USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 56 LYS NZ :NH3+ 140:sc= -0.123 (180deg=-0.948) USER MOD Set 1.2: A 61 CYS SG : rot 150:sc= -0.741 USER MOD Set 2.1: A 54 SER OG : rot -151:sc= -0.302 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.292 K(o=-0.0096,f=-2.6) USER MOD Set 3.1: A 45 SER OG : rot -97:sc= -0.749 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.593 K(o=-0.13,f=-2.9!) USER MOD Set 3.3: A 52 THR OG1 : rot 66:sc= 1.21 USER MOD Set 4.1: A 35 GLN : amide:sc= -1.13 K(o=-0.87,f=-3!) USER MOD Set 4.2: A 39 SER OG : rot 98:sc= 0.258 USER MOD Set 5.1: A 20 HIS : no HE2:sc= -4.42! C(o=-5!,f=-6.6!) USER MOD Set 5.2: A 109 CYS SG : rot 31:sc= -0.558 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 28:sc= 0.046 USER MOD Single : A 58 GLN : amide:sc= 0.908 K(o=0.91,f=-11!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 37:sc= 1.28 USER MOD Single : A 62 CYS SG : rot 49:sc= -0.391 USER MOD Single : A 65 MET CE :methyl -117:sc=-0.00997 (180deg=-1) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0162) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -4.47! C(o=-6.3!,f=-4.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 21:sc= 0.0516 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -3.22 K(o=-3.2,f=-4.6!) USER MOD Single : A 94 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.4) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -8.253 2.015 -16.080 1.00 0.00 N ATOM 156 CA VAL A 15 -7.529 2.286 -14.844 1.00 0.00 C ATOM 157 C VAL A 15 -7.214 3.772 -14.708 1.00 0.00 C ATOM 158 O VAL A 15 -6.813 4.437 -15.664 1.00 0.00 O ATOM 159 CB VAL A 15 -6.217 1.484 -14.773 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.307 1.845 -15.937 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.517 1.726 -13.444 1.00 0.00 C ATOM 0 HA VAL A 15 -8.177 1.978 -14.023 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.455 0.423 -14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.384 1.268 -15.870 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.810 1.617 -16.877 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.073 2.909 -15.900 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.591 1.152 -13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.290 2.787 -13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.168 1.413 -12.628 1.00 0.00 H new ATOM 171 N PRO A 16 -7.395 4.307 -13.492 1.00 0.00 N ATOM 172 CA PRO A 16 -7.134 5.720 -13.201 1.00 0.00 C ATOM 173 C PRO A 16 -5.647 6.052 -13.232 1.00 0.00 C ATOM 174 O PRO A 16 -4.817 5.196 -13.536 1.00 0.00 O ATOM 175 CB PRO A 16 -7.693 5.901 -11.787 1.00 0.00 C ATOM 176 CG PRO A 16 -7.633 4.542 -11.180 1.00 0.00 C ATOM 177 CD PRO A 16 -7.870 3.574 -12.306 1.00 0.00 C ATOM 0 HA PRO A 16 -7.588 6.379 -13.941 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.101 6.616 -11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.715 6.279 -11.811 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.664 4.366 -10.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.388 4.428 -10.402 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.319 2.645 -12.160 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.924 3.309 -12.393 1.00 0.00 H new ATOM 185 N GLU A 17 -5.317 7.300 -12.915 1.00 0.00 N ATOM 186 CA GLU A 17 -3.928 7.745 -12.908 1.00 0.00 C ATOM 187 C GLU A 17 -3.325 7.622 -11.512 1.00 0.00 C ATOM 188 O GLU A 17 -2.114 7.457 -11.360 1.00 0.00 O ATOM 189 CB GLU A 17 -3.830 9.193 -13.391 1.00 0.00 C ATOM 190 CG GLU A 17 -4.565 10.183 -12.503 1.00 0.00 C ATOM 191 CD GLU A 17 -5.087 11.380 -13.272 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.969 11.193 -14.136 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.614 12.506 -13.008 1.00 0.00 O ATOM 0 H GLU A 17 -5.992 8.021 -12.660 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.365 7.104 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.779 9.478 -13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.231 9.258 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.398 9.678 -12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.894 10.526 -11.715 1.00 0.00 H new ATOM 200 N TRP A 18 -4.177 7.703 -10.496 1.00 0.00 N ATOM 201 CA TRP A 18 -3.729 7.601 -9.112 1.00 0.00 C ATOM 202 C TRP A 18 -3.324 6.170 -8.775 1.00 0.00 C ATOM 203 O TRP A 18 -2.837 5.894 -7.678 1.00 0.00 O ATOM 204 CB TRP A 18 -4.832 8.069 -8.162 1.00 0.00 C ATOM 205 CG TRP A 18 -6.156 7.417 -8.421 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.174 7.905 -9.188 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.606 6.157 -7.910 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.230 7.025 -9.186 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.905 5.944 -8.409 1.00 0.00 C ATOM 210 CE3 TRP A 18 -6.035 5.186 -7.082 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.642 4.802 -8.106 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.767 4.054 -6.780 1.00 0.00 C ATOM 213 CH2 TRP A 18 -8.059 3.869 -7.292 1.00 0.00 C ATOM 0 H TRP A 18 -5.182 7.839 -10.605 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.857 8.244 -8.990 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.529 7.863 -7.135 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.944 9.150 -8.251 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.153 8.845 -9.719 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.112 7.155 -9.682 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.039 5.319 -6.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.638 4.658 -8.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.337 3.299 -6.139 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.605 2.972 -7.039 1.00 0.00 H new ATOM 224 N PHE A 19 -3.528 5.263 -9.724 1.00 0.00 N ATOM 225 CA PHE A 19 -3.185 3.859 -9.527 1.00 0.00 C ATOM 226 C PHE A 19 -1.858 3.523 -10.202 1.00 0.00 C ATOM 227 O PHE A 19 -1.822 3.156 -11.377 1.00 0.00 O ATOM 228 CB PHE A 19 -4.293 2.959 -10.077 1.00 0.00 C ATOM 229 CG PHE A 19 -4.073 1.499 -9.797 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.324 0.977 -8.539 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.615 0.650 -10.792 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.123 -0.365 -8.278 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.413 -0.693 -10.538 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.667 -1.202 -9.280 1.00 0.00 C ATOM 0 H PHE A 19 -3.929 5.475 -10.638 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.082 3.683 -8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.246 3.264 -9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.369 3.107 -11.154 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.681 1.626 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.414 1.043 -11.778 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.322 -0.760 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.057 -1.344 -11.323 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.510 -2.251 -9.079 1.00 0.00 H new ATOM 244 N HIS A 20 -0.768 3.654 -9.451 1.00 0.00 N ATOM 245 CA HIS A 20 0.561 3.365 -9.976 1.00 0.00 C ATOM 246 C HIS A 20 0.888 1.881 -9.840 1.00 0.00 C ATOM 247 O HIS A 20 2.036 1.508 -9.597 1.00 0.00 O ATOM 248 CB HIS A 20 1.613 4.201 -9.248 1.00 0.00 C ATOM 249 CG HIS A 20 1.421 5.678 -9.408 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.290 6.477 -10.119 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.450 6.499 -8.943 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.863 7.727 -10.084 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.748 7.767 -9.377 1.00 0.00 N ATOM 0 H HIS A 20 -0.780 3.958 -8.478 1.00 0.00 H new ATOM 0 HA HIS A 20 0.571 3.625 -11.034 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.591 3.953 -8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.601 3.929 -9.619 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.131 6.154 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.400 6.210 -8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.344 8.572 -10.554 1.00 0.00 H new ATOM 261 N GLY A 21 -0.128 1.039 -9.995 1.00 0.00 N ATOM 262 CA GLY A 21 0.072 -0.395 -9.884 1.00 0.00 C ATOM 263 C GLY A 21 0.682 -0.793 -8.556 1.00 0.00 C ATOM 264 O GLY A 21 0.185 -0.412 -7.497 1.00 0.00 O ATOM 0 H GLY A 21 -1.087 1.323 -10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.884 -0.903 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.719 -0.732 -10.693 1.00 0.00 H new ATOM 268 N ALA A 22 1.764 -1.565 -8.611 1.00 0.00 N ATOM 269 CA ALA A 22 2.444 -2.014 -7.403 1.00 0.00 C ATOM 270 C ALA A 22 3.808 -1.349 -7.260 1.00 0.00 C ATOM 271 O ALA A 22 4.820 -1.883 -7.715 1.00 0.00 O ATOM 272 CB ALA A 22 2.591 -3.529 -7.413 1.00 0.00 C ATOM 0 H ALA A 22 2.187 -1.892 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 22 1.837 -1.724 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.101 -3.851 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.604 -3.990 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.173 -3.832 -8.283 1.00 0.00 H new ATOM 278 N ILE A 23 3.829 -0.182 -6.626 1.00 0.00 N ATOM 279 CA ILE A 23 5.069 0.556 -6.423 1.00 0.00 C ATOM 280 C ILE A 23 5.513 0.496 -4.965 1.00 0.00 C ATOM 281 O ILE A 23 4.736 0.128 -4.084 1.00 0.00 O ATOM 282 CB ILE A 23 4.923 2.029 -6.843 1.00 0.00 C ATOM 283 CG1 ILE A 23 3.850 2.719 -6.000 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.586 2.127 -8.324 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.005 4.223 -5.935 1.00 0.00 C ATOM 0 H ILE A 23 3.000 0.273 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 23 5.824 0.081 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 23 5.873 2.536 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.869 2.481 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.879 2.315 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.486 3.175 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.383 1.668 -8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.648 1.608 -8.519 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.209 4.645 -5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.972 4.471 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.945 4.639 -6.941 1.00 0.00 H new ATOM 297 N SER A 24 6.766 0.862 -4.718 1.00 0.00 N ATOM 298 CA SER A 24 7.314 0.848 -3.367 1.00 0.00 C ATOM 299 C SER A 24 7.421 2.265 -2.810 1.00 0.00 C ATOM 300 O SER A 24 7.696 3.213 -3.546 1.00 0.00 O ATOM 301 CB SER A 24 8.689 0.179 -3.358 1.00 0.00 C ATOM 302 OG SER A 24 8.571 -1.232 -3.437 1.00 0.00 O ATOM 0 H SER A 24 7.421 1.172 -5.436 1.00 0.00 H new ATOM 0 HA SER A 24 6.637 0.277 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.280 0.545 -4.197 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.224 0.452 -2.448 1.00 0.00 H new ATOM 0 HG SER A 24 9.464 -1.636 -3.431 1.00 0.00 H new ATOM 308 N ARG A 25 7.204 2.400 -1.506 1.00 0.00 N ATOM 309 CA ARG A 25 7.275 3.700 -0.850 1.00 0.00 C ATOM 310 C ARG A 25 8.344 4.576 -1.495 1.00 0.00 C ATOM 311 O ARG A 25 8.129 5.767 -1.723 1.00 0.00 O ATOM 312 CB ARG A 25 7.574 3.526 0.641 1.00 0.00 C ATOM 313 CG ARG A 25 9.024 3.179 0.935 1.00 0.00 C ATOM 314 CD ARG A 25 9.322 3.246 2.425 1.00 0.00 C ATOM 315 NE ARG A 25 10.717 2.928 2.719 1.00 0.00 N ATOM 316 CZ ARG A 25 11.736 3.711 2.384 1.00 0.00 C ATOM 317 NH1 ARG A 25 11.516 4.854 1.748 1.00 0.00 N ATOM 318 NH2 ARG A 25 12.977 3.353 2.687 1.00 0.00 N ATOM 0 H ARG A 25 6.978 1.625 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 25 6.309 4.191 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.316 4.447 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.933 2.741 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.242 2.178 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.679 3.867 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.092 4.245 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.672 2.551 2.956 1.00 0.00 H new ATOM 0 HE ARG A 25 10.920 2.056 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.563 5.133 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.300 5.454 1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.149 2.476 3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.759 3.955 2.429 1.00 0.00 H new ATOM 332 N GLU A 26 9.496 3.980 -1.786 1.00 0.00 N ATOM 333 CA GLU A 26 10.598 4.707 -2.404 1.00 0.00 C ATOM 334 C GLU A 26 10.154 5.363 -3.709 1.00 0.00 C ATOM 335 O GLU A 26 10.378 6.553 -3.926 1.00 0.00 O ATOM 336 CB GLU A 26 11.775 3.767 -2.668 1.00 0.00 C ATOM 337 CG GLU A 26 11.440 2.621 -3.608 1.00 0.00 C ATOM 338 CD GLU A 26 12.549 1.590 -3.690 1.00 0.00 C ATOM 339 OE1 GLU A 26 12.961 1.077 -2.629 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.004 1.296 -4.816 1.00 0.00 O ATOM 0 H GLU A 26 9.690 2.995 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 26 10.915 5.489 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.600 4.341 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.122 3.358 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.523 2.137 -3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.244 3.018 -4.604 1.00 0.00 H new ATOM 347 N ASP A 27 9.523 4.576 -4.574 1.00 0.00 N ATOM 348 CA ASP A 27 9.047 5.078 -5.858 1.00 0.00 C ATOM 349 C ASP A 27 7.946 6.114 -5.660 1.00 0.00 C ATOM 350 O ASP A 27 7.962 7.178 -6.279 1.00 0.00 O ATOM 351 CB ASP A 27 8.532 3.926 -6.721 1.00 0.00 C ATOM 352 CG ASP A 27 9.623 3.305 -7.570 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.443 2.541 -7.017 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.657 3.581 -8.786 1.00 0.00 O ATOM 0 H ASP A 27 9.329 3.588 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 27 9.884 5.556 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.096 3.161 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.734 4.290 -7.369 1.00 0.00 H new ATOM 359 N ALA A 28 6.988 5.796 -4.795 1.00 0.00 N ATOM 360 CA ALA A 28 5.879 6.700 -4.516 1.00 0.00 C ATOM 361 C ALA A 28 6.383 8.097 -4.173 1.00 0.00 C ATOM 362 O ALA A 28 5.931 9.088 -4.745 1.00 0.00 O ATOM 363 CB ALA A 28 5.025 6.152 -3.382 1.00 0.00 C ATOM 0 H ALA A 28 6.958 4.919 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 28 5.267 6.774 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.200 6.837 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.627 5.177 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.635 6.049 -2.484 1.00 0.00 H new ATOM 369 N GLU A 29 7.321 8.170 -3.233 1.00 0.00 N ATOM 370 CA GLU A 29 7.884 9.447 -2.813 1.00 0.00 C ATOM 371 C GLU A 29 8.527 10.172 -3.991 1.00 0.00 C ATOM 372 O GLU A 29 8.424 11.391 -4.115 1.00 0.00 O ATOM 373 CB GLU A 29 8.919 9.234 -1.705 1.00 0.00 C ATOM 374 CG GLU A 29 8.303 8.969 -0.341 1.00 0.00 C ATOM 375 CD GLU A 29 9.241 9.315 0.800 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.240 8.590 0.987 1.00 0.00 O ATOM 377 OE2 GLU A 29 8.975 10.311 1.505 1.00 0.00 O ATOM 0 H GLU A 29 7.706 7.359 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 29 7.072 10.064 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.560 8.395 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.558 10.115 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.386 9.550 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.024 7.918 -0.271 1.00 0.00 H new ATOM 384 N ASN A 30 9.193 9.411 -4.854 1.00 0.00 N ATOM 385 CA ASN A 30 9.856 9.980 -6.022 1.00 0.00 C ATOM 386 C ASN A 30 8.832 10.445 -7.054 1.00 0.00 C ATOM 387 O ASN A 30 9.103 11.344 -7.852 1.00 0.00 O ATOM 388 CB ASN A 30 10.799 8.953 -6.651 1.00 0.00 C ATOM 389 CG ASN A 30 12.195 9.012 -6.060 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.937 9.967 -6.291 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.558 7.991 -5.295 1.00 0.00 N ATOM 0 H ASN A 30 9.288 8.399 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 30 10.436 10.843 -5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.389 7.953 -6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.855 9.125 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.485 7.976 -4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.910 7.221 -5.131 1.00 0.00 H new ATOM 398 N LEU A 31 7.656 9.828 -7.033 1.00 0.00 N ATOM 399 CA LEU A 31 6.591 10.179 -7.966 1.00 0.00 C ATOM 400 C LEU A 31 5.924 11.490 -7.563 1.00 0.00 C ATOM 401 O LEU A 31 5.489 12.265 -8.415 1.00 0.00 O ATOM 402 CB LEU A 31 5.549 9.060 -8.025 1.00 0.00 C ATOM 403 CG LEU A 31 5.803 7.961 -9.056 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.204 6.642 -8.590 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.234 8.358 -10.411 1.00 0.00 C ATOM 0 H LEU A 31 7.416 9.082 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 31 7.034 10.307 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.485 8.598 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.577 9.507 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 31 6.880 7.830 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.395 5.872 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.659 6.350 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.129 6.758 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.424 7.563 -11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.159 8.517 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.710 9.278 -10.750 1.00 0.00 H new ATOM 417 N LEU A 32 5.848 11.732 -6.259 1.00 0.00 N ATOM 418 CA LEU A 32 5.236 12.952 -5.742 1.00 0.00 C ATOM 419 C LEU A 32 6.267 14.069 -5.618 1.00 0.00 C ATOM 420 O LEU A 32 5.931 15.249 -5.707 1.00 0.00 O ATOM 421 CB LEU A 32 4.591 12.685 -4.381 1.00 0.00 C ATOM 422 CG LEU A 32 3.559 11.557 -4.338 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.422 11.013 -2.924 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.214 12.045 -4.856 1.00 0.00 C ATOM 0 H LEU A 32 6.202 11.100 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 32 4.467 13.269 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.381 12.456 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.111 13.603 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 32 3.904 10.750 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.684 10.211 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.384 10.625 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.100 11.812 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.492 11.229 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.863 12.870 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.323 12.386 -5.886 1.00 0.00 H new ATOM 436 N GLU A 33 7.524 13.687 -5.414 1.00 0.00 N ATOM 437 CA GLU A 33 8.604 14.657 -5.280 1.00 0.00 C ATOM 438 C GLU A 33 8.560 15.681 -6.411 1.00 0.00 C ATOM 439 O GLU A 33 8.711 16.881 -6.183 1.00 0.00 O ATOM 440 CB GLU A 33 9.960 13.946 -5.273 1.00 0.00 C ATOM 441 CG GLU A 33 10.577 13.799 -6.654 1.00 0.00 C ATOM 442 CD GLU A 33 11.837 12.955 -6.643 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.100 12.295 -5.615 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.558 12.953 -7.662 1.00 0.00 O ATOM 0 H GLU A 33 7.819 12.714 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 33 8.471 15.181 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.648 14.500 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.840 12.957 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.848 13.348 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.809 14.787 -7.051 1.00 0.00 H new ATOM 451 N SER A 34 8.354 15.197 -7.632 1.00 0.00 N ATOM 452 CA SER A 34 8.294 16.068 -8.799 1.00 0.00 C ATOM 453 C SER A 34 6.862 16.521 -9.067 1.00 0.00 C ATOM 454 O SER A 34 6.512 16.871 -10.193 1.00 0.00 O ATOM 455 CB SER A 34 8.852 15.347 -10.029 1.00 0.00 C ATOM 456 OG SER A 34 9.382 16.270 -10.964 1.00 0.00 O ATOM 0 H SER A 34 8.226 14.206 -7.838 1.00 0.00 H new ATOM 0 HA SER A 34 8.903 16.949 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.630 14.648 -9.723 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.063 14.760 -10.500 1.00 0.00 H new ATOM 0 HG SER A 34 9.733 15.785 -11.740 1.00 0.00 H new ATOM 462 N GLN A 35 6.040 16.510 -8.023 1.00 0.00 N ATOM 463 CA GLN A 35 4.646 16.920 -8.144 1.00 0.00 C ATOM 464 C GLN A 35 4.320 18.039 -7.162 1.00 0.00 C ATOM 465 O GLN A 35 4.972 18.204 -6.130 1.00 0.00 O ATOM 466 CB GLN A 35 3.720 15.727 -7.903 1.00 0.00 C ATOM 467 CG GLN A 35 3.710 14.722 -9.044 1.00 0.00 C ATOM 468 CD GLN A 35 3.284 15.341 -10.362 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.303 16.083 -10.424 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.021 15.040 -11.423 1.00 0.00 N ATOM 0 H GLN A 35 6.315 16.222 -7.084 1.00 0.00 H new ATOM 0 HA GLN A 35 4.490 17.294 -9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.025 15.221 -6.987 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.705 16.092 -7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.706 14.292 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.035 13.903 -8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.826 14.421 -11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.783 15.428 -12.336 1.00 0.00 H new ATOM 479 N PRO A 36 3.286 18.829 -7.487 1.00 0.00 N ATOM 480 CA PRO A 36 2.848 19.948 -6.646 1.00 0.00 C ATOM 481 C PRO A 36 2.207 19.478 -5.345 1.00 0.00 C ATOM 482 O PRO A 36 1.591 18.413 -5.293 1.00 0.00 O ATOM 483 CB PRO A 36 1.819 20.669 -7.520 1.00 0.00 C ATOM 484 CG PRO A 36 1.307 19.619 -8.445 1.00 0.00 C ATOM 485 CD PRO A 36 2.463 18.693 -8.701 1.00 0.00 C ATOM 0 HA PRO A 36 3.683 20.579 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.015 21.093 -6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.274 21.493 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.469 19.083 -8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.947 20.060 -9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.130 17.666 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.016 18.979 -9.595 1.00 0.00 H new ATOM 493 N LEU A 37 2.355 20.278 -4.295 1.00 0.00 N ATOM 494 CA LEU A 37 1.788 19.945 -2.992 1.00 0.00 C ATOM 495 C LEU A 37 0.319 19.555 -3.121 1.00 0.00 C ATOM 496 O LEU A 37 -0.480 20.291 -3.699 1.00 0.00 O ATOM 497 CB LEU A 37 1.933 21.127 -2.034 1.00 0.00 C ATOM 498 CG LEU A 37 2.086 20.777 -0.553 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.884 19.982 -0.065 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.372 19.999 -0.320 1.00 0.00 C ATOM 0 H LEU A 37 2.863 21.162 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 37 2.336 19.092 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.800 21.712 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.059 21.769 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 37 2.137 21.705 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.011 19.742 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.022 20.574 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.801 19.059 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.465 19.758 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.350 19.077 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.224 20.603 -0.631 1.00 0.00 H new ATOM 512 N GLY A 38 -0.031 18.394 -2.576 1.00 0.00 N ATOM 513 CA GLY A 38 -1.403 17.929 -2.639 1.00 0.00 C ATOM 514 C GLY A 38 -1.558 16.696 -3.506 1.00 0.00 C ATOM 515 O GLY A 38 -2.517 15.937 -3.355 1.00 0.00 O ATOM 0 H GLY A 38 0.612 17.767 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.755 17.707 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.036 18.726 -3.030 1.00 0.00 H new ATOM 519 N SER A 39 -0.614 16.494 -4.420 1.00 0.00 N ATOM 520 CA SER A 39 -0.653 15.347 -5.319 1.00 0.00 C ATOM 521 C SER A 39 -0.695 14.041 -4.533 1.00 0.00 C ATOM 522 O SER A 39 0.216 13.737 -3.763 1.00 0.00 O ATOM 523 CB SER A 39 0.564 15.359 -6.248 1.00 0.00 C ATOM 524 OG SER A 39 0.730 16.627 -6.856 1.00 0.00 O ATOM 0 H SER A 39 0.187 17.110 -4.557 1.00 0.00 H new ATOM 0 HA SER A 39 -1.560 15.418 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.460 15.104 -5.682 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.445 14.596 -7.018 1.00 0.00 H new ATOM 0 HG SER A 39 1.403 17.141 -6.362 1.00 0.00 H new ATOM 530 N PHE A 40 -1.760 13.271 -4.732 1.00 0.00 N ATOM 531 CA PHE A 40 -1.924 11.998 -4.041 1.00 0.00 C ATOM 532 C PHE A 40 -1.796 10.830 -5.015 1.00 0.00 C ATOM 533 O PHE A 40 -1.873 11.011 -6.231 1.00 0.00 O ATOM 534 CB PHE A 40 -3.281 11.945 -3.338 1.00 0.00 C ATOM 535 CG PHE A 40 -4.443 11.843 -4.286 1.00 0.00 C ATOM 536 CD1 PHE A 40 -5.034 12.984 -4.802 1.00 0.00 C ATOM 537 CD2 PHE A 40 -4.943 10.605 -4.658 1.00 0.00 C ATOM 538 CE1 PHE A 40 -6.103 12.893 -5.674 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.012 10.508 -5.529 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.592 11.653 -6.039 1.00 0.00 C ATOM 0 H PHE A 40 -2.523 13.507 -5.367 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.134 11.914 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.298 11.090 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.399 12.839 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.656 13.956 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.493 9.706 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.556 13.790 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.393 9.538 -5.810 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.426 11.579 -6.721 1.00 0.00 H new ATOM 550 N LEU A 41 -1.600 9.634 -4.472 1.00 0.00 N ATOM 551 CA LEU A 41 -1.462 8.436 -5.292 1.00 0.00 C ATOM 552 C LEU A 41 -1.554 7.176 -4.436 1.00 0.00 C ATOM 553 O LEU A 41 -1.166 7.179 -3.267 1.00 0.00 O ATOM 554 CB LEU A 41 -0.130 8.459 -6.044 1.00 0.00 C ATOM 555 CG LEU A 41 1.102 8.038 -5.242 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.199 8.841 -3.953 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.058 6.547 -4.941 1.00 0.00 C ATOM 0 H LEU A 41 -1.533 9.468 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.279 8.424 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.215 7.805 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.034 9.469 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 41 1.990 8.242 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.082 8.528 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.277 9.902 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.308 8.669 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.942 6.265 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.164 6.319 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.036 5.987 -5.876 1.00 0.00 H new ATOM 569 N ILE A 42 -2.066 6.101 -5.026 1.00 0.00 N ATOM 570 CA ILE A 42 -2.204 4.836 -4.318 1.00 0.00 C ATOM 571 C ILE A 42 -1.369 3.744 -4.976 1.00 0.00 C ATOM 572 O ILE A 42 -1.276 3.671 -6.202 1.00 0.00 O ATOM 573 CB ILE A 42 -3.674 4.378 -4.264 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.531 5.424 -3.547 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.784 3.029 -3.569 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.992 5.047 -3.454 1.00 0.00 C ATOM 0 H ILE A 42 -2.392 6.082 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.846 5.003 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.043 4.270 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.139 5.576 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.442 6.376 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.829 2.719 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.202 2.289 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.401 3.111 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.538 5.834 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.400 4.923 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.092 4.111 -2.904 1.00 0.00 H new ATOM 588 N ARG A 43 -0.761 2.894 -4.154 1.00 0.00 N ATOM 589 CA ARG A 43 0.067 1.805 -4.657 1.00 0.00 C ATOM 590 C ARG A 43 -0.322 0.480 -4.005 1.00 0.00 C ATOM 591 O ARG A 43 -0.387 0.374 -2.780 1.00 0.00 O ATOM 592 CB ARG A 43 1.546 2.098 -4.396 1.00 0.00 C ATOM 593 CG ARG A 43 1.911 2.116 -2.921 1.00 0.00 C ATOM 594 CD ARG A 43 3.126 2.993 -2.659 1.00 0.00 C ATOM 595 NE ARG A 43 3.274 3.316 -1.243 1.00 0.00 N ATOM 596 CZ ARG A 43 3.792 2.482 -0.349 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.210 1.281 -0.723 1.00 0.00 N ATOM 598 NH2 ARG A 43 3.893 2.849 0.923 1.00 0.00 N ATOM 0 H ARG A 43 -0.827 2.939 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.097 1.724 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.152 1.347 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.800 3.062 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.065 2.482 -2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.114 1.100 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.023 2.483 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.038 3.915 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 43 2.962 4.233 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.134 0.996 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.608 0.642 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.572 3.772 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.291 2.207 1.609 1.00 0.00 H new ATOM 612 N VAL A 44 -0.582 -0.527 -4.834 1.00 0.00 N ATOM 613 CA VAL A 44 -0.964 -1.844 -4.339 1.00 0.00 C ATOM 614 C VAL A 44 -0.127 -2.241 -3.128 1.00 0.00 C ATOM 615 O VAL A 44 1.096 -2.100 -3.134 1.00 0.00 O ATOM 616 CB VAL A 44 -0.812 -2.920 -5.431 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.000 -4.309 -4.842 1.00 0.00 C ATOM 618 CG2 VAL A 44 -1.798 -2.674 -6.563 1.00 0.00 C ATOM 0 H VAL A 44 -0.535 -0.455 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.012 -1.780 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 44 0.197 -2.858 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.889 -5.056 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.250 -4.481 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.996 -4.387 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.676 -3.444 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.815 -2.707 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.610 -1.695 -7.003 1.00 0.00 H new ATOM 628 N SER A 45 -0.794 -2.740 -2.092 1.00 0.00 N ATOM 629 CA SER A 45 -0.111 -3.156 -0.872 1.00 0.00 C ATOM 630 C SER A 45 0.502 -4.543 -1.038 1.00 0.00 C ATOM 631 O SER A 45 0.127 -5.297 -1.937 1.00 0.00 O ATOM 632 CB SER A 45 -1.085 -3.154 0.308 1.00 0.00 C ATOM 633 OG SER A 45 -1.101 -1.893 0.953 1.00 0.00 O ATOM 0 H SER A 45 -1.806 -2.866 -2.073 1.00 0.00 H new ATOM 0 HA SER A 45 0.691 -2.445 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.087 -3.399 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.799 -3.927 1.021 1.00 0.00 H new ATOM 0 HG SER A 45 -0.508 -1.917 1.733 1.00 0.00 H new ATOM 639 N HIS A 46 1.448 -4.873 -0.165 1.00 0.00 N ATOM 640 CA HIS A 46 2.115 -6.170 -0.214 1.00 0.00 C ATOM 641 C HIS A 46 1.960 -6.909 1.112 1.00 0.00 C ATOM 642 O HIS A 46 1.710 -8.115 1.135 1.00 0.00 O ATOM 643 CB HIS A 46 3.597 -5.993 -0.543 1.00 0.00 C ATOM 644 CG HIS A 46 3.844 -5.387 -1.890 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.163 -4.059 -2.071 1.00 0.00 N ATOM 646 CD2 HIS A 46 3.817 -5.938 -3.127 1.00 0.00 C ATOM 647 CE1 HIS A 46 4.320 -3.817 -3.361 1.00 0.00 C ATOM 648 NE2 HIS A 46 4.117 -4.942 -4.023 1.00 0.00 N ATOM 0 H HIS A 46 1.770 -4.261 0.585 1.00 0.00 H new ATOM 0 HA HIS A 46 1.646 -6.764 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.057 -5.364 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.090 -6.964 -0.495 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.600 -6.969 -3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.571 -2.862 -3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.174 -5.053 -5.035 1.00 0.00 H new ATOM 656 N SER A 47 2.113 -6.180 2.212 1.00 0.00 N ATOM 657 CA SER A 47 1.994 -6.768 3.542 1.00 0.00 C ATOM 658 C SER A 47 0.633 -7.433 3.723 1.00 0.00 C ATOM 659 O SER A 47 0.545 -8.612 4.065 1.00 0.00 O ATOM 660 CB SER A 47 2.200 -5.698 4.616 1.00 0.00 C ATOM 661 OG SER A 47 1.750 -6.153 5.880 1.00 0.00 O ATOM 0 H SER A 47 2.320 -5.181 2.209 1.00 0.00 H new ATOM 0 HA SER A 47 2.767 -7.530 3.646 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.256 -5.436 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.662 -4.792 4.339 1.00 0.00 H new ATOM 0 HG SER A 47 1.894 -5.452 6.550 1.00 0.00 H new ATOM 667 N HIS A 48 -0.428 -6.665 3.491 1.00 0.00 N ATOM 668 CA HIS A 48 -1.787 -7.178 3.629 1.00 0.00 C ATOM 669 C HIS A 48 -2.486 -7.232 2.274 1.00 0.00 C ATOM 670 O HIS A 48 -1.933 -6.803 1.262 1.00 0.00 O ATOM 671 CB HIS A 48 -2.588 -6.304 4.594 1.00 0.00 C ATOM 672 CG HIS A 48 -2.588 -4.852 4.231 1.00 0.00 C ATOM 673 ND1 HIS A 48 -1.458 -4.063 4.284 1.00 0.00 N ATOM 674 CD2 HIS A 48 -3.588 -4.046 3.804 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.764 -2.834 3.908 1.00 0.00 C ATOM 676 NE2 HIS A 48 -3.051 -2.797 3.611 1.00 0.00 N ATOM 0 H HIS A 48 -0.373 -5.687 3.207 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.729 -8.190 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.617 -6.662 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.180 -6.419 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.617 -4.332 3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.079 -2.001 3.853 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.562 -1.975 3.291 1.00 0.00 H new ATOM 684 N VAL A 49 -3.704 -7.765 2.263 1.00 0.00 N ATOM 685 CA VAL A 49 -4.479 -7.875 1.034 1.00 0.00 C ATOM 686 C VAL A 49 -5.242 -6.588 0.747 1.00 0.00 C ATOM 687 O VAL A 49 -6.301 -6.608 0.121 1.00 0.00 O ATOM 688 CB VAL A 49 -5.477 -9.047 1.102 1.00 0.00 C ATOM 689 CG1 VAL A 49 -4.748 -10.356 1.367 1.00 0.00 C ATOM 690 CG2 VAL A 49 -6.529 -8.787 2.171 1.00 0.00 C ATOM 0 H VAL A 49 -4.175 -8.127 3.092 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.768 -8.059 0.228 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.981 -9.129 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.470 -11.172 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.036 -10.545 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.216 -10.290 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.226 -9.624 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.043 -8.678 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.072 -7.872 1.932 1.00 0.00 H new ATOM 700 N GLY A 50 -4.696 -5.467 1.208 1.00 0.00 N ATOM 701 CA GLY A 50 -5.338 -4.184 0.991 1.00 0.00 C ATOM 702 C GLY A 50 -4.548 -3.290 0.057 1.00 0.00 C ATOM 703 O GLY A 50 -4.045 -3.744 -0.972 1.00 0.00 O ATOM 0 H GLY A 50 -3.820 -5.425 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.334 -4.345 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.467 -3.680 1.949 1.00 0.00 H new ATOM 707 N TYR A 51 -4.436 -2.015 0.415 1.00 0.00 N ATOM 708 CA TYR A 51 -3.704 -1.053 -0.401 1.00 0.00 C ATOM 709 C TYR A 51 -2.993 -0.026 0.475 1.00 0.00 C ATOM 710 O TYR A 51 -3.071 -0.077 1.702 1.00 0.00 O ATOM 711 CB TYR A 51 -4.654 -0.345 -1.368 1.00 0.00 C ATOM 712 CG TYR A 51 -5.268 -1.268 -2.397 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.217 -2.215 -2.031 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.899 -1.193 -3.734 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.781 -3.059 -2.967 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.459 -2.033 -4.678 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.399 -2.965 -4.290 1.00 0.00 C ATOM 718 OH TYR A 51 -6.958 -3.805 -5.225 1.00 0.00 O ATOM 0 H TYR A 51 -4.843 -1.624 1.265 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.953 -1.597 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.451 0.131 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.111 0.449 -1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.518 -2.292 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.162 -0.466 -4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.517 -3.789 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.162 -1.960 -5.714 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.582 -3.608 -6.108 1.00 0.00 H new ATOM 728 N THR A 52 -2.298 0.909 -0.167 1.00 0.00 N ATOM 729 CA THR A 52 -1.573 1.949 0.551 1.00 0.00 C ATOM 730 C THR A 52 -1.765 3.310 -0.110 1.00 0.00 C ATOM 731 O THR A 52 -1.361 3.518 -1.255 1.00 0.00 O ATOM 732 CB THR A 52 -0.067 1.635 0.624 1.00 0.00 C ATOM 733 OG1 THR A 52 0.143 0.400 1.318 1.00 0.00 O ATOM 734 CG2 THR A 52 0.686 2.753 1.329 1.00 0.00 C ATOM 0 H THR A 52 -2.223 0.966 -1.183 1.00 0.00 H new ATOM 0 HA THR A 52 -1.980 1.978 1.562 1.00 0.00 H new ATOM 0 HB THR A 52 0.313 1.549 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.227 -0.339 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.747 2.508 1.368 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.549 3.686 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.302 2.867 2.343 1.00 0.00 H new ATOM 742 N LEU A 53 -2.383 4.233 0.618 1.00 0.00 N ATOM 743 CA LEU A 53 -2.628 5.576 0.102 1.00 0.00 C ATOM 744 C LEU A 53 -1.539 6.542 0.558 1.00 0.00 C ATOM 745 O LEU A 53 -1.109 6.508 1.711 1.00 0.00 O ATOM 746 CB LEU A 53 -3.997 6.078 0.565 1.00 0.00 C ATOM 747 CG LEU A 53 -4.173 7.597 0.610 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.335 8.157 -0.793 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.369 7.968 1.476 1.00 0.00 C ATOM 0 H LEU A 53 -2.724 4.077 1.567 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.613 5.529 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.757 5.663 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.190 5.680 1.561 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.278 8.035 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.459 9.239 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.450 7.921 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.213 7.713 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.480 9.052 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.272 7.519 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.213 7.599 2.490 1.00 0.00 H new ATOM 761 N SER A 54 -1.098 7.400 -0.355 1.00 0.00 N ATOM 762 CA SER A 54 -0.057 8.374 -0.049 1.00 0.00 C ATOM 763 C SER A 54 -0.266 9.661 -0.840 1.00 0.00 C ATOM 764 O SER A 54 -1.071 9.707 -1.772 1.00 0.00 O ATOM 765 CB SER A 54 1.324 7.792 -0.357 1.00 0.00 C ATOM 766 OG SER A 54 1.636 6.727 0.524 1.00 0.00 O ATOM 0 H SER A 54 -1.445 7.441 -1.313 1.00 0.00 H new ATOM 0 HA SER A 54 -0.116 8.608 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.351 7.436 -1.387 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.079 8.573 -0.270 1.00 0.00 H new ATOM 0 HG SER A 54 2.608 6.673 0.641 1.00 0.00 H new ATOM 772 N TYR A 55 0.463 10.706 -0.464 1.00 0.00 N ATOM 773 CA TYR A 55 0.355 11.995 -1.137 1.00 0.00 C ATOM 774 C TYR A 55 1.384 12.981 -0.590 1.00 0.00 C ATOM 775 O TYR A 55 1.967 12.765 0.472 1.00 0.00 O ATOM 776 CB TYR A 55 -1.054 12.565 -0.970 1.00 0.00 C ATOM 777 CG TYR A 55 -1.420 12.865 0.467 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.961 11.881 1.285 1.00 0.00 C ATOM 779 CD2 TYR A 55 -1.225 14.130 1.005 1.00 0.00 C ATOM 780 CE1 TYR A 55 -2.298 12.150 2.598 1.00 0.00 C ATOM 781 CE2 TYR A 55 -1.557 14.408 2.316 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.094 13.415 3.109 1.00 0.00 C ATOM 783 OH TYR A 55 -2.428 13.687 4.415 1.00 0.00 O ATOM 0 H TYR A 55 1.135 10.686 0.303 1.00 0.00 H new ATOM 0 HA TYR A 55 0.553 11.841 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.138 13.480 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.774 11.857 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.121 10.889 0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.806 14.910 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.719 11.374 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.397 15.397 2.718 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.360 12.867 4.948 1.00 0.00 H new ATOM 793 N LYS A 56 1.599 14.068 -1.324 1.00 0.00 N ATOM 794 CA LYS A 56 2.555 15.090 -0.915 1.00 0.00 C ATOM 795 C LYS A 56 1.922 16.062 0.075 1.00 0.00 C ATOM 796 O LYS A 56 0.860 16.627 -0.188 1.00 0.00 O ATOM 797 CB LYS A 56 3.069 15.854 -2.137 1.00 0.00 C ATOM 798 CG LYS A 56 4.424 16.506 -1.922 1.00 0.00 C ATOM 799 CD LYS A 56 5.561 15.560 -2.273 1.00 0.00 C ATOM 800 CE LYS A 56 6.829 15.904 -1.507 1.00 0.00 C ATOM 801 NZ LYS A 56 6.662 15.709 -0.040 1.00 0.00 N ATOM 0 H LYS A 56 1.124 14.264 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 56 3.392 14.593 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.135 15.169 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.344 16.622 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.497 17.406 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.517 16.818 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.266 14.535 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.758 15.607 -3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.649 15.282 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.104 16.940 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.528 15.290 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.483 16.627 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.858 15.073 0.136 1.00 0.00 H new ATOM 815 N ALA A 57 2.579 16.253 1.213 1.00 0.00 N ATOM 816 CA ALA A 57 2.081 17.159 2.241 1.00 0.00 C ATOM 817 C ALA A 57 3.068 18.294 2.496 1.00 0.00 C ATOM 818 O ALA A 57 4.272 18.136 2.299 1.00 0.00 O ATOM 819 CB ALA A 57 1.807 16.396 3.529 1.00 0.00 C ATOM 0 H ALA A 57 3.458 15.792 1.447 1.00 0.00 H new ATOM 0 HA ALA A 57 1.148 17.596 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.436 17.085 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.060 15.624 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.729 15.932 3.880 1.00 0.00 H new ATOM 825 N GLN A 58 2.548 19.436 2.935 1.00 0.00 N ATOM 826 CA GLN A 58 3.384 20.597 3.215 1.00 0.00 C ATOM 827 C GLN A 58 4.659 20.187 3.945 1.00 0.00 C ATOM 828 O GLN A 58 5.744 20.683 3.643 1.00 0.00 O ATOM 829 CB GLN A 58 2.610 21.619 4.051 1.00 0.00 C ATOM 830 CG GLN A 58 1.621 22.443 3.242 1.00 0.00 C ATOM 831 CD GLN A 58 0.247 21.806 3.175 1.00 0.00 C ATOM 832 OE1 GLN A 58 0.102 20.597 3.357 1.00 0.00 O ATOM 833 NE2 GLN A 58 -0.770 22.618 2.914 1.00 0.00 N ATOM 0 H GLN A 58 1.553 19.582 3.104 1.00 0.00 H new ATOM 0 HA GLN A 58 3.662 21.051 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.073 21.096 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.318 22.290 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.536 23.436 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.006 22.575 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.603 23.614 2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.718 22.246 2.858 1.00 0.00 H new ATOM 842 N SER A 59 4.519 19.278 4.905 1.00 0.00 N ATOM 843 CA SER A 59 5.659 18.804 5.680 1.00 0.00 C ATOM 844 C SER A 59 6.528 17.865 4.849 1.00 0.00 C ATOM 845 O SER A 59 7.688 18.163 4.565 1.00 0.00 O ATOM 846 CB SER A 59 5.181 18.091 6.946 1.00 0.00 C ATOM 847 OG SER A 59 5.049 18.999 8.025 1.00 0.00 O ATOM 0 H SER A 59 3.628 18.855 5.164 1.00 0.00 H new ATOM 0 HA SER A 59 6.259 19.669 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.223 17.607 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.887 17.305 7.213 1.00 0.00 H new ATOM 0 HG SER A 59 4.741 18.518 8.821 1.00 0.00 H new ATOM 853 N SER A 60 5.958 16.727 4.465 1.00 0.00 N ATOM 854 CA SER A 60 6.679 15.741 3.670 1.00 0.00 C ATOM 855 C SER A 60 5.760 14.596 3.259 1.00 0.00 C ATOM 856 O SER A 60 4.662 14.443 3.796 1.00 0.00 O ATOM 857 CB SER A 60 7.872 15.194 4.458 1.00 0.00 C ATOM 858 OG SER A 60 9.031 15.979 4.240 1.00 0.00 O ATOM 0 H SER A 60 4.999 16.465 4.692 1.00 0.00 H new ATOM 0 HA SER A 60 7.042 16.234 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.633 15.180 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.066 14.163 4.161 1.00 0.00 H new ATOM 0 HG SER A 60 8.778 16.923 4.165 1.00 0.00 H new ATOM 864 N CYS A 61 6.215 13.795 2.302 1.00 0.00 N ATOM 865 CA CYS A 61 5.433 12.662 1.816 1.00 0.00 C ATOM 866 C CYS A 61 4.902 11.830 2.978 1.00 0.00 C ATOM 867 O CYS A 61 5.594 11.627 3.977 1.00 0.00 O ATOM 868 CB CYS A 61 6.281 11.789 0.892 1.00 0.00 C ATOM 869 SG CYS A 61 6.247 12.299 -0.843 1.00 0.00 S ATOM 0 H CYS A 61 7.121 13.908 1.847 1.00 0.00 H new ATOM 0 HA CYS A 61 4.584 13.052 1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.313 11.802 1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.933 10.758 0.963 1.00 0.00 H new ATOM 0 HG CYS A 61 7.376 11.990 -1.408 1.00 0.00 H new ATOM 875 N CYS A 62 3.671 11.351 2.843 1.00 0.00 N ATOM 876 CA CYS A 62 3.047 10.540 3.883 1.00 0.00 C ATOM 877 C CYS A 62 2.612 9.187 3.330 1.00 0.00 C ATOM 878 O CYS A 62 2.273 9.098 2.152 1.00 0.00 O ATOM 879 CB CYS A 62 1.842 11.274 4.475 1.00 0.00 C ATOM 880 SG CYS A 62 2.277 12.649 5.565 1.00 0.00 S ATOM 0 H CYS A 62 3.085 11.510 2.024 1.00 0.00 H new ATOM 0 HA CYS A 62 3.783 10.371 4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.224 11.652 3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.234 10.561 5.032 1.00 0.00 H new ATOM 0 HG CYS A 62 3.161 13.402 4.981 1.00 0.00 H new ATOM 886 N HIS A 63 2.633 8.174 4.184 1.00 0.00 N ATOM 887 CA HIS A 63 2.242 6.837 3.769 1.00 0.00 C ATOM 888 C HIS A 63 1.129 6.321 4.682 1.00 0.00 C ATOM 889 O HIS A 63 1.268 6.245 5.903 1.00 0.00 O ATOM 890 CB HIS A 63 3.454 5.904 3.727 1.00 0.00 C ATOM 891 CG HIS A 63 4.517 6.322 2.739 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.468 5.982 1.398 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.655 7.054 2.910 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.535 6.491 0.799 1.00 0.00 C ATOM 895 NE2 HIS A 63 6.269 7.155 1.737 1.00 0.00 N ATOM 0 H HIS A 63 2.915 8.252 5.161 1.00 0.00 H new ATOM 0 HA HIS A 63 1.846 6.869 2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.896 5.855 4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.117 4.898 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.998 7.479 3.841 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.780 6.396 -0.249 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.145 7.648 1.566 1.00 0.00 H new ATOM 903 N PHE A 64 0.011 5.965 4.058 1.00 0.00 N ATOM 904 CA PHE A 64 -1.144 5.455 4.788 1.00 0.00 C ATOM 905 C PHE A 64 -1.486 4.037 4.341 1.00 0.00 C ATOM 906 O PHE A 64 -1.447 3.723 3.151 1.00 0.00 O ATOM 907 CB PHE A 64 -2.350 6.373 4.583 1.00 0.00 C ATOM 908 CG PHE A 64 -2.080 7.807 4.938 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.459 8.653 4.033 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.448 8.309 6.176 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.208 9.973 4.356 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.201 9.629 6.504 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.579 10.461 5.594 1.00 0.00 C ATOM 0 H PHE A 64 -0.120 6.020 3.048 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.892 5.432 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.665 6.318 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.181 6.008 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.168 8.276 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.933 7.662 6.892 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.723 10.622 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.494 10.009 7.471 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.383 11.492 5.850 1.00 0.00 H new ATOM 923 N MET A 65 -1.823 3.184 5.303 1.00 0.00 N ATOM 924 CA MET A 65 -2.173 1.800 5.009 1.00 0.00 C ATOM 925 C MET A 65 -3.687 1.614 4.995 1.00 0.00 C ATOM 926 O MET A 65 -4.393 2.120 5.866 1.00 0.00 O ATOM 927 CB MET A 65 -1.542 0.861 6.039 1.00 0.00 C ATOM 928 CG MET A 65 -2.318 0.781 7.344 1.00 0.00 C ATOM 929 SD MET A 65 -1.751 -0.561 8.408 1.00 0.00 S ATOM 930 CE MET A 65 -2.615 -1.953 7.685 1.00 0.00 C ATOM 0 H MET A 65 -1.861 3.427 6.293 1.00 0.00 H new ATOM 0 HA MET A 65 -1.785 1.556 4.020 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.466 -0.138 5.609 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.526 1.196 6.250 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.223 1.727 7.877 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.377 0.643 7.125 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.305 -2.373 8.417 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.172 -1.620 6.809 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.894 -2.715 7.388 1.00 0.00 H new ATOM 940 N VAL A 66 -4.180 0.883 3.999 1.00 0.00 N ATOM 941 CA VAL A 66 -5.610 0.630 3.873 1.00 0.00 C ATOM 942 C VAL A 66 -5.906 -0.867 3.883 1.00 0.00 C ATOM 943 O VAL A 66 -5.526 -1.592 2.964 1.00 0.00 O ATOM 944 CB VAL A 66 -6.177 1.245 2.580 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.666 0.958 2.459 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.910 2.743 2.541 1.00 0.00 C ATOM 0 H VAL A 66 -3.610 0.456 3.269 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.091 1.099 4.731 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.673 0.786 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.048 1.401 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.828 -0.120 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.190 1.387 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.317 3.161 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.386 3.220 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.835 2.922 2.576 1.00 0.00 H new ATOM 956 N LYS A 67 -6.588 -1.322 4.928 1.00 0.00 N ATOM 957 CA LYS A 67 -6.938 -2.731 5.058 1.00 0.00 C ATOM 958 C LYS A 67 -8.146 -3.074 4.192 1.00 0.00 C ATOM 959 O LYS A 67 -8.736 -2.199 3.558 1.00 0.00 O ATOM 960 CB LYS A 67 -7.233 -3.071 6.521 1.00 0.00 C ATOM 961 CG LYS A 67 -6.230 -2.481 7.497 1.00 0.00 C ATOM 962 CD LYS A 67 -6.740 -2.541 8.926 1.00 0.00 C ATOM 963 CE LYS A 67 -7.706 -1.402 9.221 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.121 -1.382 10.650 1.00 0.00 N ATOM 0 H LYS A 67 -6.910 -0.735 5.698 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.089 -3.324 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.230 -2.710 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.247 -4.155 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.287 -3.023 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.024 -1.445 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.238 -3.495 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.898 -2.494 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.236 -0.452 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.588 -1.501 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.724 -0.553 10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.652 -2.249 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.277 -1.330 11.256 1.00 0.00 H new ATOM 978 N LEU A 68 -8.510 -4.352 4.171 1.00 0.00 N ATOM 979 CA LEU A 68 -9.649 -4.811 3.385 1.00 0.00 C ATOM 980 C LEU A 68 -10.723 -5.415 4.282 1.00 0.00 C ATOM 981 O LEU A 68 -10.593 -6.549 4.746 1.00 0.00 O ATOM 982 CB LEU A 68 -9.196 -5.840 2.347 1.00 0.00 C ATOM 983 CG LEU A 68 -10.028 -5.915 1.068 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.511 -7.019 0.158 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.497 -6.139 1.399 1.00 0.00 C ATOM 0 H LEU A 68 -8.032 -5.089 4.690 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.075 -3.949 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.164 -5.620 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.198 -6.824 2.816 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.935 -4.965 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.116 -7.057 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.473 -6.816 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.573 -7.976 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.074 -6.190 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.608 -7.074 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.862 -5.314 2.010 1.00 0.00 H new ATOM 997 N LEU A 69 -11.784 -4.653 4.523 1.00 0.00 N ATOM 998 CA LEU A 69 -12.883 -5.113 5.364 1.00 0.00 C ATOM 999 C LEU A 69 -13.443 -6.436 4.850 1.00 0.00 C ATOM 1000 O LEU A 69 -13.012 -6.945 3.815 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.991 -4.061 5.410 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.658 -2.768 6.155 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -13.036 -3.077 7.508 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.728 -1.897 5.325 1.00 0.00 C ATOM 0 H LEU A 69 -11.906 -3.713 4.147 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.497 -5.269 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.266 -3.807 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.870 -4.508 5.874 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.585 -2.218 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.806 -2.145 8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.737 -3.659 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.119 -3.649 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.502 -0.981 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.803 -2.438 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.211 -1.646 4.381 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.407 -6.987 5.579 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.030 -8.249 5.197 1.00 0.00 C ATOM 1018 C ASP A 70 -16.159 -8.017 4.197 1.00 0.00 C ATOM 1019 O ASP A 70 -16.508 -8.907 3.421 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.567 -8.973 6.433 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.859 -8.366 6.942 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.900 -7.134 7.137 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.829 -9.125 7.147 1.00 0.00 O ATOM 0 H ASP A 70 -14.774 -6.579 6.439 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.271 -8.871 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.732 -10.023 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.817 -8.941 7.224 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.727 -6.816 4.223 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.817 -6.467 3.318 1.00 0.00 C ATOM 1030 C ASP A 71 -17.279 -6.072 1.947 1.00 0.00 C ATOM 1031 O ASP A 71 -18.006 -5.523 1.119 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.647 -5.323 3.904 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.730 -5.814 4.842 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.555 -6.648 4.411 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -19.756 -5.367 6.008 1.00 0.00 O ATOM 0 H ASP A 71 -16.451 -6.069 4.860 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.454 -7.344 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.989 -4.639 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.103 -4.756 3.092 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.002 -6.354 1.713 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.388 -6.020 0.441 1.00 0.00 C ATOM 1042 C GLY A 72 -15.051 -4.547 0.329 1.00 0.00 C ATOM 1043 O GLY A 72 -14.743 -4.053 -0.757 1.00 0.00 O ATOM 0 H GLY A 72 -15.380 -6.808 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.479 -6.608 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.063 -6.298 -0.369 1.00 0.00 H new ATOM 1047 N THR A 73 -15.110 -3.841 1.453 1.00 0.00 N ATOM 1048 CA THR A 73 -14.811 -2.414 1.477 1.00 0.00 C ATOM 1049 C THR A 73 -13.401 -2.157 1.997 1.00 0.00 C ATOM 1050 O THR A 73 -12.657 -3.092 2.294 1.00 0.00 O ATOM 1051 CB THR A 73 -15.817 -1.644 2.353 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.762 -2.125 3.700 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.231 -1.794 1.812 1.00 0.00 C ATOM 0 H THR A 73 -15.362 -4.234 2.360 1.00 0.00 H new ATOM 0 HA THR A 73 -14.888 -2.057 0.450 1.00 0.00 H new ATOM 0 HB THR A 73 -15.548 -0.588 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.403 -1.629 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.924 -1.242 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.276 -1.400 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.508 -2.848 1.804 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.039 -0.883 2.104 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.717 -0.502 2.588 1.00 0.00 C ATOM 1063 C PHE A 74 -11.809 0.678 3.550 1.00 0.00 C ATOM 1064 O PHE A 74 -12.348 1.730 3.210 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.803 -0.146 1.413 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.872 -1.131 0.280 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.970 -1.161 -0.563 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.836 -2.025 0.061 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.035 -2.066 -1.606 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.897 -2.932 -0.980 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.998 -2.954 -1.814 1.00 0.00 C ATOM 0 H PHE A 74 -13.642 -0.097 1.862 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.295 -1.353 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.071 0.843 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.774 -0.085 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.785 -0.470 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.973 -2.013 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.896 -2.079 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.084 -3.624 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.048 -3.664 -2.627 1.00 0.00 H new ATOM 1081 N MET A 75 -11.279 0.494 4.755 1.00 0.00 N ATOM 1082 CA MET A 75 -11.300 1.543 5.768 1.00 0.00 C ATOM 1083 C MET A 75 -9.913 1.749 6.368 1.00 0.00 C ATOM 1084 O MET A 75 -9.239 0.787 6.737 1.00 0.00 O ATOM 1085 CB MET A 75 -12.300 1.194 6.873 1.00 0.00 C ATOM 1086 CG MET A 75 -12.036 1.919 8.182 1.00 0.00 C ATOM 1087 SD MET A 75 -13.533 2.159 9.158 1.00 0.00 S ATOM 1088 CE MET A 75 -13.086 3.607 10.113 1.00 0.00 C ATOM 0 H MET A 75 -10.830 -0.372 5.054 1.00 0.00 H new ATOM 0 HA MET A 75 -11.609 2.471 5.287 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.306 1.435 6.530 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.272 0.119 7.051 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.312 1.352 8.767 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.585 2.889 7.971 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.913 3.881 10.768 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.204 3.388 10.715 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.868 4.435 9.438 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.495 3.005 6.463 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.188 3.336 7.019 1.00 0.00 C ATOM 1100 C ILE A 76 -8.196 3.231 8.540 1.00 0.00 C ATOM 1101 O ILE A 76 -9.115 3.696 9.214 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.747 4.754 6.615 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.678 4.877 5.091 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.400 5.088 7.239 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.356 6.275 4.611 1.00 0.00 C ATOM 0 H ILE A 76 -10.042 3.812 6.162 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.479 2.615 6.611 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.485 5.466 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.922 4.189 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.633 4.567 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.102 6.094 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.479 5.037 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.653 4.373 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.323 6.287 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.125 6.965 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.388 6.581 5.006 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.147 2.608 9.096 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.007 2.430 10.544 1.00 0.00 C ATOM 1119 C PRO A 77 -6.733 3.745 11.265 1.00 0.00 C ATOM 1120 O PRO A 77 -5.591 4.054 11.602 1.00 0.00 O ATOM 1121 CB PRO A 77 -5.806 1.490 10.672 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.014 1.715 9.431 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.014 2.029 8.353 1.00 0.00 C ATOM 0 HA PRO A 77 -7.919 2.042 10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.219 1.716 11.562 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.124 0.451 10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.310 2.537 9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.429 0.831 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.611 2.731 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.308 1.134 7.805 1.00 0.00 H new ATOM 1131 N GLY A 78 -7.790 4.517 11.501 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.642 5.790 12.183 1.00 0.00 C ATOM 1133 C GLY A 78 -8.826 6.708 11.959 1.00 0.00 C ATOM 1134 O GLY A 78 -9.139 7.544 12.805 1.00 0.00 O ATOM 0 H GLY A 78 -8.746 4.284 11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.520 5.614 13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.734 6.282 11.835 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.485 6.555 10.815 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.640 7.380 10.481 1.00 0.00 C ATOM 1140 C GLU A 79 -11.909 6.822 11.119 1.00 0.00 C ATOM 1141 O GLU A 79 -11.865 5.846 11.868 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.814 7.465 8.964 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.894 8.478 8.302 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.394 9.902 8.446 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -11.389 10.251 7.777 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.790 10.666 9.226 1.00 0.00 O ATOM 0 H GLU A 79 -9.239 5.867 10.103 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.465 8.381 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.631 6.482 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.848 7.725 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.899 8.400 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.796 8.237 7.244 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.041 7.450 10.817 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.323 7.017 11.359 1.00 0.00 C ATOM 1155 C LYS A 80 -15.310 6.706 10.238 1.00 0.00 C ATOM 1156 O LYS A 80 -16.522 6.670 10.456 1.00 0.00 O ATOM 1157 CB LYS A 80 -14.903 8.097 12.276 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.049 8.375 13.502 1.00 0.00 C ATOM 1159 CD LYS A 80 -12.983 9.419 13.214 1.00 0.00 C ATOM 1160 CE LYS A 80 -13.557 10.827 13.243 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.691 11.342 14.634 1.00 0.00 N ATOM 0 H LYS A 80 -13.096 8.260 10.200 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.156 6.108 11.937 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.020 9.020 11.708 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.899 7.792 12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.684 8.718 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.575 7.451 13.833 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.183 9.336 13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.539 9.227 12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.913 11.494 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.533 10.831 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.086 12.304 14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.325 10.720 15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.756 11.362 15.088 1.00 0.00 H new ATOM 1175 N VAL A 81 -14.784 6.479 9.038 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.618 6.167 7.884 1.00 0.00 C ATOM 1177 C VAL A 81 -14.927 5.171 6.961 1.00 0.00 C ATOM 1178 O VAL A 81 -13.715 4.972 7.040 1.00 0.00 O ATOM 1179 CB VAL A 81 -15.966 7.437 7.084 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.071 8.219 7.778 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.729 8.302 6.892 1.00 0.00 C ATOM 0 H VAL A 81 -13.784 6.505 8.840 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.538 5.725 8.267 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.328 7.138 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.303 9.113 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.962 7.596 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -16.740 8.509 8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.994 9.195 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.335 8.594 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.971 7.738 6.348 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.707 4.547 6.083 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.170 3.573 5.142 1.00 0.00 C ATOM 1193 C ALA A 82 -15.665 3.847 3.726 1.00 0.00 C ATOM 1194 O ALA A 82 -16.457 4.762 3.501 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.546 2.162 5.570 1.00 0.00 C ATOM 0 H ALA A 82 -16.713 4.699 6.005 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.084 3.664 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.138 1.445 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.138 1.961 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.632 2.068 5.599 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.192 3.049 2.773 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.586 3.207 1.378 1.00 0.00 C ATOM 1203 C HIS A 83 -15.551 1.867 0.649 1.00 0.00 C ATOM 1204 O HIS A 83 -14.744 0.994 0.970 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.669 4.207 0.676 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.264 5.359 1.543 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -13.195 5.523 2.357 1.00 0.00 N flip ATOM 1208 CD2 HIS A 83 -14.998 6.523 1.639 1.00 0.00 C flip ATOM 1209 CE1 HIS A 83 -13.301 6.769 2.924 1.00 0.00 C flip ATOM 1210 NE2 HIS A 83 -14.398 7.352 2.474 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.536 2.287 2.942 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.608 3.587 1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.774 3.688 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.174 4.590 -0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.920 6.725 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.602 7.202 3.624 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.726 8.284 2.728 1.00 0.00 H new ATOM 1218 N THR A 84 -16.432 1.709 -0.334 1.00 0.00 N ATOM 1219 CA THR A 84 -16.504 0.476 -1.108 1.00 0.00 C ATOM 1220 C THR A 84 -15.141 0.113 -1.688 1.00 0.00 C ATOM 1221 O THR A 84 -14.651 -0.999 -1.495 1.00 0.00 O ATOM 1222 CB THR A 84 -17.524 0.591 -2.255 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.331 1.821 -2.962 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.948 0.525 -1.721 1.00 0.00 C ATOM 0 H THR A 84 -17.107 2.421 -0.613 1.00 0.00 H new ATOM 0 HA THR A 84 -16.827 -0.309 -0.424 1.00 0.00 H new ATOM 0 HB THR A 84 -17.368 -0.246 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.983 1.885 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.651 0.608 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.101 -0.425 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.113 1.345 -1.021 1.00 0.00 H new ATOM 1232 N SER A 85 -14.536 1.058 -2.401 1.00 0.00 N ATOM 1233 CA SER A 85 -13.231 0.835 -3.013 1.00 0.00 C ATOM 1234 C SER A 85 -12.396 2.112 -2.990 1.00 0.00 C ATOM 1235 O SER A 85 -12.928 3.214 -2.859 1.00 0.00 O ATOM 1236 CB SER A 85 -13.397 0.346 -4.453 1.00 0.00 C ATOM 1237 OG SER A 85 -13.727 -1.032 -4.489 1.00 0.00 O ATOM 0 H SER A 85 -14.928 1.984 -2.569 1.00 0.00 H new ATOM 0 HA SER A 85 -12.711 0.071 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.178 0.923 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.474 0.517 -5.007 1.00 0.00 H new ATOM 0 HG SER A 85 -14.097 -1.303 -3.623 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.083 1.954 -3.120 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.172 3.092 -3.114 1.00 0.00 C ATOM 1245 C LEU A 86 -10.793 4.291 -3.824 1.00 0.00 C ATOM 1246 O LEU A 86 -10.764 5.411 -3.313 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.850 2.717 -3.786 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.058 1.587 -3.126 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -6.927 1.127 -4.031 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.516 2.034 -1.776 1.00 0.00 C ATOM 0 H LEU A 86 -10.626 1.049 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.980 3.366 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.058 2.434 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.218 3.605 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.731 0.745 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.375 0.323 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.339 0.766 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.254 1.962 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.955 1.218 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.859 2.893 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.345 2.312 -1.125 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.356 4.048 -5.002 1.00 0.00 N ATOM 1263 CA ASP A 87 -11.988 5.106 -5.781 1.00 0.00 C ATOM 1264 C ASP A 87 -12.927 5.935 -4.911 1.00 0.00 C ATOM 1265 O ASP A 87 -12.749 7.144 -4.767 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.759 4.510 -6.960 1.00 0.00 C ATOM 1267 CG ASP A 87 -13.494 5.565 -7.763 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -14.574 6.004 -7.316 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -12.992 5.948 -8.840 1.00 0.00 O ATOM 0 H ASP A 87 -11.388 3.127 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.204 5.760 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.066 3.978 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.474 3.776 -6.589 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.926 5.276 -4.333 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.891 5.952 -3.475 1.00 0.00 C ATOM 1276 C ALA A 88 -14.237 6.433 -2.185 1.00 0.00 C ATOM 1277 O ALA A 88 -14.845 7.168 -1.405 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.059 5.028 -3.165 1.00 0.00 C ATOM 0 H ALA A 88 -14.088 4.275 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.265 6.826 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.772 5.546 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.550 4.738 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.693 4.137 -2.655 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.996 6.016 -1.964 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.259 6.404 -0.767 1.00 0.00 C ATOM 1286 C LEU A 89 -11.361 7.605 -1.045 1.00 0.00 C ATOM 1287 O LEU A 89 -11.042 8.377 -0.141 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.417 5.231 -0.260 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.104 5.597 0.433 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.748 4.559 1.486 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.983 5.731 -0.586 1.00 0.00 C ATOM 0 H LEU A 89 -12.478 5.408 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.982 6.684 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.022 4.650 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.190 4.581 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.234 6.558 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.811 4.837 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.540 4.512 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.637 3.583 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.056 5.992 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.854 4.785 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.234 6.513 -1.303 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.960 7.759 -2.303 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.103 8.869 -2.702 1.00 0.00 C ATOM 1305 C VAL A 90 -10.890 10.172 -2.777 1.00 0.00 C ATOM 1306 O VAL A 90 -10.463 11.201 -2.253 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.439 8.603 -4.066 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.745 9.857 -4.575 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.459 7.444 -3.964 1.00 0.00 C ATOM 0 H VAL A 90 -11.215 7.129 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.328 8.960 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.214 8.330 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.282 9.650 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.476 10.657 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.979 10.163 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.999 7.270 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.686 7.685 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.989 6.546 -3.647 1.00 0.00 H new ATOM 1319 N THR A 91 -12.045 10.122 -3.434 1.00 0.00 N ATOM 1320 CA THR A 91 -12.893 11.298 -3.579 1.00 0.00 C ATOM 1321 C THR A 91 -13.233 11.902 -2.221 1.00 0.00 C ATOM 1322 O THR A 91 -13.070 13.104 -2.006 1.00 0.00 O ATOM 1323 CB THR A 91 -14.201 10.960 -4.320 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.909 10.497 -5.643 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.112 12.177 -4.392 1.00 0.00 C ATOM 0 H THR A 91 -12.414 9.279 -3.874 1.00 0.00 H new ATOM 0 HA THR A 91 -12.329 12.024 -4.165 1.00 0.00 H new ATOM 0 HB THR A 91 -14.714 10.174 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.745 10.283 -6.107 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.029 11.914 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.356 12.509 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.604 12.981 -4.925 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.705 11.063 -1.306 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.067 11.514 0.032 1.00 0.00 C ATOM 1335 C PHE A 92 -12.863 12.120 0.746 1.00 0.00 C ATOM 1336 O PHE A 92 -13.006 13.027 1.568 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.628 10.350 0.851 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.226 10.774 2.162 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.425 10.960 3.277 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.592 10.985 2.280 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -14.973 11.350 4.485 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.145 11.376 3.484 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.335 11.557 4.588 1.00 0.00 C ATOM 0 H PHE A 92 -13.846 10.066 -1.467 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.833 12.283 -0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.388 9.836 0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.831 9.631 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.360 10.798 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.230 10.842 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.337 11.493 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.210 11.540 3.562 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.766 11.860 5.531 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.676 11.613 0.428 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.446 12.104 1.039 1.00 0.00 C ATOM 1355 C HIS A 93 -10.170 13.544 0.622 1.00 0.00 C ATOM 1356 O HIS A 93 -9.686 14.349 1.417 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.267 11.211 0.650 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.054 10.059 1.582 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.189 10.163 2.950 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.715 8.772 1.336 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -8.941 8.990 3.505 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.652 8.129 2.547 1.00 0.00 N ATOM 0 H HIS A 93 -11.540 10.862 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.570 12.076 2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.430 10.827 -0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.360 11.815 0.619 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.441 11.013 3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.529 8.333 0.367 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -8.970 8.773 4.562 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.478 13.862 -0.632 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.260 15.205 -1.155 1.00 0.00 C ATOM 1372 C GLN A 94 -11.019 16.240 -0.331 1.00 0.00 C ATOM 1373 O GLN A 94 -10.710 17.431 -0.376 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.697 15.282 -2.619 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.633 14.813 -3.598 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.174 14.615 -5.000 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.281 14.106 -5.184 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.397 15.019 -5.997 1.00 0.00 N ATOM 0 H GLN A 94 -10.879 13.208 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.194 15.425 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.594 14.678 -2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.967 16.311 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.823 15.542 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.206 13.875 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.487 15.435 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.709 14.913 -6.962 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.013 15.777 0.421 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.815 16.664 1.255 1.00 0.00 C ATOM 1389 C GLN A 95 -12.541 16.417 2.735 1.00 0.00 C ATOM 1390 O GLN A 95 -12.777 17.285 3.575 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.303 16.466 0.961 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.647 16.545 -0.518 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.140 16.640 -0.766 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.780 17.627 -0.399 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.703 15.612 -1.390 1.00 0.00 N ATOM 0 H GLN A 95 -12.282 14.794 0.470 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.537 17.691 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.615 15.495 1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.875 17.222 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.154 17.413 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.253 15.665 -1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.134 14.815 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.704 15.619 -1.583 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.040 15.227 3.048 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.731 14.865 4.426 1.00 0.00 C ATOM 1406 C LYS A 96 -10.313 14.311 4.538 1.00 0.00 C ATOM 1407 O LYS A 96 -9.985 13.262 3.985 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.734 13.830 4.940 1.00 0.00 C ATOM 1409 CG LYS A 96 -13.965 14.446 5.583 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.765 14.665 7.073 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.942 13.373 7.856 1.00 0.00 C ATOM 1412 NZ LYS A 96 -15.377 13.084 8.132 1.00 0.00 N ATOM 0 H LYS A 96 -11.839 14.496 2.365 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.801 15.766 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.046 13.195 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.239 13.185 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.191 15.398 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.825 13.796 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.767 15.066 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.477 15.409 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.506 12.546 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.398 13.442 8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.456 12.196 8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.787 13.861 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.892 12.993 7.233 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.453 15.031 5.272 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.058 14.630 5.477 1.00 0.00 C ATOM 1428 C PRO A 97 -7.933 13.396 6.364 1.00 0.00 C ATOM 1429 O PRO A 97 -8.935 12.792 6.746 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.436 15.847 6.165 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.578 16.525 6.840 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.776 16.292 5.961 1.00 0.00 C ATOM 0 HA PRO A 97 -7.571 14.357 4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.672 15.548 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.954 16.507 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.740 16.116 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.383 17.591 6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.693 16.208 6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.922 17.110 5.255 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.698 13.027 6.686 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.443 11.865 7.529 1.00 0.00 C ATOM 1442 C ILE A 98 -6.424 12.250 9.004 1.00 0.00 C ATOM 1443 O ILE A 98 -5.970 13.335 9.366 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.107 11.189 7.168 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -4.810 11.362 5.677 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.142 9.715 7.540 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -5.951 10.935 4.781 1.00 0.00 C ATOM 0 H ILE A 98 -5.858 13.516 6.376 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.256 11.161 7.350 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.309 11.667 7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.576 12.408 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.922 10.783 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.191 9.251 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.313 9.614 8.612 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.948 9.222 6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.671 11.085 3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.171 9.881 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.835 11.531 5.009 1.00 0.00 H new ATOM 1459 N GLU A 99 -6.917 11.352 9.852 1.00 0.00 N ATOM 1460 CA GLU A 99 -6.955 11.598 11.288 1.00 0.00 C ATOM 1461 C GLU A 99 -5.702 12.340 11.745 1.00 0.00 C ATOM 1462 O GLU A 99 -5.768 13.434 12.308 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.087 10.278 12.051 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.421 10.294 13.416 1.00 0.00 C ATOM 1465 CD GLU A 99 -6.993 9.254 14.357 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.052 9.518 14.963 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.381 8.171 14.487 1.00 0.00 O ATOM 0 H GLU A 99 -7.295 10.448 9.569 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.824 12.221 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.144 10.044 12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.651 9.478 11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.352 10.121 13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.536 11.283 13.860 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.533 11.731 11.501 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.243 12.315 11.880 1.00 0.00 C ATOM 1476 C PRO A 100 -2.892 13.540 11.042 1.00 0.00 C ATOM 1477 O PRO A 100 -2.577 14.602 11.580 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.248 11.183 11.612 1.00 0.00 C ATOM 1479 CG PRO A 100 -2.901 10.344 10.569 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.379 10.427 10.835 1.00 0.00 C ATOM 0 HA PRO A 100 -3.243 12.666 12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.290 11.571 11.265 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.050 10.608 12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.663 10.709 9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.552 9.313 10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.957 10.376 9.912 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.720 9.609 11.470 1.00 0.00 H new ATOM 1488 N ARG A 101 -2.949 13.386 9.724 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.637 14.481 8.813 1.00 0.00 C ATOM 1490 C ARG A 101 -3.896 15.267 8.456 1.00 0.00 C ATOM 1491 O ARG A 101 -4.809 14.741 7.821 1.00 0.00 O ATOM 1492 CB ARG A 101 -1.983 13.942 7.539 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.552 13.472 7.743 1.00 0.00 C ATOM 1494 CD ARG A 101 -0.503 12.099 8.394 1.00 0.00 C ATOM 1495 NE ARG A 101 0.853 11.556 8.425 1.00 0.00 N ATOM 1496 CZ ARG A 101 1.736 11.840 9.376 1.00 0.00 C ATOM 1497 NH1 ARG A 101 1.409 12.657 10.367 1.00 0.00 N ATOM 1498 NH2 ARG A 101 2.951 11.307 9.335 1.00 0.00 N ATOM 0 H ARG A 101 -3.208 12.514 9.263 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.940 15.151 9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.578 13.112 7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.996 14.721 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.039 13.439 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.017 14.190 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.890 12.166 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.155 11.416 7.849 1.00 0.00 H new ATOM 0 HE ARG A 101 1.137 10.925 7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.477 13.070 10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.089 12.873 11.096 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.207 10.679 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.629 11.525 10.065 1.00 0.00 H new ATOM 1512 N ARG A 102 -3.936 16.529 8.871 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.082 17.387 8.596 1.00 0.00 C ATOM 1514 C ARG A 102 -4.958 18.038 7.222 1.00 0.00 C ATOM 1515 O ARG A 102 -5.510 19.111 6.981 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.208 18.465 9.674 1.00 0.00 C ATOM 1517 CG ARG A 102 -3.993 19.373 9.772 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.119 20.574 8.848 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.415 21.743 9.369 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.578 22.972 8.894 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.417 23.192 7.891 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -2.902 23.984 9.422 1.00 0.00 N ATOM 0 H ARG A 102 -3.188 16.980 9.399 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.978 16.767 8.604 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.089 19.072 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.371 17.985 10.639 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.875 19.715 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.095 18.810 9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.721 20.319 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.173 20.817 8.711 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.762 21.608 10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.939 22.416 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.541 24.137 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.256 23.818 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.028 24.928 9.056 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.228 17.381 6.326 1.00 0.00 N ATOM 1537 CA GLU A 103 -4.031 17.898 4.976 1.00 0.00 C ATOM 1538 C GLU A 103 -4.980 17.221 3.991 1.00 0.00 C ATOM 1539 O GLU A 103 -5.275 16.031 4.112 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.582 17.687 4.532 1.00 0.00 C ATOM 1541 CG GLU A 103 -2.269 18.289 3.173 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.742 19.723 3.047 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.643 20.470 4.043 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.215 20.100 1.954 1.00 0.00 O ATOM 0 H GLU A 103 -3.764 16.491 6.510 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.248 18.966 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.916 18.124 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.371 16.618 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.193 18.249 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.739 17.686 2.396 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.456 17.988 3.016 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.372 17.464 2.009 1.00 0.00 C ATOM 1553 C LEU A 104 -5.646 17.205 0.693 1.00 0.00 C ATOM 1554 O LEU A 104 -4.463 17.522 0.552 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.526 18.443 1.783 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.673 18.373 2.792 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.794 19.321 2.392 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.193 16.948 2.911 1.00 0.00 C ATOM 0 H LEU A 104 -5.223 18.974 2.902 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.771 16.518 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.123 19.456 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.934 18.269 0.787 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.294 18.682 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.602 19.258 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.413 20.342 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.171 19.043 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.009 16.917 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.555 16.611 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.388 16.294 3.245 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.359 16.628 -0.267 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.783 16.328 -1.573 1.00 0.00 C ATOM 1572 C LEU A 105 -6.202 17.369 -2.606 1.00 0.00 C ATOM 1573 O LEU A 105 -7.060 18.213 -2.341 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.212 14.933 -2.034 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.101 13.819 -0.992 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.686 12.524 -1.533 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.651 13.620 -0.575 1.00 0.00 C ATOM 0 H LEU A 105 -7.337 16.358 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.697 16.355 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.247 14.986 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.609 14.656 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.673 14.112 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.599 11.742 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.737 12.675 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.142 12.226 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.592 12.824 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.056 13.349 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.266 14.545 -0.146 1.00 0.00 H new ATOM 1589 N THR A 106 -5.595 17.302 -3.787 1.00 0.00 N ATOM 1590 CA THR A 106 -5.907 18.237 -4.861 1.00 0.00 C ATOM 1591 C THR A 106 -6.184 17.502 -6.167 1.00 0.00 C ATOM 1592 O THR A 106 -7.253 17.650 -6.759 1.00 0.00 O ATOM 1593 CB THR A 106 -4.760 19.240 -5.082 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.761 18.664 -5.930 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.134 19.648 -3.757 1.00 0.00 C ATOM 0 H THR A 106 -4.884 16.610 -4.024 1.00 0.00 H new ATOM 0 HA THR A 106 -6.802 18.781 -4.557 1.00 0.00 H new ATOM 0 HB THR A 106 -5.172 20.129 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.036 19.309 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.326 20.357 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.890 20.114 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.736 18.766 -3.256 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.214 16.709 -6.612 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.354 15.951 -7.849 1.00 0.00 C ATOM 1605 C GLN A 107 -4.508 14.682 -7.809 1.00 0.00 C ATOM 1606 O GLN A 107 -3.465 14.623 -7.159 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.949 16.811 -9.047 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.504 17.283 -8.996 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.179 18.283 -10.089 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.299 17.983 -11.276 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.763 19.480 -9.692 1.00 0.00 N ATOM 0 H GLN A 107 -4.323 16.575 -6.134 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.400 15.664 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.104 16.240 -9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.605 17.680 -9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.307 17.736 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.841 16.423 -9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.678 19.686 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.529 20.193 -10.382 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.968 13.642 -8.520 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.269 12.355 -8.582 1.00 0.00 C ATOM 1622 C PRO A 108 -2.964 12.440 -9.367 1.00 0.00 C ATOM 1623 O PRO A 108 -2.862 13.192 -10.338 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.267 11.443 -9.300 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.109 12.367 -10.111 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.206 13.642 -9.318 1.00 0.00 C ATOM 0 HA PRO A 108 -3.982 12.000 -7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.756 10.716 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.870 10.879 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.660 12.548 -11.088 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.097 11.941 -10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.266 14.516 -9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.093 13.655 -8.684 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.972 11.667 -8.942 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.674 11.657 -9.606 1.00 0.00 C ATOM 1636 C CYS A 109 -0.745 10.900 -10.927 1.00 0.00 C ATOM 1637 O CYS A 109 -1.690 10.152 -11.175 1.00 0.00 O ATOM 1638 CB CYS A 109 0.382 11.023 -8.698 1.00 0.00 C ATOM 1639 SG CYS A 109 2.068 11.131 -9.340 1.00 0.00 S ATOM 0 H CYS A 109 -2.041 11.039 -8.141 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.392 12.689 -9.814 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.345 11.507 -7.722 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.130 9.974 -8.543 1.00 0.00 H new ATOM 0 HG CYS A 109 2.194 12.213 -10.050 1.00 0.00 H new ATOM 1645 N ARG A 110 0.261 11.101 -11.774 1.00 0.00 N ATOM 1646 CA ARG A 110 0.310 10.439 -13.072 1.00 0.00 C ATOM 1647 C ARG A 110 1.559 9.572 -13.193 1.00 0.00 C ATOM 1648 O ARG A 110 2.655 9.988 -12.817 1.00 0.00 O ATOM 1649 CB ARG A 110 0.285 11.475 -14.198 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.539 12.710 -13.870 1.00 0.00 C ATOM 1651 CD ARG A 110 -2.020 12.474 -14.121 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.717 13.704 -14.487 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.854 13.729 -15.172 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -4.421 12.595 -15.563 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -4.427 14.889 -15.467 1.00 0.00 N ATOM 0 H ARG A 110 1.052 11.716 -11.584 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.567 9.797 -13.158 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.307 11.780 -14.423 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.115 11.010 -15.099 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.385 12.985 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.195 13.549 -14.475 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.140 11.739 -14.917 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.476 12.052 -13.226 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.308 14.593 -14.200 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.983 11.702 -15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.295 12.617 -16.089 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.994 15.763 -15.167 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.301 14.907 -15.993 1.00 0.00 H new ATOM 1669 N GLN A 111 1.386 8.364 -13.719 1.00 0.00 N ATOM 1670 CA GLN A 111 2.499 7.437 -13.888 1.00 0.00 C ATOM 1671 C GLN A 111 3.719 8.151 -14.464 1.00 0.00 C ATOM 1672 O GLN A 111 3.604 9.235 -15.035 1.00 0.00 O ATOM 1673 CB GLN A 111 2.093 6.279 -14.800 1.00 0.00 C ATOM 1674 CG GLN A 111 1.437 5.124 -14.061 1.00 0.00 C ATOM 1675 CD GLN A 111 0.462 4.353 -14.930 1.00 0.00 C ATOM 1676 OE1 GLN A 111 0.707 3.200 -15.285 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.650 4.988 -15.277 1.00 0.00 N ATOM 0 H GLN A 111 0.486 8.004 -14.036 1.00 0.00 H new ATOM 0 HA GLN A 111 2.761 7.041 -12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 111 1.406 6.650 -15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 111 2.977 5.911 -15.321 1.00 0.00 H new ATOM 0 HG2 GLN A 111 2.209 4.445 -13.697 1.00 0.00 H new ATOM 0 HG3 GLN A 111 0.913 5.508 -13.186 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.812 5.944 -14.960 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.343 4.520 -15.861 1.00 0.00 H new ATOM 1686 N LYS A 112 4.885 7.534 -14.311 1.00 0.00 N ATOM 1687 CA LYS A 112 6.126 8.108 -14.817 1.00 0.00 C ATOM 1688 C LYS A 112 6.147 8.102 -16.342 1.00 0.00 C ATOM 1689 O LYS A 112 7.099 8.579 -16.961 1.00 0.00 O ATOM 1690 CB LYS A 112 7.330 7.331 -14.276 1.00 0.00 C ATOM 1691 CG LYS A 112 7.547 7.508 -12.783 1.00 0.00 C ATOM 1692 CD LYS A 112 8.109 8.882 -12.460 1.00 0.00 C ATOM 1693 CE LYS A 112 9.620 8.919 -12.632 1.00 0.00 C ATOM 1694 NZ LYS A 112 10.230 10.078 -11.924 1.00 0.00 N ATOM 0 H LYS A 112 4.997 6.636 -13.840 1.00 0.00 H new ATOM 0 HA LYS A 112 6.185 9.141 -14.475 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.195 6.271 -14.492 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.227 7.652 -14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.602 7.368 -12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.230 6.740 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.649 9.627 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.851 9.150 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.052 7.993 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.864 8.972 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.260 10.068 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.837 10.963 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.019 10.014 -10.908 1.00 0.00 H new