 -5.443 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.493 -7.150 0.431 1.00 0.00 H new ATOM 243 N GLY A 17 6.547 -1.284 -4.294 1.00 0.00 N ATOM 244 CA GLY A 17 7.283 -1.342 -5.549 1.00 0.00 C ATOM 245 C GLY A 17 7.652 0.046 -6.064 1.00 0.00 C ATOM 246 O GLY A 17 7.593 1.022 -5.316 1.00 0.00 O ATOM 0 H GLY A 17 7.122 -1.071 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.191 -1.929 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.682 -1.858 -6.298 1.00 0.00 H new ATOM 250 N LEU A 18 8.030 0.114 -7.347 1.00 0.00 N ATOM 251 CA LEU A 18 8.370 1.342 -8.060 1.00 0.00 C ATOM 252 C LEU A 18 9.695 1.907 -7.545 1.00 0.00 C ATOM 253 O LEU A 18 10.224 1.387 -6.565 1.00 0.00 O ATOM 254 CB LEU A 18 7.208 2.345 -7.964 1.00 0.00 C ATOM 255 CG LEU A 18 5.936 1.808 -8.621 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.855 2.884 -8.586 1.00 0.00 C ATOM 257 CD2 LEU A 18 6.219 1.425 -10.073 1.00 0.00 C ATOM 0 H LEU A 18 8.109 -0.717 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 18 8.516 1.127 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.008 2.570 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.496 3.281 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 18 5.598 0.926 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.947 2.503 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.644 3.154 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.200 3.765 -9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.307 1.044 -10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.562 2.303 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.990 0.655 -10.103 1.00 0.00 H new ATOM 269 N PRO A 19 10.245 2.956 -8.180 1.00 0.00 N ATOM 270 CA PRO A 19 11.426 3.697 -7.739 1.00 0.00 C ATOM 271 C PRO A 19 11.331 4.298 -6.327 1.00 0.00 C ATOM 272 O PRO A 19 11.966 5.319 -6.061 1.00 0.00 O ATOM 273 CB PRO A 19 11.627 4.802 -8.780 1.00 0.00 C ATOM 274 CG PRO A 19 10.949 4.250 -10.028 1.00 0.00 C ATOM 275 CD PRO A 19 9.756 3.518 -9.427 1.00 0.00 C ATOM 0 HA PRO A 19 12.267 3.007 -7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.174 5.741 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.685 5.001 -8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.643 5.041 -10.712 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.602 3.580 -10.587 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.923 4.199 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.395 2.737 -10.096 1.00 0.00 H new ATOM 283 N TRP A 20 10.554 3.690 -5.422 1.00 0.00 N ATOM 284 CA TRP A 20 10.324 4.193 -4.076 1.00 0.00 C ATOM 285 C TRP A 20 9.886 5.661 -4.102 1.00 0.00 C ATOM 286 O TRP A 20 10.193 6.435 -3.198 1.00 0.00 O ATOM 287 CB TRP A 20 11.531 3.888 -3.173 1.00 0.00 C ATOM 288 CG TRP A 20 11.579 2.502 -2.589 1.00 0.00 C ATOM 289 CD1 TRP A 20 10.507 1.716 -2.336 1.00 0.00 C ATOM 290 CD2 TRP A 20 12.741 1.713 -2.162 1.00 0.00 C ATOM 291 NE1 TRP A 20 10.912 0.531 -1.762 1.00 0.00 N ATOM 292 CE2 TRP A 20 12.281 0.481 -1.612 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.136 1.917 -2.163 1.00 0.00 C ATOM 294 CZ2 TRP A 20 13.147 -0.474 -1.066 1.00 0.00 C ATOM 295 CZ3 TRP A 20 15.011 0.947 -1.644 1.00 0.00 C ATOM 296 CH2 TRP A 20 14.524 -0.241 -1.098 1.00 0.00 C ATOM 0 H TRP A 20 10.061 2.818 -5.616 1.00 0.00 H new ATOM 0 HA TRP A 20 9.485 3.664 -3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.442 4.051 -3.749 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.539 4.607 -2.354 1.00 0.00 H new ATOM 0 HD1 TRP A 20 9.482 1.980 -2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.277 -0.217 -1.483 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.539 2.833 -2.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.756 -1.379 -0.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.076 1.124 -1.668 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.208 -0.977 -0.702 1.00 0.00 H new ATOM 307 N SER A 21 9.159 6.032 -5.161 1.00 0.00 N ATOM 308 CA SER A 21 8.535 7.335 -5.317 1.00 0.00 C ATOM 309 C SER A 21 7.298 7.162 -6.192 1.00 0.00 C ATOM 310 O SER A 21 7.341 6.433 -7.182 1.00 0.00 O ATOM 311 CB SER A 21 9.525 8.303 -5.967 1.00 0.00 C ATOM 312 OG SER A 21 8.925 9.573 -6.107 1.00 0.00 O ATOM 0 H SER A 21 8.988 5.411 -5.952 1.00 0.00 H new ATOM 0 HA SER A 21 8.247 7.745 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.426 8.381 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.831 7.925 -6.942 1.00 0.00 H new ATOM 0 HG SER A 21 9.562 10.192 -6.522 1.00 0.00 H new ATOM 318 N CYS A 22 6.193 7.826 -5.837 1.00 0.00 N ATOM 319 CA CYS A 22 4.928 7.671 -6.542 1.00 0.00 C ATOM 320 C CYS A 22 3.987 8.834 -6.214 1.00 0.00 C ATOM 321 O CYS A 22 4.303 9.676 -5.371 1.00 0.00 O ATOM 322 CB CYS A 22 4.314 6.333 -6.111 1.00 0.00 C ATOM 323 SG CYS A 22 2.935 5.883 -7.195 1.00 0.00 S ATOM 0 H CYS A 22 6.156 8.481 -5.056 1.00 0.00 H new ATOM 0 HA CYS A 22 5.089 7.678 -7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.074 5.553 -6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.965 6.402 -5.081 1.00 0.00 H new ATOM 0 HG CYS A 22 2.434 4.747 -6.811 1.00 0.00 H new ATOM 329 N SER A 23 2.828 8.877 -6.880 1.00 0.00 N ATOM 330 CA SER A 23 1.800 9.888 -6.664 1.00 0.00 C ATOM 331 C SER A 23 0.421 9.244 -6.781 1.00 0.00 C ATOM 332 O SER A 23 0.287 8.145 -7.321 1.00 0.00 O ATOM 333 CB SER A 23 1.942 11.014 -7.690 1.00 0.00 C ATOM 334 OG SER A 23 3.210 11.627 -7.583 1.00 0.00 O ATOM 0 H SER A 23 2.578 8.195 -7.596 1.00 0.00 H new ATOM 0 HA SER A 23 1.918 10.311 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.808 10.616 -8.696 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.159 11.756 -7.534 1.00 0.00 H new ATOM 0 HG SER A 23 3.284 12.344 -8.247 1.00 0.00 H new ATOM 340 N VAL A 24 -0.614 9.922 -6.277 1.00 0.00 N ATOM 341 CA VAL A 24 -1.956 9.352 -6.222 1.00 0.00 C ATOM 342 C VAL A 24 -2.539 9.101 -7.612 1.00 0.00 C ATOM 343 O VAL A 24 -3.471 8.313 -7.751 1.00 0.00 O ATOM 344 CB VAL A 24 -2.902 10.218 -5.368 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.159 11.261 -4.535 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.963 10.949 -6.184 1.00 0.00 C ATOM 0 H VAL A 24 -0.544 10.868 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.863 8.380 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.389 9.496 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.876 11.841 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.465 10.760 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.604 11.927 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.592 11.539 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.478 11.609 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.578 10.223 -6.715 1.00 0.00 H new ATOM 356 N GLU A 25 -2.004 9.761 -8.642 1.00 0.00 N ATOM 357 CA GLU A 25 -2.511 9.613 -9.996 1.00 0.00 C ATOM 358 C GLU A 25 -1.954 8.365 -10.673 1.00 0.00 C ATOM 359 O GLU A 25 -2.578 7.843 -11.594 1.00 0.00 O ATOM 360 CB GLU A 25 -2.130 10.843 -10.817 1.00 0.00 C ATOM 361 CG GLU A 25 -2.768 12.104 -10.232 1.00 0.00 C ATOM 362 CD GLU A 25 -2.455 13.323 -11.099 1.00 0.00 C ATOM 363 OE1 GLU A 25 -3.242 13.581 -12.036 1.00 0.00 O ATOM 364 OE2 GLU A 25 -1.433 13.985 -10.817 1.00 0.00 O ATOM 0 H GLU A 25 -1.217 10.404 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.595 9.513 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.046 10.953 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.454 10.711 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.847 11.971 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.399 12.268 -9.220 1.00 0.00 H new ATOM 371 N ASP A 26 -0.790 7.878 -10.231 1.00 0.00 N ATOM 372 CA ASP A 26 -0.189 6.693 -10.824 1.00 0.00 C ATOM 373 C ASP A 26 -0.774 5.433 -10.195 1.00 0.00 C ATOM 374 O ASP A 26 -0.958 4.427 -10.881 1.00 0.00 O ATOM 375 CB ASP A 26 1.323 6.728 -10.607 1.00 0.00 C ATOM 376 CG ASP A 26 1.956 7.922 -11.316 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.011 7.887 -12.565 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.379 8.861 -10.605 1.00 0.00 O ATOM 0 H ASP A 26 -0.252 8.288 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.403 6.681 -11.893 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.539 6.780 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.767 5.804 -10.978 1.00 0.00 H new ATOM 383 N VAL A 27 -1.070 5.476 -8.894 1.00 0.00 N ATOM 384 CA VAL A 27 -1.645 4.334 -8.202 1.00 0.00 C ATOM 385 C VAL A 27 -3.082 4.090 -8.661 1.00 0.00 C ATOM 386 O VAL A 27 -3.499 2.938 -8.765 1.00 0.00 O ATOM 387 CB VAL A 27 -1.546 4.553 -6.689 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.369 5.752 -6.228 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.006 3.319 -5.922 1.00 0.00 C ATOM 0 H VAL A 27 -0.918 6.293 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.083 3.434 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.494 4.747 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.269 5.869 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.010 6.653 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.417 5.592 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.924 3.505 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.044 3.100 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.380 2.469 -6.192 1.00 0.00 H new ATOM 399 N GLN A 28 -3.851 5.150 -8.939 1.00 0.00 N ATOM 400 CA GLN A 28 -5.201 4.969 -9.457 1.00 0.00 C ATOM 401 C GLN A 28 -5.171 4.555 -10.929 1.00 0.00 C ATOM 402 O GLN A 28 -6.094 3.895 -11.401 1.00 0.00 O ATOM 403 CB GLN A 28 -6.020 6.247 -9.260 1.00 0.00 C ATOM 404 CG GLN A 28 -5.482 7.425 -10.070 1.00 0.00 C ATOM 405 CD GLN A 28 -6.274 8.692 -9.766 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.130 9.103 -10.544 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.991 9.320 -8.627 1.00 0.00 N ATOM 0 H GLN A 28 -3.564 6.121 -8.815 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.681 4.165 -8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.055 6.058 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.025 6.511 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.429 7.583 -9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.542 7.199 -11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.273 8.949 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.492 10.172 -8.376 1.00 0.00 H new ATOM 416 N ASN A 29 -4.114 4.937 -11.656 1.00 0.00 N ATOM 417 CA ASN A 29 -3.919 4.512 -13.035 1.00 0.00 C ATOM 418 C ASN A 29 -3.617 3.012 -13.110 1.00 0.00 C ATOM 419 O ASN A 29 -3.872 2.385 -14.137 1.00 0.00 O ATOM 420 CB ASN A 29 -2.774 5.337 -13.637 1.00 0.00 C ATOM 421 CG ASN A 29 -1.769 4.491 -14.409 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.860 4.348 -15.625 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.802 3.928 -13.690 1.00 0.00 N ATOM 0 H ASN A 29 -3.377 5.546 -11.301 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.832 4.681 -13.606 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.190 6.093 -14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.256 5.866 -12.837 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.097 3.350 -14.147 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.765 4.074 -12.681 1.00 0.00 H new ATOM 430 N PHE A 30 -3.077 2.438 -12.032 1.00 0.00 N ATOM 431 CA PHE A 30 -2.675 1.039 -12.014 1.00 0.00 C ATOM 432 C PHE A 30 -3.768 0.139 -11.436 1.00 0.00 C ATOM 433 O PHE A 30 -3.779 -1.063 -11.696 1.00 0.00 O ATOM 434 CB PHE A 30 -1.381 0.937 -11.213 1.00 0.00 C ATOM 435 CG PHE A 30 -0.853 -0.469 -11.063 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.232 -1.113 -12.143 1.00 0.00 C ATOM 437 CD2 PHE A 30 -0.986 -1.129 -9.836 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.252 -2.420 -11.993 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.513 -2.439 -9.690 1.00 0.00 C ATOM 440 CZ PHE A 30 0.111 -3.083 -10.767 1.00 0.00 C ATOM 0 H PHE A 30 -2.909 2.931 -11.155 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.512 0.689 -13.033 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.619 1.549 -11.696 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.547 1.358 -10.221 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.127 -0.603 -13.089 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.454 -0.628 -9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.734 -2.916 -12.823 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.629 -2.953 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.483 -4.090 -10.652 1.00 0.00 H new ATOM 450 N LEU A 31 -4.688 0.709 -10.654 1.00 0.00 N ATOM 451 CA LEU A 31 -5.854 0.002 -10.137 1.00 0.00 C ATOM 452 C LEU A 31 -7.062 0.416 -10.970 1.00 0.00 C ATOM 453 O LEU A 31 -8.019 0.998 -10.459 1.00 0.00 O ATOM 454 CB LEU A 31 -6.061 0.296 -8.648 1.00 0.00 C ATOM 455 CG LEU A 31 -5.221 -0.595 -7.724 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.751 -0.652 -8.113 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.340 -0.065 -6.299 1.00 0.00 C ATOM 0 H LEU A 31 -4.640 1.685 -10.361 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.709 -1.075 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.815 1.340 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.115 0.167 -8.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.609 -1.610 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.216 -1.299 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.657 -1.049 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.326 0.351 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.748 -0.688 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.973 0.961 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.384 -0.088 -5.988 1.00 0.00 H new ATOM 469 N SER A 32 -7.011 0.111 -12.267 1.00 0.00 N ATOM 470 CA SER A 32 -8.091 0.405 -13.189 1.00 0.00 C ATOM 471 C SER A 32 -9.417 -0.155 -12.678 1.00 0.00 C ATOM 472 O SER A 32 -9.453 -1.135 -11.934 1.00 0.00 O ATOM 473 CB SER A 32 -7.745 -0.164 -14.565 1.00 0.00 C ATOM 474 OG SER A 32 -7.482 -1.550 -14.472 1.00 0.00 O ATOM 0 H SER A 32 -6.212 -0.349 -12.703 1.00 0.00 H new ATOM 0 HA SER A 32 -8.209 1.486 -13.270 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.570 0.011 -15.256 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.875 0.352 -14.971 1.00 0.00 H new ATOM 0 HG SER A 32 -7.264 -1.902 -15.360 1.00 0.00 H new ATOM 480 N ASP A 33 -10.507 0.491 -13.098 1.00 0.00 N ATOM 481 CA ASP A 33 -11.882 0.168 -12.731 1.00 0.00 C ATOM 482 C ASP A 33 -12.169 0.195 -11.223 1.00 0.00 C ATOM 483 O ASP A 33 -13.310 -0.036 -10.827 1.00 0.00 O ATOM 484 CB ASP A 33 -12.287 -1.171 -13.354 1.00 0.00 C ATOM 485 CG ASP A 33 -12.137 -1.150 -14.872 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.945 -0.447 -15.522 1.00 0.00 O ATOM 487 OD2 ASP A 33 -11.216 -1.832 -15.374 1.00 0.00 O ATOM 0 H ASP A 33 -10.450 1.289 -13.731 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.500 0.968 -13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.671 -1.968 -12.938 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.321 -1.397 -13.093 1.00 0.00 H new ATOM 492 N CYS A 34 -11.174 0.469 -10.370 1.00 0.00 N ATOM 493 CA CYS A 34 -11.406 0.604 -8.939 1.00 0.00 C ATOM 494 C CYS A 34 -12.095 1.939 -8.642 1.00 0.00 C ATOM 495 O CYS A 34 -12.354 2.729 -9.551 1.00 0.00 O ATOM 496 CB CYS A 34 -10.072 0.480 -8.201 1.00 0.00 C ATOM 497 SG CYS A 34 -9.445 -1.205 -8.438 1.00 0.00 S ATOM 0 H CYS A 34 -10.203 0.600 -10.653 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.067 -0.189 -8.591 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.357 1.208 -8.584 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.204 0.690 -7.140 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.347 -1.457 -9.710 1.00 0.00 H new ATOM 503 N THR A 35 -12.392 2.192 -7.364 1.00 0.00 N ATOM 504 CA THR A 35 -13.118 3.388 -6.945 1.00 0.00 C ATOM 505 C THR A 35 -12.336 4.200 -5.916 1.00 0.00 C ATOM 506 O THR A 35 -12.605 5.382 -5.707 1.00 0.00 O ATOM 507 CB THR A 35 -14.492 2.959 -6.421 1.00 0.00 C ATOM 508 OG1 THR A 35 -15.321 2.618 -7.511 1.00 0.00 O ATOM 509 CG2 THR A 35 -15.168 4.055 -5.606 1.00 0.00 C ATOM 0 H THR A 35 -12.135 1.573 -6.595 1.00 0.00 H new ATOM 0 HA THR A 35 -13.250 4.052 -7.799 1.00 0.00 H new ATOM 0 HB THR A 35 -14.340 2.102 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.201 2.341 -7.179 1.00 0.00 H new ATOM 0 HG21 THR A 35 -16.139 3.703 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.544 4.308 -4.749 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.305 4.939 -6.229 1.00 0.00 H new ATOM 517 N ILE A 36 -11.365 3.553 -5.280 1.00 0.00 N ATOM 518 CA ILE A 36 -10.409 4.183 -4.377 1.00 0.00 C ATOM 519 C ILE A 36 -11.103 4.965 -3.255 1.00 0.00 C ATOM 520 O ILE A 36 -10.536 5.886 -2.676 1.00 0.00 O ATOM 521 CB ILE A 36 -9.433 4.995 -5.233 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.732 4.052 -6.218 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.360 5.699 -4.402 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.559 4.770 -7.549 1.00 0.00 C ATOM 0 H ILE A 36 -11.218 2.549 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.832 3.438 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.015 5.760 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.762 3.749 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.319 3.144 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.697 6.259 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.835 6.384 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.782 4.957 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.061 4.108 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.537 5.051 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.955 5.666 -7.403 1.00 0.00 H new ATOM 536 N HIS A 37 -12.348 4.585 -2.950 1.00 0.00 N ATOM 537 CA HIS A 37 -13.184 5.167 -1.906 1.00 0.00 C ATOM 538 C HIS A 37 -13.605 6.613 -2.201 1.00 0.00 C ATOM 539 O HIS A 37 -14.765 6.959 -1.984 1.00 0.00 O ATOM 540 CB HIS A 37 -12.467 5.013 -0.567 1.00 0.00 C ATOM 541 CG HIS A 37 -13.379 5.191 0.613 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.027 4.189 1.298 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.721 6.374 1.205 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.741 4.763 2.283 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.589 6.099 2.270 1.00 0.00 N ATOM 0 H HIS A 37 -12.817 3.829 -3.449 1.00 0.00 H new ATOM 0 HA HIS A 37 -14.128 4.624 -1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.008 4.025 -0.519 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.659 5.743 -0.508 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.975 3.191 1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.380 7.354 0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.354 4.223 2.990 1.00 0.00 H new ATOM 553 N ASP A 38 -12.686 7.452 -2.690 1.00 0.00 N ATOM 554 CA ASP A 38 -12.973 8.804 -3.158 1.00 0.00 C ATOM 555 C ASP A 38 -11.968 9.251 -4.227 1.00 0.00 C ATOM 556 O ASP A 38 -12.050 10.382 -4.705 1.00 0.00 O ATOM 557 CB ASP A 38 -12.924 9.808 -2.000 1.00 0.00 C ATOM 558 CG ASP A 38 -14.126 9.710 -1.065 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.262 9.869 -1.567 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.903 9.478 0.144 1.00 0.00 O ATOM 0 H ASP A 38 -11.701 7.200 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.975 8.782 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.012 9.646 -1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.870 10.818 -2.406 1.00 0.00 H new ATOM 565 N GLY A 39 -11.020 8.391 -4.615 1.00 0.00 N ATOM 566 CA GLY A 39 -10.003 8.764 -5.587 1.00 0.00 C ATOM 567 C GLY A 39 -8.847 9.474 -4.893 1.00 0.00 C ATOM 568 O GLY A 39 -8.199 8.913 -4.012 1.00 0.00 O ATOM 0 H GLY A 39 -10.941 7.435 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.637 7.875 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.436 9.415 -6.346 1.00 0.00 H new ATOM 572 N ALA A 40 -8.594 10.719 -5.299 1.00 0.00 N ATOM 573 CA ALA A 40 -7.557 11.569 -4.730 1.00 0.00 C ATOM 574 C ALA A 40 -7.797 11.883 -3.248 1.00 0.00 C ATOM 575 O ALA A 40 -7.059 12.671 -2.658 1.00 0.00 O ATOM 576 CB ALA A 40 -7.491 12.855 -5.547 1.00 0.00 C ATOM 0 H ALA A 40 -9.118 11.171 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.608 11.035 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.720 13.507 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.251 12.616 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.455 13.362 -5.505 1.00 0.00 H new ATOM 582 N ALA A 41 -8.823 11.273 -2.647 1.00 0.00 N ATOM 583 CA ALA A 41 -9.168 11.455 -1.246 1.00 0.00 C ATOM 584 C ALA A 41 -9.268 10.111 -0.521 1.00 0.00 C ATOM 585 O ALA A 41 -9.875 10.022 0.546 1.00 0.00 O ATOM 586 CB ALA A 41 -10.455 12.272 -1.144 1.00 0.00 C ATOM 0 H ALA A 41 -9.445 10.628 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.374 12.010 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.716 12.410 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.306 13.245 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.262 11.744 -1.652 1.00 0.00 H new ATOM 592 N GLY A 42 -8.671 9.064 -1.101 1.00 0.00 N ATOM 593 CA GLY A 42 -8.626 7.735 -0.503 1.00 0.00 C ATOM 594 C GLY A 42 -7.220 7.137 -0.572 1.00 0.00 C ATOM 595 O GLY A 42 -7.007 6.010 -0.127 1.00 0.00 O ATOM 0 H GLY A 42 -8.203 9.121 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.948 7.792 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.327 7.079 -1.018 1.00 0.00 H new ATOM 599 N VAL A 43 -6.261 7.887 -1.128 1.00 0.00 N ATOM 600 CA VAL A 43 -4.871 7.457 -1.205 1.00 0.00 C ATOM 601 C VAL A 43 -4.215 7.555 0.177 1.00 0.00 C ATOM 602 O VAL A 43 -4.709 8.261 1.055 1.00 0.00 O ATOM 603 CB VAL A 43 -4.119 8.331 -2.223 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.756 9.687 -1.616 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.852 7.615 -2.692 1.00 0.00 C ATOM 0 H VAL A 43 -6.432 8.807 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.829 6.418 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.774 8.501 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.225 10.286 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.666 10.206 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.118 9.537 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.326 8.241 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.204 7.424 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.121 6.669 -3.162 1.00 0.00 H new ATOM 615 N HIS A 44 -3.097 6.848 0.366 1.00 0.00 N ATOM 616 CA HIS A 44 -2.268 6.942 1.560 1.00 0.00 C ATOM 617 C HIS A 44 -0.823 6.618 1.188 1.00 0.00 C ATOM 618 O HIS A 44 -0.579 6.001 0.155 1.00 0.00 O ATOM 619 CB HIS A 44 -2.730 5.939 2.615 1.00 0.00 C ATOM 620 CG HIS A 44 -3.979 6.346 3.345 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.086 7.341 4.289 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.220 5.793 3.198 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.364 7.377 4.701 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.100 6.452 4.062 1.00 0.00 N ATOM 0 H HIS A 44 -2.741 6.184 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.349 7.952 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.901 4.976 2.134 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.929 5.796 3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.477 4.985 2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.748 8.058 5.446 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.096 6.268 4.182 1.00 0.00 H new ATOM 632 N PHE A 45 0.131 7.032 2.027 1.00 0.00 N ATOM 633 CA PHE A 45 1.549 6.773 1.821 1.00 0.00 C ATOM 634 C PHE A 45 2.229 6.562 3.172 1.00 0.00 C ATOM 635 O PHE A 45 1.600 6.743 4.214 1.00 0.00 O ATOM 636 CB PHE A 45 2.178 7.932 1.043 1.00 0.00 C ATOM 637 CG PHE A 45 1.695 7.994 -0.390 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.291 7.178 -1.362 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.651 8.857 -0.748 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.817 7.195 -2.681 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.180 8.877 -2.068 1.00 0.00 C ATOM 642 CZ PHE A 45 0.752 8.035 -3.033 1.00 0.00 C ATOM 0 H PHE A 45 -0.067 7.562 2.876 1.00 0.00 H new ATOM 0 HA PHE A 45 1.683 5.866 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.944 8.872 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.263 7.827 1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.117 6.535 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.209 9.507 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.273 6.560 -3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.625 9.542 -2.343 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.373 8.034 -4.044 1.00 0.00 H new ATOM 652 N ILE A 46 3.511 6.181 3.162 1.00 0.00 N ATOM 653 CA ILE A 46 4.211 5.800 4.382 1.00 0.00 C ATOM 654 C ILE A 46 5.565 6.497 4.476 1.00 0.00 C ATOM 655 O ILE A 46 6.451 6.262 3.655 1.00 0.00 O ATOM 656 CB ILE A 46 4.381 4.279 4.409 1.00 0.00 C ATOM 657 CG1 ILE A 46 3.008 3.612 4.263 1.00 0.00 C ATOM 658 CG2 ILE A 46 5.052 3.874 5.725 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.136 2.095 4.212 1.00 0.00 C ATOM 0 H ILE A 46 4.081 6.130 2.318 1.00 0.00 H new ATOM 0 HA ILE A 46 3.622 6.113 5.244 1.00 0.00 H new ATOM 0 HB ILE A 46 5.011 3.953 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.371 3.898 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.522 3.969 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.177 2.791 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.028 4.354 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.429 4.188 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.147 1.650 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.753 1.810 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.600 1.738 5.131 1.00 0.00 H new ATOM 826 N ALA A 57 2.660 2.336 0.307 1.00 0.00 N ATOM 827 CA ALA A 57 1.394 3.022 0.479 1.00 0.00 C ATOM 828 C ALA A 57 0.241 2.057 0.744 1.00 0.00 C ATOM 829 O ALA A 57 0.430 0.846 0.846 1.00 0.00 O ATOM 830 CB ALA A 57 1.129 3.782 -0.823 1.00 0.00 C ATOM 0 HA ALA A 57 1.454 3.683 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.183 4.318 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.936 4.493 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.079 3.077 -1.652 1.00 0.00 H new ATOM 836 N PHE A 58 -0.964 2.625 0.852 1.00 0.00 N ATOM 837 CA PHE A 58 -2.211 1.879 0.936 1.00 0.00 C ATOM 838 C PHE A 58 -3.264 2.585 0.090 1.00 0.00 C ATOM 839 O PHE A 58 -3.090 3.741 -0.296 1.00 0.00 O ATOM 840 CB PHE A 58 -2.728 1.798 2.374 1.00 0.00 C ATOM 841 CG PHE A 58 -1.819 1.135 3.379 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.905 -0.245 3.611 1.00 0.00 C ATOM 843 CD2 PHE A 58 -0.897 1.911 4.090 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.086 -0.844 4.580 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.088 1.314 5.064 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.181 -0.064 5.310 1.00 0.00 C ATOM 0 H PHE A 58 -1.096 3.636 0.884 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.022 0.867 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.937 2.811 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.677 1.262 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.601 -0.846 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.810 2.968 3.888 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.154 -1.906 4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.610 1.916 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.445 -0.523 6.061 1.00 0.00 H new ATOM 856 N VAL A 59 -4.359 1.881 -0.194 1.00 0.00 N ATOM 857 CA VAL A 59 -5.469 2.425 -0.961 1.00 0.00 C ATOM 858 C VAL A 59 -6.775 1.852 -0.423 1.00 0.00 C ATOM 859 O VAL A 59 -7.028 0.656 -0.559 1.00 0.00 O ATOM 860 CB VAL A 59 -5.310 2.057 -2.443 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.393 2.748 -3.266 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.954 2.483 -3.003 1.00 0.00 C ATOM 0 H VAL A 59 -4.498 0.915 0.104 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.480 3.511 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.393 0.972 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.276 2.484 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.375 2.427 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.303 3.828 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.889 2.201 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.845 3.564 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.159 1.989 -2.445 1.00 0.00 H new ATOM 872 N GLU A 60 -7.613 2.694 0.190 1.00 0.00 N ATOM 873 CA GLU A 60 -8.939 2.254 0.594 1.00 0.00 C ATOM 874 C GLU A 60 -9.837 2.231 -0.636 1.00 0.00 C ATOM 875 O GLU A 60 -9.642 3.016 -1.561 1.00 0.00 O ATOM 876 CB GLU A 60 -9.539 3.189 1.646 1.00 0.00 C ATOM 877 CG GLU A 60 -8.767 3.103 2.961 1.00 0.00 C ATOM 878 CD GLU A 60 -9.572 3.733 4.096 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.555 4.980 4.202 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.202 2.955 4.848 1.00 0.00 O ATOM 0 H GLU A 60 -7.396 3.666 0.411 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.862 1.260 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.523 4.215 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.584 2.928 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.551 2.061 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.808 3.612 2.861 1.00 0.00 H new ATOM 887 N LEU A 61 -10.825 1.334 -0.648 1.00 0.00 N ATOM 888 CA LEU A 61 -11.742 1.194 -1.768 1.00 0.00 C ATOM 889 C LEU A 61 -13.186 1.285 -1.286 1.00 0.00 C ATOM 890 O LEU A 61 -13.441 1.686 -0.150 1.00 0.00 O ATOM 891 CB LEU A 61 -11.492 -0.143 -2.466 1.00 0.00 C ATOM 892 CG LEU A 61 -9.998 -0.461 -2.618 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.841 -1.937 -2.939 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.375 0.357 -3.745 1.00 0.00 C ATOM 0 H LEU A 61 -11.007 0.688 0.120 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.570 2.004 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.973 -0.940 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.958 -0.127 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.492 -0.211 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.783 -2.175 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.264 -2.532 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.363 -2.165 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.316 0.112 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.878 0.125 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.485 1.419 -3.527 1.00 0.00 H new ATOM 906 N GLY A 62 -14.135 0.911 -2.149 1.00 0.00 N ATOM 907 CA GLY A 62 -15.546 1.057 -1.839 1.00 0.00 C ATOM 908 C GLY A 62 -16.311 -0.265 -1.791 1.00 0.00 C ATOM 909 O GLY A 62 -17.363 -0.322 -1.157 1.00 0.00 O ATOM 0 H GLY A 62 -13.944 0.506 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.646 1.558 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.006 1.705 -2.585 1.00 0.00 H new ATOM 913 N SER A 63 -15.812 -1.323 -2.442 1.00 0.00 N ATOM 914 CA SER A 63 -16.499 -2.611 -2.449 1.00 0.00 C ATOM 915 C SER A 63 -15.516 -3.771 -2.565 1.00 0.00 C ATOM 916 O SER A 63 -14.337 -3.573 -2.850 1.00 0.00 O ATOM 917 CB SER A 63 -17.466 -2.670 -3.637 1.00 0.00 C ATOM 918 OG SER A 63 -18.475 -1.691 -3.517 1.00 0.00 O ATOM 0 H SER A 63 -14.938 -1.308 -2.968 1.00 0.00 H new ATOM 0 HA SER A 63 -17.039 -2.704 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.916 -2.519 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.919 -3.660 -3.693 1.00 0.00 H new ATOM 0 HG SER A 63 -19.079 -1.747 -4.287 1.00 0.00 H new ATOM 924 N GLU A 64 -16.012 -4.992 -2.342 1.00 0.00 N ATOM 925 CA GLU A 64 -15.223 -6.207 -2.492 1.00 0.00 C ATOM 926 C GLU A 64 -14.722 -6.338 -3.925 1.00 0.00 C ATOM 927 O GLU A 64 -13.636 -6.861 -4.160 1.00 0.00 O ATOM 928 CB GLU A 64 -16.105 -7.410 -2.147 1.00 0.00 C ATOM 929 CG GLU A 64 -15.361 -8.727 -2.380 1.00 0.00 C ATOM 930 CD GLU A 64 -16.212 -9.919 -1.950 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.252 -10.190 -0.729 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.817 -10.551 -2.845 1.00 0.00 O ATOM 0 H GLU A 64 -16.975 -5.160 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.362 -6.166 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.420 -7.347 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.009 -7.388 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.103 -8.821 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.425 -8.724 -1.822 1.00 0.00 H new ATOM 939 N ASP A 65 -15.505 -5.866 -4.894 1.00 0.00 N ATOM 940 CA ASP A 65 -15.110 -5.979 -6.284 1.00 0.00 C ATOM 941 C ASP A 65 -13.862 -5.142 -6.553 1.00 0.00 C ATOM 942 O ASP A 65 -13.081 -5.470 -7.443 1.00 0.00 O ATOM 943 CB ASP A 65 -16.274 -5.536 -7.169 1.00 0.00 C ATOM 944 CG ASP A 65 -16.002 -5.813 -8.645 1.00 0.00 C ATOM 945 OD1 ASP A 65 -15.685 -6.980 -8.966 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.113 -4.854 -9.441 1.00 0.00 O ATOM 0 H ASP A 65 -16.403 -5.409 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.865 -7.016 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.182 -6.056 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.454 -4.470 -7.026 1.00 0.00 H new ATOM 951 N ASP A 66 -13.663 -4.060 -5.794 1.00 0.00 N ATOM 952 CA ASP A 66 -12.511 -3.200 -5.981 1.00 0.00 C ATOM 953 C ASP A 66 -11.262 -3.850 -5.394 1.00 0.00 C ATOM 954 O ASP A 66 -10.196 -3.792 -6.002 1.00 0.00 O ATOM 955 CB ASP A 66 -12.762 -1.866 -5.279 1.00 0.00 C ATOM 956 CG ASP A 66 -13.960 -1.108 -5.845 1.00 0.00 C ATOM 957 OD1 ASP A 66 -14.151 -1.152 -7.080 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.674 -0.490 -5.024 1.00 0.00 O ATOM 0 H ASP A 66 -14.291 -3.766 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.357 -3.039 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.923 -2.046 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.872 -1.243 -5.366 1.00 0.00 H new ATOM 963 N VAL A 67 -11.380 -4.473 -4.215 1.00 0.00 N ATOM 964 CA VAL A 67 -10.226 -5.100 -3.585 1.00 0.00 C ATOM 965 C VAL A 67 -9.808 -6.314 -4.395 1.00 0.00 C ATOM 966 O VAL A 67 -8.616 -6.555 -4.560 1.00 0.00 O ATOM 967 CB VAL A 67 -10.498 -5.438 -2.109 1.00 0.00 C ATOM 968 CG1 VAL A 67 -11.893 -5.982 -1.837 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.486 -6.443 -1.564 1.00 0.00 C ATOM 0 H VAL A 67 -12.251 -4.553 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.395 -4.395 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.405 -4.479 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.000 -6.194 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.636 -5.243 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.043 -6.899 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.711 -6.656 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.541 -7.365 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.482 -6.026 -1.641 1.00 0.00 H new ATOM 979 N LYS A 68 -10.767 -7.084 -4.908 1.00 0.00 N ATOM 980 CA LYS A 68 -10.448 -8.223 -5.748 1.00 0.00 C ATOM 981 C LYS A 68 -9.713 -7.763 -7.006 1.00 0.00 C ATOM 982 O LYS A 68 -8.733 -8.390 -7.404 1.00 0.00 O ATOM 983 CB LYS A 68 -11.746 -8.954 -6.085 1.00 0.00 C ATOM 984 CG LYS A 68 -12.291 -9.634 -4.826 1.00 0.00 C ATOM 985 CD LYS A 68 -13.703 -10.176 -5.047 1.00 0.00 C ATOM 986 CE LYS A 68 -13.722 -11.250 -6.127 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.081 -11.792 -6.315 1.00 0.00 N ATOM 0 H LYS A 68 -11.764 -6.936 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.783 -8.909 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.480 -8.251 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.567 -9.696 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.629 -10.450 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.299 -8.922 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.086 -10.589 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.368 -9.360 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.361 -10.831 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.040 -12.056 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.064 -12.521 -7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.414 -12.212 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.724 -11.025 -6.598 1.00 0.00 H new ATOM 1001 N MET A 69 -10.176 -6.675 -7.633 1.00 0.00 N ATOM 1002 CA MET A 69 -9.558 -6.156 -8.847 1.00 0.00 C ATOM 1003 C MET A 69 -8.147 -5.632 -8.591 1.00 0.00 C ATOM 1004 O MET A 69 -7.303 -5.706 -9.482 1.00 0.00 O ATOM 1005 CB MET A 69 -10.426 -5.039 -9.433 1.00 0.00 C ATOM 1006 CG MET A 69 -11.583 -5.632 -10.241 1.00 0.00 C ATOM 1007 SD MET A 69 -12.495 -4.426 -11.241 1.00 0.00 S ATOM 1008 CE MET A 69 -13.034 -3.276 -9.949 1.00 0.00 C ATOM 0 H MET A 69 -10.982 -6.138 -7.313 1.00 0.00 H new ATOM 0 HA MET A 69 -9.481 -6.980 -9.557 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.817 -4.414 -8.630 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.820 -4.396 -10.071 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.191 -6.408 -10.898 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.278 -6.117 -9.555 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.671 -2.508 -10.388 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.593 -3.820 -9.188 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.162 -2.807 -9.493 1.00 0.00 H new ATOM 1018 N ALA A 70 -7.876 -5.107 -7.395 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.556 -4.585 -7.073 1.00 0.00 C ATOM 1020 C ALA A 70 -5.548 -5.716 -6.854 1.00 0.00 C ATOM 1021 O ALA A 70 -4.348 -5.524 -7.043 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.668 -3.719 -5.821 1.00 0.00 C ATOM 0 H ALA A 70 -8.555 -5.034 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.193 -3.987 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.686 -3.320 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.357 -2.896 -6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.041 -4.323 -4.993 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.027 -6.897 -6.456 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.182 -8.061 -6.229 1.00 0.00 C ATOM 1030 C LEU A 71 -4.877 -8.811 -7.528 1.00 0.00 C ATOM 1031 O LEU A 71 -3.983 -9.654 -7.551 1.00 0.00 O ATOM 1032 CB LEU A 71 -5.882 -8.974 -5.222 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.080 -8.246 -3.887 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.964 -9.078 -2.965 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.748 -7.972 -3.203 1.00 0.00 C ATOM 0 H LEU A 71 -7.017 -7.069 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.221 -7.731 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.847 -9.290 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.290 -9.876 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.562 -7.291 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.099 -8.553 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.935 -9.234 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.491 -10.042 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.923 -7.455 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.237 -8.915 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.129 -7.349 -3.849 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.605 -8.521 -8.611 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.339 -9.131 -9.918 1.00 0.00 C ATOM 1049 C LYS A 72 -4.008 -8.700 -10.542 1.00 0.00 C ATOM 1050 O LYS A 72 -3.610 -9.262 -11.562 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.456 -8.801 -10.907 1.00 0.00 C ATOM 1052 CG LYS A 72 -7.837 -9.248 -10.428 1.00 0.00 C ATOM 1053 CD LYS A 72 -7.855 -10.725 -10.020 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.233 -11.116 -9.490 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.268 -11.031 -10.540 1.00 0.00 N ATOM 0 H LYS A 72 -6.386 -7.865 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.288 -10.203 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.470 -7.725 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.238 -9.278 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.142 -8.634 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.566 -9.082 -11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.598 -11.348 -10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.100 -10.907 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.197 -12.132 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.502 -10.463 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.139 -11.492 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.464 -10.032 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.930 -11.509 -11.400 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.321 -7.717 -9.953 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.057 -7.197 -10.467 1.00 0.00 C ATOM 1071 C LYS A 73 -1.041 -7.068 -9.336 1.00 0.00 C ATOM 1072 O LYS A 73 -0.113 -6.267 -9.398 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.290 -5.876 -11.203 1.00 0.00 C ATOM 1074 CG LYS A 73 -2.777 -4.746 -10.298 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.289 -4.740 -10.064 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.089 -4.681 -11.368 1.00 0.00 C ATOM 1077 NZ LYS A 73 -4.630 -3.598 -12.258 1.00 0.00 N ATOM 0 H LYS A 73 -3.632 -7.257 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.641 -7.897 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.361 -5.570 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.021 -6.036 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.272 -4.823 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.484 -3.792 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.570 -5.636 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.553 -3.885 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.004 -5.636 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.145 -4.536 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.390 -3.349 -12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.380 -2.764 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.796 -3.917 -12.791 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.245 -7.882 -8.299 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.461 -7.912 -7.073 1.00 0.00 C ATOM 1093 C ASP A 74 1.062 -7.966 -7.226 1.00 0.00 C ATOM 1094 O ASP A 74 1.758 -7.749 -6.236 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.931 -9.093 -6.229 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.430 -10.416 -6.801 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.039 -10.890 -7.787 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.558 -10.946 -6.248 1.00 0.00 O ATOM 0 H ASP A 74 -1.999 -8.569 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.642 -6.948 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.573 -8.977 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.020 -9.102 -6.186 1.00 0.00 H new ATOM 1103 N ARG A 75 1.593 -8.244 -8.422 1.00 0.00 N ATOM 1104 CA ARG A 75 3.036 -8.235 -8.643 1.00 0.00 C ATOM 1105 C ARG A 75 3.398 -8.082 -10.122 1.00 0.00 C ATOM 1106 O ARG A 75 4.393 -8.643 -10.577 1.00 0.00 O ATOM 1107 CB ARG A 75 3.701 -9.451 -7.998 1.00 0.00 C ATOM 1108 CG ARG A 75 3.191 -10.781 -8.538 1.00 0.00 C ATOM 1109 CD ARG A 75 3.934 -11.866 -7.769 1.00 0.00 C ATOM 1110 NE ARG A 75 3.601 -13.212 -8.250 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.481 -13.880 -7.958 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.529 -13.342 -7.198 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.304 -15.110 -8.434 1.00 0.00 N ATOM 0 H ARG A 75 1.042 -8.477 -9.248 1.00 0.00 H new ATOM 0 HA ARG A 75 3.436 -7.350 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.778 -9.393 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.535 -9.417 -6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.114 -10.871 -8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.379 -10.864 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.008 -11.704 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.690 -11.790 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 75 4.279 -13.675 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.646 -12.400 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.683 -13.872 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.021 -15.539 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.451 -15.624 -8.214 1.00 0.00 H new ATOM 1127 N GLU A 76 2.597 -7.324 -10.879 1.00 0.00 N ATOM 1128 CA GLU A 76 2.859 -7.075 -12.295 1.00 0.00 C ATOM 1129 C GLU A 76 3.231 -5.610 -12.531 1.00 0.00 C ATOM 1130 O GLU A 76 3.392 -4.850 -11.579 1.00 0.00 O ATOM 1131 CB GLU A 76 1.699 -7.564 -13.164 1.00 0.00 C ATOM 1132 CG GLU A 76 0.410 -6.810 -12.867 1.00 0.00 C ATOM 1133 CD GLU A 76 -0.701 -7.229 -13.829 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.019 -8.440 -13.852 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.225 -6.338 -14.535 1.00 0.00 O ATOM 0 H GLU A 76 1.754 -6.870 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 76 3.726 -7.659 -12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.957 -7.442 -14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.543 -8.630 -12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.099 -7.003 -11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.584 -5.737 -12.951 1.00 0.00 H new ATOM 1142 N SER A 77 3.371 -5.203 -13.796 1.00 0.00 N ATOM 1143 CA SER A 77 4.053 -3.958 -14.129 1.00 0.00 C ATOM 1144 C SER A 77 3.171 -2.943 -14.852 1.00 0.00 C ATOM 1145 O SER A 77 2.237 -3.309 -15.563 1.00 0.00 O ATOM 1146 CB SER A 77 5.244 -4.304 -15.021 1.00 0.00 C ATOM 1147 OG SER A 77 6.126 -5.178 -14.351 1.00 0.00 O ATOM 0 H SER A 77 3.020 -5.720 -14.602 1.00 0.00 H new ATOM 0 HA SER A 77 4.353 -3.489 -13.192 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.893 -4.768 -15.943 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.771 -3.393 -15.304 1.00 0.00 H new ATOM 0 HG SER A 77 6.883 -5.391 -14.936 1.00 0.00 H new ATOM 1153 N MET A 78 3.486 -1.655 -14.660 1.00 0.00 N ATOM 1154 CA MET A 78 2.850 -0.565 -15.391 1.00 0.00 C ATOM 1155 C MET A 78 3.307 -0.551 -16.850 1.00 0.00 C ATOM 1156 O MET A 78 2.569 -0.079 -17.714 1.00 0.00 O ATOM 1157 CB MET A 78 3.226 0.775 -14.750 1.00 0.00 C ATOM 1158 CG MET A 78 2.426 1.062 -13.480 1.00 0.00 C ATOM 1159 SD MET A 78 3.047 2.506 -12.572 1.00 0.00 S ATOM 1160 CE MET A 78 1.773 2.658 -11.294 1.00 0.00 C ATOM 0 H MET A 78 4.191 -1.345 -13.991 1.00 0.00 H new ATOM 0 HA MET A 78 1.771 -0.715 -15.353 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.290 0.775 -14.513 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.060 1.577 -15.469 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.381 1.225 -13.743 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.458 0.188 -12.830 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.136 3.301 -10.493 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.872 3.093 -11.728 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.542 1.672 -10.891 1.00 0.00 H new ATOM 1170 N GLY A 79 4.511 -1.062 -17.133 1.00 0.00 N ATOM 1171 CA GLY A 79 5.015 -1.125 -18.498 1.00 0.00 C ATOM 1172 C GLY A 79 6.538 -1.033 -18.607 1.00 0.00 C ATOM 1173 O GLY A 79 7.074 -1.249 -19.693 1.00 0.00 O ATOM 0 H GLY A 79 5.149 -1.436 -16.431 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.685 -2.059 -18.953 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.571 -0.314 -19.076 1.00 0.00 H new ATOM 1177 N HIS A 80 7.246 -0.721 -17.514 1.00 0.00 N ATOM 1178 CA HIS A 80 8.701 -0.597 -17.556 1.00 0.00 C ATOM 1179 C HIS A 80 9.362 -1.034 -16.245 1.00 0.00 C ATOM 1180 O HIS A 80 10.563 -1.303 -16.218 1.00 0.00 O ATOM 1181 CB HIS A 80 9.055 0.855 -17.885 1.00 0.00 C ATOM 1182 CG HIS A 80 10.508 1.055 -18.226 1.00 0.00 C ATOM 1183 ND1 HIS A 80 11.052 1.090 -19.489 1.00 0.00 N ATOM 1184 CD2 HIS A 80 11.534 1.238 -17.340 1.00 0.00 C ATOM 1185 CE1 HIS A 80 12.376 1.291 -19.360 1.00 0.00 C ATOM 1186 NE2 HIS A 80 12.723 1.390 -18.065 1.00 0.00 N ATOM 0 H HIS A 80 6.834 -0.551 -16.596 1.00 0.00 H new ATOM 0 HA HIS A 80 9.085 -1.264 -18.328 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.444 1.189 -18.723 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.800 1.485 -17.033 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.443 1.261 -16.264 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.068 1.363 -20.186 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.658 1.544 -17.688 1.00 0.00 H new ATOM 1194 N ARG A 81 8.588 -1.110 -15.157 1.00 0.00 N ATOM 1195 CA ARG A 81 9.053 -1.588 -13.861 1.00 0.00 C ATOM 1196 C ARG A 81 7.855 -2.189 -13.134 1.00 0.00 C ATOM 1197 O ARG A 81 6.720 -1.926 -13.533 1.00 0.00 O ATOM 1198 CB ARG A 81 9.685 -0.426 -13.088 1.00 0.00 C ATOM 1199 CG ARG A 81 10.395 -0.943 -11.838 1.00 0.00 C ATOM 1200 CD ARG A 81 11.192 0.167 -11.157 1.00 0.00 C ATOM 1201 NE ARG A 81 11.893 -0.363 -9.983 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.056 0.096 -9.514 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.656 1.145 -10.074 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.626 -0.503 -8.471 1.00 0.00 N ATOM 0 H ARG A 81 7.606 -0.835 -15.158 1.00 0.00 H new ATOM 0 HA ARG A 81 9.820 -2.355 -13.963 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.395 0.100 -13.726 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.916 0.293 -12.806 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.661 -1.348 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.063 -1.761 -12.108 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.910 0.592 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.523 0.974 -10.857 1.00 0.00 H new ATOM 0 HE ARG A 81 11.459 -1.142 -9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.227 1.611 -10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.544 1.483 -9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.175 -1.307 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.514 -0.158 -8.107 1.00 0.00 H new ATOM 1218 N TYR A 82 8.075 -2.988 -12.082 1.00 0.00 N ATOM 1219 CA TYR A 82 6.971 -3.730 -11.496 1.00 0.00 C ATOM 1220 C TYR A 82 6.444 -3.151 -10.192 1.00 0.00 C ATOM 1221 O TYR A 82 7.140 -2.457 -9.454 1.00 0.00 O ATOM 1222 CB TYR A 82 7.242 -5.237 -11.525 1.00 0.00 C ATOM 1223 CG TYR A 82 7.778 -5.937 -10.297 1.00 0.00 C ATOM 1224 CD1 TYR A 82 9.156 -5.992 -10.028 1.00 0.00 C ATOM 1225 CD2 TYR A 82 6.867 -6.560 -9.430 1.00 0.00 C ATOM 1226 CE1 TYR A 82 9.617 -6.740 -8.937 1.00 0.00 C ATOM 1227 CE2 TYR A 82 7.322 -7.296 -8.329 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.707 -7.400 -8.085 1.00 0.00 C ATOM 1229 OH TYR A 82 9.165 -8.133 -7.032 1.00 0.00 O ATOM 0 H TYR A 82 8.981 -3.130 -11.636 1.00 0.00 H new ATOM 0 HA TYR A 82 6.101 -3.593 -12.138 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.307 -5.728 -11.795 1.00 0.00 H new ATOM 0 HB3 TYR A 82 7.946 -5.423 -12.336 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.855 -5.461 -10.658 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.806 -6.471 -9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.678 -6.812 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.616 -7.781 -7.671 1.00 0.00 H new ATOM 0 HH TYR A 82 8.591 -7.980 -6.253 1.00 0.00 H new ATOM 1239 N ILE A 83 5.177 -3.458 -9.928 1.00 0.00 N ATOM 1240 CA ILE A 83 4.418 -2.909 -8.822 1.00 0.00 C ATOM 1241 C ILE A 83 3.962 -4.091 -7.980 1.00 0.00 C ATOM 1242 O ILE A 83 3.986 -5.230 -8.439 1.00 0.00 O ATOM 1243 CB ILE A 83 3.206 -2.114 -9.354 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.555 -0.837 -10.129 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.301 -1.653 -8.206 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.371 -1.074 -11.395 1.00 0.00 C ATOM 0 H ILE A 83 4.641 -4.114 -10.496 1.00 0.00 H new ATOM 0 HA ILE A 83 5.020 -2.222 -8.228 1.00 0.00 H new ATOM 0 HB ILE A 83 2.723 -2.822 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.631 -0.325 -10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.111 -0.168 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.456 -1.096 -8.610 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.935 -2.522 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.868 -1.013 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.574 -0.120 -11.881 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.313 -1.556 -11.135 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.810 -1.716 -12.075 1.00 0.00 H new ATOM 1258 N GLU A 84 3.548 -3.824 -6.747 1.00 0.00 N ATOM 1259 CA GLU A 84 3.072 -4.859 -5.851 1.00 0.00 C ATOM 1260 C GLU A 84 1.831 -4.370 -5.112 1.00 0.00 C ATOM 1261 O GLU A 84 1.712 -3.189 -4.790 1.00 0.00 O ATOM 1262 CB GLU A 84 4.194 -5.239 -4.884 1.00 0.00 C ATOM 1263 CG GLU A 84 4.951 -6.456 -5.413 1.00 0.00 C ATOM 1264 CD GLU A 84 5.989 -6.955 -4.407 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.682 -6.945 -3.194 1.00 0.00 O ATOM 1266 OE2 GLU A 84 7.085 -7.345 -4.865 1.00 0.00 O ATOM 0 H GLU A 84 3.535 -2.886 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 84 2.791 -5.748 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.879 -4.400 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.779 -5.458 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.245 -7.256 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.446 -6.199 -6.350 1.00 0.00 H new ATOM 1273 N VAL A 85 0.906 -5.296 -4.846 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.355 -5.007 -4.180 1.00 0.00 C ATOM 1275 C VAL A 85 -0.689 -6.177 -3.270 1.00 0.00 C ATOM 1276 O VAL A 85 -0.264 -7.303 -3.522 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.498 -4.833 -5.192 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.671 -4.073 -4.569 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.046 -4.082 -6.439 1.00 0.00 C ATOM 0 H VAL A 85 1.019 -6.279 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.250 -4.079 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.812 -5.837 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.466 -3.963 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.047 -4.627 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.336 -3.087 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.885 -3.981 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.687 -3.092 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.242 -4.635 -6.925 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.451 -5.922 -2.210 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.818 -6.974 -1.278 1.00 0.00 C ATOM 1291 C PHE A 86 -3.071 -6.573 -0.519 1.00 0.00 C ATOM 1292 O PHE A 86 -3.397 -5.391 -0.437 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.643 -7.191 -0.329 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.690 -8.447 0.507 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.331 -9.682 -0.047 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -1.087 -8.371 1.847 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.363 -10.839 0.744 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.116 -9.524 2.640 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.756 -10.761 2.087 1.00 0.00 C ATOM 0 H PHE A 86 -1.823 -5.001 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.035 -7.903 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.275 -7.204 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.580 -6.334 0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.030 -9.743 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.372 -7.419 2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.084 -11.792 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.415 -9.461 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.782 -11.653 2.695 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.778 -7.553 0.039 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.019 -7.288 0.737 1.00 0.00 C ATOM 1311 C LYS A 87 -4.724 -6.675 2.103 1.00 0.00 C ATOM 1312 O LYS A 87 -3.674 -6.930 2.690 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.790 -8.602 0.838 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.259 -8.335 1.142 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.024 -9.652 1.259 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.494 -9.367 1.571 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.262 -10.618 1.701 1.00 0.00 N ATOM 0 H LYS A 87 -3.507 -8.536 0.018 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.632 -6.566 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.700 -9.156 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.358 -9.225 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.349 -7.771 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.695 -7.722 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.942 -10.215 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.588 -10.269 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.568 -8.794 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.924 -8.753 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.256 -10.395 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.209 -11.152 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.864 -11.191 2.472 1.00 0.00 H new ATOM 1331 N SER A 88 -5.651 -5.864 2.610 1.00 0.00 N ATOM 1332 CA SER A 88 -5.487 -5.190 3.893 1.00 0.00 C ATOM 1333 C SER A 88 -6.785 -5.218 4.698 1.00 0.00 C ATOM 1334 O SER A 88 -7.812 -5.703 4.223 1.00 0.00 O ATOM 1335 CB SER A 88 -5.014 -3.757 3.646 1.00 0.00 C ATOM 1336 OG SER A 88 -4.721 -3.117 4.871 1.00 0.00 O ATOM 0 H SER A 88 -6.534 -5.657 2.143 1.00 0.00 H new ATOM 0 HA SER A 88 -4.737 -5.715 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.128 -3.764 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.784 -3.200 3.112 1.00 0.00 H new ATOM 0 HG SER A 88 -4.418 -2.201 4.697 1.00 0.00 H new ATOM 1342 N HIS A 89 -6.735 -4.694 5.926 1.00 0.00 N ATOM 1343 CA HIS A 89 -7.847 -4.735 6.865 1.00 0.00 C ATOM 1344 C HIS A 89 -7.942 -3.451 7.692 1.00 0.00 C ATOM 1345 O HIS A 89 -8.656 -3.428 8.693 1.00 0.00 O ATOM 1346 CB HIS A 89 -7.717 -5.971 7.765 1.00 0.00 C ATOM 1347 CG HIS A 89 -6.326 -6.180 8.302 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -5.859 -5.776 9.532 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.289 -6.807 7.663 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -4.568 -6.139 9.620 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.172 -6.776 8.506 1.00 0.00 N ATOM 0 H HIS A 89 -5.908 -4.225 6.295 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.774 -4.808 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.410 -5.876 8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.017 -6.854 7.201 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.327 -7.249 6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -3.934 -5.945 10.472 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.246 -7.159 8.314 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.230 -2.395 7.277 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.288 -1.049 7.850 1.00 0.00 C ATOM 1361 C ARG A 90 -6.580 -0.948 9.203 1.00 0.00 C ATOM 1362 O ARG A 90 -6.013 0.098 9.510 1.00 0.00 O ATOM 1363 CB ARG A 90 -8.745 -0.565 7.934 1.00 0.00 C ATOM 1364 CG ARG A 90 -8.844 0.851 8.508 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.302 1.308 8.574 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.863 1.514 7.234 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.087 1.141 6.850 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -12.917 0.525 7.691 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -12.480 1.391 5.606 1.00 0.00 N ATOM 0 H ARG A 90 -6.572 -2.461 6.501 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.741 -0.388 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.192 -0.586 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.320 -1.250 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.405 0.876 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.269 1.540 7.889 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.894 0.564 9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.368 2.235 9.144 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.273 1.977 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.622 0.330 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.848 0.248 7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.850 1.862 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.412 1.112 5.300 1.00 0.00 H new ATOM 1383 N THR A 91 -6.599 -2.008 10.013 1.00 0.00 N ATOM 1384 CA THR A 91 -5.921 -1.991 11.303 1.00 0.00 C ATOM 1385 C THR A 91 -4.412 -1.884 11.109 1.00 0.00 C ATOM 1386 O THR A 91 -3.740 -1.179 11.859 1.00 0.00 O ATOM 1387 CB THR A 91 -6.265 -3.258 12.086 1.00 0.00 C ATOM 1388 OG1 THR A 91 -7.665 -3.369 12.220 1.00 0.00 O ATOM 1389 CG2 THR A 91 -5.632 -3.219 13.475 1.00 0.00 C ATOM 0 H THR A 91 -7.075 -2.884 9.797 1.00 0.00 H new ATOM 0 HA THR A 91 -6.259 -1.122 11.867 1.00 0.00 H new ATOM 0 HB THR A 91 -5.874 -4.117 11.541 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.882 -4.183 12.721 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.888 -4.129 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.549 -3.146 13.379 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.007 -2.354 14.021 1.00 0.00 H new ATOM 1397 N GLU A 92 -3.870 -2.579 10.104 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.456 -2.476 9.781 1.00 0.00 C ATOM 1399 C GLU A 92 -2.169 -1.117 9.175 1.00 0.00 C ATOM 1400 O GLU A 92 -1.148 -0.513 9.486 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.084 -3.572 8.781 1.00 0.00 C ATOM 1402 CG GLU A 92 -0.583 -3.513 8.491 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.132 -4.632 7.555 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.514 -5.796 7.804 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.599 -4.314 6.590 1.00 0.00 O ATOM 0 H GLU A 92 -4.394 -3.217 9.505 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.866 -2.596 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.349 -4.550 9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.649 -3.443 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.338 -2.549 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.031 -3.581 9.428 1.00 0.00 H new ATOM 1412 N MET A 93 -3.068 -0.635 8.313 1.00 0.00 N ATOM 1413 CA MET A 93 -2.858 0.631 7.639 1.00 0.00 C ATOM 1414 C MET A 93 -2.658 1.733 8.669 1.00 0.00 C ATOM 1415 O MET A 93 -1.733 2.530 8.549 1.00 0.00 O ATOM 1416 CB MET A 93 -4.057 0.930 6.739 1.00 0.00 C ATOM 1417 CG MET A 93 -3.854 2.261 6.017 1.00 0.00 C ATOM 1418 SD MET A 93 -5.207 2.733 4.909 1.00 0.00 S ATOM 1419 CE MET A 93 -6.515 2.925 6.143 1.00 0.00 C ATOM 0 H MET A 93 -3.940 -1.105 8.072 1.00 0.00 H new ATOM 0 HA MET A 93 -1.963 0.579 7.019 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.184 0.129 6.011 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.969 0.966 7.335 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.721 3.046 6.761 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.931 2.209 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.203 2.082 6.078 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.074 2.957 7.139 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.057 3.852 5.957 1.00 0.00 H new ATOM 1429 N ASP A 94 -3.525 1.781 9.685 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.479 2.829 10.690 1.00 0.00 C ATOM 1431 C ASP A 94 -2.208 2.741 11.535 1.00 0.00 C ATOM 1432 O ASP A 94 -1.700 3.757 12.008 1.00 0.00 O ATOM 1433 CB ASP A 94 -4.707 2.693 11.586 1.00 0.00 C ATOM 1434 CG ASP A 94 -4.983 3.991 12.339 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -4.423 4.155 13.444 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.757 4.814 11.802 1.00 0.00 O ATOM 0 H ASP A 94 -4.269 1.098 9.827 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.474 3.798 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.575 2.428 10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.554 1.881 12.297 1.00 0.00 H new ATOM 1441 N TRP A 95 -1.700 1.520 11.721 1.00 0.00 N ATOM 1442 CA TRP A 95 -0.542 1.249 12.563 1.00 0.00 C ATOM 1443 C TRP A 95 0.769 1.752 11.952 1.00 0.00 C ATOM 1444 O TRP A 95 1.722 2.018 12.684 1.00 0.00 O ATOM 1445 CB TRP A 95 -0.458 -0.259 12.801 1.00 0.00 C ATOM 1446 CG TRP A 95 0.678 -0.700 13.667 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.641 -0.859 15.008 1.00 0.00 C ATOM 1448 CD2 TRP A 95 2.040 -1.043 13.268 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.879 -1.265 15.464 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.785 -1.387 14.430 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.721 -1.089 12.038 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 4.136 -1.747 14.374 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 4.076 -1.443 11.969 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.785 -1.773 13.133 1.00 0.00 C ATOM 0 H TRP A 95 -2.089 0.685 11.284 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.675 1.788 13.501 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.391 -0.593 13.254 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.375 -0.760 11.836 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.226 -0.693 15.630 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.097 -1.452 16.443 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.190 -0.847 11.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.672 -2.002 15.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.577 -1.462 11.013 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.828 -2.046 13.073 1.00 0.00 H new ATOM 1465 N VAL A 96 0.830 1.885 10.623 1.00 0.00 N ATOM 1466 CA VAL A 96 2.042 2.328 9.935 1.00 0.00 C ATOM 1467 C VAL A 96 1.842 3.707 9.297 1.00 0.00 C ATOM 1468 O VAL A 96 2.807 4.346 8.885 1.00 0.00 O ATOM 1469 CB VAL A 96 2.476 1.254 8.930 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.364 0.967 7.940 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.740 1.643 8.166 1.00 0.00 C ATOM 0 H VAL A 96 0.046 1.690 10.000 1.00 0.00 H new ATOM 0 HA VAL A 96 2.851 2.452 10.654 1.00 0.00 H new ATOM 0 HB VAL A 96 2.697 0.359 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.692 0.202 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.483 0.613 8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.117 1.879 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.003 0.848 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.562 2.566 7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.559 1.793 8.870 1.00 0.00 H new ATOM 1481 N LEU A 97 0.598 4.186 9.206 1.00 0.00 N ATOM 1482 CA LEU A 97 0.317 5.546 8.761 1.00 0.00 C ATOM 1483 C LEU A 97 0.734 6.569 9.823 1.00 0.00 C ATOM 1484 O LEU A 97 0.614 7.772 9.596 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.182 5.682 8.465 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.515 5.890 6.984 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.927 7.204 6.473 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.011 4.738 6.118 1.00 0.00 C ATOM 0 H LEU A 97 -0.234 3.643 9.438 1.00 0.00 H new ATOM 0 HA LEU A 97 0.892 5.744 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.693 4.786 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.579 6.521 9.036 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.602 5.925 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.177 7.329 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.341 8.035 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.157 7.187 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.269 4.927 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.072 4.656 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.476 3.807 6.444 1.00 0.00 H new ATOM 1500 N LYS A 98 1.220 6.100 10.980 1.00 0.00 N ATOM 1501 CA LYS A 98 1.624 6.954 12.089 1.00 0.00 C ATOM 1502 C LYS A 98 3.002 6.578 12.635 1.00 0.00 C ATOM 1503 O LYS A 98 3.484 7.206 13.576 1.00 0.00 O ATOM 1504 CB LYS A 98 0.582 6.853 13.199 1.00 0.00 C ATOM 1505 CG LYS A 98 -0.783 7.351 12.725 1.00 0.00 C ATOM 1506 CD LYS A 98 -1.705 7.438 13.939 1.00 0.00 C ATOM 1507 CE LYS A 98 -3.107 7.894 13.538 1.00 0.00 C ATOM 1508 NZ LYS A 98 -3.775 6.895 12.683 1.00 0.00 N ATOM 0 H LYS A 98 1.342 5.105 11.168 1.00 0.00 H new ATOM 0 HA LYS A 98 1.691 7.978 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.499 5.818 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.906 7.438 14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.688 8.327 12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.198 6.672 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.762 6.464 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.288 8.134 14.666 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.705 8.067 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.044 8.845 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.768 7.169 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.293 6.848 11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.736 5.963 13.143 1.00 0.00 H new