USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 639 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 162:sc= 0.00252 USER MOD Single : A 14 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.29) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 45 TYR OH : rot -111:sc= 1.25 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.0101 (180deg=-0.333) USER MOD Single : A 52 GLN : amide:sc= -0.0988 K(o=-0.099,f=-1.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.021) USER MOD Single : A 61 SER OG : rot 65:sc= 1.15 USER MOD Single : A 73 CYS SG : rot -50:sc= -0.203 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -127:sc= -0.328 (180deg=-2.13!) USER MOD Single : A 81 GLN : amide:sc= -4.48! C(o=-4.5!,f=-5.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 86 TYR OH : rot 70:sc= -0.571 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.028 -12.490 0.352 1.00 0.00 N ATOM 137 CA TRP A 13 -5.777 -11.353 -0.527 1.00 0.00 C ATOM 138 C TRP A 13 -4.319 -10.916 -0.449 1.00 0.00 C ATOM 139 O TRP A 13 -3.833 -10.527 0.614 1.00 0.00 O ATOM 140 CB TRP A 13 -6.693 -10.185 -0.157 1.00 0.00 C ATOM 141 CG TRP A 13 -6.470 -8.966 -0.999 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.401 -8.117 -0.944 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.336 -8.458 -2.019 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.551 -7.112 -1.869 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.729 -7.299 -2.542 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.564 -8.871 -2.544 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.311 -6.550 -3.562 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.140 -8.126 -3.556 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.513 -6.977 -4.057 1.00 0.00 C ATOM 0 HA TRP A 13 -5.989 -11.663 -1.550 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.731 -10.501 -0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.537 -9.928 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.562 -8.221 -0.272 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.892 -6.350 -2.029 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.054 -9.756 -2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.830 -5.663 -3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.090 -8.435 -3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.988 -6.418 -4.849 1.00 0.00 H new ATOM 160 N HIS A 14 -3.624 -10.982 -1.580 1.00 0.00 N ATOM 161 CA HIS A 14 -2.220 -10.591 -1.639 1.00 0.00 C ATOM 162 C HIS A 14 -1.978 -9.605 -2.778 1.00 0.00 C ATOM 163 O HIS A 14 -2.412 -9.828 -3.909 1.00 0.00 O ATOM 164 CB HIS A 14 -1.333 -11.824 -1.818 1.00 0.00 C ATOM 165 CG HIS A 14 -1.113 -12.200 -3.251 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.066 -12.839 -4.017 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.041 -12.022 -4.059 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.589 -13.039 -5.232 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.362 -12.552 -5.284 1.00 0.00 N ATOM 0 H HIS A 14 -4.010 -11.303 -2.468 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.964 -10.102 -0.699 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.368 -11.638 -1.347 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.786 -12.666 -1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.893 -11.551 -3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.113 -13.519 -6.045 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.248 -12.567 -6.102 1.00 0.00 H new ATOM 178 N LEU A 15 -1.283 -8.515 -2.472 1.00 0.00 N ATOM 179 CA LEU A 15 -0.983 -7.494 -3.470 1.00 0.00 C ATOM 180 C LEU A 15 0.521 -7.263 -3.578 1.00 0.00 C ATOM 181 O LEU A 15 1.273 -7.561 -2.650 1.00 0.00 O ATOM 182 CB LEU A 15 -1.688 -6.184 -3.115 1.00 0.00 C ATOM 183 CG LEU A 15 -2.033 -5.268 -4.290 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.028 -5.945 -5.220 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.587 -3.943 -3.788 1.00 0.00 C ATOM 0 H LEU A 15 -0.917 -8.315 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.348 -7.846 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.609 -6.423 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.055 -5.630 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.120 -5.069 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.262 -5.278 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.595 -6.868 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.941 -6.175 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.827 -3.304 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.489 -4.124 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.842 -3.451 -3.163 1.00 0.00 H new ATOM 197 N ALA A 16 0.952 -6.729 -4.716 1.00 0.00 N ATOM 198 CA ALA A 16 2.365 -6.454 -4.943 1.00 0.00 C ATOM 199 C ALA A 16 2.721 -5.029 -4.531 1.00 0.00 C ATOM 200 O ALA A 16 1.870 -4.140 -4.538 1.00 0.00 O ATOM 201 CB ALA A 16 2.720 -6.686 -6.405 1.00 0.00 C ATOM 0 H ALA A 16 0.343 -6.478 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 16 2.946 -7.139 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.778 -6.477 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.512 -7.723 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.124 -6.025 -7.034 1.00 0.00 H new ATOM 207 N VAL A 17 3.983 -4.820 -4.170 1.00 0.00 N ATOM 208 CA VAL A 17 4.451 -3.503 -3.754 1.00 0.00 C ATOM 209 C VAL A 17 5.789 -3.166 -4.402 1.00 0.00 C ATOM 210 O VAL A 17 6.771 -3.890 -4.241 1.00 0.00 O ATOM 211 CB VAL A 17 4.599 -3.418 -2.223 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.112 -2.046 -1.812 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.274 -3.727 -1.543 1.00 0.00 C ATOM 0 H VAL A 17 4.700 -5.546 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 17 3.701 -2.783 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 17 5.328 -4.163 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.210 -2.004 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.084 -1.868 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.409 -1.281 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.396 -3.663 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.522 -3.007 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.953 -4.733 -1.812 1.00 0.00 H new ATOM 223 N LYS A 18 5.821 -2.059 -5.138 1.00 0.00 N ATOM 224 CA LYS A 18 7.039 -1.622 -5.810 1.00 0.00 C ATOM 225 C LYS A 18 7.494 -0.265 -5.283 1.00 0.00 C ATOM 226 O LYS A 18 6.698 0.499 -4.736 1.00 0.00 O ATOM 227 CB LYS A 18 6.811 -1.544 -7.322 1.00 0.00 C ATOM 228 CG LYS A 18 7.122 -2.839 -8.051 1.00 0.00 C ATOM 229 CD LYS A 18 8.618 -3.100 -8.112 1.00 0.00 C ATOM 230 CE LYS A 18 9.294 -2.226 -9.157 1.00 0.00 C ATOM 231 NZ LYS A 18 9.142 -2.784 -10.529 1.00 0.00 N ATOM 0 H LYS A 18 5.017 -1.449 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 18 7.821 -2.353 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.773 -1.271 -7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.430 -0.747 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.627 -3.669 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.718 -2.794 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.062 -2.910 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.796 -4.150 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.867 -1.224 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.353 -2.129 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.616 -2.160 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.572 -3.730 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.132 -2.852 -10.766 1.00 0.00 H new ATOM 245 N LEU A 19 8.779 0.029 -5.452 1.00 0.00 N ATOM 246 CA LEU A 19 9.340 1.295 -4.995 1.00 0.00 C ATOM 247 C LEU A 19 9.619 2.224 -6.172 1.00 0.00 C ATOM 248 O LEU A 19 10.597 2.047 -6.897 1.00 0.00 O ATOM 249 CB LEU A 19 10.629 1.050 -4.208 1.00 0.00 C ATOM 250 CG LEU A 19 11.108 2.205 -3.328 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.096 2.497 -2.232 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.470 1.888 -2.728 1.00 0.00 C ATOM 0 H LEU A 19 9.451 -0.592 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 19 8.609 1.774 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.484 0.174 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.422 0.805 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 19 11.205 3.095 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.454 3.322 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.141 2.768 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.966 1.611 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.796 2.721 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.399 0.986 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.192 1.730 -3.529 1.00 0.00 H new ATOM 264 N ALA A 20 8.753 3.216 -6.354 1.00 0.00 N ATOM 265 CA ALA A 20 8.908 4.175 -7.440 1.00 0.00 C ATOM 266 C ALA A 20 10.259 4.879 -7.362 1.00 0.00 C ATOM 267 O ALA A 20 10.864 5.196 -8.386 1.00 0.00 O ATOM 268 CB ALA A 20 7.778 5.193 -7.411 1.00 0.00 C ATOM 0 H ALA A 20 7.937 3.376 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 20 8.866 3.629 -8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.907 5.903 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.823 4.680 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.793 5.727 -6.461 1.00 0.00 H new ATOM 274 N ASP A 21 10.724 5.122 -6.142 1.00 0.00 N ATOM 275 CA ASP A 21 12.004 5.789 -5.930 1.00 0.00 C ATOM 276 C ASP A 21 13.160 4.904 -6.386 1.00 0.00 C ATOM 277 O ASP A 21 14.205 5.400 -6.804 1.00 0.00 O ATOM 278 CB ASP A 21 12.175 6.153 -4.455 1.00 0.00 C ATOM 279 CG ASP A 21 11.015 6.970 -3.921 1.00 0.00 C ATOM 280 OD1 ASP A 21 10.570 7.900 -4.626 1.00 0.00 O ATOM 281 OD2 ASP A 21 10.551 6.678 -2.799 1.00 0.00 O ATOM 0 H ASP A 21 10.234 4.867 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 21 12.013 6.702 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.273 5.240 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.100 6.715 -4.328 1.00 0.00 H new ATOM 286 N GLN A 22 12.963 3.592 -6.302 1.00 0.00 N ATOM 287 CA GLN A 22 13.990 2.638 -6.704 1.00 0.00 C ATOM 288 C GLN A 22 13.396 1.530 -7.568 1.00 0.00 C ATOM 289 O GLN A 22 12.979 0.482 -7.075 1.00 0.00 O ATOM 290 CB GLN A 22 14.666 2.034 -5.472 1.00 0.00 C ATOM 291 CG GLN A 22 15.223 3.074 -4.513 1.00 0.00 C ATOM 292 CD GLN A 22 16.032 2.456 -3.389 1.00 0.00 C ATOM 293 OE1 GLN A 22 16.796 1.515 -3.604 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.868 2.985 -2.182 1.00 0.00 N ATOM 0 H GLN A 22 12.102 3.166 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 22 14.736 3.172 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.946 1.411 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.476 1.380 -5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.851 3.773 -5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.400 3.650 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.224 3.765 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.386 2.612 -1.387 1.00 0.00 H new ATOM 303 N PRO A 23 13.355 1.766 -8.888 1.00 0.00 N ATOM 304 CA PRO A 23 12.813 0.799 -9.848 1.00 0.00 C ATOM 305 C PRO A 23 13.702 -0.431 -9.995 1.00 0.00 C ATOM 306 O PRO A 23 13.326 -1.408 -10.645 1.00 0.00 O ATOM 307 CB PRO A 23 12.769 1.587 -11.159 1.00 0.00 C ATOM 308 CG PRO A 23 13.816 2.636 -11.005 1.00 0.00 C ATOM 309 CD PRO A 23 13.834 2.993 -9.545 1.00 0.00 C ATOM 0 HA PRO A 23 11.843 0.413 -9.535 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.975 0.944 -12.015 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.786 2.029 -11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.789 2.266 -11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.587 3.508 -11.617 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.835 3.264 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.186 3.843 -9.331 1.00 0.00 H new ATOM 317 N LEU A 24 14.883 -0.378 -9.389 1.00 0.00 N ATOM 318 CA LEU A 24 15.826 -1.489 -9.452 1.00 0.00 C ATOM 319 C LEU A 24 15.658 -2.416 -8.252 1.00 0.00 C ATOM 320 O LEU A 24 15.926 -3.614 -8.338 1.00 0.00 O ATOM 321 CB LEU A 24 17.262 -0.963 -9.507 1.00 0.00 C ATOM 322 CG LEU A 24 17.541 0.117 -10.554 1.00 0.00 C ATOM 323 CD1 LEU A 24 18.661 1.034 -10.088 1.00 0.00 C ATOM 324 CD2 LEU A 24 17.889 -0.516 -11.893 1.00 0.00 C ATOM 0 H LEU A 24 15.210 0.423 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 24 15.618 -2.057 -10.359 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.520 -0.565 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.929 -1.804 -9.695 1.00 0.00 H new ATOM 0 HG LEU A 24 16.639 0.715 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.846 1.796 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.373 1.514 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.568 0.450 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.084 0.267 -12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.777 -1.138 -11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.055 -1.131 -12.232 1.00 0.00 H new ATOM 336 N ALA A 25 15.211 -1.853 -7.135 1.00 0.00 N ATOM 337 CA ALA A 25 15.003 -2.629 -5.919 1.00 0.00 C ATOM 338 C ALA A 25 14.015 -3.767 -6.156 1.00 0.00 C ATOM 339 O ALA A 25 13.235 -3.755 -7.108 1.00 0.00 O ATOM 340 CB ALA A 25 14.512 -1.728 -4.795 1.00 0.00 C ATOM 0 H ALA A 25 14.986 -0.862 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 25 15.959 -3.066 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.361 -2.321 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.253 -0.953 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.570 -1.264 -5.086 1.00 0.00 H new ATOM 346 N PRO A 26 14.049 -4.775 -5.272 1.00 0.00 N ATOM 347 CA PRO A 26 13.164 -5.939 -5.365 1.00 0.00 C ATOM 348 C PRO A 26 11.712 -5.590 -5.058 1.00 0.00 C ATOM 349 O PRO A 26 11.406 -4.472 -4.641 1.00 0.00 O ATOM 350 CB PRO A 26 13.720 -6.893 -4.304 1.00 0.00 C ATOM 351 CG PRO A 26 14.404 -6.008 -3.320 1.00 0.00 C ATOM 352 CD PRO A 26 14.955 -4.855 -4.113 1.00 0.00 C ATOM 0 HA PRO A 26 13.149 -6.359 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.923 -7.468 -3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.415 -7.610 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.707 -5.660 -2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.201 -6.542 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.951 -3.931 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.985 -5.034 -4.420 1.00 0.00 H new ATOM 360 N LYS A 27 10.819 -6.551 -5.267 1.00 0.00 N ATOM 361 CA LYS A 27 9.399 -6.346 -5.011 1.00 0.00 C ATOM 362 C LYS A 27 9.011 -6.880 -3.636 1.00 0.00 C ATOM 363 O LYS A 27 9.671 -7.767 -3.095 1.00 0.00 O ATOM 364 CB LYS A 27 8.561 -7.034 -6.091 1.00 0.00 C ATOM 365 CG LYS A 27 7.160 -6.463 -6.231 1.00 0.00 C ATOM 366 CD LYS A 27 6.290 -7.331 -7.124 1.00 0.00 C ATOM 367 CE LYS A 27 5.761 -8.545 -6.376 1.00 0.00 C ATOM 368 NZ LYS A 27 5.447 -9.671 -7.298 1.00 0.00 N ATOM 0 H LYS A 27 11.054 -7.481 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 27 9.203 -5.274 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.076 -6.949 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.490 -8.097 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.701 -6.378 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.216 -5.456 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.454 -6.743 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.867 -7.658 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.500 -8.871 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.864 -8.268 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.089 -10.479 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.724 -9.369 -7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.309 -9.953 -7.808 1.00 0.00 H new ATOM 382 N SER A 28 7.936 -6.334 -3.076 1.00 0.00 N ATOM 383 CA SER A 28 7.462 -6.754 -1.762 1.00 0.00 C ATOM 384 C SER A 28 5.981 -7.117 -1.810 1.00 0.00 C ATOM 385 O SER A 28 5.198 -6.485 -2.519 1.00 0.00 O ATOM 386 CB SER A 28 7.693 -5.644 -0.735 1.00 0.00 C ATOM 387 OG SER A 28 7.456 -6.111 0.582 1.00 0.00 O ATOM 0 H SER A 28 7.377 -5.600 -3.511 1.00 0.00 H new ATOM 0 HA SER A 28 8.026 -7.638 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.716 -5.277 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.034 -4.802 -0.950 1.00 0.00 H new ATOM 0 HG SER A 28 7.612 -5.384 1.220 1.00 0.00 H new ATOM 393 N ILE A 29 5.604 -8.140 -1.050 1.00 0.00 N ATOM 394 CA ILE A 29 4.218 -8.588 -1.004 1.00 0.00 C ATOM 395 C ILE A 29 3.556 -8.193 0.311 1.00 0.00 C ATOM 396 O ILE A 29 4.129 -8.376 1.386 1.00 0.00 O ATOM 397 CB ILE A 29 4.113 -10.114 -1.182 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.837 -10.553 -2.456 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.654 -10.544 -1.220 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.312 -9.886 -3.709 1.00 0.00 C ATOM 0 H ILE A 29 6.240 -8.674 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 29 3.701 -8.099 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 29 4.592 -10.597 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.900 -10.333 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.744 -11.634 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.596 -11.625 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.167 -10.261 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.152 -10.054 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.871 -10.244 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.256 -10.127 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.430 -8.806 -3.623 1.00 0.00 H new ATOM 412 N LEU A 30 2.346 -7.653 0.220 1.00 0.00 N ATOM 413 CA LEU A 30 1.604 -7.234 1.403 1.00 0.00 C ATOM 414 C LEU A 30 0.283 -7.989 1.514 1.00 0.00 C ATOM 415 O LEU A 30 -0.352 -8.297 0.506 1.00 0.00 O ATOM 416 CB LEU A 30 1.341 -5.727 1.358 1.00 0.00 C ATOM 417 CG LEU A 30 0.618 -5.135 2.568 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.611 -4.786 3.665 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.185 -3.908 2.162 1.00 0.00 C ATOM 0 H LEU A 30 1.858 -7.495 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 30 2.208 -7.465 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.297 -5.215 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.754 -5.507 0.466 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.072 -5.884 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.078 -4.366 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.141 -5.686 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.327 -4.055 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.693 -3.500 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.485 -3.155 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.924 -4.189 1.411 1.00 0.00 H new ATOM 431 N GLN A 31 -0.124 -8.282 2.745 1.00 0.00 N ATOM 432 CA GLN A 31 -1.370 -9.000 2.986 1.00 0.00 C ATOM 433 C GLN A 31 -2.303 -8.186 3.876 1.00 0.00 C ATOM 434 O GLN A 31 -2.123 -8.126 5.093 1.00 0.00 O ATOM 435 CB GLN A 31 -1.085 -10.357 3.632 1.00 0.00 C ATOM 436 CG GLN A 31 -0.376 -11.334 2.708 1.00 0.00 C ATOM 437 CD GLN A 31 -0.281 -12.728 3.295 1.00 0.00 C ATOM 438 OE1 GLN A 31 -0.282 -12.902 4.514 1.00 0.00 O ATOM 439 NE2 GLN A 31 -0.198 -13.731 2.429 1.00 0.00 N ATOM 0 H GLN A 31 0.390 -8.034 3.590 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.860 -9.159 2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.476 -10.205 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.026 -10.798 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.907 -11.380 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.627 -10.964 2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.201 -13.541 1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.132 -14.691 2.766 1.00 0.00 H new ATOM 448 N LEU A 32 -3.302 -7.560 3.262 1.00 0.00 N ATOM 449 CA LEU A 32 -4.265 -6.749 3.998 1.00 0.00 C ATOM 450 C LEU A 32 -5.195 -7.627 4.828 1.00 0.00 C ATOM 451 O LEU A 32 -5.472 -8.777 4.487 1.00 0.00 O ATOM 452 CB LEU A 32 -5.083 -5.891 3.032 1.00 0.00 C ATOM 453 CG LEU A 32 -5.836 -6.646 1.936 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.202 -7.089 2.435 1.00 0.00 C ATOM 455 CD2 LEU A 32 -5.975 -5.781 0.692 1.00 0.00 C ATOM 0 H LEU A 32 -3.466 -7.599 2.256 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.712 -6.097 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.805 -5.316 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.413 -5.175 2.557 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.262 -7.535 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.723 -7.625 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.079 -7.746 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.784 -6.215 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.513 -6.334 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.526 -4.874 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.985 -5.514 0.322 1.00 0.00 H new ATOM 467 N PRO A 33 -5.692 -7.074 5.945 1.00 0.00 N ATOM 468 CA PRO A 33 -6.601 -7.789 6.846 1.00 0.00 C ATOM 469 C PRO A 33 -7.976 -8.009 6.226 1.00 0.00 C ATOM 470 O PRO A 33 -8.361 -7.315 5.286 1.00 0.00 O ATOM 471 CB PRO A 33 -6.703 -6.859 8.057 1.00 0.00 C ATOM 472 CG PRO A 33 -6.401 -5.503 7.521 1.00 0.00 C ATOM 473 CD PRO A 33 -5.404 -5.708 6.414 1.00 0.00 C ATOM 0 HA PRO A 33 -6.235 -8.787 7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.697 -6.896 8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.995 -7.144 8.835 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.305 -5.021 7.148 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.993 -4.858 8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.531 -4.975 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.379 -5.614 6.773 1.00 0.00 H new ATOM 598 N LEU A 42 -13.106 -6.764 -2.517 1.00 0.00 N ATOM 599 CA LEU A 42 -13.154 -5.789 -1.433 1.00 0.00 C ATOM 600 C LEU A 42 -14.015 -4.589 -1.818 1.00 0.00 C ATOM 601 O LEU A 42 -15.078 -4.365 -1.241 1.00 0.00 O ATOM 602 CB LEU A 42 -11.741 -5.324 -1.076 1.00 0.00 C ATOM 603 CG LEU A 42 -10.688 -6.423 -0.935 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.314 -5.819 -0.689 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.062 -7.378 0.189 1.00 0.00 C ATOM 0 HA LEU A 42 -13.602 -6.270 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.406 -4.624 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.788 -4.771 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.652 -6.987 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.578 -6.617 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.044 -5.177 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.334 -5.230 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.301 -8.154 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.127 -6.828 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.026 -7.837 -0.030 1.00 0.00 H new ATOM 617 N GLY A 43 -13.548 -3.823 -2.799 1.00 0.00 N ATOM 618 CA GLY A 43 -14.288 -2.657 -3.245 1.00 0.00 C ATOM 619 C GLY A 43 -14.880 -1.869 -2.093 1.00 0.00 C ATOM 620 O GLY A 43 -16.093 -1.681 -2.019 1.00 0.00 O ATOM 0 H GLY A 43 -12.671 -3.989 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.627 -2.010 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.088 -2.973 -3.914 1.00 0.00 H new ATOM 624 N GLY A 44 -14.019 -1.409 -1.189 1.00 0.00 N ATOM 625 CA GLY A 44 -14.483 -0.645 -0.046 1.00 0.00 C ATOM 626 C GLY A 44 -13.348 0.032 0.697 1.00 0.00 C ATOM 627 O GLY A 44 -13.527 1.107 1.271 1.00 0.00 O ATOM 0 H GLY A 44 -13.010 -1.552 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.195 0.109 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.017 -1.306 0.637 1.00 0.00 H new ATOM 631 N TYR A 45 -12.179 -0.598 0.688 1.00 0.00 N ATOM 632 CA TYR A 45 -11.012 -0.051 1.370 1.00 0.00 C ATOM 633 C TYR A 45 -10.629 1.307 0.792 1.00 0.00 C ATOM 634 O TYR A 45 -10.703 1.523 -0.418 1.00 0.00 O ATOM 635 CB TYR A 45 -9.831 -1.017 1.257 1.00 0.00 C ATOM 636 CG TYR A 45 -9.856 -2.127 2.284 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.494 -1.887 3.604 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.240 -3.415 1.934 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.514 -2.898 4.546 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.265 -4.432 2.869 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.901 -4.168 4.173 1.00 0.00 C ATOM 642 OH TYR A 45 -9.923 -5.179 5.107 1.00 0.00 O ATOM 0 H TYR A 45 -12.014 -1.487 0.216 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.266 0.081 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.826 -1.456 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.902 -0.456 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.192 -0.893 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.524 -3.625 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.228 -2.695 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.568 -5.428 2.581 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.218 -5.828 4.903 1.00 0.00 H new ATOM 652 N SER A 46 -10.219 2.221 1.666 1.00 0.00 N ATOM 653 CA SER A 46 -9.827 3.561 1.244 1.00 0.00 C ATOM 654 C SER A 46 -8.325 3.631 0.985 1.00 0.00 C ATOM 655 O SER A 46 -7.520 3.227 1.824 1.00 0.00 O ATOM 656 CB SER A 46 -10.222 4.589 2.307 1.00 0.00 C ATOM 657 OG SER A 46 -11.629 4.641 2.469 1.00 0.00 O ATOM 0 H SER A 46 -10.150 2.058 2.671 1.00 0.00 H new ATOM 0 HA SER A 46 -10.349 3.791 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.753 4.333 3.257 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.849 5.573 2.022 1.00 0.00 H new ATOM 0 HG SER A 46 -11.855 5.304 3.155 1.00 0.00 H new ATOM 663 N ILE A 47 -7.957 4.148 -0.182 1.00 0.00 N ATOM 664 CA ILE A 47 -6.552 4.273 -0.552 1.00 0.00 C ATOM 665 C ILE A 47 -5.687 4.574 0.667 1.00 0.00 C ATOM 666 O ILE A 47 -4.694 3.892 0.920 1.00 0.00 O ATOM 667 CB ILE A 47 -6.343 5.380 -1.602 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.128 5.060 -2.876 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.863 5.542 -1.913 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.549 3.910 -3.670 1.00 0.00 C ATOM 0 H ILE A 47 -8.611 4.487 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.252 3.316 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.714 6.321 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.158 4.824 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.158 5.948 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.731 6.328 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.327 5.810 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.468 4.604 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.156 3.740 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.529 4.151 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.544 3.010 -3.056 1.00 0.00 H new ATOM 682 N SER A 48 -6.073 5.599 1.421 1.00 0.00 N ATOM 683 CA SER A 48 -5.331 5.992 2.613 1.00 0.00 C ATOM 684 C SER A 48 -4.964 4.772 3.452 1.00 0.00 C ATOM 685 O SER A 48 -3.818 4.615 3.873 1.00 0.00 O ATOM 686 CB SER A 48 -6.155 6.972 3.451 1.00 0.00 C ATOM 687 OG SER A 48 -5.512 7.255 4.682 1.00 0.00 O ATOM 0 H SER A 48 -6.895 6.172 1.227 1.00 0.00 H new ATOM 0 HA SER A 48 -4.411 6.481 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.304 7.897 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.143 6.552 3.641 1.00 0.00 H new ATOM 0 HG SER A 48 -6.057 7.884 5.199 1.00 0.00 H new ATOM 693 N PHE A 49 -5.947 3.909 3.691 1.00 0.00 N ATOM 694 CA PHE A 49 -5.729 2.702 4.480 1.00 0.00 C ATOM 695 C PHE A 49 -4.479 1.964 4.012 1.00 0.00 C ATOM 696 O PHE A 49 -3.534 1.771 4.778 1.00 0.00 O ATOM 697 CB PHE A 49 -6.946 1.779 4.386 1.00 0.00 C ATOM 698 CG PHE A 49 -6.819 0.534 5.216 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.547 0.614 6.572 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.973 -0.717 4.640 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.429 -0.531 7.337 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.857 -1.865 5.400 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.585 -1.772 6.751 1.00 0.00 C ATOM 0 H PHE A 49 -6.901 4.023 3.350 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.586 2.998 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.833 2.328 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.099 1.498 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.426 1.582 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.186 -0.796 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.215 -0.455 8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.979 -2.834 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.495 -2.668 7.348 1.00 0.00 H new ATOM 713 N LEU A 50 -4.481 1.553 2.748 1.00 0.00 N ATOM 714 CA LEU A 50 -3.348 0.834 2.176 1.00 0.00 C ATOM 715 C LEU A 50 -2.047 1.597 2.406 1.00 0.00 C ATOM 716 O LEU A 50 -1.081 1.052 2.941 1.00 0.00 O ATOM 717 CB LEU A 50 -3.564 0.613 0.678 1.00 0.00 C ATOM 718 CG LEU A 50 -4.445 -0.577 0.296 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.687 -0.601 -1.206 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.810 -1.881 0.756 1.00 0.00 C ATOM 0 H LEU A 50 -5.254 1.705 2.100 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.274 -0.133 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.006 1.516 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.590 0.485 0.206 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.407 -0.468 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.316 -1.454 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.186 0.320 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.733 -0.686 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.451 -2.717 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.835 -1.997 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.689 -1.864 1.839 1.00 0.00 H new ATOM 732 N LYS A 51 -2.029 2.862 2.001 1.00 0.00 N ATOM 733 CA LYS A 51 -0.849 3.703 2.165 1.00 0.00 C ATOM 734 C LYS A 51 -0.237 3.516 3.550 1.00 0.00 C ATOM 735 O LYS A 51 0.951 3.764 3.751 1.00 0.00 O ATOM 736 CB LYS A 51 -1.211 5.174 1.950 1.00 0.00 C ATOM 737 CG LYS A 51 -1.853 5.451 0.602 1.00 0.00 C ATOM 738 CD LYS A 51 -2.158 6.929 0.423 1.00 0.00 C ATOM 739 CE LYS A 51 -0.978 7.672 -0.185 1.00 0.00 C ATOM 740 NZ LYS A 51 -0.935 9.096 0.249 1.00 0.00 N ATOM 0 H LYS A 51 -2.820 3.328 1.556 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.114 3.404 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.892 5.491 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.309 5.779 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.188 5.117 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.774 4.875 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.032 7.046 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.408 7.369 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.050 7.177 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.041 7.626 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.383 9.651 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.903 9.473 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.489 9.160 1.186 1.00 0.00 H new ATOM 754 N GLN A 52 -1.057 3.077 4.500 1.00 0.00 N ATOM 755 CA GLN A 52 -0.594 2.856 5.865 1.00 0.00 C ATOM 756 C GLN A 52 0.034 1.474 6.011 1.00 0.00 C ATOM 757 O GLN A 52 1.147 1.337 6.520 1.00 0.00 O ATOM 758 CB GLN A 52 -1.755 3.008 6.850 1.00 0.00 C ATOM 759 CG GLN A 52 -2.541 4.297 6.670 1.00 0.00 C ATOM 760 CD GLN A 52 -3.147 4.797 7.967 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.124 4.103 8.984 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.693 6.006 7.937 1.00 0.00 N ATOM 0 H GLN A 52 -2.044 2.868 4.350 1.00 0.00 H new ATOM 0 HA GLN A 52 0.165 3.605 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.431 2.161 6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.365 2.969 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.884 5.064 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.335 4.135 5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.689 6.546 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.116 6.395 8.779 1.00 0.00 H new ATOM 771 N LEU A 53 -0.686 0.452 5.561 1.00 0.00 N ATOM 772 CA LEU A 53 -0.199 -0.921 5.641 1.00 0.00 C ATOM 773 C LEU A 53 1.145 -1.064 4.934 1.00 0.00 C ATOM 774 O LEU A 53 2.106 -1.582 5.505 1.00 0.00 O ATOM 775 CB LEU A 53 -1.217 -1.881 5.025 1.00 0.00 C ATOM 776 CG LEU A 53 -2.516 -2.075 5.808 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.555 -1.050 5.382 1.00 0.00 C ATOM 778 CD2 LEU A 53 -3.048 -3.488 5.617 1.00 0.00 C ATOM 0 H LEU A 53 -1.609 0.548 5.137 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.064 -1.172 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.468 -1.521 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.741 -2.854 4.903 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.304 -1.928 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.472 -1.204 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.175 -0.046 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.764 -1.164 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.973 -3.608 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.243 -3.663 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.310 -4.206 5.974 1.00 0.00 H new ATOM 790 N ILE A 54 1.206 -0.600 3.690 1.00 0.00 N ATOM 791 CA ILE A 54 2.433 -0.674 2.907 1.00 0.00 C ATOM 792 C ILE A 54 3.572 0.066 3.600 1.00 0.00 C ATOM 793 O ILE A 54 4.691 -0.439 3.687 1.00 0.00 O ATOM 794 CB ILE A 54 2.236 -0.086 1.497 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.234 -0.928 0.705 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.568 -0.011 0.765 1.00 0.00 C ATOM 797 CD1 ILE A 54 -0.199 -0.469 0.863 1.00 0.00 C ATOM 0 H ILE A 54 0.420 -0.169 3.203 1.00 0.00 H new ATOM 0 HA ILE A 54 2.689 -1.730 2.819 1.00 0.00 H new ATOM 0 HB ILE A 54 1.838 0.924 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.502 -0.899 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.312 -1.967 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.413 0.406 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.254 0.626 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.992 -1.011 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.854 -1.111 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.485 -0.525 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.292 0.560 0.516 1.00 0.00 H new ATOM 809 N ALA A 55 3.279 1.264 4.093 1.00 0.00 N ATOM 810 CA ALA A 55 4.278 2.072 4.782 1.00 0.00 C ATOM 811 C ALA A 55 4.843 1.334 5.991 1.00 0.00 C ATOM 812 O ALA A 55 6.013 1.490 6.334 1.00 0.00 O ATOM 813 CB ALA A 55 3.677 3.404 5.208 1.00 0.00 C ATOM 0 H ALA A 55 2.358 1.697 4.028 1.00 0.00 H new ATOM 0 HA ALA A 55 5.098 2.260 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.434 3.997 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.328 3.944 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.838 3.226 5.881 1.00 0.00 H new ATOM 819 N GLY A 56 4.001 0.529 6.633 1.00 0.00 N ATOM 820 CA GLY A 56 4.435 -0.221 7.797 1.00 0.00 C ATOM 821 C GLY A 56 5.433 -1.308 7.448 1.00 0.00 C ATOM 822 O GLY A 56 6.158 -1.798 8.314 1.00 0.00 O ATOM 0 H GLY A 56 3.027 0.383 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.884 0.462 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.567 -0.670 8.280 1.00 0.00 H new ATOM 826 N LYS A 57 5.470 -1.688 6.176 1.00 0.00 N ATOM 827 CA LYS A 57 6.385 -2.724 5.712 1.00 0.00 C ATOM 828 C LYS A 57 7.622 -2.109 5.067 1.00 0.00 C ATOM 829 O LYS A 57 8.732 -2.625 5.210 1.00 0.00 O ATOM 830 CB LYS A 57 5.681 -3.647 4.714 1.00 0.00 C ATOM 831 CG LYS A 57 4.950 -4.806 5.369 1.00 0.00 C ATOM 832 CD LYS A 57 5.908 -5.725 6.107 1.00 0.00 C ATOM 833 CE LYS A 57 5.391 -7.155 6.144 1.00 0.00 C ATOM 834 NZ LYS A 57 5.832 -7.935 4.955 1.00 0.00 N ATOM 0 H LYS A 57 4.876 -1.293 5.447 1.00 0.00 H new ATOM 0 HA LYS A 57 6.700 -3.308 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.969 -3.063 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.418 -4.042 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.205 -4.420 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.412 -5.374 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.883 -5.702 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.051 -5.362 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.744 -7.645 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.302 -7.146 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.459 -8.904 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.474 -7.482 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.871 -7.965 4.925 1.00 0.00 H new ATOM 848 N LEU A 58 7.425 -1.003 4.357 1.00 0.00 N ATOM 849 CA LEU A 58 8.526 -0.316 3.690 1.00 0.00 C ATOM 850 C LEU A 58 9.395 0.428 4.700 1.00 0.00 C ATOM 851 O LEU A 58 10.356 1.101 4.328 1.00 0.00 O ATOM 852 CB LEU A 58 7.984 0.664 2.648 1.00 0.00 C ATOM 853 CG LEU A 58 7.077 0.066 1.572 1.00 0.00 C ATOM 854 CD1 LEU A 58 6.791 1.090 0.485 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.708 -1.185 0.977 1.00 0.00 C ATOM 0 H LEU A 58 6.514 -0.563 4.228 1.00 0.00 H new ATOM 0 HA LEU A 58 9.141 -1.065 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.431 1.446 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.830 1.145 2.156 1.00 0.00 H new ATOM 0 HG LEU A 58 6.131 -0.214 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.144 0.646 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.296 1.957 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.728 1.402 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.049 -1.597 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.668 -0.930 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.860 -1.925 1.763 1.00 0.00 H new ATOM 867 N GLN A 59 9.052 0.298 5.977 1.00 0.00 N ATOM 868 CA GLN A 59 9.803 0.956 7.040 1.00 0.00 C ATOM 869 C GLN A 59 11.281 1.058 6.679 1.00 0.00 C ATOM 870 O GLN A 59 11.946 2.036 7.020 1.00 0.00 O ATOM 871 CB GLN A 59 9.638 0.195 8.357 1.00 0.00 C ATOM 872 CG GLN A 59 9.372 -1.290 8.171 1.00 0.00 C ATOM 873 CD GLN A 59 9.847 -2.119 9.348 1.00 0.00 C ATOM 874 OE1 GLN A 59 9.077 -2.874 9.942 1.00 0.00 O ATOM 875 NE2 GLN A 59 11.122 -1.983 9.692 1.00 0.00 N ATOM 0 H GLN A 59 8.260 -0.256 6.301 1.00 0.00 H new ATOM 0 HA GLN A 59 9.407 1.964 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.540 0.322 8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.816 0.635 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.303 -1.449 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.870 -1.634 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.725 -1.346 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.498 -2.516 10.476 1.00 0.00 H new ATOM 884 N GLU A 60 11.788 0.042 5.989 1.00 0.00 N ATOM 885 CA GLU A 60 13.189 0.018 5.584 1.00 0.00 C ATOM 886 C GLU A 60 13.618 1.372 5.028 1.00 0.00 C ATOM 887 O GLU A 60 14.630 1.934 5.445 1.00 0.00 O ATOM 888 CB GLU A 60 13.421 -1.073 4.537 1.00 0.00 C ATOM 889 CG GLU A 60 12.380 -1.086 3.430 1.00 0.00 C ATOM 890 CD GLU A 60 12.753 -0.188 2.267 1.00 0.00 C ATOM 891 OE1 GLU A 60 13.868 0.374 2.287 1.00 0.00 O ATOM 892 OE2 GLU A 60 11.931 -0.047 1.338 1.00 0.00 O ATOM 0 H GLU A 60 11.251 -0.775 5.699 1.00 0.00 H new ATOM 0 HA GLU A 60 13.792 -0.200 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.408 -0.936 4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.425 -2.044 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.252 -2.107 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.420 -0.768 3.836 1.00 0.00 H new ATOM 899 N SER A 61 12.840 1.890 4.083 1.00 0.00 N ATOM 900 CA SER A 61 13.140 3.176 3.465 1.00 0.00 C ATOM 901 C SER A 61 12.059 4.202 3.791 1.00 0.00 C ATOM 902 O SER A 61 12.341 5.389 3.954 1.00 0.00 O ATOM 903 CB SER A 61 13.270 3.020 1.949 1.00 0.00 C ATOM 904 OG SER A 61 14.592 2.662 1.584 1.00 0.00 O ATOM 0 H SER A 61 11.997 1.439 3.729 1.00 0.00 H new ATOM 0 HA SER A 61 14.088 3.532 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.574 2.259 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.995 3.954 1.459 1.00 0.00 H new ATOM 0 HG SER A 61 14.799 1.772 1.937 1.00 0.00 H new ATOM 910 N VAL A 62 10.818 3.734 3.885 1.00 0.00 N ATOM 911 CA VAL A 62 9.692 4.609 4.192 1.00 0.00 C ATOM 912 C VAL A 62 9.621 4.908 5.686 1.00 0.00 C ATOM 913 O VAL A 62 9.342 4.033 6.506 1.00 0.00 O ATOM 914 CB VAL A 62 8.358 3.987 3.740 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.186 4.705 4.391 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.241 4.023 2.224 1.00 0.00 C ATOM 0 H VAL A 62 10.567 2.754 3.753 1.00 0.00 H new ATOM 0 HA VAL A 62 9.854 5.538 3.645 1.00 0.00 H new ATOM 0 HB VAL A 62 8.336 2.945 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.252 4.251 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.265 4.622 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.200 5.757 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.292 3.579 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.284 5.056 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.062 3.459 1.782 1.00 0.00 H new ATOM 926 N PRO A 63 9.878 6.173 6.049 1.00 0.00 N ATOM 927 CA PRO A 63 9.848 6.618 7.445 1.00 0.00 C ATOM 928 C PRO A 63 8.434 6.637 8.017 1.00 0.00 C ATOM 929 O PRO A 63 8.180 6.083 9.087 1.00 0.00 O ATOM 930 CB PRO A 63 10.417 8.037 7.378 1.00 0.00 C ATOM 931 CG PRO A 63 10.132 8.494 5.989 1.00 0.00 C ATOM 932 CD PRO A 63 10.217 7.268 5.124 1.00 0.00 C ATOM 0 HA PRO A 63 10.410 5.950 8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.945 8.688 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.487 8.045 7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.144 8.950 5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.853 9.247 5.670 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.520 7.317 4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.214 7.143 4.701 1.00 0.00 H new ATOM 940 N ASP A 64 7.519 7.278 7.298 1.00 0.00 N ATOM 941 CA ASP A 64 6.130 7.368 7.734 1.00 0.00 C ATOM 942 C ASP A 64 5.180 7.268 6.544 1.00 0.00 C ATOM 943 O ASP A 64 5.533 7.587 5.408 1.00 0.00 O ATOM 944 CB ASP A 64 5.893 8.680 8.483 1.00 0.00 C ATOM 945 CG ASP A 64 6.131 8.546 9.974 1.00 0.00 C ATOM 946 OD1 ASP A 64 6.962 7.701 10.369 1.00 0.00 O ATOM 947 OD2 ASP A 64 5.486 9.286 10.746 1.00 0.00 O ATOM 0 H ASP A 64 7.714 7.743 6.411 1.00 0.00 H new ATOM 0 HA ASP A 64 5.930 6.534 8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.552 9.449 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.870 9.014 8.310 1.00 0.00 H new ATOM 952 N PRO A 65 3.947 6.813 6.808 1.00 0.00 N ATOM 953 CA PRO A 65 2.921 6.660 5.773 1.00 0.00 C ATOM 954 C PRO A 65 2.420 8.002 5.250 1.00 0.00 C ATOM 955 O PRO A 65 1.884 8.086 4.145 1.00 0.00 O ATOM 956 CB PRO A 65 1.796 5.914 6.495 1.00 0.00 C ATOM 957 CG PRO A 65 1.977 6.257 7.933 1.00 0.00 C ATOM 958 CD PRO A 65 3.458 6.413 8.139 1.00 0.00 C ATOM 0 HA PRO A 65 3.303 6.138 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.817 6.228 6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.866 4.838 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.449 7.177 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.574 5.473 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.682 7.168 8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.918 5.483 8.473 1.00 0.00 H new ATOM 966 N GLU A 66 2.598 9.048 6.051 1.00 0.00 N ATOM 967 CA GLU A 66 2.163 10.385 5.667 1.00 0.00 C ATOM 968 C GLU A 66 3.233 11.088 4.836 1.00 0.00 C ATOM 969 O GLU A 66 2.933 11.983 4.045 1.00 0.00 O ATOM 970 CB GLU A 66 1.840 11.217 6.910 1.00 0.00 C ATOM 971 CG GLU A 66 0.877 10.533 7.867 1.00 0.00 C ATOM 972 CD GLU A 66 0.055 11.520 8.671 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.627 12.365 8.054 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.092 11.448 9.917 1.00 0.00 O ATOM 0 H GLU A 66 3.040 8.995 6.969 1.00 0.00 H new ATOM 0 HA GLU A 66 1.263 10.286 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.767 11.440 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.413 12.170 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.208 9.884 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.440 9.895 8.548 1.00 0.00 H new ATOM 981 N LEU A 67 4.482 10.677 5.022 1.00 0.00 N ATOM 982 CA LEU A 67 5.599 11.266 4.290 1.00 0.00 C ATOM 983 C LEU A 67 5.825 10.542 2.967 1.00 0.00 C ATOM 984 O LEU A 67 6.899 10.639 2.371 1.00 0.00 O ATOM 985 CB LEU A 67 6.872 11.216 5.136 1.00 0.00 C ATOM 986 CG LEU A 67 6.736 11.694 6.583 1.00 0.00 C ATOM 987 CD1 LEU A 67 8.060 11.556 7.317 1.00 0.00 C ATOM 988 CD2 LEU A 67 6.248 13.135 6.625 1.00 0.00 C ATOM 0 H LEU A 67 4.748 9.938 5.673 1.00 0.00 H new ATOM 0 HA LEU A 67 5.353 12.306 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.237 10.189 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.635 11.820 4.645 1.00 0.00 H new ATOM 0 HG LEU A 67 5.999 11.067 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.944 11.901 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.368 10.511 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.818 12.158 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.157 13.458 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.961 13.776 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.276 13.204 6.137 1.00 0.00 H new ATOM 1000 N ILE A 68 4.807 9.820 2.512 1.00 0.00 N ATOM 1001 CA ILE A 68 4.895 9.083 1.257 1.00 0.00 C ATOM 1002 C ILE A 68 3.564 9.105 0.512 1.00 0.00 C ATOM 1003 O ILE A 68 2.578 9.658 0.999 1.00 0.00 O ATOM 1004 CB ILE A 68 5.314 7.619 1.492 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.435 6.981 2.569 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.781 7.545 1.886 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.192 6.315 2.019 1.00 0.00 C ATOM 0 H ILE A 68 3.912 9.729 2.993 1.00 0.00 H new ATOM 0 HA ILE A 68 5.655 9.578 0.653 1.00 0.00 H new ATOM 0 HB ILE A 68 5.179 7.064 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.022 6.242 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.140 7.747 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.062 6.504 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.394 7.966 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.940 8.111 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.617 5.884 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.584 7.054 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.479 5.526 1.324 1.00 0.00 H new ATOM 1019 N ASP A 69 3.544 8.499 -0.669 1.00 0.00 N ATOM 1020 CA ASP A 69 2.334 8.447 -1.481 1.00 0.00 C ATOM 1021 C ASP A 69 2.173 7.075 -2.129 1.00 0.00 C ATOM 1022 O ASP A 69 2.960 6.162 -1.878 1.00 0.00 O ATOM 1023 CB ASP A 69 2.369 9.532 -2.558 1.00 0.00 C ATOM 1024 CG ASP A 69 2.233 10.927 -1.980 1.00 0.00 C ATOM 1025 OD1 ASP A 69 1.176 11.220 -1.382 1.00 0.00 O ATOM 1026 OD2 ASP A 69 3.182 11.725 -2.126 1.00 0.00 O ATOM 0 H ASP A 69 4.352 8.037 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 69 1.480 8.623 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.306 9.461 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.564 9.358 -3.272 1.00 0.00 H new ATOM 1031 N LEU A 70 1.147 6.937 -2.962 1.00 0.00 N ATOM 1032 CA LEU A 70 0.881 5.675 -3.645 1.00 0.00 C ATOM 1033 C LEU A 70 0.537 5.913 -5.112 1.00 0.00 C ATOM 1034 O LEU A 70 -0.317 6.740 -5.433 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.262 4.930 -2.955 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.431 3.459 -3.336 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.884 2.712 -3.179 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.519 2.811 -2.493 1.00 0.00 C ATOM 0 H LEU A 70 0.486 7.683 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 70 1.784 5.066 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.110 4.990 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.194 5.451 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.731 3.407 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.744 1.667 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.637 3.160 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.215 2.772 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.625 1.764 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.249 2.874 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.464 3.329 -2.657 1.00 0.00 H new ATOM 1050 N ILE A 71 1.205 5.181 -5.997 1.00 0.00 N ATOM 1051 CA ILE A 71 0.966 5.310 -7.429 1.00 0.00 C ATOM 1052 C ILE A 71 0.537 3.979 -8.037 1.00 0.00 C ATOM 1053 O ILE A 71 1.167 2.947 -7.806 1.00 0.00 O ATOM 1054 CB ILE A 71 2.221 5.817 -8.165 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.824 7.013 -7.426 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.878 6.192 -9.600 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.884 8.193 -7.317 1.00 0.00 C ATOM 0 H ILE A 71 1.916 4.493 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 71 0.164 6.038 -7.551 1.00 0.00 H new ATOM 0 HB ILE A 71 2.960 5.016 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.119 6.700 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.731 7.328 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.775 6.548 -10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.489 5.317 -10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.124 6.979 -9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.378 9.004 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.609 8.532 -8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.987 7.894 -6.775 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.538 4.011 -8.817 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.052 2.807 -9.459 1.00 0.00 C ATOM 1071 C TYR A 72 -1.574 3.116 -10.858 1.00 0.00 C ATOM 1072 O TYR A 72 -2.359 4.046 -11.049 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.166 2.189 -8.612 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.000 1.172 -9.358 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -3.979 1.573 -10.259 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.809 -0.191 -9.161 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.743 0.647 -10.942 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.569 -1.123 -9.841 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.535 -0.700 -10.730 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.294 -1.625 -11.409 1.00 0.00 O ATOM 0 H TYR A 72 -1.070 4.857 -9.020 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.232 2.094 -9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.724 1.712 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.817 2.983 -8.247 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.145 2.627 -10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.054 -0.527 -8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.500 0.976 -11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.407 -2.178 -9.677 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.021 -2.529 -11.146 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.134 2.329 -11.834 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.556 2.518 -13.217 1.00 0.00 C ATOM 1092 C CYS A 73 -0.970 3.802 -13.794 1.00 0.00 C ATOM 1093 O CYS A 73 -1.577 4.443 -14.651 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.082 2.554 -13.307 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.727 2.382 -14.987 1.00 0.00 S ATOM 0 H CYS A 73 -0.485 1.554 -11.693 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.185 1.676 -13.802 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.491 1.755 -12.689 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.438 3.495 -12.887 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.117 3.218 -15.774 1.00 0.00 H new ATOM 1101 N GLY A 74 0.214 4.173 -13.317 1.00 0.00 N ATOM 1102 CA GLY A 74 0.862 5.381 -13.795 1.00 0.00 C ATOM 1103 C GLY A 74 0.156 6.640 -13.331 1.00 0.00 C ATOM 1104 O GLY A 74 0.151 7.651 -14.033 1.00 0.00 O ATOM 0 H GLY A 74 0.736 3.659 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.895 5.398 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.893 5.366 -14.884 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.443 6.578 -12.146 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.158 7.721 -11.591 1.00 0.00 C ATOM 1110 C ARG A 75 -1.329 7.574 -10.082 1.00 0.00 C ATOM 1111 O ARG A 75 -1.528 6.471 -9.573 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.526 7.867 -12.259 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.557 6.867 -11.761 1.00 0.00 C ATOM 1114 CD ARG A 75 -4.932 7.147 -12.346 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.412 8.483 -12.001 1.00 0.00 N ATOM 1116 CZ ARG A 75 -5.106 9.575 -12.694 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -4.326 9.489 -13.763 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -5.581 10.755 -12.318 1.00 0.00 N ATOM 0 H ARG A 75 -0.447 5.749 -11.552 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.569 8.617 -11.787 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.899 8.877 -12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.409 7.750 -13.336 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.245 5.857 -12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.608 6.907 -10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.892 7.045 -13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.640 6.402 -11.982 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.015 8.583 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.959 8.583 -14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.093 10.329 -14.293 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.182 10.825 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.346 11.593 -12.850 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.251 8.694 -9.371 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.398 8.692 -7.921 1.00 0.00 C ATOM 1134 C LYS A 76 -2.843 8.410 -7.521 1.00 0.00 C ATOM 1135 O LYS A 76 -3.768 8.623 -8.306 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.950 10.035 -7.340 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.403 9.935 -5.927 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.656 11.209 -5.139 1.00 0.00 C ATOM 1139 CE LYS A 76 0.334 12.302 -5.514 1.00 0.00 C ATOM 1140 NZ LYS A 76 0.576 13.242 -4.385 1.00 0.00 N ATOM 0 H LYS A 76 -1.087 9.615 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.766 7.900 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.185 10.464 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.795 10.724 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.867 9.092 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.668 9.736 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.672 11.557 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.581 10.999 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.278 11.849 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.045 12.856 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.256 13.972 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.320 13.694 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.961 12.718 -3.574 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.030 7.932 -6.296 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.363 7.623 -5.791 1.00 0.00 C ATOM 1156 C LEU A 77 -4.698 8.481 -4.575 1.00 0.00 C ATOM 1157 O LEU A 77 -3.954 8.505 -3.594 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.460 6.140 -5.425 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.701 5.174 -6.335 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.564 3.812 -5.671 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.402 5.045 -7.679 1.00 0.00 C ATOM 0 H LEU A 77 -2.276 7.750 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.083 7.845 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.093 6.013 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.512 5.855 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.702 5.575 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.021 3.137 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.018 3.918 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.555 3.404 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.848 4.354 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.413 4.667 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.448 6.022 -8.161 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.823 9.183 -4.645 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.260 10.041 -3.550 1.00 0.00 C ATOM 1175 C LYS A 78 -6.823 9.211 -2.400 1.00 0.00 C ATOM 1176 O LYS A 78 -7.115 8.027 -2.562 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.317 11.033 -4.041 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.770 12.081 -4.995 1.00 0.00 C ATOM 1179 CD LYS A 78 -5.699 12.933 -4.333 1.00 0.00 C ATOM 1180 CE LYS A 78 -4.306 12.387 -4.604 1.00 0.00 C ATOM 1181 NZ LYS A 78 -3.701 12.989 -5.825 1.00 0.00 N ATOM 0 H LYS A 78 -6.450 9.175 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.393 10.593 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.116 10.483 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.761 11.533 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.354 11.591 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.583 12.720 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.768 13.957 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.874 12.969 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.665 12.586 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.357 11.304 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.383 12.233 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.409 13.577 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.888 13.579 -5.555 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.972 9.841 -1.240 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.503 9.161 -0.064 1.00 0.00 C ATOM 1197 C ASP A 79 -9.024 9.260 -0.019 1.00 0.00 C ATOM 1198 O ASP A 79 -9.634 9.119 1.041 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.902 9.758 1.210 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.055 11.265 1.272 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -6.995 11.911 0.205 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.235 11.797 2.387 1.00 0.00 O ATOM 0 H ASP A 79 -6.733 10.821 -1.089 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.228 8.108 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.384 9.311 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.844 9.501 1.264 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.630 9.505 -1.175 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.081 9.623 -1.268 1.00 0.00 C ATOM 1209 C ASP A 80 -11.648 8.596 -2.242 1.00 0.00 C ATOM 1210 O ASP A 80 -12.833 8.630 -2.574 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.472 11.034 -1.711 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.597 11.994 -0.544 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -10.932 11.763 0.489 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -12.359 12.976 -0.663 1.00 0.00 O ATOM 0 H ASP A 80 -9.139 9.626 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.500 9.431 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.726 11.412 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.420 10.994 -2.247 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.795 7.684 -2.697 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.212 6.648 -3.634 1.00 0.00 C ATOM 1221 C GLN A 81 -11.087 5.264 -3.007 1.00 0.00 C ATOM 1222 O GLN A 81 -10.493 5.105 -1.940 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.374 6.719 -4.912 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.306 8.112 -5.518 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.429 8.376 -6.501 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.249 8.256 -7.714 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -12.597 8.737 -5.983 1.00 0.00 N ATOM 0 H GLN A 81 -9.811 7.642 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.259 6.820 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.362 6.377 -4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.790 6.031 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.345 8.854 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.349 8.238 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.702 8.824 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.390 8.927 -6.596 1.00 0.00 H new ATOM 1236 N THR A 82 -11.651 4.263 -3.675 1.00 0.00 N ATOM 1237 CA THR A 82 -11.604 2.892 -3.183 1.00 0.00 C ATOM 1238 C THR A 82 -10.902 1.974 -4.177 1.00 0.00 C ATOM 1239 O THR A 82 -10.623 2.367 -5.310 1.00 0.00 O ATOM 1240 CB THR A 82 -13.018 2.346 -2.907 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.865 2.587 -4.035 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.616 2.995 -1.668 1.00 0.00 C ATOM 0 H THR A 82 -12.146 4.376 -4.559 1.00 0.00 H new ATOM 0 HA THR A 82 -11.041 2.910 -2.250 1.00 0.00 H new ATOM 0 HB THR A 82 -12.942 1.272 -2.734 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.761 2.235 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.614 2.594 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.984 2.784 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.679 4.073 -1.816 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.620 0.750 -3.747 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.950 -0.226 -4.600 1.00 0.00 C ATOM 1252 C LEU A 83 -10.728 -0.441 -5.895 1.00 0.00 C ATOM 1253 O LEU A 83 -10.143 -0.538 -6.973 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.790 -1.555 -3.861 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.705 -1.599 -2.785 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.367 -1.990 -3.392 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.599 -0.255 -2.079 1.00 0.00 C ATOM 0 H LEU A 83 -10.845 0.409 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.963 0.163 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.744 -1.807 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.577 -2.332 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.981 -2.353 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.607 -2.016 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.450 -2.975 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.084 -1.259 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.822 -0.305 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.346 0.518 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.553 -0.014 -1.610 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.049 -0.513 -5.780 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.908 -0.714 -6.941 1.00 0.00 C ATOM 1271 C ASP A 84 -12.995 0.559 -7.778 1.00 0.00 C ATOM 1272 O ASP A 84 -13.037 0.504 -9.008 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.307 -1.145 -6.499 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.186 -1.545 -7.668 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -14.733 -2.358 -8.501 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.327 -1.045 -7.750 1.00 0.00 O ATOM 0 H ASP A 84 -12.549 -0.435 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.471 -1.502 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.224 -1.983 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.781 -0.328 -5.955 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.024 1.704 -7.104 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.109 2.990 -7.786 1.00 0.00 C ATOM 1283 C PHE A 85 -12.028 3.110 -8.857 1.00 0.00 C ATOM 1284 O PHE A 85 -12.299 3.525 -9.984 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.974 4.134 -6.779 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.564 5.429 -7.261 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.932 6.169 -8.247 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.752 5.905 -6.729 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.472 7.361 -8.691 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -15.297 7.096 -7.170 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.657 7.825 -8.153 1.00 0.00 C ATOM 0 H PHE A 85 -12.990 1.767 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.084 3.053 -8.270 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.461 3.847 -5.847 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.919 4.286 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -12.007 5.810 -8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.258 5.339 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.968 7.930 -9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -16.223 7.456 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.082 8.755 -8.500 1.00 0.00 H new ATOM 1301 N TYR A 86 -10.803 2.745 -8.496 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.680 2.814 -9.424 1.00 0.00 C ATOM 1303 C TYR A 86 -9.615 1.563 -10.294 1.00 0.00 C ATOM 1304 O TYR A 86 -9.197 1.618 -11.450 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.368 2.985 -8.657 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.037 4.425 -8.335 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.879 5.365 -9.346 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -7.885 4.846 -7.020 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.576 6.681 -9.057 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.583 6.161 -6.721 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.430 7.074 -7.743 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.129 8.385 -7.450 1.00 0.00 O ATOM 0 H TYR A 86 -10.562 2.398 -7.567 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.829 3.677 -10.072 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.424 2.417 -7.728 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.555 2.557 -9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.995 5.061 -10.376 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.005 4.133 -6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.454 7.398 -9.855 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.468 6.472 -5.693 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.903 8.951 -7.651 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.032 0.434 -9.729 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.014 -0.815 -10.466 1.00 0.00 C ATOM 1324 C GLY A 87 -8.864 -1.714 -10.057 1.00 0.00 C ATOM 1325 O GLY A 87 -8.459 -2.598 -10.812 1.00 0.00 O ATOM 0 H GLY A 87 -10.382 0.363 -8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.956 -1.340 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.943 -0.603 -11.533 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.335 -1.486 -8.859 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.224 -2.281 -8.352 1.00 0.00 C ATOM 1331 C ILE A 88 -7.646 -3.727 -8.115 1.00 0.00 C ATOM 1332 O ILE A 88 -8.790 -3.998 -7.749 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.668 -1.699 -7.039 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.182 -0.264 -7.257 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.540 -2.571 -6.508 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.169 0.568 -5.994 1.00 0.00 C ATOM 0 H ILE A 88 -8.658 -0.758 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.443 -2.252 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.468 -1.683 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.176 -0.289 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.822 0.220 -7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.158 -2.146 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.916 -3.577 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.737 -2.616 -7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.814 1.573 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.178 0.624 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.506 0.107 -5.262 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.715 -4.652 -8.324 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.990 -6.071 -8.132 1.00 0.00 C ATOM 1350 C GLN A 89 -5.905 -6.726 -7.284 1.00 0.00 C ATOM 1351 O GLN A 89 -4.803 -6.201 -7.128 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.096 -6.779 -9.483 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.508 -6.811 -10.045 1.00 0.00 C ATOM 1354 CD GLN A 89 -8.534 -6.799 -11.561 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -8.182 -7.787 -12.207 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -8.952 -5.678 -12.138 1.00 0.00 N ATOM 0 H GLN A 89 -5.763 -4.444 -8.626 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.941 -6.163 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.441 -6.280 -10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.733 -7.801 -9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.018 -7.704 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.064 -5.952 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.234 -4.884 -11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.991 -5.612 -13.155 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.222 -7.902 -6.722 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.288 -8.655 -5.881 1.00 0.00 C ATOM 1367 C PRO A 90 -4.128 -9.239 -6.681 1.00 0.00 C ATOM 1368 O PRO A 90 -3.284 -9.951 -6.140 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.155 -9.775 -5.301 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.256 -9.952 -6.289 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.518 -8.588 -6.865 1.00 0.00 C ATOM 0 HA PRO A 90 -4.822 -8.024 -5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.583 -10.694 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.544 -9.506 -4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.970 -10.657 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.150 -10.352 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.829 -8.645 -7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.309 -8.069 -6.324 1.00 0.00 H new ATOM 1379 N GLY A 91 -4.094 -8.932 -7.974 1.00 0.00 N ATOM 1380 CA GLY A 91 -3.034 -9.434 -8.828 1.00 0.00 C ATOM 1381 C GLY A 91 -2.304 -8.326 -9.560 1.00 0.00 C ATOM 1382 O GLY A 91 -1.654 -8.567 -10.577 1.00 0.00 O ATOM 0 H GLY A 91 -4.782 -8.344 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.322 -9.997 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.456 -10.129 -9.555 1.00 0.00 H new ATOM 1386 N SER A 92 -2.412 -7.106 -9.042 1.00 0.00 N ATOM 1387 CA SER A 92 -1.761 -5.955 -9.657 1.00 0.00 C ATOM 1388 C SER A 92 -0.560 -5.505 -8.831 1.00 0.00 C ATOM 1389 O SER A 92 -0.204 -6.136 -7.835 1.00 0.00 O ATOM 1390 CB SER A 92 -2.754 -4.800 -9.804 1.00 0.00 C ATOM 1391 OG SER A 92 -2.447 -4.005 -10.936 1.00 0.00 O ATOM 0 H SER A 92 -2.944 -6.890 -8.199 1.00 0.00 H new ATOM 0 HA SER A 92 -1.410 -6.252 -10.645 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.765 -5.195 -9.897 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.734 -4.183 -8.906 1.00 0.00 H new ATOM 0 HG SER A 92 -3.229 -3.467 -11.180 1.00 0.00 H new ATOM 1397 N THR A 93 0.064 -4.409 -9.253 1.00 0.00 N ATOM 1398 CA THR A 93 1.226 -3.874 -8.555 1.00 0.00 C ATOM 1399 C THR A 93 1.119 -2.363 -8.387 1.00 0.00 C ATOM 1400 O THR A 93 0.775 -1.646 -9.327 1.00 0.00 O ATOM 1401 CB THR A 93 2.532 -4.205 -9.303 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.531 -5.579 -9.706 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.743 -3.930 -8.424 1.00 0.00 C ATOM 0 H THR A 93 -0.217 -3.875 -10.075 1.00 0.00 H new ATOM 0 HA THR A 93 1.249 -4.345 -7.572 1.00 0.00 H new ATOM 0 HB THR A 93 2.591 -3.568 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.364 -5.781 -10.182 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.653 -4.171 -8.973 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.757 -2.877 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.688 -4.545 -7.526 1.00 0.00 H new ATOM 1411 N VAL A 94 1.417 -1.884 -7.183 1.00 0.00 N ATOM 1412 CA VAL A 94 1.356 -0.456 -6.892 1.00 0.00 C ATOM 1413 C VAL A 94 2.745 0.108 -6.613 1.00 0.00 C ATOM 1414 O VAL A 94 3.512 -0.460 -5.835 1.00 0.00 O ATOM 1415 CB VAL A 94 0.445 -0.168 -5.685 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.906 -0.844 -5.861 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.112 -0.621 -4.394 1.00 0.00 C ATOM 0 H VAL A 94 1.703 -2.464 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 94 0.941 0.030 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 94 0.281 0.908 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.536 -0.629 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.387 -0.467 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.765 -1.921 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.454 -0.410 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.308 -1.692 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.053 -0.086 -4.263 1.00 0.00 H new ATOM 1427 N HIS A 95 3.062 1.229 -7.253 1.00 0.00 N ATOM 1428 CA HIS A 95 4.359 1.871 -7.073 1.00 0.00 C ATOM 1429 C HIS A 95 4.293 2.933 -5.980 1.00 0.00 C ATOM 1430 O HIS A 95 3.519 3.886 -6.073 1.00 0.00 O ATOM 1431 CB HIS A 95 4.827 2.501 -8.385 1.00 0.00 C ATOM 1432 CG HIS A 95 5.066 1.505 -9.477 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.262 0.836 -9.636 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.255 1.062 -10.466 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.176 0.027 -10.677 1.00 0.00 C ATOM 1436 NE2 HIS A 95 4.968 0.145 -11.198 1.00 0.00 N ATOM 0 H HIS A 95 2.439 1.711 -7.901 1.00 0.00 H new ATOM 0 HA HIS A 95 5.075 1.107 -6.770 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.080 3.221 -8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.747 3.056 -8.204 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.236 1.372 -10.646 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.960 -0.621 -11.040 1.00 0.00 H new ATOM 0 HE2 HIS A 95 4.621 -0.363 -12.012 1.00 0.00 H new ATOM 1445 N VAL A 96 5.107 2.761 -4.944 1.00 0.00 N ATOM 1446 CA VAL A 96 5.141 3.705 -3.833 1.00 0.00 C ATOM 1447 C VAL A 96 6.055 4.886 -4.142 1.00 0.00 C ATOM 1448 O VAL A 96 7.192 4.706 -4.582 1.00 0.00 O ATOM 1449 CB VAL A 96 5.618 3.027 -2.535 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.035 4.070 -1.509 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.529 2.124 -1.976 1.00 0.00 C ATOM 0 H VAL A 96 5.752 1.976 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 96 4.122 4.065 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 96 6.487 2.411 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.369 3.572 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.849 4.672 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.186 4.714 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.882 1.653 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.640 2.717 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.283 1.355 -2.708 1.00 0.00 H new ATOM 1461 N LEU A 97 5.552 6.093 -3.909 1.00 0.00 N ATOM 1462 CA LEU A 97 6.324 7.305 -4.162 1.00 0.00 C ATOM 1463 C LEU A 97 6.462 8.137 -2.892 1.00 0.00 C ATOM 1464 O LEU A 97 5.469 8.601 -2.330 1.00 0.00 O ATOM 1465 CB LEU A 97 5.659 8.136 -5.261 1.00 0.00 C ATOM 1466 CG LEU A 97 6.597 8.986 -6.119 1.00 0.00 C ATOM 1467 CD1 LEU A 97 5.876 10.224 -6.631 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.836 9.378 -5.328 1.00 0.00 C ATOM 0 H LEU A 97 4.614 6.259 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 97 7.321 7.010 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.110 7.461 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.926 8.796 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 97 6.911 8.392 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.559 10.817 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.020 9.923 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.532 10.820 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.492 9.982 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.541 9.954 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.365 8.479 -5.011 1.00 0.00 H new ATOM 1480 N ARG A 98 7.700 8.325 -2.445 1.00 0.00 N ATOM 1481 CA ARG A 98 7.968 9.103 -1.241 1.00 0.00 C ATOM 1482 C ARG A 98 8.140 10.582 -1.577 1.00 0.00 C ATOM 1483 O ARG A 98 8.781 10.934 -2.567 1.00 0.00 O ATOM 1484 CB ARG A 98 9.221 8.579 -0.539 1.00 0.00 C ATOM 1485 CG ARG A 98 10.513 9.176 -1.072 1.00 0.00 C ATOM 1486 CD ARG A 98 11.701 8.808 -0.196 1.00 0.00 C ATOM 1487 NE ARG A 98 12.953 8.797 -0.948 1.00 0.00 N ATOM 1488 CZ ARG A 98 14.124 8.459 -0.420 1.00 0.00 C ATOM 1489 NH1 ARG A 98 14.202 8.105 0.856 1.00 0.00 N ATOM 1490 NH2 ARG A 98 15.219 8.473 -1.168 1.00 0.00 N ATOM 0 H ARG A 98 8.533 7.949 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 98 7.114 8.997 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.145 8.792 0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.260 7.495 -0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.686 8.823 -2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.420 10.261 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.779 9.519 0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.535 7.826 0.246 1.00 0.00 H new ATOM 0 HE ARG A 98 12.927 9.063 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.362 8.092 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.102 7.846 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.162 8.744 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.118 8.213 -0.761 1.00 0.00 H new