USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 806 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 91 MET CE :methyl -157:sc= -0.0439 (180deg=-0.628) USER MOD Set 1.2: A 102 MET CE :methyl -149:sc= -0.0587 (180deg=-0.428) USER MOD Set 2.1: A 44 CYS SG : rot 156:sc= -0.599 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.165! C(o=-0.76!,f=-2.5!) USER MOD Set 3.1: A 25 TYR OH : rot 58:sc= 0.291 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -4.32! C(o=-4!,f=-4.4!) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.305 K(o=0.85,f=0.19) USER MOD Set 4.2: A 50 TYR OH : rot -54:sc= 0.546 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -145:sc= 0.173 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.511 F(o=-1.3!,f=-0.51) USER MOD Single : A 22 THR OG1 : rot -88:sc= 1.1 USER MOD Single : A 29 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.09) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 158:sc= -0.164 (180deg=-0.796) USER MOD Single : A 36 SER OG : rot -90:sc= -1 USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 1.03 (180deg=0.678) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 64 ASN : amide:sc= -2! X(o=-2!,f=-1.5) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.114 X(o=0.11,f=-0.08) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 169:sc= -0.709 (180deg=-1.15) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 141:sc= -0.349 (180deg=-1.64!) USER MOD Single : A 93 SER OG : rot -173:sc= -0.563 USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= -0.0781 (180deg=-0.841) USER MOD Single : A 101 SER OG : rot -56:sc= 0.616 USER MOD Single : A 104 MET CE :methyl 153:sc=-0.00907 (180deg=-0.783) USER MOD Single : A 105 TYR OH : rot -112:sc= 0.235 USER MOD Single : A 107 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 108 GLN : amide:sc= -4.65! C(o=-4.7!,f=-4.3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 169:sc= 0 (180deg=-0.162) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 8.324 -8.840 -7.013 1.00 0.00 N ATOM 128 CA SER A 12 8.248 -7.799 -8.031 1.00 0.00 C ATOM 129 C SER A 12 8.916 -6.516 -7.548 1.00 0.00 C ATOM 130 O SER A 12 8.748 -6.109 -6.398 1.00 0.00 O ATOM 131 CB SER A 12 6.789 -7.521 -8.398 1.00 0.00 C ATOM 132 OG SER A 12 6.685 -6.976 -9.702 1.00 0.00 O ATOM 0 HA SER A 12 8.777 -8.152 -8.916 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.214 -8.445 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.355 -6.830 -7.676 1.00 0.00 H new ATOM 0 HG SER A 12 5.743 -6.809 -9.913 1.00 0.00 H new ATOM 138 N LYS A 13 9.676 -5.882 -8.434 1.00 0.00 N ATOM 139 CA LYS A 13 10.371 -4.644 -8.101 1.00 0.00 C ATOM 140 C LYS A 13 9.546 -3.802 -7.132 1.00 0.00 C ATOM 141 O LYS A 13 10.086 -3.197 -6.204 1.00 0.00 O ATOM 142 CB LYS A 13 10.662 -3.841 -9.370 1.00 0.00 C ATOM 143 CG LYS A 13 11.635 -4.527 -10.314 1.00 0.00 C ATOM 144 CD LYS A 13 13.066 -4.419 -9.815 1.00 0.00 C ATOM 145 CE LYS A 13 14.064 -4.782 -10.904 1.00 0.00 C ATOM 146 NZ LYS A 13 15.375 -4.104 -10.704 1.00 0.00 N ATOM 0 H LYS A 13 9.827 -6.205 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 13 11.314 -4.904 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.726 -3.658 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.066 -2.868 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.363 -5.577 -10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.559 -4.079 -11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.256 -3.403 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.205 -5.078 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.212 -5.862 -10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.657 -4.505 -11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.027 -4.377 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.238 -3.073 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.776 -4.387 -9.787 1.00 0.00 H new ATOM 160 N LEU A 14 8.237 -3.767 -7.353 1.00 0.00 N ATOM 161 CA LEU A 14 7.337 -3.000 -6.498 1.00 0.00 C ATOM 162 C LEU A 14 7.284 -3.591 -5.093 1.00 0.00 C ATOM 163 O LEU A 14 7.567 -2.907 -4.108 1.00 0.00 O ATOM 164 CB LEU A 14 5.933 -2.966 -7.103 1.00 0.00 C ATOM 165 CG LEU A 14 4.815 -2.485 -6.177 1.00 0.00 C ATOM 166 CD1 LEU A 14 4.917 -0.985 -5.951 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.453 -2.848 -6.752 1.00 0.00 C ATOM 0 H LEU A 14 7.775 -4.260 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 14 7.721 -1.982 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.953 -2.321 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.684 -3.969 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 14 4.926 -2.985 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.113 -0.661 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.879 -0.750 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.832 -0.467 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.669 -2.498 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.332 -2.376 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.381 -3.930 -6.861 1.00 0.00 H new ATOM 179 N LEU A 15 6.922 -4.867 -5.007 1.00 0.00 N ATOM 180 CA LEU A 15 6.834 -5.552 -3.723 1.00 0.00 C ATOM 181 C LEU A 15 8.040 -5.225 -2.847 1.00 0.00 C ATOM 182 O LEU A 15 7.903 -4.616 -1.787 1.00 0.00 O ATOM 183 CB LEU A 15 6.740 -7.064 -3.935 1.00 0.00 C ATOM 184 CG LEU A 15 6.839 -7.926 -2.675 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.665 -7.654 -1.748 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.900 -9.402 -3.043 1.00 0.00 C ATOM 0 H LEU A 15 6.685 -5.447 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 15 5.934 -5.205 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.793 -7.283 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.533 -7.365 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 15 7.758 -7.664 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.753 -8.276 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.666 -6.603 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.733 -7.887 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.970 -10.001 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.999 -9.678 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.775 -9.586 -3.667 1.00 0.00 H new ATOM 198 N GLY A 16 9.222 -5.631 -3.300 1.00 0.00 N ATOM 199 CA GLY A 16 10.435 -5.370 -2.547 1.00 0.00 C ATOM 200 C GLY A 16 10.404 -4.027 -1.846 1.00 0.00 C ATOM 201 O GLY A 16 10.510 -3.956 -0.621 1.00 0.00 O ATOM 0 H GLY A 16 9.361 -6.136 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.577 -6.159 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.292 -5.405 -3.220 1.00 0.00 H new ATOM 205 N TRP A 17 10.261 -2.959 -2.622 1.00 0.00 N ATOM 206 CA TRP A 17 10.218 -1.611 -2.068 1.00 0.00 C ATOM 207 C TRP A 17 9.291 -1.549 -0.859 1.00 0.00 C ATOM 208 O TRP A 17 9.708 -1.168 0.235 1.00 0.00 O ATOM 209 CB TRP A 17 9.757 -0.614 -3.132 1.00 0.00 C ATOM 210 CG TRP A 17 9.901 0.816 -2.708 1.00 0.00 C ATOM 211 CD1 TRP A 17 11.054 1.548 -2.672 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.857 1.687 -2.259 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.789 2.821 -2.227 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.449 2.932 -1.968 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.480 1.537 -2.077 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.710 4.016 -1.504 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.748 2.614 -1.615 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.363 3.841 -1.334 1.00 0.00 C ATOM 0 H TRP A 17 10.173 -3.000 -3.637 1.00 0.00 H new ATOM 0 HA TRP A 17 11.225 -1.346 -1.745 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.332 -0.775 -4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.713 -0.810 -3.375 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.030 1.180 -2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.479 3.563 -2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.996 0.596 -2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.183 4.962 -1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.683 2.508 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.763 4.665 -0.976 1.00 0.00 H new ATOM 229 N CYS A 18 8.033 -1.924 -1.064 1.00 0.00 N ATOM 230 CA CYS A 18 7.047 -1.910 0.011 1.00 0.00 C ATOM 231 C CYS A 18 7.509 -2.766 1.185 1.00 0.00 C ATOM 232 O CYS A 18 7.324 -2.397 2.344 1.00 0.00 O ATOM 233 CB CYS A 18 5.696 -2.413 -0.502 1.00 0.00 C ATOM 234 SG CYS A 18 5.039 -1.470 -1.898 1.00 0.00 S ATOM 0 H CYS A 18 7.672 -2.241 -1.964 1.00 0.00 H new ATOM 0 HA CYS A 18 6.937 -0.882 0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.798 -3.457 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.975 -2.382 0.315 1.00 0.00 H new ATOM 0 HG CYS A 18 3.744 -1.408 -1.809 1.00 0.00 H new ATOM 240 N GLN A 19 8.111 -3.910 0.876 1.00 0.00 N ATOM 241 CA GLN A 19 8.598 -4.820 1.906 1.00 0.00 C ATOM 242 C GLN A 19 9.606 -4.124 2.814 1.00 0.00 C ATOM 243 O GLN A 19 9.577 -4.290 4.033 1.00 0.00 O ATOM 244 CB GLN A 19 9.235 -6.054 1.267 1.00 0.00 C ATOM 245 CG GLN A 19 8.255 -6.903 0.473 1.00 0.00 C ATOM 246 CD GLN A 19 8.633 -8.371 0.460 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.630 -9.241 0.465 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.814 -8.720 0.445 1.00 0.00 N flip ATOM 0 H GLN A 19 8.273 -4.229 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 19 7.747 -5.133 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.043 -5.736 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.683 -6.667 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.257 -6.792 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.208 -6.535 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.553 -8.017 0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.053 -9.712 0.436 1.00 0.00 H new ATOM 257 N ARG A 20 10.498 -3.344 2.211 1.00 0.00 N ATOM 258 CA ARG A 20 11.518 -2.625 2.965 1.00 0.00 C ATOM 259 C ARG A 20 10.920 -1.403 3.658 1.00 0.00 C ATOM 260 O ARG A 20 11.189 -1.152 4.832 1.00 0.00 O ATOM 261 CB ARG A 20 12.657 -2.193 2.040 1.00 0.00 C ATOM 262 CG ARG A 20 13.541 -3.342 1.585 1.00 0.00 C ATOM 263 CD ARG A 20 14.529 -3.747 2.668 1.00 0.00 C ATOM 264 NE ARG A 20 15.563 -2.736 2.872 1.00 0.00 N ATOM 265 CZ ARG A 20 16.618 -2.912 3.660 1.00 0.00 C ATOM 266 NH1 ARG A 20 16.777 -4.053 4.315 1.00 0.00 N ATOM 267 NH2 ARG A 20 17.516 -1.944 3.793 1.00 0.00 N ATOM 0 H ARG A 20 10.535 -3.194 1.203 1.00 0.00 H new ATOM 0 HA ARG A 20 11.913 -3.297 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.235 -1.701 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.272 -1.455 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.920 -4.197 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.084 -3.051 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.994 -3.912 3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.996 -4.694 2.397 1.00 0.00 H new ATOM 0 HE ARG A 20 15.470 -1.846 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.088 -4.799 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.588 -4.185 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.396 -1.065 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.326 -2.079 4.398 1.00 0.00 H new ATOM 281 N GLN A 21 10.109 -0.650 2.923 1.00 0.00 N ATOM 282 CA GLN A 21 9.475 0.545 3.467 1.00 0.00 C ATOM 283 C GLN A 21 8.541 0.189 4.618 1.00 0.00 C ATOM 284 O GLN A 21 8.728 0.644 5.748 1.00 0.00 O ATOM 285 CB GLN A 21 8.699 1.280 2.373 1.00 0.00 C ATOM 286 CG GLN A 21 9.580 1.810 1.253 1.00 0.00 C ATOM 287 CD GLN A 21 10.888 2.383 1.762 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.912 3.436 2.399 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.986 1.690 1.482 1.00 0.00 N ATOM 0 H GLN A 21 9.875 -0.846 1.950 1.00 0.00 H new ATOM 0 HA GLN A 21 10.259 1.200 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.955 0.604 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.156 2.112 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.790 1.005 0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.039 2.581 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.919 0.822 0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.896 2.026 1.798 1.00 0.00 H new ATOM 298 N THR A 22 7.533 -0.627 4.326 1.00 0.00 N ATOM 299 CA THR A 22 6.568 -1.042 5.336 1.00 0.00 C ATOM 300 C THR A 22 7.267 -1.638 6.552 1.00 0.00 C ATOM 301 O THR A 22 6.837 -1.437 7.688 1.00 0.00 O ATOM 302 CB THR A 22 5.575 -2.076 4.772 1.00 0.00 C ATOM 303 OG1 THR A 22 6.273 -3.261 4.376 1.00 0.00 O ATOM 304 CG2 THR A 22 4.818 -1.506 3.582 1.00 0.00 C ATOM 0 H THR A 22 7.364 -1.014 3.397 1.00 0.00 H new ATOM 0 HA THR A 22 6.021 -0.149 5.636 1.00 0.00 H new ATOM 0 HB THR A 22 4.858 -2.322 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.579 -3.166 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.123 -2.254 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.264 -0.621 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.524 -1.234 2.798 1.00 0.00 H new ATOM 312 N ASP A 23 8.349 -2.369 6.308 1.00 0.00 N ATOM 313 CA ASP A 23 9.110 -2.993 7.384 1.00 0.00 C ATOM 314 C ASP A 23 9.244 -2.046 8.573 1.00 0.00 C ATOM 315 O ASP A 23 9.565 -0.870 8.410 1.00 0.00 O ATOM 316 CB ASP A 23 10.496 -3.405 6.886 1.00 0.00 C ATOM 317 CG ASP A 23 11.327 -4.066 7.967 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.031 -5.228 8.316 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.273 -3.422 8.466 1.00 0.00 O ATOM 0 H ASP A 23 8.719 -2.544 5.374 1.00 0.00 H new ATOM 0 HA ASP A 23 8.571 -3.883 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.388 -4.090 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.022 -2.525 6.515 1.00 0.00 H new ATOM 324 N GLY A 24 8.995 -2.569 9.770 1.00 0.00 N ATOM 325 CA GLY A 24 9.092 -1.757 10.969 1.00 0.00 C ATOM 326 C GLY A 24 7.761 -1.607 11.678 1.00 0.00 C ATOM 327 O GLY A 24 7.703 -1.586 12.908 1.00 0.00 O ATOM 0 H GLY A 24 8.728 -3.540 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.814 -2.206 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.473 -0.770 10.706 1.00 0.00 H new ATOM 331 N TYR A 25 6.688 -1.502 10.902 1.00 0.00 N ATOM 332 CA TYR A 25 5.351 -1.350 11.463 1.00 0.00 C ATOM 333 C TYR A 25 5.001 -2.530 12.365 1.00 0.00 C ATOM 334 O TYR A 25 5.831 -3.403 12.614 1.00 0.00 O ATOM 335 CB TYR A 25 4.316 -1.225 10.343 1.00 0.00 C ATOM 336 CG TYR A 25 4.135 0.190 9.842 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.124 0.815 9.093 1.00 0.00 C ATOM 338 CD2 TYR A 25 2.973 0.901 10.116 1.00 0.00 C ATOM 339 CE1 TYR A 25 4.963 2.108 8.634 1.00 0.00 C ATOM 340 CE2 TYR A 25 2.802 2.194 9.660 1.00 0.00 C ATOM 341 CZ TYR A 25 3.800 2.793 8.920 1.00 0.00 C ATOM 342 OH TYR A 25 3.635 4.081 8.463 1.00 0.00 O ATOM 0 H TYR A 25 6.718 -1.519 9.883 1.00 0.00 H new ATOM 0 HA TYR A 25 5.338 -0.441 12.064 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.616 -1.861 9.510 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.357 -1.600 10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.035 0.281 8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.190 0.435 10.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.743 2.580 8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.892 2.732 9.882 1.00 0.00 H new ATOM 0 HH TYR A 25 3.708 4.093 7.486 1.00 0.00 H new ATOM 352 N ALA A 26 3.764 -2.548 12.850 1.00 0.00 N ATOM 353 CA ALA A 26 3.301 -3.621 13.722 1.00 0.00 C ATOM 354 C ALA A 26 2.293 -4.514 13.006 1.00 0.00 C ATOM 355 O ALA A 26 1.261 -4.044 12.530 1.00 0.00 O ATOM 356 CB ALA A 26 2.690 -3.044 14.990 1.00 0.00 C ATOM 0 H ALA A 26 3.064 -1.832 12.654 1.00 0.00 H new ATOM 0 HA ALA A 26 4.162 -4.233 13.992 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.349 -3.856 15.632 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.439 -2.454 15.519 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.844 -2.408 14.729 1.00 0.00 H new ATOM 362 N GLY A 27 2.601 -5.805 12.933 1.00 0.00 N ATOM 363 CA GLY A 27 1.712 -6.743 12.273 1.00 0.00 C ATOM 364 C GLY A 27 1.466 -6.385 10.820 1.00 0.00 C ATOM 365 O GLY A 27 0.370 -6.591 10.299 1.00 0.00 O ATOM 0 H GLY A 27 3.450 -6.218 13.319 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.138 -7.745 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.760 -6.771 12.803 1.00 0.00 H new ATOM 369 N VAL A 28 2.488 -5.844 10.165 1.00 0.00 N ATOM 370 CA VAL A 28 2.378 -5.456 8.764 1.00 0.00 C ATOM 371 C VAL A 28 3.400 -6.193 7.907 1.00 0.00 C ATOM 372 O VAL A 28 4.328 -5.588 7.370 1.00 0.00 O ATOM 373 CB VAL A 28 2.574 -3.938 8.585 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.693 -3.585 7.111 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.430 -3.174 9.234 1.00 0.00 C ATOM 0 H VAL A 28 3.401 -5.664 10.582 1.00 0.00 H new ATOM 0 HA VAL A 28 1.373 -5.727 8.439 1.00 0.00 H new ATOM 0 HB VAL A 28 3.501 -3.648 9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.831 -2.509 7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.549 -4.105 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.785 -3.888 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.584 -2.104 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.488 -3.467 8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.397 -3.404 10.299 1.00 0.00 H new ATOM 385 N ASN A 29 3.224 -7.505 7.782 1.00 0.00 N ATOM 386 CA ASN A 29 4.132 -8.326 6.989 1.00 0.00 C ATOM 387 C ASN A 29 3.641 -8.445 5.550 1.00 0.00 C ATOM 388 O ASN A 29 2.789 -9.277 5.239 1.00 0.00 O ATOM 389 CB ASN A 29 4.267 -9.718 7.610 1.00 0.00 C ATOM 390 CG ASN A 29 4.891 -10.718 6.657 1.00 0.00 C ATOM 391 OD1 ASN A 29 6.079 -10.636 6.343 1.00 0.00 O ATOM 392 ND2 ASN A 29 4.091 -11.670 6.190 1.00 0.00 N ATOM 0 H ASN A 29 2.461 -8.022 8.220 1.00 0.00 H new ATOM 0 HA ASN A 29 5.108 -7.842 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.874 -9.653 8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.283 -10.075 7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.455 -12.371 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.113 -11.700 6.477 1.00 0.00 H new ATOM 399 N VAL A 30 4.187 -7.606 4.674 1.00 0.00 N ATOM 400 CA VAL A 30 3.807 -7.618 3.266 1.00 0.00 C ATOM 401 C VAL A 30 4.508 -8.745 2.516 1.00 0.00 C ATOM 402 O VAL A 30 5.652 -8.600 2.084 1.00 0.00 O ATOM 403 CB VAL A 30 4.139 -6.277 2.584 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.913 -6.371 1.083 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.311 -5.153 3.187 1.00 0.00 C ATOM 0 H VAL A 30 4.893 -6.910 4.915 1.00 0.00 H new ATOM 0 HA VAL A 30 2.729 -7.778 3.231 1.00 0.00 H new ATOM 0 HB VAL A 30 5.192 -6.053 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.153 -5.415 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.554 -7.148 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.870 -6.618 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.559 -4.213 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.251 -5.367 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.529 -5.072 4.252 1.00 0.00 H new ATOM 415 N THR A 31 3.815 -9.869 2.365 1.00 0.00 N ATOM 416 CA THR A 31 4.371 -11.022 1.669 1.00 0.00 C ATOM 417 C THR A 31 3.765 -11.169 0.278 1.00 0.00 C ATOM 418 O THR A 31 4.413 -11.669 -0.642 1.00 0.00 O ATOM 419 CB THR A 31 4.135 -12.323 2.459 1.00 0.00 C ATOM 420 OG1 THR A 31 4.661 -13.440 1.732 1.00 0.00 O ATOM 421 CG2 THR A 31 2.652 -12.535 2.722 1.00 0.00 C ATOM 0 H THR A 31 2.867 -10.005 2.716 1.00 0.00 H new ATOM 0 HA THR A 31 5.444 -10.850 1.579 1.00 0.00 H new ATOM 0 HB THR A 31 4.649 -12.239 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.508 -14.263 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.510 -13.460 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.262 -11.698 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.120 -12.600 1.773 1.00 0.00 H new ATOM 429 N ASP A 32 2.520 -10.729 0.131 1.00 0.00 N ATOM 430 CA ASP A 32 1.827 -10.810 -1.150 1.00 0.00 C ATOM 431 C ASP A 32 1.527 -9.417 -1.694 1.00 0.00 C ATOM 432 O ASP A 32 1.942 -8.410 -1.117 1.00 0.00 O ATOM 433 CB ASP A 32 0.528 -11.604 -1.002 1.00 0.00 C ATOM 434 CG ASP A 32 0.764 -13.008 -0.483 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.680 -13.685 -0.998 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.035 -13.431 0.438 1.00 0.00 O ATOM 0 H ASP A 32 1.970 -10.313 0.883 1.00 0.00 H new ATOM 0 HA ASP A 32 2.479 -11.324 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.142 -11.076 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.026 -11.656 -1.968 1.00 0.00 H new ATOM 441 N LEU A 33 0.805 -9.365 -2.808 1.00 0.00 N ATOM 442 CA LEU A 33 0.450 -8.095 -3.432 1.00 0.00 C ATOM 443 C LEU A 33 -1.049 -8.023 -3.706 1.00 0.00 C ATOM 444 O LEU A 33 -1.510 -7.189 -4.485 1.00 0.00 O ATOM 445 CB LEU A 33 1.228 -7.909 -4.736 1.00 0.00 C ATOM 446 CG LEU A 33 2.742 -7.752 -4.598 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.418 -7.877 -5.954 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.083 -6.417 -3.951 1.00 0.00 C ATOM 0 H LEU A 33 0.454 -10.188 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 33 0.713 -7.294 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.029 -8.766 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.837 -7.029 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 33 3.113 -8.550 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.495 -7.762 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.202 -8.857 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.042 -7.101 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.165 -6.322 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.698 -5.605 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.630 -6.366 -2.961 1.00 0.00 H new ATOM 460 N THR A 34 -1.806 -8.902 -3.057 1.00 0.00 N ATOM 461 CA THR A 34 -3.253 -8.938 -3.230 1.00 0.00 C ATOM 462 C THR A 34 -3.967 -8.963 -1.883 1.00 0.00 C ATOM 463 O THR A 34 -4.774 -8.084 -1.582 1.00 0.00 O ATOM 464 CB THR A 34 -3.691 -10.165 -4.052 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.763 -11.239 -3.861 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.779 -9.821 -5.531 1.00 0.00 C ATOM 0 H THR A 34 -1.441 -9.598 -2.407 1.00 0.00 H new ATOM 0 HA THR A 34 -3.529 -8.032 -3.769 1.00 0.00 H new ATOM 0 HB THR A 34 -4.678 -10.473 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.049 -12.016 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.090 -10.702 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.507 -9.023 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.803 -9.491 -5.886 1.00 0.00 H new ATOM 474 N MET A 35 -3.664 -9.974 -1.076 1.00 0.00 N ATOM 475 CA MET A 35 -4.276 -10.111 0.240 1.00 0.00 C ATOM 476 C MET A 35 -3.485 -9.338 1.291 1.00 0.00 C ATOM 477 O MET A 35 -4.038 -8.900 2.299 1.00 0.00 O ATOM 478 CB MET A 35 -4.364 -11.587 0.635 1.00 0.00 C ATOM 479 CG MET A 35 -3.014 -12.284 0.685 1.00 0.00 C ATOM 480 SD MET A 35 -3.160 -14.061 0.951 1.00 0.00 S ATOM 481 CE MET A 35 -3.913 -14.574 -0.591 1.00 0.00 C ATOM 0 H MET A 35 -2.998 -10.710 -1.310 1.00 0.00 H new ATOM 0 HA MET A 35 -5.282 -9.695 0.189 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.841 -11.665 1.612 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.006 -12.107 -0.076 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.481 -12.103 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.414 -11.849 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.718 -15.634 -0.756 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.989 -14.406 -0.544 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.491 -13.995 -1.412 1.00 0.00 H new ATOM 491 N SER A 36 -2.188 -9.175 1.047 1.00 0.00 N ATOM 492 CA SER A 36 -1.321 -8.459 1.975 1.00 0.00 C ATOM 493 C SER A 36 -1.843 -7.048 2.228 1.00 0.00 C ATOM 494 O SER A 36 -1.660 -6.492 3.310 1.00 0.00 O ATOM 495 CB SER A 36 0.106 -8.396 1.426 1.00 0.00 C ATOM 496 OG SER A 36 0.850 -7.368 2.057 1.00 0.00 O ATOM 0 H SER A 36 -1.715 -9.529 0.215 1.00 0.00 H new ATOM 0 HA SER A 36 -1.316 -9.001 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.601 -9.355 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.078 -8.221 0.350 1.00 0.00 H new ATOM 0 HG SER A 36 0.747 -6.534 1.553 1.00 0.00 H new ATOM 502 N TRP A 37 -2.494 -6.476 1.221 1.00 0.00 N ATOM 503 CA TRP A 37 -3.044 -5.130 1.334 1.00 0.00 C ATOM 504 C TRP A 37 -4.515 -5.174 1.729 1.00 0.00 C ATOM 505 O TRP A 37 -5.023 -4.257 2.375 1.00 0.00 O ATOM 506 CB TRP A 37 -2.880 -4.378 0.012 1.00 0.00 C ATOM 507 CG TRP A 37 -1.468 -4.361 -0.491 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.868 -5.301 -1.280 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.480 -3.357 -0.238 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.434 -4.940 -1.532 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.696 -3.751 -0.905 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.475 -2.161 0.486 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.863 -2.993 -0.867 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.684 -1.410 0.523 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.840 -1.827 -0.151 1.00 0.00 C ATOM 0 H TRP A 37 -2.654 -6.923 0.318 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.494 -4.604 2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.521 -4.837 -0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.225 -3.352 0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.346 -6.196 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.098 -5.472 -2.095 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.361 -1.830 1.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.755 -3.314 -1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.700 -0.485 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.730 -1.216 -0.104 1.00 0.00 H new ATOM 526 N LYS A 38 -5.197 -6.245 1.337 1.00 0.00 N ATOM 527 CA LYS A 38 -6.611 -6.410 1.652 1.00 0.00 C ATOM 528 C LYS A 38 -6.927 -5.863 3.040 1.00 0.00 C ATOM 529 O LYS A 38 -7.948 -5.206 3.241 1.00 0.00 O ATOM 530 CB LYS A 38 -7.004 -7.887 1.572 1.00 0.00 C ATOM 531 CG LYS A 38 -7.499 -8.311 0.200 1.00 0.00 C ATOM 532 CD LYS A 38 -8.041 -9.731 0.217 1.00 0.00 C ATOM 533 CE LYS A 38 -9.480 -9.772 0.709 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.851 -11.119 1.225 1.00 0.00 N ATOM 0 H LYS A 38 -4.793 -7.012 0.800 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.189 -5.847 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.144 -8.499 1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.783 -8.088 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.279 -7.627 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.684 -8.240 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.986 -10.155 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.417 -10.352 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.616 -9.031 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.150 -9.498 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.650 -11.030 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.124 -11.732 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.038 -11.537 1.721 1.00 0.00 H new ATOM 548 N SER A 39 -6.044 -6.139 3.995 1.00 0.00 N ATOM 549 CA SER A 39 -6.230 -5.677 5.365 1.00 0.00 C ATOM 550 C SER A 39 -6.321 -4.155 5.417 1.00 0.00 C ATOM 551 O SER A 39 -7.179 -3.596 6.099 1.00 0.00 O ATOM 552 CB SER A 39 -5.080 -6.161 6.250 1.00 0.00 C ATOM 553 OG SER A 39 -3.883 -6.294 5.503 1.00 0.00 O ATOM 0 H SER A 39 -5.193 -6.680 3.845 1.00 0.00 H new ATOM 0 HA SER A 39 -7.166 -6.093 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.926 -5.457 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.341 -7.119 6.699 1.00 0.00 H new ATOM 0 HG SER A 39 -3.163 -6.603 6.091 1.00 0.00 H new ATOM 559 N GLY A 40 -5.429 -3.489 4.690 1.00 0.00 N ATOM 560 CA GLY A 40 -5.424 -2.038 4.667 1.00 0.00 C ATOM 561 C GLY A 40 -4.210 -1.451 5.359 1.00 0.00 C ATOM 562 O GLY A 40 -3.593 -0.511 4.855 1.00 0.00 O ATOM 0 H GLY A 40 -4.709 -3.929 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.451 -1.694 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.328 -1.667 5.150 1.00 0.00 H new ATOM 566 N LEU A 41 -3.866 -2.003 6.517 1.00 0.00 N ATOM 567 CA LEU A 41 -2.718 -1.527 7.281 1.00 0.00 C ATOM 568 C LEU A 41 -1.568 -1.145 6.354 1.00 0.00 C ATOM 569 O LEU A 41 -1.198 0.024 6.258 1.00 0.00 O ATOM 570 CB LEU A 41 -2.257 -2.601 8.268 1.00 0.00 C ATOM 571 CG LEU A 41 -3.291 -3.052 9.300 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.771 -4.241 10.093 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.651 -1.903 10.232 1.00 0.00 C ATOM 0 H LEU A 41 -4.366 -2.781 6.948 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.024 -0.640 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.935 -3.474 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.382 -2.226 8.799 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.193 -3.361 8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.521 -4.548 10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.565 -5.069 9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.854 -3.960 10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.388 -2.242 10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.756 -1.563 10.753 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.067 -1.080 9.651 1.00 0.00 H new ATOM 585 N ALA A 42 -1.009 -2.140 5.672 1.00 0.00 N ATOM 586 CA ALA A 42 0.096 -1.907 4.750 1.00 0.00 C ATOM 587 C ALA A 42 -0.079 -0.588 4.006 1.00 0.00 C ATOM 588 O ALA A 42 0.747 0.319 4.126 1.00 0.00 O ATOM 589 CB ALA A 42 0.212 -3.060 3.764 1.00 0.00 C ATOM 0 H ALA A 42 -1.303 -3.114 5.741 1.00 0.00 H new ATOM 0 HA ALA A 42 1.016 -1.847 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.041 -2.873 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.392 -3.987 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.714 -3.147 3.195 1.00 0.00 H new ATOM 595 N LEU A 43 -1.157 -0.486 3.237 1.00 0.00 N ATOM 596 CA LEU A 43 -1.440 0.723 2.472 1.00 0.00 C ATOM 597 C LEU A 43 -1.310 1.965 3.348 1.00 0.00 C ATOM 598 O LEU A 43 -0.756 2.981 2.925 1.00 0.00 O ATOM 599 CB LEU A 43 -2.845 0.654 1.872 1.00 0.00 C ATOM 600 CG LEU A 43 -3.228 1.792 0.925 1.00 0.00 C ATOM 601 CD1 LEU A 43 -2.247 1.874 -0.235 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.648 1.605 0.413 1.00 0.00 C ATOM 0 H LEU A 43 -1.850 -1.226 3.127 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.710 0.791 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.942 -0.288 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.566 0.630 2.689 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.184 2.730 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.535 2.689 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.243 2.057 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.258 0.935 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.903 2.424 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.720 0.659 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.340 1.598 1.255 1.00 0.00 H new ATOM 614 N CYS A 44 -1.820 1.876 4.571 1.00 0.00 N ATOM 615 CA CYS A 44 -1.760 2.992 5.508 1.00 0.00 C ATOM 616 C CYS A 44 -0.324 3.253 5.951 1.00 0.00 C ATOM 617 O CYS A 44 0.080 4.400 6.136 1.00 0.00 O ATOM 618 CB CYS A 44 -2.639 2.709 6.728 1.00 0.00 C ATOM 619 SG CYS A 44 -4.373 2.390 6.330 1.00 0.00 S ATOM 0 H CYS A 44 -2.280 1.042 4.937 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.132 3.881 5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.235 1.848 7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.584 3.560 7.407 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.912 1.682 7.277 1.00 0.00 H new ATOM 625 N ALA A 45 0.442 2.180 6.120 1.00 0.00 N ATOM 626 CA ALA A 45 1.833 2.293 6.540 1.00 0.00 C ATOM 627 C ALA A 45 2.676 2.979 5.470 1.00 0.00 C ATOM 628 O ALA A 45 3.670 3.638 5.777 1.00 0.00 O ATOM 629 CB ALA A 45 2.401 0.919 6.862 1.00 0.00 C ATOM 0 H ALA A 45 0.122 1.223 5.972 1.00 0.00 H new ATOM 0 HA ALA A 45 1.866 2.907 7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.441 1.019 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.822 0.466 7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.348 0.286 5.976 1.00 0.00 H new ATOM 635 N ILE A 46 2.274 2.818 4.214 1.00 0.00 N ATOM 636 CA ILE A 46 2.993 3.422 3.099 1.00 0.00 C ATOM 637 C ILE A 46 2.904 4.944 3.147 1.00 0.00 C ATOM 638 O ILE A 46 3.918 5.631 3.278 1.00 0.00 O ATOM 639 CB ILE A 46 2.448 2.930 1.745 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.580 1.410 1.640 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.181 3.612 0.600 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.005 0.917 1.760 1.00 0.00 C ATOM 0 H ILE A 46 1.455 2.275 3.943 1.00 0.00 H new ATOM 0 HA ILE A 46 4.035 3.118 3.194 1.00 0.00 H new ATOM 0 HB ILE A 46 1.391 3.189 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.977 0.946 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.170 1.083 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.785 3.254 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.040 4.691 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.245 3.381 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.022 -0.170 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.609 1.352 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.412 1.213 2.727 1.00 0.00 H new ATOM 654 N ILE A 47 1.686 5.463 3.043 1.00 0.00 N ATOM 655 CA ILE A 47 1.465 6.904 3.078 1.00 0.00 C ATOM 656 C ILE A 47 2.035 7.517 4.353 1.00 0.00 C ATOM 657 O ILE A 47 2.733 8.530 4.309 1.00 0.00 O ATOM 658 CB ILE A 47 -0.034 7.246 2.984 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.621 6.706 1.678 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.241 8.750 3.083 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.127 6.565 1.706 1.00 0.00 C ATOM 0 H ILE A 47 0.837 4.908 2.934 1.00 0.00 H new ATOM 0 HA ILE A 47 1.980 7.323 2.214 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.553 6.772 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.341 7.371 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.177 5.734 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.305 8.976 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.146 9.109 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.288 9.244 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.474 6.177 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.413 5.877 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.580 7.539 1.889 1.00 0.00 H new ATOM 673 N HIS A 48 1.735 6.894 5.488 1.00 0.00 N ATOM 674 CA HIS A 48 2.220 7.377 6.776 1.00 0.00 C ATOM 675 C HIS A 48 3.745 7.359 6.824 1.00 0.00 C ATOM 676 O HIS A 48 4.374 8.333 7.237 1.00 0.00 O ATOM 677 CB HIS A 48 1.653 6.524 7.911 1.00 0.00 C ATOM 678 CG HIS A 48 2.069 6.986 9.274 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.379 6.976 9.704 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.339 7.475 10.304 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.437 7.438 10.941 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.213 7.748 11.328 1.00 0.00 N ATOM 0 H HIS A 48 1.159 6.054 5.542 1.00 0.00 H new ATOM 0 HA HIS A 48 1.882 8.406 6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.565 6.531 7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.973 5.491 7.773 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.269 7.623 10.318 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.333 7.544 11.534 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.958 8.128 12.239 1.00 0.00 H new ATOM 691 N ARG A 49 4.332 6.244 6.400 1.00 0.00 N ATOM 692 CA ARG A 49 5.783 6.099 6.397 1.00 0.00 C ATOM 693 C ARG A 49 6.462 7.430 6.087 1.00 0.00 C ATOM 694 O ARG A 49 7.306 7.900 6.850 1.00 0.00 O ATOM 695 CB ARG A 49 6.209 5.046 5.372 1.00 0.00 C ATOM 696 CG ARG A 49 7.716 4.925 5.213 1.00 0.00 C ATOM 697 CD ARG A 49 8.325 4.073 6.315 1.00 0.00 C ATOM 698 NE ARG A 49 9.778 4.208 6.371 1.00 0.00 N ATOM 699 CZ ARG A 49 10.496 3.983 7.466 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.898 3.614 8.590 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.815 4.127 7.437 1.00 0.00 N ATOM 0 H ARG A 49 3.826 5.429 6.055 1.00 0.00 H new ATOM 0 HA ARG A 49 6.093 5.776 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.805 4.078 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.769 5.293 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.947 4.486 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.166 5.918 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.897 4.362 7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.064 3.027 6.151 1.00 0.00 H new ATOM 0 HE ARG A 49 10.269 4.491 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.884 3.502 8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.451 3.442 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.278 4.411 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.366 3.954 8.278 1.00 0.00 H new ATOM 715 N TYR A 50 6.088 8.031 4.963 1.00 0.00 N ATOM 716 CA TYR A 50 6.663 9.306 4.550 1.00 0.00 C ATOM 717 C TYR A 50 5.863 10.474 5.120 1.00 0.00 C ATOM 718 O TYR A 50 6.426 11.399 5.705 1.00 0.00 O ATOM 719 CB TYR A 50 6.706 9.400 3.024 1.00 0.00 C ATOM 720 CG TYR A 50 7.654 8.411 2.384 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.346 7.057 2.331 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.859 8.830 1.833 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.209 6.150 1.747 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.728 7.930 1.246 1.00 0.00 C ATOM 725 CZ TYR A 50 9.398 6.591 1.206 1.00 0.00 C ATOM 726 OH TYR A 50 10.261 5.692 0.624 1.00 0.00 O ATOM 0 H TYR A 50 5.389 7.656 4.322 1.00 0.00 H new ATOM 0 HA TYR A 50 7.680 9.360 4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.703 9.237 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.000 10.410 2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.416 6.708 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.121 9.877 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.954 5.101 1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.660 8.273 0.821 1.00 0.00 H new ATOM 0 HH TYR A 50 10.459 4.971 1.258 1.00 0.00 H new ATOM 736 N ARG A 51 4.547 10.422 4.945 1.00 0.00 N ATOM 737 CA ARG A 51 3.668 11.475 5.440 1.00 0.00 C ATOM 738 C ARG A 51 2.642 10.911 6.418 1.00 0.00 C ATOM 739 O ARG A 51 1.593 10.397 6.027 1.00 0.00 O ATOM 740 CB ARG A 51 2.954 12.163 4.275 1.00 0.00 C ATOM 741 CG ARG A 51 3.900 12.705 3.216 1.00 0.00 C ATOM 742 CD ARG A 51 4.577 13.987 3.676 1.00 0.00 C ATOM 743 NE ARG A 51 3.785 15.170 3.353 1.00 0.00 N ATOM 744 CZ ARG A 51 4.294 16.395 3.271 1.00 0.00 C ATOM 745 NH1 ARG A 51 5.586 16.595 3.487 1.00 0.00 N ATOM 746 NH2 ARG A 51 3.509 17.422 2.972 1.00 0.00 N ATOM 0 H ARG A 51 4.066 9.662 4.464 1.00 0.00 H new ATOM 0 HA ARG A 51 4.280 12.208 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.269 11.454 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.349 12.982 4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.657 11.955 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.347 12.894 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.742 13.944 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.557 14.068 3.207 1.00 0.00 H new ATOM 0 HE ARG A 51 2.787 15.050 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.193 15.808 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.974 17.536 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.514 17.272 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.900 18.362 2.909 1.00 0.00 H new ATOM 760 N PRO A 52 2.948 11.009 7.720 1.00 0.00 N ATOM 761 CA PRO A 52 2.065 10.514 8.780 1.00 0.00 C ATOM 762 C PRO A 52 0.797 11.350 8.916 1.00 0.00 C ATOM 763 O PRO A 52 -0.285 10.817 9.163 1.00 0.00 O ATOM 764 CB PRO A 52 2.924 10.636 10.042 1.00 0.00 C ATOM 765 CG PRO A 52 3.903 11.715 9.731 1.00 0.00 C ATOM 766 CD PRO A 52 4.180 11.610 8.257 1.00 0.00 C ATOM 0 HA PRO A 52 1.717 9.501 8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.317 10.891 10.911 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.429 9.697 10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.497 12.695 9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.818 11.590 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.377 12.587 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.052 10.987 8.055 1.00 0.00 H new ATOM 774 N ASP A 53 0.938 12.661 8.753 1.00 0.00 N ATOM 775 CA ASP A 53 -0.197 13.570 8.856 1.00 0.00 C ATOM 776 C ASP A 53 -1.350 13.102 7.974 1.00 0.00 C ATOM 777 O ASP A 53 -2.451 12.840 8.461 1.00 0.00 O ATOM 778 CB ASP A 53 0.220 14.988 8.460 1.00 0.00 C ATOM 779 CG ASP A 53 -0.842 16.017 8.789 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.459 15.908 9.870 1.00 0.00 O ATOM 781 OD2 ASP A 53 -1.058 16.932 7.967 1.00 0.00 O ATOM 0 H ASP A 53 1.827 13.118 8.549 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.534 13.574 9.893 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.145 15.248 8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.430 15.016 7.391 1.00 0.00 H new ATOM 786 N LEU A 54 -1.091 12.998 6.675 1.00 0.00 N ATOM 787 CA LEU A 54 -2.108 12.562 5.724 1.00 0.00 C ATOM 788 C LEU A 54 -2.966 11.448 6.317 1.00 0.00 C ATOM 789 O LEU A 54 -4.164 11.625 6.538 1.00 0.00 O ATOM 790 CB LEU A 54 -1.451 12.080 4.430 1.00 0.00 C ATOM 791 CG LEU A 54 -0.429 13.030 3.803 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.208 12.394 2.577 1.00 0.00 C ATOM 793 CD2 LEU A 54 -1.084 14.354 3.439 1.00 0.00 C ATOM 0 H LEU A 54 -0.185 13.210 6.256 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.752 13.413 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.959 11.128 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.235 11.887 3.698 1.00 0.00 H new ATOM 0 HG LEU A 54 0.354 13.225 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.932 13.084 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.713 11.472 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.564 12.169 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.342 15.017 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.888 14.178 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.492 14.817 4.337 1.00 0.00 H new ATOM 805 N ILE A 55 -2.344 10.303 6.574 1.00 0.00 N ATOM 806 CA ILE A 55 -3.049 9.162 7.145 1.00 0.00 C ATOM 807 C ILE A 55 -2.537 8.843 8.545 1.00 0.00 C ATOM 808 O ILE A 55 -1.333 8.697 8.758 1.00 0.00 O ATOM 809 CB ILE A 55 -2.905 7.910 6.259 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.941 6.856 6.655 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.497 7.344 6.368 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.367 5.967 5.508 1.00 0.00 C ATOM 0 H ILE A 55 -1.353 10.140 6.396 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.102 9.438 7.201 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.082 8.194 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.530 6.236 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.820 7.357 7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.410 6.460 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.777 8.095 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.294 7.072 7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.102 5.244 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.808 6.577 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.498 5.438 5.115 1.00 0.00 H new ATOM 824 N ASP A 56 -3.458 8.733 9.496 1.00 0.00 N ATOM 825 CA ASP A 56 -3.100 8.428 10.876 1.00 0.00 C ATOM 826 C ASP A 56 -3.205 6.930 11.146 1.00 0.00 C ATOM 827 O ASP A 56 -4.303 6.385 11.265 1.00 0.00 O ATOM 828 CB ASP A 56 -4.003 9.197 11.842 1.00 0.00 C ATOM 829 CG ASP A 56 -3.337 9.450 13.180 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.089 9.468 13.227 1.00 0.00 O ATOM 831 OD2 ASP A 56 -4.063 9.630 14.180 1.00 0.00 O ATOM 0 H ASP A 56 -4.459 8.851 9.336 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.066 8.736 11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.283 10.150 11.393 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.924 8.636 11.998 1.00 0.00 H new ATOM 836 N PHE A 57 -2.056 6.269 11.240 1.00 0.00 N ATOM 837 CA PHE A 57 -2.018 4.833 11.493 1.00 0.00 C ATOM 838 C PHE A 57 -2.325 4.531 12.957 1.00 0.00 C ATOM 839 O PHE A 57 -3.070 3.601 13.267 1.00 0.00 O ATOM 840 CB PHE A 57 -0.648 4.264 11.120 1.00 0.00 C ATOM 841 CG PHE A 57 -0.652 2.775 10.921 1.00 0.00 C ATOM 842 CD1 PHE A 57 -1.100 2.223 9.732 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.207 1.928 11.923 1.00 0.00 C ATOM 844 CE1 PHE A 57 -1.105 0.853 9.545 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.209 0.558 11.742 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.659 0.020 10.552 1.00 0.00 C ATOM 0 H PHE A 57 -1.139 6.705 11.145 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.781 4.360 10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.301 4.744 10.205 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.067 4.516 11.903 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.450 2.871 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.145 2.343 12.856 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.457 0.435 8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.141 -0.092 12.531 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.662 -1.051 10.409 1.00 0.00 H new ATOM 856 N ASP A 58 -1.745 5.323 13.852 1.00 0.00 N ATOM 857 CA ASP A 58 -1.956 5.142 15.284 1.00 0.00 C ATOM 858 C ASP A 58 -3.441 4.991 15.600 1.00 0.00 C ATOM 859 O ASP A 58 -3.840 4.092 16.339 1.00 0.00 O ATOM 860 CB ASP A 58 -1.375 6.325 16.060 1.00 0.00 C ATOM 861 CG ASP A 58 0.135 6.406 15.947 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.804 5.376 16.175 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.647 7.499 15.629 1.00 0.00 O ATOM 0 H ASP A 58 -1.125 6.097 13.612 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.443 4.230 15.589 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.814 7.251 15.688 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.654 6.239 17.110 1.00 0.00 H new ATOM 868 N SER A 59 -4.254 5.878 15.035 1.00 0.00 N ATOM 869 CA SER A 59 -5.695 5.846 15.260 1.00 0.00 C ATOM 870 C SER A 59 -6.309 4.580 14.669 1.00 0.00 C ATOM 871 O SER A 59 -7.102 3.898 15.320 1.00 0.00 O ATOM 872 CB SER A 59 -6.355 7.081 14.646 1.00 0.00 C ATOM 873 OG SER A 59 -7.761 7.050 14.826 1.00 0.00 O ATOM 0 H SER A 59 -3.940 6.627 14.418 1.00 0.00 H new ATOM 0 HA SER A 59 -5.870 5.846 16.336 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.946 7.982 15.104 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.122 7.131 13.582 1.00 0.00 H new ATOM 0 HG SER A 59 -8.160 7.851 14.426 1.00 0.00 H new ATOM 879 N LEU A 60 -5.937 4.272 13.432 1.00 0.00 N ATOM 880 CA LEU A 60 -6.451 3.088 12.751 1.00 0.00 C ATOM 881 C LEU A 60 -6.216 1.834 13.588 1.00 0.00 C ATOM 882 O LEU A 60 -5.231 1.740 14.320 1.00 0.00 O ATOM 883 CB LEU A 60 -5.786 2.934 11.382 1.00 0.00 C ATOM 884 CG LEU A 60 -6.096 4.026 10.358 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.101 3.978 9.209 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.520 3.883 9.841 1.00 0.00 C ATOM 0 H LEU A 60 -5.282 4.825 12.880 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.525 3.215 12.614 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.706 2.896 11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.085 1.974 10.961 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.005 4.995 10.849 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.337 4.762 8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.093 4.131 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.159 3.007 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.723 4.668 9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.639 2.909 9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.219 3.969 10.673 1.00 0.00 H new ATOM 898 N ASP A 61 -7.126 0.873 13.472 1.00 0.00 N ATOM 899 CA ASP A 61 -7.016 -0.377 14.215 1.00 0.00 C ATOM 900 C ASP A 61 -6.908 -1.566 13.265 1.00 0.00 C ATOM 901 O ASP A 61 -7.694 -1.696 12.328 1.00 0.00 O ATOM 902 CB ASP A 61 -8.223 -0.554 15.138 1.00 0.00 C ATOM 903 CG ASP A 61 -8.222 0.435 16.288 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.619 0.124 17.336 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.825 1.519 16.139 1.00 0.00 O ATOM 0 H ASP A 61 -7.948 0.936 12.871 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.110 -0.334 14.819 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.139 -0.434 14.560 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.227 -1.569 15.535 1.00 0.00 H new ATOM 910 N GLU A 62 -5.928 -2.429 13.515 1.00 0.00 N ATOM 911 CA GLU A 62 -5.717 -3.606 12.680 1.00 0.00 C ATOM 912 C GLU A 62 -7.041 -4.302 12.376 1.00 0.00 C ATOM 913 O GLU A 62 -7.272 -4.755 11.256 1.00 0.00 O ATOM 914 CB GLU A 62 -4.761 -4.582 13.369 1.00 0.00 C ATOM 915 CG GLU A 62 -5.264 -5.079 14.714 1.00 0.00 C ATOM 916 CD GLU A 62 -5.197 -4.014 15.791 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.107 -3.436 15.987 1.00 0.00 O ATOM 918 OE2 GLU A 62 -6.234 -3.757 16.438 1.00 0.00 O ATOM 0 H GLU A 62 -5.269 -2.335 14.288 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.275 -3.278 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.594 -5.437 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.796 -4.095 13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.294 -5.420 14.609 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.673 -5.941 15.023 1.00 0.00 H new ATOM 925 N GLN A 63 -7.905 -4.383 13.383 1.00 0.00 N ATOM 926 CA GLN A 63 -9.204 -5.025 13.224 1.00 0.00 C ATOM 927 C GLN A 63 -9.984 -4.398 12.073 1.00 0.00 C ATOM 928 O GLN A 63 -10.549 -5.102 11.238 1.00 0.00 O ATOM 929 CB GLN A 63 -10.011 -4.920 14.519 1.00 0.00 C ATOM 930 CG GLN A 63 -9.399 -5.686 15.681 1.00 0.00 C ATOM 931 CD GLN A 63 -9.897 -7.115 15.764 1.00 0.00 C ATOM 932 OE1 GLN A 63 -10.732 -7.446 16.607 1.00 0.00 O ATOM 933 NE2 GLN A 63 -9.387 -7.972 14.888 1.00 0.00 N ATOM 0 H GLN A 63 -7.729 -4.012 14.317 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.035 -6.077 12.994 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.104 -3.870 14.796 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.020 -5.293 14.340 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.314 -5.689 15.578 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.630 -5.170 16.613 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.697 -7.655 14.207 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.685 -8.948 14.896 1.00 0.00 H new ATOM 942 N ASN A 64 -10.009 -3.070 12.037 1.00 0.00 N ATOM 943 CA ASN A 64 -10.721 -2.347 10.988 1.00 0.00 C ATOM 944 C ASN A 64 -10.063 -2.572 9.630 1.00 0.00 C ATOM 945 O ASN A 64 -8.916 -2.183 9.412 1.00 0.00 O ATOM 946 CB ASN A 64 -10.760 -0.851 11.307 1.00 0.00 C ATOM 947 CG ASN A 64 -11.204 -0.575 12.731 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.969 -1.343 13.315 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.724 0.527 13.296 1.00 0.00 N ATOM 0 H ASN A 64 -9.545 -2.472 12.721 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.741 -2.729 10.946 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.770 -0.422 11.148 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.438 -0.352 10.615 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.987 0.766 14.252 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.092 1.134 12.774 1.00 0.00 H new ATOM 956 N VAL A 65 -10.799 -3.202 8.720 1.00 0.00 N ATOM 957 CA VAL A 65 -10.288 -3.478 7.382 1.00 0.00 C ATOM 958 C VAL A 65 -10.851 -2.491 6.365 1.00 0.00 C ATOM 959 O VAL A 65 -10.106 -1.733 5.744 1.00 0.00 O ATOM 960 CB VAL A 65 -10.632 -4.911 6.934 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.108 -5.172 5.530 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.070 -5.925 7.919 1.00 0.00 C ATOM 0 H VAL A 65 -11.750 -3.531 8.884 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.204 -3.370 7.428 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.717 -5.018 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.360 -6.189 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.562 -4.466 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.025 -5.048 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.322 -6.932 7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.986 -5.820 7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.499 -5.750 8.906 1.00 0.00 H new ATOM 972 N GLU A 66 -12.170 -2.506 6.201 1.00 0.00 N ATOM 973 CA GLU A 66 -12.832 -1.611 5.259 1.00 0.00 C ATOM 974 C GLU A 66 -12.430 -0.161 5.511 1.00 0.00 C ATOM 975 O GLU A 66 -12.190 0.601 4.574 1.00 0.00 O ATOM 976 CB GLU A 66 -14.351 -1.757 5.365 1.00 0.00 C ATOM 977 CG GLU A 66 -15.113 -0.966 4.315 1.00 0.00 C ATOM 978 CD GLU A 66 -16.612 -0.982 4.546 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.262 -1.972 4.153 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.133 -0.003 5.119 1.00 0.00 O ATOM 0 H GLU A 66 -12.801 -3.127 6.708 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.517 -1.887 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.613 -2.811 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.671 -1.432 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.760 0.065 4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.897 -1.376 3.329 1.00 0.00 H new ATOM 987 N LYS A 67 -12.359 0.214 6.783 1.00 0.00 N ATOM 988 CA LYS A 67 -11.985 1.572 7.162 1.00 0.00 C ATOM 989 C LYS A 67 -10.590 1.915 6.650 1.00 0.00 C ATOM 990 O LYS A 67 -10.428 2.786 5.796 1.00 0.00 O ATOM 991 CB LYS A 67 -12.037 1.732 8.683 1.00 0.00 C ATOM 992 CG LYS A 67 -11.612 3.109 9.164 1.00 0.00 C ATOM 993 CD LYS A 67 -12.239 3.448 10.506 1.00 0.00 C ATOM 994 CE LYS A 67 -11.383 4.433 11.287 1.00 0.00 C ATOM 995 NZ LYS A 67 -12.126 5.024 12.435 1.00 0.00 N ATOM 0 H LYS A 67 -12.556 -0.404 7.570 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.698 2.259 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.052 1.534 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.393 0.981 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.526 3.147 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.901 3.858 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.231 3.871 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.370 2.536 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.490 3.927 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.048 5.229 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.509 5.690 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.965 5.529 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.424 4.267 13.082 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.585 1.224 7.178 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.203 1.455 6.774 1.00 0.00 C ATOM 1011 C ASN A 68 -8.111 1.715 5.273 1.00 0.00 C ATOM 1012 O ASN A 68 -7.350 2.572 4.827 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.332 0.255 7.149 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.785 0.356 8.560 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.654 0.795 8.769 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.587 -0.052 9.536 1.00 0.00 N ATOM 0 H ASN A 68 -9.702 0.500 7.887 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.840 2.337 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.918 -0.659 7.054 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.503 0.177 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.273 -0.009 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.517 -0.409 9.316 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.892 0.967 4.500 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.899 1.116 3.049 1.00 0.00 C ATOM 1025 C ASN A 69 -9.637 2.386 2.637 1.00 0.00 C ATOM 1026 O ASN A 69 -9.044 3.302 2.067 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.553 -0.102 2.394 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.642 -1.315 2.391 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.629 -1.343 1.693 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.001 -2.326 3.175 1.00 0.00 N ATOM 0 H ASN A 69 -9.528 0.252 4.854 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.865 1.191 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.475 -0.344 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.829 0.144 1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.428 -3.169 3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.850 -2.259 3.737 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.933 2.433 2.929 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.751 3.591 2.588 1.00 0.00 C ATOM 1039 C GLN A 70 -11.000 4.889 2.864 1.00 0.00 C ATOM 1040 O GLN A 70 -11.041 5.825 2.064 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.060 3.567 3.379 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.024 4.677 2.992 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.416 4.627 1.529 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.395 3.978 1.158 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.652 5.314 0.687 1.00 0.00 N ATOM 0 H GLN A 70 -11.439 1.683 3.401 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.977 3.544 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.548 2.604 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.834 3.647 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.921 4.604 3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.566 5.642 3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.850 5.838 1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.867 5.317 -0.310 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.314 4.939 4.001 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.552 6.123 4.383 1.00 0.00 C ATOM 1056 C LEU A 71 -8.404 6.370 3.410 1.00 0.00 C ATOM 1057 O LEU A 71 -8.407 7.350 2.666 1.00 0.00 O ATOM 1058 CB LEU A 71 -9.007 5.967 5.804 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.283 7.183 6.383 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.234 8.363 6.502 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.675 6.846 7.737 1.00 0.00 C ATOM 0 H LEU A 71 -10.270 4.174 4.674 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.222 6.982 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.837 5.715 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.321 5.120 5.817 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.477 7.460 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.701 9.219 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.622 8.619 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.062 8.098 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.164 7.723 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.464 6.543 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.961 6.030 7.622 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.423 5.473 3.420 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.271 5.590 2.536 1.00 0.00 C ATOM 1075 C ALA A 72 -6.703 5.928 1.113 1.00 0.00 C ATOM 1076 O ALA A 72 -6.258 6.922 0.538 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.459 4.304 2.552 1.00 0.00 C ATOM 0 H ALA A 72 -7.404 4.657 4.031 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.646 6.405 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.602 4.407 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.110 4.107 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.082 3.476 2.215 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.571 5.094 0.550 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.061 5.303 -0.807 1.00 0.00 C ATOM 1085 C PHE A 73 -8.466 6.759 -1.021 1.00 0.00 C ATOM 1086 O PHE A 73 -8.217 7.334 -2.081 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.252 4.385 -1.089 1.00 0.00 C ATOM 1088 CG PHE A 73 -8.855 2.977 -1.432 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -7.894 2.731 -2.399 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.443 1.901 -0.788 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.527 1.437 -2.718 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.080 0.604 -1.102 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.120 0.372 -2.067 1.00 0.00 C ATOM 0 H PHE A 73 -7.949 4.267 1.013 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.254 5.063 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.903 4.368 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.834 4.801 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.426 3.560 -2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.194 2.077 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.778 1.259 -3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.547 -0.226 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.833 -0.640 -2.313 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.091 7.348 -0.008 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.531 8.736 -0.083 1.00 0.00 C ATOM 1105 C ASP A 74 -8.364 9.689 0.160 1.00 0.00 C ATOM 1106 O ASP A 74 -7.976 10.449 -0.727 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.641 8.998 0.936 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.605 10.075 0.478 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.982 10.067 -0.712 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.982 10.925 1.311 1.00 0.00 O ATOM 0 H ASP A 74 -9.305 6.885 0.876 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.920 8.915 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.191 8.074 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.196 9.293 1.886 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.811 9.643 1.367 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.690 10.502 1.727 1.00 0.00 C ATOM 1117 C ILE A 75 -5.654 10.550 0.608 1.00 0.00 C ATOM 1118 O ILE A 75 -5.285 11.625 0.136 1.00 0.00 O ATOM 1119 CB ILE A 75 -6.008 10.025 3.022 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -7.008 10.025 4.181 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.813 10.908 3.348 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.560 11.396 4.503 1.00 0.00 C ATOM 0 H ILE A 75 -8.121 9.020 2.112 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.096 11.501 1.887 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.652 9.006 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.835 9.358 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.523 9.620 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.342 10.558 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.093 10.863 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.147 11.937 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.262 11.320 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.742 12.062 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.075 11.796 3.629 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.190 9.378 0.188 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.200 9.286 -0.878 1.00 0.00 C ATOM 1136 C ALA A 76 -4.525 10.250 -2.014 1.00 0.00 C ATOM 1137 O ALA A 76 -3.798 11.214 -2.249 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.118 7.859 -1.400 1.00 0.00 C ATOM 0 H ALA A 76 -5.484 8.479 0.570 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.231 9.566 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.375 7.805 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.830 7.191 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.090 7.558 -1.790 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.622 9.982 -2.716 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.041 10.825 -3.829 1.00 0.00 C ATOM 1146 C GLU A 77 -6.228 12.270 -3.375 1.00 0.00 C ATOM 1147 O GLU A 77 -5.891 13.209 -4.098 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.342 10.297 -4.436 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.943 11.219 -5.484 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.453 11.102 -5.568 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.144 11.736 -4.744 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.942 10.376 -6.458 1.00 0.00 O ATOM 0 H GLU A 77 -6.236 9.188 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.258 10.798 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.154 9.323 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.069 10.144 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.675 12.250 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.510 10.988 -6.457 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.769 12.442 -2.174 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.002 13.771 -1.622 1.00 0.00 C ATOM 1161 C LYS A 78 -5.718 14.596 -1.629 1.00 0.00 C ATOM 1162 O LYS A 78 -5.704 15.733 -2.098 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.544 13.665 -0.194 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.060 13.612 -0.123 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.666 15.005 -0.093 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.481 15.665 1.265 1.00 0.00 C ATOM 1167 NZ LYS A 78 -9.600 17.147 1.183 1.00 0.00 N ATOM 0 H LYS A 78 -7.055 11.676 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.740 14.273 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.135 12.771 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.191 14.519 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.446 13.065 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.364 13.063 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.203 15.621 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.729 14.946 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.226 15.279 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.503 15.401 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.468 17.559 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.873 17.519 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.543 17.400 0.824 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.643 14.013 -1.107 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.356 14.696 -1.055 1.00 0.00 C ATOM 1183 C GLU A 79 -2.408 14.152 -2.120 1.00 0.00 C ATOM 1184 O GLU A 79 -2.022 14.866 -3.047 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.726 14.539 0.331 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.605 15.050 1.460 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.414 16.531 1.723 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -4.116 17.343 1.084 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -2.563 16.879 2.568 1.00 0.00 O ATOM 0 H GLU A 79 -4.638 13.071 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.527 15.754 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.504 13.486 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.776 15.073 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.650 14.860 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.383 14.492 2.369 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.037 12.884 -1.982 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.134 12.243 -2.932 1.00 0.00 C ATOM 1198 C LEU A 80 -1.624 12.435 -4.363 1.00 0.00 C ATOM 1199 O LEU A 80 -0.839 12.717 -5.267 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.009 10.751 -2.619 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.749 10.391 -1.156 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.737 8.882 -0.971 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.564 10.998 -0.683 1.00 0.00 C ATOM 0 H LEU A 80 -2.347 12.279 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.154 12.711 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.927 10.256 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.200 10.340 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.557 10.804 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.551 8.645 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.701 8.471 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.050 8.446 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.733 10.732 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.382 10.615 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.518 12.083 -0.778 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.930 12.281 -4.562 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.503 12.443 -5.886 1.00 0.00 C ATOM 1217 C GLY A 81 -3.829 11.116 -6.543 1.00 0.00 C ATOM 1218 O GLY A 81 -4.617 11.061 -7.488 1.00 0.00 O ATOM 0 H GLY A 81 -3.601 12.047 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.411 13.042 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.805 12.995 -6.516 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.222 10.045 -6.043 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.453 8.713 -6.588 1.00 0.00 C ATOM 1224 C ILE A 82 -4.907 8.290 -6.409 1.00 0.00 C ATOM 1225 O ILE A 82 -5.326 7.922 -5.312 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.539 7.667 -5.923 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.071 8.069 -6.076 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.783 6.291 -6.525 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.122 7.207 -5.273 1.00 0.00 C ATOM 0 H ILE A 82 -2.567 10.074 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.221 8.762 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.775 7.624 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.796 8.015 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.953 9.108 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.130 5.563 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.823 6.005 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.571 6.319 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.901 7.549 -5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.371 7.280 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.211 6.170 -5.596 1.00 0.00 H new ATOM 1241 N SER A 83 -5.671 8.342 -7.496 1.00 0.00 N ATOM 1242 CA SER A 83 -7.079 7.966 -7.459 1.00 0.00 C ATOM 1243 C SER A 83 -7.237 6.485 -7.125 1.00 0.00 C ATOM 1244 O SER A 83 -6.588 5.618 -7.711 1.00 0.00 O ATOM 1245 CB SER A 83 -7.746 8.272 -8.801 1.00 0.00 C ATOM 1246 OG SER A 83 -8.974 7.577 -8.931 1.00 0.00 O ATOM 0 H SER A 83 -5.338 8.641 -8.413 1.00 0.00 H new ATOM 0 HA SER A 83 -7.566 8.551 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.921 9.344 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.078 7.991 -9.615 1.00 0.00 H new ATOM 0 HG SER A 83 -9.381 7.791 -9.797 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.120 6.188 -6.160 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.386 4.813 -5.726 1.00 0.00 C ATOM 1254 C PRO A 84 -9.123 4.003 -6.787 1.00 0.00 C ATOM 1255 O PRO A 84 -10.168 4.421 -7.286 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.265 4.996 -4.487 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.922 6.319 -4.680 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.929 7.171 -5.420 1.00 0.00 C ATOM 0 HA PRO A 84 -7.466 4.261 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.002 4.197 -4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.670 4.979 -3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.847 6.216 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.184 6.768 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.423 7.872 -6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.318 7.761 -4.737 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.572 2.842 -7.127 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.179 1.973 -8.127 1.00 0.00 C ATOM 1268 C ILE A 85 -10.552 1.489 -7.674 1.00 0.00 C ATOM 1269 O ILE A 85 -11.452 1.292 -8.490 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.289 0.752 -8.426 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -8.041 -0.051 -7.148 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.971 1.196 -9.044 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.406 -1.401 -7.396 1.00 0.00 C ATOM 0 H ILE A 85 -7.707 2.482 -6.724 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.287 2.565 -9.036 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.805 0.111 -9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.398 0.527 -6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.989 -0.194 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.353 0.322 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.167 1.729 -9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.448 1.855 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.260 -1.914 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.058 -1.998 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.442 -1.265 -7.887 1.00 0.00 H new ATOM 1285 N MET A 86 -10.706 1.301 -6.368 1.00 0.00 N ATOM 1286 CA MET A 86 -11.971 0.842 -5.805 1.00 0.00 C ATOM 1287 C MET A 86 -12.204 1.449 -4.426 1.00 0.00 C ATOM 1288 O MET A 86 -11.310 2.069 -3.849 1.00 0.00 O ATOM 1289 CB MET A 86 -11.989 -0.685 -5.714 1.00 0.00 C ATOM 1290 CG MET A 86 -10.983 -1.246 -4.722 1.00 0.00 C ATOM 1291 SD MET A 86 -10.936 -3.049 -4.725 1.00 0.00 S ATOM 1292 CE MET A 86 -9.326 -3.344 -5.452 1.00 0.00 C ATOM 0 H MET A 86 -9.971 1.459 -5.679 1.00 0.00 H new ATOM 0 HA MET A 86 -12.774 1.168 -6.466 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.989 -1.012 -5.429 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.786 -1.102 -6.700 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.991 -0.860 -4.959 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.231 -0.895 -3.721 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.065 -4.397 -5.344 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.351 -3.083 -6.510 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.580 -2.732 -4.945 1.00 0.00 H new ATOM 1302 N THR A 87 -13.412 1.267 -3.901 1.00 0.00 N ATOM 1303 CA THR A 87 -13.763 1.798 -2.589 1.00 0.00 C ATOM 1304 C THR A 87 -13.510 0.769 -1.494 1.00 0.00 C ATOM 1305 O THR A 87 -13.688 -0.430 -1.702 1.00 0.00 O ATOM 1306 CB THR A 87 -15.240 2.234 -2.537 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.087 1.141 -2.908 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.489 3.413 -3.465 1.00 0.00 C ATOM 0 H THR A 87 -14.164 0.756 -4.364 1.00 0.00 H new ATOM 0 HA THR A 87 -13.128 2.668 -2.420 1.00 0.00 H new ATOM 0 HB THR A 87 -15.470 2.540 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 87 -17.024 1.426 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.538 3.703 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.864 4.253 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.243 3.129 -4.488 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.094 1.246 -0.325 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.823 0.354 0.787 1.00 0.00 C ATOM 1318 C GLY A 88 -13.821 -0.784 0.873 1.00 0.00 C ATOM 1319 O GLY A 88 -13.444 -1.936 1.090 1.00 0.00 O ATOM 0 H GLY A 88 -12.940 2.235 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.818 -0.055 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.843 0.922 1.717 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.099 -0.462 0.705 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.156 -1.465 0.765 1.00 0.00 C ATOM 1325 C LYS A 89 -15.906 -2.579 -0.246 1.00 0.00 C ATOM 1326 O LYS A 89 -15.915 -3.759 0.104 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.517 -0.817 0.501 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.679 -1.568 1.128 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.033 -2.813 0.333 1.00 0.00 C ATOM 1330 CE LYS A 89 -19.860 -2.473 -0.898 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.008 -2.294 -2.106 1.00 0.00 N ATOM 0 H LYS A 89 -15.428 0.487 0.526 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.155 -1.899 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.505 0.203 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.676 -0.751 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.423 -1.848 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.548 -0.913 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.119 -3.324 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.589 -3.504 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.585 -3.267 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.426 -1.560 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.486 -2.706 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.847 -1.280 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.095 -2.771 -1.961 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.682 -2.196 -1.499 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.429 -3.165 -2.559 1.00 0.00 C ATOM 1347 C GLU A 90 -14.216 -4.030 -2.228 1.00 0.00 C ATOM 1348 O GLU A 90 -14.192 -5.223 -2.526 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.210 -2.449 -3.893 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.459 -1.772 -4.433 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.348 -2.722 -5.210 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -17.488 -3.888 -4.784 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -17.905 -2.300 -6.246 1.00 0.00 O ATOM 0 H GLU A 90 -15.671 -1.223 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.303 -3.812 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.426 -1.702 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.851 -3.170 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.025 -1.347 -3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.168 -0.943 -5.078 1.00 0.00 H new ATOM 1360 N MET A 91 -13.211 -3.417 -1.612 1.00 0.00 N ATOM 1361 CA MET A 91 -11.994 -4.130 -1.240 1.00 0.00 C ATOM 1362 C MET A 91 -12.277 -5.153 -0.145 1.00 0.00 C ATOM 1363 O MET A 91 -11.675 -6.226 -0.114 1.00 0.00 O ATOM 1364 CB MET A 91 -10.923 -3.144 -0.769 1.00 0.00 C ATOM 1365 CG MET A 91 -9.576 -3.794 -0.499 1.00 0.00 C ATOM 1366 SD MET A 91 -8.662 -4.152 -2.011 1.00 0.00 S ATOM 1367 CE MET A 91 -7.111 -3.322 -1.674 1.00 0.00 C ATOM 0 H MET A 91 -13.215 -2.429 -1.360 1.00 0.00 H new ATOM 0 HA MET A 91 -11.629 -4.658 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.798 -2.368 -1.524 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.268 -2.652 0.140 1.00 0.00 H new ATOM 0 HG2 MET A 91 -8.980 -3.137 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.728 -4.719 0.057 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.609 -3.093 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.304 -2.397 -1.131 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.475 -3.970 -1.072 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.198 -4.814 0.752 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.561 -5.705 1.847 1.00 0.00 C ATOM 1379 C ALA A 92 -14.493 -6.812 1.368 1.00 0.00 C ATOM 1380 O ALA A 92 -14.367 -7.965 1.781 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.211 -4.916 2.975 1.00 0.00 C ATOM 0 H ALA A 92 -13.706 -3.929 0.742 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.650 -6.171 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.477 -5.593 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.512 -4.165 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.110 -4.424 2.604 1.00 0.00 H new ATOM 1387 N SER A 93 -15.430 -6.455 0.495 1.00 0.00 N ATOM 1388 CA SER A 93 -16.386 -7.418 -0.037 1.00 0.00 C ATOM 1389 C SER A 93 -15.695 -8.420 -0.956 1.00 0.00 C ATOM 1390 O SER A 93 -15.811 -9.632 -0.773 1.00 0.00 O ATOM 1391 CB SER A 93 -17.501 -6.696 -0.797 1.00 0.00 C ATOM 1392 OG SER A 93 -16.975 -5.936 -1.871 1.00 0.00 O ATOM 0 H SER A 93 -15.547 -5.505 0.141 1.00 0.00 H new ATOM 0 HA SER A 93 -16.821 -7.961 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.216 -7.425 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.045 -6.041 -0.116 1.00 0.00 H new ATOM 0 HG SER A 93 -17.689 -5.398 -2.272 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.974 -7.904 -1.947 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.261 -8.752 -2.896 1.00 0.00 C ATOM 1400 C VAL A 94 -13.408 -9.789 -2.174 1.00 0.00 C ATOM 1401 O VAL A 94 -12.705 -9.471 -1.216 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.360 -7.919 -3.826 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.245 -7.254 -3.033 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.790 -8.790 -4.935 1.00 0.00 C ATOM 0 H VAL A 94 -14.868 -6.903 -2.114 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.016 -9.261 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.964 -7.136 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.618 -6.670 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.677 -6.597 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.640 -8.018 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.156 -8.185 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.199 -9.595 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.606 -9.215 -5.520 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.475 -11.032 -2.641 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.704 -12.097 -2.028 1.00 0.00 C ATOM 1416 C GLY A 95 -11.210 -11.906 -2.203 1.00 0.00 C ATOM 1417 O GLY A 95 -10.428 -12.233 -1.311 1.00 0.00 O ATOM 0 H GLY A 95 -14.050 -11.320 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.939 -12.146 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.999 -13.052 -2.464 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.814 -11.377 -3.356 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.404 -11.146 -3.646 1.00 0.00 C ATOM 1423 C GLU A 96 -9.239 -10.259 -4.877 1.00 0.00 C ATOM 1424 O GLU A 96 -9.864 -10.474 -5.916 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.680 -12.477 -3.862 1.00 0.00 C ATOM 1426 CG GLU A 96 -7.166 -12.348 -3.895 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.465 -13.692 -3.863 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.860 -14.585 -4.643 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.524 -13.852 -3.059 1.00 0.00 O ATOM 0 H GLU A 96 -11.450 -11.100 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.963 -10.635 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.960 -13.167 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.019 -12.918 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.871 -11.810 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.837 -11.751 -3.044 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.378 -9.238 -4.759 1.00 0.00 N ATOM 1437 CA PRO A 97 -8.110 -8.298 -5.851 1.00 0.00 C ATOM 1438 C PRO A 97 -7.338 -8.944 -6.996 1.00 0.00 C ATOM 1439 O PRO A 97 -6.985 -10.122 -6.932 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.265 -7.210 -5.183 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.615 -7.890 -4.028 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.598 -8.923 -3.550 1.00 0.00 C ATOM 0 HA PRO A 97 -9.029 -7.926 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.524 -6.805 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.883 -6.375 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.675 -8.354 -4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.381 -7.178 -3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.094 -9.805 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.232 -8.536 -2.753 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.080 -8.167 -8.042 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.349 -8.664 -9.202 1.00 0.00 C ATOM 1452 C ASP A 98 -4.895 -8.204 -9.164 1.00 0.00 C ATOM 1453 O ASP A 98 -4.609 -7.008 -9.210 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.014 -8.187 -10.494 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.579 -8.995 -11.701 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -6.763 -10.230 -11.686 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -6.057 -8.392 -12.661 1.00 0.00 O ATOM 0 H ASP A 98 -7.366 -7.190 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.369 -9.753 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.097 -8.252 -10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.773 -7.137 -10.657 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.979 -9.163 -9.081 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.553 -8.859 -9.037 1.00 0.00 C ATOM 1464 C LYS A 99 -2.233 -7.633 -9.886 1.00 0.00 C ATOM 1465 O LYS A 99 -1.611 -6.682 -9.412 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.739 -10.059 -9.527 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.241 -9.892 -9.344 1.00 0.00 C ATOM 1468 CD LYS A 99 0.183 -10.186 -7.915 1.00 0.00 C ATOM 1469 CE LYS A 99 0.570 -11.646 -7.737 1.00 0.00 C ATOM 1470 NZ LYS A 99 -0.613 -12.502 -7.443 1.00 0.00 N ATOM 0 H LYS A 99 -4.199 -10.158 -9.043 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.284 -8.644 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.065 -10.951 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.951 -10.225 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.286 -10.560 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.047 -8.875 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.026 -9.550 -7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.632 -9.939 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.062 -12.004 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.292 -11.734 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.305 -13.360 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.283 -11.975 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.078 -12.770 -8.334 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.662 -7.661 -11.143 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.422 -6.551 -12.059 1.00 0.00 C ATOM 1486 C LEU A 100 -2.879 -5.231 -11.446 1.00 0.00 C ATOM 1487 O LEU A 100 -2.070 -4.339 -11.193 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.148 -6.791 -13.384 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.470 -7.758 -14.355 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.480 -8.309 -15.350 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.324 -7.069 -15.081 1.00 0.00 C ATOM 0 H LEU A 100 -3.178 -8.440 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.350 -6.491 -12.246 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.147 -7.168 -13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.273 -5.832 -13.886 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.062 -8.591 -13.783 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.980 -8.995 -16.033 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.267 -8.840 -14.814 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.918 -7.487 -15.917 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.853 -7.772 -15.768 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.708 -6.217 -15.641 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.588 -6.724 -14.355 1.00 0.00 H new ATOM 1503 N SER A 101 -4.182 -5.115 -11.209 1.00 0.00 N ATOM 1504 CA SER A 101 -4.748 -3.904 -10.627 1.00 0.00 C ATOM 1505 C SER A 101 -3.937 -3.452 -9.416 1.00 0.00 C ATOM 1506 O SER A 101 -3.478 -2.312 -9.353 1.00 0.00 O ATOM 1507 CB SER A 101 -6.204 -4.140 -10.221 1.00 0.00 C ATOM 1508 OG SER A 101 -6.283 -4.895 -9.024 1.00 0.00 O ATOM 0 H SER A 101 -4.865 -5.845 -11.411 1.00 0.00 H new ATOM 0 HA SER A 101 -4.711 -3.117 -11.381 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.707 -3.183 -10.085 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.728 -4.664 -11.021 1.00 0.00 H new ATOM 0 HG SER A 101 -5.794 -5.737 -9.135 1.00 0.00 H new ATOM 1514 N MET A 102 -3.765 -4.356 -8.457 1.00 0.00 N ATOM 1515 CA MET A 102 -3.009 -4.052 -7.248 1.00 0.00 C ATOM 1516 C MET A 102 -1.640 -3.475 -7.594 1.00 0.00 C ATOM 1517 O MET A 102 -1.284 -2.383 -7.149 1.00 0.00 O ATOM 1518 CB MET A 102 -2.844 -5.310 -6.394 1.00 0.00 C ATOM 1519 CG MET A 102 -4.151 -5.829 -5.818 1.00 0.00 C ATOM 1520 SD MET A 102 -5.081 -4.555 -4.945 1.00 0.00 S ATOM 1521 CE MET A 102 -3.869 -4.016 -3.742 1.00 0.00 C ATOM 0 H MET A 102 -4.139 -5.304 -8.494 1.00 0.00 H new ATOM 0 HA MET A 102 -3.565 -3.306 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.387 -6.093 -6.999 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.155 -5.096 -5.576 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.764 -6.232 -6.624 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.941 -6.652 -5.135 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.377 -3.687 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.200 -4.843 -3.503 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.290 -3.189 -4.154 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.875 -4.215 -8.390 1.00 0.00 N ATOM 1532 CA VAL A 103 0.455 -3.776 -8.797 1.00 0.00 C ATOM 1533 C VAL A 103 0.399 -2.415 -9.482 1.00 0.00 C ATOM 1534 O VAL A 103 0.964 -1.439 -8.991 1.00 0.00 O ATOM 1535 CB VAL A 103 1.114 -4.792 -9.748 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.444 -4.259 -10.261 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.301 -6.131 -9.052 1.00 0.00 C ATOM 0 H VAL A 103 -1.153 -5.121 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 103 1.054 -3.698 -7.890 1.00 0.00 H new ATOM 0 HB VAL A 103 0.455 -4.942 -10.603 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.895 -4.991 -10.931 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.279 -3.326 -10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.112 -4.078 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.768 -6.836 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.938 -6.001 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.331 -6.517 -8.740 1.00 0.00 H new ATOM 1547 N MET A 104 -0.286 -2.360 -10.620 1.00 0.00 N ATOM 1548 CA MET A 104 -0.417 -1.118 -11.372 1.00 0.00 C ATOM 1549 C MET A 104 -0.747 0.048 -10.445 1.00 0.00 C ATOM 1550 O MET A 104 -0.072 1.077 -10.461 1.00 0.00 O ATOM 1551 CB MET A 104 -1.501 -1.257 -12.442 1.00 0.00 C ATOM 1552 CG MET A 104 -1.134 -2.222 -13.558 1.00 0.00 C ATOM 1553 SD MET A 104 -2.059 -1.915 -15.075 1.00 0.00 S ATOM 1554 CE MET A 104 -3.292 -3.212 -14.988 1.00 0.00 C ATOM 0 H MET A 104 -0.758 -3.160 -11.041 1.00 0.00 H new ATOM 0 HA MET A 104 0.538 -0.914 -11.857 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.424 -1.594 -11.970 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.703 -0.276 -12.873 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.067 -2.142 -13.765 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.319 -3.243 -13.225 1.00 0.00 H new ATOM 0 HE1 MET A 104 -4.185 -2.902 -15.531 1.00 0.00 H new ATOM 0 HE2 MET A 104 -2.894 -4.123 -15.434 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.549 -3.401 -13.946 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.789 -0.121 -9.639 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.211 0.918 -8.707 1.00 0.00 C ATOM 1566 C TYR A 105 -1.091 1.260 -7.730 1.00 0.00 C ATOM 1567 O TYR A 105 -0.593 2.387 -7.706 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.454 0.469 -7.938 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.850 1.411 -6.824 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.511 2.602 -7.096 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.564 1.109 -5.498 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.874 3.466 -6.081 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -3.925 1.966 -4.476 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.579 3.144 -4.773 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.940 4.001 -3.759 1.00 0.00 O ATOM 0 H TYR A 105 -2.357 -0.968 -9.612 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.452 1.811 -9.283 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.287 0.373 -8.635 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.274 -0.521 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.745 2.857 -8.119 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.051 0.189 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.386 4.389 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.697 1.715 -3.451 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.135 4.386 -3.354 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.697 0.279 -6.924 1.00 0.00 N ATOM 1586 CA LEU A 106 0.365 0.474 -5.944 1.00 0.00 C ATOM 1587 C LEU A 106 1.536 1.237 -6.554 1.00 0.00 C ATOM 1588 O LEU A 106 2.067 2.170 -5.950 1.00 0.00 O ATOM 1589 CB LEU A 106 0.845 -0.876 -5.408 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.087 -1.575 -4.418 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.310 -3.034 -4.250 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.073 -0.859 -3.076 1.00 0.00 C ATOM 0 H LEU A 106 -1.098 -0.659 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.038 1.063 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.009 -1.543 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.811 -0.730 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.101 -1.539 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.364 -3.515 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.248 -3.541 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.332 -3.092 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.742 -1.370 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.939 -0.863 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.406 0.170 -3.209 1.00 0.00 H new ATOM 1604 N THR A 107 1.934 0.837 -7.758 1.00 0.00 N ATOM 1605 CA THR A 107 3.041 1.483 -8.451 1.00 0.00 C ATOM 1606 C THR A 107 3.013 2.993 -8.244 1.00 0.00 C ATOM 1607 O THR A 107 4.029 3.601 -7.909 1.00 0.00 O ATOM 1608 CB THR A 107 3.010 1.183 -9.962 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.096 -0.229 -10.182 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.156 1.884 -10.676 1.00 0.00 C ATOM 0 H THR A 107 1.505 0.068 -8.273 1.00 0.00 H new ATOM 0 HA THR A 107 3.959 1.077 -8.026 1.00 0.00 H new ATOM 0 HB THR A 107 2.069 1.557 -10.366 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.287 -0.663 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.114 1.658 -11.741 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.071 2.961 -10.530 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.105 1.536 -10.269 1.00 0.00 H new ATOM 1618 N GLN A 108 1.843 3.592 -8.444 1.00 0.00 N ATOM 1619 CA GLN A 108 1.684 5.032 -8.279 1.00 0.00 C ATOM 1620 C GLN A 108 2.363 5.511 -7.000 1.00 0.00 C ATOM 1621 O GLN A 108 3.040 6.539 -6.992 1.00 0.00 O ATOM 1622 CB GLN A 108 0.201 5.403 -8.253 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.519 5.124 -9.563 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.963 5.585 -9.545 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.256 6.759 -9.775 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -2.876 4.661 -9.269 1.00 0.00 N ATOM 0 H GLN A 108 0.992 3.102 -8.720 1.00 0.00 H new ATOM 0 HA GLN A 108 2.159 5.524 -9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.290 4.849 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.104 6.462 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.008 5.623 -10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.486 4.055 -9.771 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.589 3.700 -9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.864 4.913 -9.241 1.00 0.00 H new ATOM 1635 N PHE A 109 2.177 4.759 -5.920 1.00 0.00 N ATOM 1636 CA PHE A 109 2.770 5.108 -4.634 1.00 0.00 C ATOM 1637 C PHE A 109 4.289 4.974 -4.682 1.00 0.00 C ATOM 1638 O PHE A 109 5.016 5.890 -4.297 1.00 0.00 O ATOM 1639 CB PHE A 109 2.202 4.216 -3.528 1.00 0.00 C ATOM 1640 CG PHE A 109 0.775 4.528 -3.179 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.261 4.095 -3.992 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.469 5.254 -2.040 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.575 4.382 -3.674 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -0.844 5.543 -1.716 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.867 5.106 -2.534 1.00 0.00 C ATOM 0 H PHE A 109 1.620 3.904 -5.910 1.00 0.00 H new ATOM 0 HA PHE A 109 2.521 6.147 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.272 3.174 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.818 4.322 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.039 3.527 -4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.265 5.599 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.373 4.040 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.069 6.110 -0.825 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.893 5.330 -2.283 1.00 0.00 H new ATOM 1655 N TYR A 110 4.761 3.826 -5.155 1.00 0.00 N ATOM 1656 CA TYR A 110 6.193 3.570 -5.250 1.00 0.00 C ATOM 1657 C TYR A 110 6.888 4.657 -6.064 1.00 0.00 C ATOM 1658 O TYR A 110 7.753 5.370 -5.556 1.00 0.00 O ATOM 1659 CB TYR A 110 6.446 2.202 -5.885 1.00 0.00 C ATOM 1660 CG TYR A 110 7.746 2.122 -6.654 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.949 1.886 -6.000 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.771 2.281 -8.034 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.139 1.814 -6.698 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.956 2.208 -8.740 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.137 1.975 -8.068 1.00 0.00 C ATOM 1666 OH TYR A 110 11.320 1.902 -8.767 1.00 0.00 O ATOM 0 H TYR A 110 4.173 3.058 -5.479 1.00 0.00 H new ATOM 0 HA TYR A 110 6.605 3.577 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.449 1.443 -5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.621 1.964 -6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.954 1.757 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.848 2.465 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.066 1.633 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.957 2.333 -9.813 1.00 0.00 H new ATOM 0 HH TYR A 110 11.145 2.036 -9.722 1.00 0.00 H new ATOM 1676 N GLU A 111 6.502 4.777 -7.331 1.00 0.00 N ATOM 1677 CA GLU A 111 7.088 5.777 -8.216 1.00 0.00 C ATOM 1678 C GLU A 111 7.098 7.152 -7.553 1.00 0.00 C ATOM 1679 O GLU A 111 7.953 7.987 -7.846 1.00 0.00 O ATOM 1680 CB GLU A 111 6.313 5.841 -9.534 1.00 0.00 C ATOM 1681 CG GLU A 111 6.845 4.896 -10.599 1.00 0.00 C ATOM 1682 CD GLU A 111 8.039 5.466 -11.340 1.00 0.00 C ATOM 1683 OE1 GLU A 111 8.109 6.703 -11.491 1.00 0.00 O ATOM 1684 OE2 GLU A 111 8.904 4.673 -11.769 1.00 0.00 O ATOM 0 H GLU A 111 5.787 4.195 -7.767 1.00 0.00 H new ATOM 0 HA GLU A 111 8.118 5.484 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.266 5.606 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.346 6.861 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.128 3.952 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.051 4.674 -11.312 1.00 0.00 H new ATOM 1691 N MET A 112 6.142 7.377 -6.658 1.00 0.00 N ATOM 1692 CA MET A 112 6.041 8.650 -5.952 1.00 0.00 C ATOM 1693 C MET A 112 7.214 8.834 -4.994 1.00 0.00 C ATOM 1694 O MET A 112 7.856 9.884 -4.979 1.00 0.00 O ATOM 1695 CB MET A 112 4.721 8.727 -5.182 1.00 0.00 C ATOM 1696 CG MET A 112 4.364 10.133 -4.729 1.00 0.00 C ATOM 1697 SD MET A 112 2.601 10.332 -4.408 1.00 0.00 S ATOM 1698 CE MET A 112 2.053 11.042 -5.958 1.00 0.00 C ATOM 0 H MET A 112 5.427 6.696 -6.404 1.00 0.00 H new ATOM 0 HA MET A 112 6.069 9.451 -6.691 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.919 8.342 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.780 8.077 -4.309 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.923 10.372 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.673 10.846 -5.493 1.00 0.00 H new ATOM 0 HE1 MET A 112 0.964 11.043 -5.993 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.419 12.065 -6.039 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.442 10.451 -6.787 1.00 0.00 H new ATOM 1708 N PHE A 113 7.487 7.808 -4.195 1.00 0.00 N ATOM 1709 CA PHE A 113 8.581 7.858 -3.233 1.00 0.00 C ATOM 1710 C PHE A 113 9.661 6.839 -3.584 1.00 0.00 C ATOM 1711 O PHE A 113 10.275 6.238 -2.702 1.00 0.00 O ATOM 1712 CB PHE A 113 8.058 7.597 -1.819 1.00 0.00 C ATOM 1713 CG PHE A 113 6.740 8.259 -1.536 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.653 9.637 -1.417 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.588 7.504 -1.390 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.441 10.248 -1.156 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.373 8.110 -1.130 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.299 9.484 -1.014 1.00 0.00 C ATOM 0 H PHE A 113 6.965 6.932 -4.195 1.00 0.00 H new ATOM 0 HA PHE A 113 9.020 8.855 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.955 6.522 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.795 7.949 -1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.542 10.240 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.640 6.429 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.387 11.323 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.482 7.509 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.351 9.960 -0.813 1.00 0.00 H new ATOM 1728 N LYS A 114 9.888 6.648 -4.879 1.00 0.00 N ATOM 1729 CA LYS A 114 10.893 5.703 -5.350 1.00 0.00 C ATOM 1730 C LYS A 114 12.288 6.319 -5.295 1.00 0.00 C ATOM 1731 O LYS A 114 13.253 5.661 -4.906 1.00 0.00 O ATOM 1732 CB LYS A 114 10.576 5.259 -6.779 1.00 0.00 C ATOM 1733 CG LYS A 114 10.745 6.361 -7.810 1.00 0.00 C ATOM 1734 CD LYS A 114 10.611 5.826 -9.226 1.00 0.00 C ATOM 1735 CE LYS A 114 11.954 5.382 -9.784 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.702 6.514 -10.398 1.00 0.00 N ATOM 0 H LYS A 114 9.388 7.136 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 114 10.873 4.833 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.224 4.423 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.551 4.891 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.998 7.136 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.722 6.828 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.917 4.986 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.186 6.597 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.552 4.943 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.797 4.603 -10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.612 6.170 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.143 6.917 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.874 7.246 -9.680 1.00 0.00 H new