USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 35 GLN : amide:sc= -0.911 X(o=-1.4,f=-1.7!) USER MOD Set 1.2: A 37 TYR OH : rot 15:sc= -1.43 USER MOD Set 1.3: A 50 CYS SG : rot 25:sc= 0.976 USER MOD Single : A 10 LYS NZ :NH3+ -122:sc= -1.41! (180deg=-2.99!) USER MOD Single : A 11 MET CE :methyl -150:sc= -3.04 (180deg=-5.56!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0884 (180deg=-0.89) USER MOD Single : A 17 GLN : amide:sc= -3.32! C(o=-3.3!,f=-2.6!) USER MOD Single : A 23 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.5) USER MOD Single : A 25 GLN : amide:sc= -1.01 K(o=-1,f=-4.5!) USER MOD Single : A 26 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -178:sc= -0.336 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.9) USER MOD Single : A 51 MET CE :methyl -173:sc= -1.21 (180deg=-1.3) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 110:sc= -2.8! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -27:sc= 0.155 USER MOD Single : A 90 TYR OH : rot -120:sc= 0.0127 USER MOD Single : A 93 MET CE :methyl -169:sc= -7.95! (180deg=-8.67!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00021 USER MOD Single : A 97 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.4) USER MOD Single : A 100 MET CE :methyl -151:sc= -0.752 (180deg=-2.79!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.405 8.462 8.992 1.00 0.00 N ATOM 81 CA ILE A 9 -7.753 7.922 8.943 1.00 0.00 C ATOM 82 C ILE A 9 -7.706 6.418 9.217 1.00 0.00 C ATOM 83 O ILE A 9 -8.503 5.901 9.999 1.00 0.00 O ATOM 84 CB ILE A 9 -8.426 8.285 7.618 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.839 9.758 7.597 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.607 7.355 7.330 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.587 10.379 6.222 1.00 0.00 C ATOM 0 HA ILE A 9 -8.371 8.368 9.722 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.701 8.143 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.895 9.847 7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.281 10.307 8.356 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.068 7.635 6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.254 6.326 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.342 7.442 8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.889 11.426 6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.526 10.310 5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.166 9.844 5.469 1.00 0.00 H new ATOM 99 N LYS A 10 -6.764 5.758 8.560 1.00 0.00 N ATOM 100 CA LYS A 10 -6.603 4.323 8.723 1.00 0.00 C ATOM 101 C LYS A 10 -5.117 3.996 8.880 1.00 0.00 C ATOM 102 O LYS A 10 -4.305 4.359 8.031 1.00 0.00 O ATOM 103 CB LYS A 10 -7.280 3.573 7.574 1.00 0.00 C ATOM 104 CG LYS A 10 -6.906 2.090 7.592 1.00 0.00 C ATOM 105 CD LYS A 10 -8.157 1.209 7.554 1.00 0.00 C ATOM 106 CE LYS A 10 -7.798 -0.262 7.772 1.00 0.00 C ATOM 107 NZ LYS A 10 -8.463 -0.783 8.987 1.00 0.00 N ATOM 0 H LYS A 10 -6.104 6.190 7.913 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.102 3.985 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.362 3.680 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.984 4.015 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.270 1.861 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.327 1.868 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.858 1.534 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.660 1.326 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.101 -0.849 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.717 -0.368 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.745 -1.142 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.002 -0.019 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.109 -1.554 8.725 1.00 0.00 H new ATOM 121 N MET A 11 -4.806 3.312 9.972 1.00 0.00 N ATOM 122 CA MET A 11 -3.432 2.932 10.251 1.00 0.00 C ATOM 123 C MET A 11 -3.317 1.424 10.484 1.00 0.00 C ATOM 124 O MET A 11 -3.983 0.875 11.360 1.00 0.00 O ATOM 125 CB MET A 11 -2.937 3.679 11.491 1.00 0.00 C ATOM 126 CG MET A 11 -3.425 5.129 11.489 1.00 0.00 C ATOM 127 SD MET A 11 -4.637 5.368 12.778 1.00 0.00 S ATOM 128 CE MET A 11 -6.114 5.527 11.789 1.00 0.00 C ATOM 0 H MET A 11 -5.482 3.011 10.674 1.00 0.00 H new ATOM 0 HA MET A 11 -2.820 3.196 9.389 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.291 3.174 12.390 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.848 3.658 11.522 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.583 5.805 11.640 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.860 5.374 10.520 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.826 6.174 12.300 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.859 5.960 10.822 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.560 4.544 11.640 1.00 0.00 H new ATOM 138 N GLY A 12 -2.467 0.797 9.684 1.00 0.00 N ATOM 139 CA GLY A 12 -2.256 -0.636 9.792 1.00 0.00 C ATOM 140 C GLY A 12 -0.975 -1.058 9.070 1.00 0.00 C ATOM 141 O GLY A 12 -0.265 -0.219 8.516 1.00 0.00 O ATOM 0 H GLY A 12 -1.916 1.256 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.196 -0.920 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.109 -1.166 9.367 1.00 0.00 H new ATOM 145 N TRP A 13 -0.718 -2.357 9.099 1.00 0.00 N ATOM 146 CA TRP A 13 0.466 -2.900 8.454 1.00 0.00 C ATOM 147 C TRP A 13 0.018 -3.646 7.196 1.00 0.00 C ATOM 148 O TRP A 13 -0.948 -4.407 7.231 1.00 0.00 O ATOM 149 CB TRP A 13 1.261 -3.781 9.420 1.00 0.00 C ATOM 150 CG TRP A 13 2.153 -2.998 10.386 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.783 -2.079 11.289 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.587 -3.102 10.509 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.869 -1.586 11.983 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.001 -2.228 11.493 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.504 -3.908 9.812 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.341 -2.076 11.869 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.839 -3.745 10.199 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.272 -2.869 11.188 1.00 0.00 C ATOM 0 H TRP A 13 -1.309 -3.050 9.559 1.00 0.00 H new ATOM 0 HA TRP A 13 1.147 -2.101 8.161 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.565 -4.390 9.997 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.882 -4.467 8.843 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.763 -1.764 11.453 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.846 -0.881 12.720 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.202 -4.599 9.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.640 -1.384 12.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.585 -4.341 9.694 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.322 -2.801 11.430 1.00 0.00 H new ATOM 169 N LEU A 14 0.742 -3.402 6.113 1.00 0.00 N ATOM 170 CA LEU A 14 0.432 -4.042 4.846 1.00 0.00 C ATOM 171 C LEU A 14 1.721 -4.577 4.220 1.00 0.00 C ATOM 172 O LEU A 14 2.818 -4.232 4.658 1.00 0.00 O ATOM 173 CB LEU A 14 -0.342 -3.084 3.937 1.00 0.00 C ATOM 174 CG LEU A 14 -1.840 -2.954 4.220 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.397 -1.654 3.636 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.601 -4.181 3.715 1.00 0.00 C ATOM 0 H LEU A 14 1.542 -2.770 6.087 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.225 -4.897 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.110 -2.095 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.214 -3.411 2.905 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.982 -2.909 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.463 -1.586 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.882 -0.804 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.243 -1.645 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.663 -4.063 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.456 -4.282 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.227 -5.073 4.217 1.00 0.00 H new ATOM 188 N LYS A 15 1.547 -5.410 3.204 1.00 0.00 N ATOM 189 CA LYS A 15 2.683 -5.996 2.514 1.00 0.00 C ATOM 190 C LYS A 15 2.869 -5.299 1.164 1.00 0.00 C ATOM 191 O LYS A 15 2.010 -5.393 0.290 1.00 0.00 O ATOM 192 CB LYS A 15 2.520 -7.513 2.405 1.00 0.00 C ATOM 193 CG LYS A 15 3.481 -8.237 3.350 1.00 0.00 C ATOM 194 CD LYS A 15 3.522 -9.737 3.048 1.00 0.00 C ATOM 195 CE LYS A 15 2.920 -10.544 4.200 1.00 0.00 C ATOM 196 NZ LYS A 15 3.611 -11.846 4.336 1.00 0.00 N ATOM 0 H LYS A 15 0.636 -5.693 2.842 1.00 0.00 H new ATOM 0 HA LYS A 15 3.598 -5.837 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.493 -7.790 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.706 -7.830 1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.481 -7.815 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.169 -8.079 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.972 -9.942 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.552 -10.050 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.005 -9.981 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.857 -10.706 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.191 -12.382 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.508 -12.387 3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.620 -11.685 4.528 1.00 0.00 H new ATOM 210 N LYS A 16 3.997 -4.615 1.038 1.00 0.00 N ATOM 211 CA LYS A 16 4.306 -3.903 -0.190 1.00 0.00 C ATOM 212 C LYS A 16 5.368 -4.680 -0.972 1.00 0.00 C ATOM 213 O LYS A 16 6.456 -4.937 -0.459 1.00 0.00 O ATOM 214 CB LYS A 16 4.702 -2.457 0.115 1.00 0.00 C ATOM 215 CG LYS A 16 5.379 -1.807 -1.094 1.00 0.00 C ATOM 216 CD LYS A 16 6.019 -0.471 -0.712 1.00 0.00 C ATOM 217 CE LYS A 16 6.138 0.448 -1.929 1.00 0.00 C ATOM 218 NZ LYS A 16 6.401 -0.343 -3.152 1.00 0.00 N ATOM 0 H LYS A 16 4.708 -4.539 1.766 1.00 0.00 H new ATOM 0 HA LYS A 16 3.423 -3.840 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.817 -1.884 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.377 -2.434 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.140 -2.478 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.646 -1.650 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.421 0.016 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.007 -0.646 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.219 1.021 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.943 1.166 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.839 0.266 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.044 -1.129 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.505 -0.723 -3.519 1.00 0.00 H new ATOM 232 N GLN A 17 5.014 -5.031 -2.199 1.00 0.00 N ATOM 233 CA GLN A 17 5.922 -5.773 -3.056 1.00 0.00 C ATOM 234 C GLN A 17 7.265 -5.047 -3.161 1.00 0.00 C ATOM 235 O GLN A 17 7.305 -3.828 -3.319 1.00 0.00 O ATOM 236 CB GLN A 17 5.310 -5.997 -4.440 1.00 0.00 C ATOM 237 CG GLN A 17 6.025 -7.131 -5.179 1.00 0.00 C ATOM 238 CD GLN A 17 5.186 -8.410 -5.164 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.186 -9.172 -4.212 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.472 -8.601 -6.270 1.00 0.00 N ATOM 0 H GLN A 17 4.110 -4.815 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 17 6.094 -6.752 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.251 -6.235 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.376 -5.079 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.221 -6.832 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.992 -7.321 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.518 -7.923 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.878 -9.426 -6.358 1.00 0.00 H new ATOM 341 N ASN A 23 8.879 -10.164 -4.199 1.00 0.00 N ATOM 342 CA ASN A 23 8.696 -10.492 -2.796 1.00 0.00 C ATOM 343 C ASN A 23 7.751 -9.473 -2.157 1.00 0.00 C ATOM 344 O ASN A 23 7.404 -8.468 -2.777 1.00 0.00 O ATOM 345 CB ASN A 23 10.026 -10.442 -2.040 1.00 0.00 C ATOM 346 CG ASN A 23 9.915 -11.150 -0.689 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.782 -12.360 -0.602 1.00 0.00 O ATOM 348 ND2 ASN A 23 9.977 -10.332 0.358 1.00 0.00 N ATOM 0 HA ASN A 23 8.285 -11.500 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.806 -10.912 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.323 -9.404 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.912 -10.708 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.089 -9.328 0.215 1.00 0.00 H new ATOM 355 N TRP A 24 7.359 -9.767 -0.926 1.00 0.00 N ATOM 356 CA TRP A 24 6.461 -8.889 -0.196 1.00 0.00 C ATOM 357 C TRP A 24 7.164 -8.456 1.092 1.00 0.00 C ATOM 358 O TRP A 24 7.739 -9.284 1.797 1.00 0.00 O ATOM 359 CB TRP A 24 5.115 -9.570 0.058 1.00 0.00 C ATOM 360 CG TRP A 24 4.377 -9.987 -1.216 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.515 -11.121 -1.916 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.375 -9.222 -1.919 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.679 -11.143 -3.014 1.00 0.00 N ATOM 364 CE2 TRP A 24 2.963 -9.951 -3.015 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.834 -7.955 -1.636 1.00 0.00 C ATOM 366 CZ2 TRP A 24 1.993 -9.498 -3.917 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.866 -7.516 -2.547 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.440 -8.239 -3.656 1.00 0.00 C ATOM 0 H TRP A 24 7.647 -10.602 -0.416 1.00 0.00 H new ATOM 0 HA TRP A 24 6.231 -7.999 -0.783 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.277 -10.453 0.677 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.479 -8.893 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.195 -11.918 -1.654 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.601 -11.895 -3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.141 -7.367 -0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.688 -10.088 -4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.419 -6.548 -2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.686 -7.831 -4.313 1.00 0.00 H new ATOM 379 N GLN A 25 7.097 -7.160 1.358 1.00 0.00 N ATOM 380 CA GLN A 25 7.720 -6.608 2.549 1.00 0.00 C ATOM 381 C GLN A 25 6.660 -6.000 3.470 1.00 0.00 C ATOM 382 O GLN A 25 5.977 -5.049 3.093 1.00 0.00 O ATOM 383 CB GLN A 25 8.785 -5.573 2.180 1.00 0.00 C ATOM 384 CG GLN A 25 10.175 -6.210 2.131 1.00 0.00 C ATOM 385 CD GLN A 25 10.693 -6.507 3.540 1.00 0.00 C ATOM 386 OE1 GLN A 25 9.945 -6.823 4.450 1.00 0.00 O ATOM 387 NE2 GLN A 25 12.011 -6.387 3.668 1.00 0.00 N ATOM 0 H GLN A 25 6.621 -6.476 0.769 1.00 0.00 H new ATOM 0 HA GLN A 25 8.216 -7.417 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.549 -5.132 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.778 -4.763 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.136 -7.133 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.867 -5.542 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.579 -6.119 2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.454 -6.563 4.570 1.00 0.00 H new ATOM 396 N GLN A 26 6.556 -6.573 4.660 1.00 0.00 N ATOM 397 CA GLN A 26 5.591 -6.100 5.637 1.00 0.00 C ATOM 398 C GLN A 26 5.991 -4.715 6.150 1.00 0.00 C ATOM 399 O GLN A 26 6.907 -4.590 6.961 1.00 0.00 O ATOM 400 CB GLN A 26 5.449 -7.092 6.793 1.00 0.00 C ATOM 401 CG GLN A 26 4.207 -6.783 7.632 1.00 0.00 C ATOM 402 CD GLN A 26 3.242 -7.970 7.640 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.602 -9.099 7.351 1.00 0.00 O ATOM 404 NE2 GLN A 26 1.998 -7.652 7.988 1.00 0.00 N ATOM 0 H GLN A 26 7.125 -7.361 4.970 1.00 0.00 H new ATOM 0 HA GLN A 26 4.620 -6.020 5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.384 -8.107 6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.337 -7.051 7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.504 -6.544 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.703 -5.903 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.764 -6.686 8.218 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.278 -8.374 8.025 1.00 0.00 H new ATOM 413 N ARG A 27 5.284 -3.709 5.656 1.00 0.00 N ATOM 414 CA ARG A 27 5.554 -2.338 6.054 1.00 0.00 C ATOM 415 C ARG A 27 4.317 -1.723 6.711 1.00 0.00 C ATOM 416 O ARG A 27 3.217 -2.264 6.601 1.00 0.00 O ATOM 417 CB ARG A 27 5.962 -1.485 4.851 1.00 0.00 C ATOM 418 CG ARG A 27 7.164 -2.096 4.128 1.00 0.00 C ATOM 419 CD ARG A 27 8.476 -1.518 4.661 1.00 0.00 C ATOM 420 NE ARG A 27 9.580 -2.478 4.437 1.00 0.00 N ATOM 421 CZ ARG A 27 10.874 -2.134 4.377 1.00 0.00 C ATOM 422 NH1 ARG A 27 11.234 -0.852 4.525 1.00 0.00 N ATOM 423 NH2 ARG A 27 11.808 -3.073 4.170 1.00 0.00 N ATOM 0 H ARG A 27 4.525 -3.816 4.984 1.00 0.00 H new ATOM 0 HA ARG A 27 6.378 -2.356 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.123 -1.399 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.207 -0.476 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.160 -3.178 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.086 -1.903 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.697 -0.574 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.382 -1.301 5.725 1.00 0.00 H new ATOM 0 HE ARG A 27 9.341 -3.463 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.523 -0.138 4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.219 -0.590 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.534 -4.049 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.793 -2.811 4.124 1.00 0.00 H new ATOM 437 N TYR A 28 4.537 -0.601 7.380 1.00 0.00 N ATOM 438 CA TYR A 28 3.454 0.094 8.054 1.00 0.00 C ATOM 439 C TYR A 28 2.831 1.154 7.143 1.00 0.00 C ATOM 440 O TYR A 28 3.488 2.127 6.778 1.00 0.00 O ATOM 441 CB TYR A 28 4.085 0.786 9.264 1.00 0.00 C ATOM 442 CG TYR A 28 3.092 1.112 10.382 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.769 1.362 10.078 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.520 1.157 11.693 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.835 1.670 11.130 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.586 1.464 12.745 1.00 0.00 C ATOM 447 CZ TYR A 28 1.289 1.706 12.412 1.00 0.00 C ATOM 448 OH TYR A 28 0.407 1.996 13.405 1.00 0.00 O ATOM 0 H TYR A 28 5.450 -0.156 7.470 1.00 0.00 H new ATOM 0 HA TYR A 28 2.667 -0.605 8.336 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.872 0.147 9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.561 1.709 8.934 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.434 1.327 9.052 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.555 0.962 11.930 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.203 1.868 10.906 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.908 1.501 13.775 1.00 0.00 H new ATOM 0 HH TYR A 28 0.871 1.985 14.268 1.00 0.00 H new ATOM 458 N PHE A 29 1.570 0.929 6.803 1.00 0.00 N ATOM 459 CA PHE A 29 0.852 1.853 5.942 1.00 0.00 C ATOM 460 C PHE A 29 -0.130 2.704 6.749 1.00 0.00 C ATOM 461 O PHE A 29 -0.934 2.174 7.515 1.00 0.00 O ATOM 462 CB PHE A 29 0.068 1.008 4.935 1.00 0.00 C ATOM 463 CG PHE A 29 0.830 0.715 3.642 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.650 -0.367 3.566 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.688 1.537 2.568 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.357 -0.639 2.365 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.396 1.265 1.367 1.00 0.00 C ATOM 468 CZ PHE A 29 2.215 0.183 1.291 1.00 0.00 C ATOM 0 H PHE A 29 1.028 0.121 7.108 1.00 0.00 H new ATOM 0 HA PHE A 29 1.555 2.526 5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.207 0.064 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.860 1.523 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.764 -1.019 4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.037 2.397 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.008 -1.499 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.284 1.918 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.753 -0.024 0.378 1.00 0.00 H new ATOM 478 N VAL A 30 -0.033 4.011 6.551 1.00 0.00 N ATOM 479 CA VAL A 30 -0.903 4.941 7.251 1.00 0.00 C ATOM 480 C VAL A 30 -1.601 5.845 6.233 1.00 0.00 C ATOM 481 O VAL A 30 -1.021 6.190 5.205 1.00 0.00 O ATOM 482 CB VAL A 30 -0.102 5.722 8.295 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.846 6.989 8.721 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.226 4.844 9.505 1.00 0.00 C ATOM 0 H VAL A 30 0.635 4.448 5.916 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.680 4.403 7.793 1.00 0.00 H new ATOM 0 HB VAL A 30 0.840 6.025 7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.255 7.526 9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.004 7.628 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.810 6.718 9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.796 5.424 10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.700 4.496 9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.816 3.986 9.183 1.00 0.00 H new ATOM 494 N LEU A 31 -2.835 6.203 6.555 1.00 0.00 N ATOM 495 CA LEU A 31 -3.618 7.060 5.682 1.00 0.00 C ATOM 496 C LEU A 31 -3.816 8.420 6.353 1.00 0.00 C ATOM 497 O LEU A 31 -4.518 8.524 7.358 1.00 0.00 O ATOM 498 CB LEU A 31 -4.926 6.372 5.288 1.00 0.00 C ATOM 499 CG LEU A 31 -5.290 6.422 3.803 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.980 5.129 3.363 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.134 7.658 3.486 1.00 0.00 C ATOM 0 H LEU A 31 -3.312 5.915 7.409 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.086 7.240 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.870 5.327 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.738 6.826 5.856 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.367 6.506 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.228 5.191 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.311 4.285 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.893 4.989 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.379 7.669 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.054 7.630 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.572 8.557 3.738 1.00 0.00 H new ATOM 513 N ARG A 32 -3.185 9.429 5.772 1.00 0.00 N ATOM 514 CA ARG A 32 -3.283 10.779 6.301 1.00 0.00 C ATOM 515 C ARG A 32 -3.819 11.731 5.231 1.00 0.00 C ATOM 516 O ARG A 32 -3.337 11.735 4.100 1.00 0.00 O ATOM 517 CB ARG A 32 -1.921 11.281 6.785 1.00 0.00 C ATOM 518 CG ARG A 32 -1.936 11.539 8.293 1.00 0.00 C ATOM 519 CD ARG A 32 -0.534 11.396 8.888 1.00 0.00 C ATOM 520 NE ARG A 32 -0.169 12.627 9.624 1.00 0.00 N ATOM 521 CZ ARG A 32 1.055 12.878 10.108 1.00 0.00 C ATOM 522 NH1 ARG A 32 2.040 11.986 9.935 1.00 0.00 N ATOM 523 NH2 ARG A 32 1.295 14.022 10.764 1.00 0.00 N ATOM 0 H ARG A 32 -2.603 9.339 4.939 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.970 10.754 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.153 10.546 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.659 12.199 6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.318 12.541 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.614 10.838 8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.501 10.538 9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.189 11.209 8.095 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.895 13.328 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.858 11.116 9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.972 12.177 10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.546 14.702 10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.227 14.213 11.132 1.00 0.00 H new ATOM 537 N ALA A 33 -4.810 12.517 5.626 1.00 0.00 N ATOM 538 CA ALA A 33 -5.417 13.472 4.715 1.00 0.00 C ATOM 539 C ALA A 33 -5.557 12.833 3.332 1.00 0.00 C ATOM 540 O ALA A 33 -5.869 11.648 3.220 1.00 0.00 O ATOM 541 CB ALA A 33 -4.579 14.752 4.684 1.00 0.00 C ATOM 0 H ALA A 33 -5.208 12.512 6.565 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.416 13.745 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.034 15.469 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.535 15.182 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.570 14.518 4.345 1.00 0.00 H new ATOM 547 N GLN A 34 -5.320 13.645 2.313 1.00 0.00 N ATOM 548 CA GLN A 34 -5.415 13.174 0.942 1.00 0.00 C ATOM 549 C GLN A 34 -4.053 12.673 0.457 1.00 0.00 C ATOM 550 O GLN A 34 -3.566 13.102 -0.589 1.00 0.00 O ATOM 551 CB GLN A 34 -5.956 14.270 0.021 1.00 0.00 C ATOM 552 CG GLN A 34 -7.278 14.828 0.551 1.00 0.00 C ATOM 553 CD GLN A 34 -7.577 16.201 -0.057 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.419 16.354 -0.925 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.840 17.187 0.448 1.00 0.00 N ATOM 0 H GLN A 34 -5.062 14.627 2.409 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.118 12.341 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.225 15.074 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.103 13.868 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.088 14.138 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.233 14.909 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.152 16.989 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.963 18.141 0.109 1.00 0.00 H new ATOM 564 N GLN A 35 -3.477 11.772 1.239 1.00 0.00 N ATOM 565 CA GLN A 35 -2.181 11.208 0.902 1.00 0.00 C ATOM 566 C GLN A 35 -1.968 9.888 1.645 1.00 0.00 C ATOM 567 O GLN A 35 -2.387 9.742 2.792 1.00 0.00 O ATOM 568 CB GLN A 35 -1.056 12.198 1.210 1.00 0.00 C ATOM 569 CG GLN A 35 -0.681 13.007 -0.034 1.00 0.00 C ATOM 570 CD GLN A 35 0.746 13.547 0.072 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.686 13.005 -0.487 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.856 14.642 0.818 1.00 0.00 N ATOM 0 H GLN A 35 -3.884 11.419 2.105 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.161 11.007 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.369 12.873 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.182 11.659 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.771 12.380 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.379 13.835 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.029 15.045 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.768 15.079 0.950 1.00 0.00 H new ATOM 581 N LEU A 36 -1.316 8.959 0.960 1.00 0.00 N ATOM 582 CA LEU A 36 -1.042 7.656 1.541 1.00 0.00 C ATOM 583 C LEU A 36 0.447 7.555 1.878 1.00 0.00 C ATOM 584 O LEU A 36 1.296 7.658 0.994 1.00 0.00 O ATOM 585 CB LEU A 36 -1.539 6.542 0.617 1.00 0.00 C ATOM 586 CG LEU A 36 -1.365 5.113 1.134 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.112 4.793 1.374 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.213 4.875 2.385 1.00 0.00 C ATOM 0 H LEU A 36 -0.970 9.083 0.009 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.590 7.533 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.598 6.708 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.017 6.628 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.723 4.427 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.208 3.771 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.663 4.896 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.519 5.484 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.071 3.851 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.909 5.569 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.265 5.035 2.147 1.00 0.00 H new ATOM 600 N TYR A 37 0.719 7.357 3.160 1.00 0.00 N ATOM 601 CA TYR A 37 2.090 7.241 3.625 1.00 0.00 C ATOM 602 C TYR A 37 2.360 5.848 4.197 1.00 0.00 C ATOM 603 O TYR A 37 1.430 5.074 4.420 1.00 0.00 O ATOM 604 CB TYR A 37 2.246 8.276 4.741 1.00 0.00 C ATOM 605 CG TYR A 37 1.703 9.662 4.384 1.00 0.00 C ATOM 606 CD1 TYR A 37 0.374 9.961 4.606 1.00 0.00 C ATOM 607 CD2 TYR A 37 2.543 10.612 3.840 1.00 0.00 C ATOM 608 CE1 TYR A 37 -0.136 11.265 4.271 1.00 0.00 C ATOM 609 CE2 TYR A 37 2.032 11.916 3.504 1.00 0.00 C ATOM 610 CZ TYR A 37 0.718 12.178 3.736 1.00 0.00 C ATOM 611 OH TYR A 37 0.236 13.410 3.419 1.00 0.00 O ATOM 0 H TYR A 37 0.012 7.274 3.891 1.00 0.00 H new ATOM 0 HA TYR A 37 2.788 7.403 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.733 7.914 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.302 8.365 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.283 9.217 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.583 10.378 3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.173 11.512 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.678 12.669 3.077 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.635 13.541 3.848 1.00 0.00 H new ATOM 621 N TYR A 38 3.636 5.571 4.419 1.00 0.00 N ATOM 622 CA TYR A 38 4.040 4.285 4.960 1.00 0.00 C ATOM 623 C TYR A 38 5.421 4.374 5.613 1.00 0.00 C ATOM 624 O TYR A 38 6.369 4.867 5.003 1.00 0.00 O ATOM 625 CB TYR A 38 4.113 3.329 3.768 1.00 0.00 C ATOM 626 CG TYR A 38 5.513 3.190 3.167 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.406 2.284 3.701 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.883 3.971 2.091 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.724 2.152 3.135 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.201 3.840 1.525 1.00 0.00 C ATOM 631 CZ TYR A 38 8.056 2.937 2.075 1.00 0.00 C ATOM 632 OH TYR A 38 9.301 2.813 1.541 1.00 0.00 O ATOM 0 H TYR A 38 4.404 6.216 4.234 1.00 0.00 H new ATOM 0 HA TYR A 38 3.335 3.951 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.764 2.345 4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.429 3.677 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.117 1.674 4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.184 4.681 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.432 1.446 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.503 4.445 0.683 1.00 0.00 H new ATOM 0 HH TYR A 38 9.409 3.457 0.810 1.00 0.00 H new ATOM 642 N TYR A 39 5.491 3.889 6.844 1.00 0.00 N ATOM 643 CA TYR A 39 6.741 3.907 7.586 1.00 0.00 C ATOM 644 C TYR A 39 7.275 2.489 7.795 1.00 0.00 C ATOM 645 O TYR A 39 6.548 1.514 7.610 1.00 0.00 O ATOM 646 CB TYR A 39 6.413 4.522 8.948 1.00 0.00 C ATOM 647 CG TYR A 39 5.873 5.951 8.873 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.525 6.170 8.675 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.734 7.022 9.001 1.00 0.00 C ATOM 650 CE1 TYR A 39 4.016 7.516 8.604 1.00 0.00 C ATOM 651 CE2 TYR A 39 6.226 8.367 8.930 1.00 0.00 C ATOM 652 CZ TYR A 39 4.892 8.548 8.735 1.00 0.00 C ATOM 653 OH TYR A 39 4.412 9.819 8.668 1.00 0.00 O ATOM 0 H TYR A 39 4.703 3.481 7.346 1.00 0.00 H new ATOM 0 HA TYR A 39 7.501 4.470 7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.679 3.893 9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.313 4.517 9.563 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.851 5.332 8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.789 6.851 9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.963 7.701 8.450 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.889 9.214 9.029 1.00 0.00 H new ATOM 0 HH TYR A 39 5.150 10.454 8.779 1.00 0.00 H new ATOM 789 N GLN A 48 8.274 7.459 4.331 1.00 0.00 N ATOM 790 CA GLN A 48 9.052 6.907 3.235 1.00 0.00 C ATOM 791 C GLN A 48 8.509 7.406 1.895 1.00 0.00 C ATOM 792 O GLN A 48 9.141 8.228 1.232 1.00 0.00 O ATOM 793 CB GLN A 48 9.064 5.378 3.286 1.00 0.00 C ATOM 794 CG GLN A 48 10.096 4.871 4.295 1.00 0.00 C ATOM 795 CD GLN A 48 11.511 4.947 3.718 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.757 5.557 2.691 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.423 4.297 4.434 1.00 0.00 N ATOM 0 HA GLN A 48 10.082 7.249 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.074 5.012 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.291 4.979 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.039 5.464 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.866 3.841 4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.148 3.806 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.397 4.289 4.132 1.00 0.00 H new ATOM 806 N GLY A 49 7.344 6.889 1.534 1.00 0.00 N ATOM 807 CA GLY A 49 6.709 7.273 0.285 1.00 0.00 C ATOM 808 C GLY A 49 5.368 7.964 0.540 1.00 0.00 C ATOM 809 O GLY A 49 4.816 7.869 1.636 1.00 0.00 O ATOM 0 H GLY A 49 6.823 6.207 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.367 7.942 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.555 6.390 -0.335 1.00 0.00 H new ATOM 813 N CYS A 50 4.883 8.642 -0.489 1.00 0.00 N ATOM 814 CA CYS A 50 3.617 9.349 -0.389 1.00 0.00 C ATOM 815 C CYS A 50 2.912 9.264 -1.744 1.00 0.00 C ATOM 816 O CYS A 50 3.452 9.703 -2.758 1.00 0.00 O ATOM 817 CB CYS A 50 3.812 10.798 0.062 1.00 0.00 C ATOM 818 SG CYS A 50 4.639 11.759 -1.257 1.00 0.00 S ATOM 0 H CYS A 50 5.343 8.717 -1.396 1.00 0.00 H new ATOM 0 HA CYS A 50 2.995 8.881 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.847 11.246 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.410 10.827 0.973 1.00 0.00 H new ATOM 0 HG CYS A 50 4.399 11.209 -2.410 1.00 0.00 H new ATOM 824 N MET A 51 1.715 8.695 -1.718 1.00 0.00 N ATOM 825 CA MET A 51 0.930 8.547 -2.932 1.00 0.00 C ATOM 826 C MET A 51 -0.312 9.439 -2.894 1.00 0.00 C ATOM 827 O MET A 51 -1.084 9.394 -1.937 1.00 0.00 O ATOM 828 CB MET A 51 0.505 7.086 -3.089 1.00 0.00 C ATOM 829 CG MET A 51 0.602 6.641 -4.550 1.00 0.00 C ATOM 830 SD MET A 51 2.245 6.034 -4.895 1.00 0.00 S ATOM 831 CE MET A 51 1.859 4.743 -6.066 1.00 0.00 C ATOM 0 H MET A 51 1.270 8.331 -0.875 1.00 0.00 H new ATOM 0 HA MET A 51 1.545 8.849 -3.780 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.138 6.451 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.518 6.961 -2.734 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.132 5.861 -4.751 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.368 7.477 -5.210 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.762 4.176 -6.293 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.109 4.077 -5.639 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.470 5.187 -6.982 1.00 0.00 H new ATOM 841 N TYR A 52 -0.466 10.230 -3.946 1.00 0.00 N ATOM 842 CA TYR A 52 -1.601 11.131 -4.045 1.00 0.00 C ATOM 843 C TYR A 52 -2.890 10.360 -4.339 1.00 0.00 C ATOM 844 O TYR A 52 -3.091 9.881 -5.454 1.00 0.00 O ATOM 845 CB TYR A 52 -1.299 12.062 -5.221 1.00 0.00 C ATOM 846 CG TYR A 52 -1.934 13.448 -5.096 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.936 14.100 -3.880 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.506 14.047 -6.200 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.533 15.405 -3.762 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.104 15.352 -6.083 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.088 15.966 -4.870 1.00 0.00 C ATOM 852 OH TYR A 52 -3.653 17.198 -4.759 1.00 0.00 O ATOM 0 H TYR A 52 0.177 10.265 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.744 11.671 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.219 12.175 -5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.650 11.594 -6.141 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.489 13.631 -3.016 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.505 13.537 -7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.540 15.926 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.555 15.832 -6.939 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.009 17.474 -5.629 1.00 0.00 H new ATOM 862 N LEU A 53 -3.729 10.263 -3.318 1.00 0.00 N ATOM 863 CA LEU A 53 -4.993 9.558 -3.453 1.00 0.00 C ATOM 864 C LEU A 53 -5.827 10.221 -4.551 1.00 0.00 C ATOM 865 O LEU A 53 -6.431 9.536 -5.375 1.00 0.00 O ATOM 866 CB LEU A 53 -5.708 9.477 -2.103 1.00 0.00 C ATOM 867 CG LEU A 53 -4.969 8.720 -0.997 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.911 8.384 0.161 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.279 7.473 -1.554 1.00 0.00 C ATOM 0 H LEU A 53 -3.559 10.661 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.823 8.526 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.901 10.492 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.677 9.003 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.189 9.370 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.361 7.846 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.317 9.305 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.728 7.761 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.761 6.953 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.025 6.810 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.559 7.766 -2.318 1.00 0.00 H new ATOM 881 N PRO A 54 -5.834 11.581 -4.527 1.00 0.00 N ATOM 882 CA PRO A 54 -6.584 12.343 -5.510 1.00 0.00 C ATOM 883 C PRO A 54 -5.874 12.337 -6.866 1.00 0.00 C ATOM 884 O PRO A 54 -5.501 13.390 -7.381 1.00 0.00 O ATOM 885 CB PRO A 54 -6.712 13.735 -4.914 1.00 0.00 C ATOM 886 CG PRO A 54 -5.639 13.830 -3.842 1.00 0.00 C ATOM 887 CD PRO A 54 -5.130 12.425 -3.566 1.00 0.00 C ATOM 0 HA PRO A 54 -7.567 11.918 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.571 14.501 -5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.704 13.888 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.824 14.473 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.046 14.274 -2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.050 12.362 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.343 12.121 -2.541 1.00 0.00 H new ATOM 895 N GLY A 55 -5.710 11.138 -7.407 1.00 0.00 N ATOM 896 CA GLY A 55 -5.053 10.980 -8.693 1.00 0.00 C ATOM 897 C GLY A 55 -4.283 9.660 -8.757 1.00 0.00 C ATOM 898 O GLY A 55 -3.146 9.622 -9.225 1.00 0.00 O ATOM 0 H GLY A 55 -6.021 10.267 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.795 11.011 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.369 11.812 -8.861 1.00 0.00 H new ATOM 902 N CYS A 56 -4.933 8.609 -8.279 1.00 0.00 N ATOM 903 CA CYS A 56 -4.324 7.290 -8.276 1.00 0.00 C ATOM 904 C CYS A 56 -5.330 6.295 -8.857 1.00 0.00 C ATOM 905 O CYS A 56 -6.486 6.641 -9.092 1.00 0.00 O ATOM 906 CB CYS A 56 -3.863 6.883 -6.875 1.00 0.00 C ATOM 907 SG CYS A 56 -2.035 6.868 -6.797 1.00 0.00 S ATOM 0 H CYS A 56 -5.876 8.644 -7.891 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.426 7.300 -8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.261 7.578 -6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.254 5.896 -6.627 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.624 7.854 -6.056 1.00 0.00 H new ATOM 913 N THR A 57 -4.852 5.078 -9.074 1.00 0.00 N ATOM 914 CA THR A 57 -5.695 4.030 -9.623 1.00 0.00 C ATOM 915 C THR A 57 -5.547 2.743 -8.809 1.00 0.00 C ATOM 916 O THR A 57 -4.499 2.100 -8.844 1.00 0.00 O ATOM 917 CB THR A 57 -5.335 3.859 -11.100 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.098 4.864 -11.763 1.00 0.00 O ATOM 919 CG2 THR A 57 -5.861 2.546 -11.684 1.00 0.00 C ATOM 0 H THR A 57 -3.892 4.795 -8.879 1.00 0.00 H new ATOM 0 HA THR A 57 -6.750 4.298 -9.559 1.00 0.00 H new ATOM 0 HB THR A 57 -4.252 3.899 -11.215 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.923 4.825 -12.726 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.578 2.476 -12.734 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.433 1.707 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.947 2.519 -11.599 1.00 0.00 H new ATOM 927 N ILE A 58 -6.611 2.407 -8.094 1.00 0.00 N ATOM 928 CA ILE A 58 -6.612 1.209 -7.272 1.00 0.00 C ATOM 929 C ILE A 58 -7.052 0.014 -8.120 1.00 0.00 C ATOM 930 O ILE A 58 -8.241 -0.159 -8.387 1.00 0.00 O ATOM 931 CB ILE A 58 -7.464 1.420 -6.019 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.768 2.364 -5.036 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.827 0.083 -5.370 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.371 3.768 -5.104 1.00 0.00 C ATOM 0 H ILE A 58 -7.478 2.944 -8.067 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.606 0.993 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.398 1.896 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.861 1.973 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.703 2.410 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.433 0.262 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.392 -0.524 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.915 -0.444 -5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.858 4.419 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.254 4.166 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.431 3.721 -4.853 1.00 0.00 H new ATOM 946 N LYS A 59 -6.070 -0.780 -8.521 1.00 0.00 N ATOM 947 CA LYS A 59 -6.341 -1.954 -9.334 1.00 0.00 C ATOM 948 C LYS A 59 -6.279 -3.204 -8.454 1.00 0.00 C ATOM 949 O LYS A 59 -5.240 -3.501 -7.864 1.00 0.00 O ATOM 950 CB LYS A 59 -5.398 -2.001 -10.538 1.00 0.00 C ATOM 951 CG LYS A 59 -5.567 -0.760 -11.416 1.00 0.00 C ATOM 952 CD LYS A 59 -5.728 -1.147 -12.887 1.00 0.00 C ATOM 953 CE LYS A 59 -4.537 -1.978 -13.369 1.00 0.00 C ATOM 954 NZ LYS A 59 -4.877 -2.697 -14.617 1.00 0.00 N ATOM 0 H LYS A 59 -5.085 -0.634 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.348 -1.906 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.366 -2.069 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.598 -2.897 -11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.439 -0.194 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.701 -0.108 -11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.649 -1.715 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.818 -0.247 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.678 -1.329 -13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.249 -2.692 -12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.058 -3.256 -14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.683 -3.331 -14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.130 -2.010 -15.356 1.00 0.00 H new ATOM 968 N GLU A 60 -7.403 -3.902 -8.392 1.00 0.00 N ATOM 969 CA GLU A 60 -7.488 -5.113 -7.594 1.00 0.00 C ATOM 970 C GLU A 60 -6.846 -6.286 -8.338 1.00 0.00 C ATOM 971 O GLU A 60 -7.406 -6.789 -9.311 1.00 0.00 O ATOM 972 CB GLU A 60 -8.940 -5.426 -7.226 1.00 0.00 C ATOM 973 CG GLU A 60 -9.450 -4.471 -6.145 1.00 0.00 C ATOM 974 CD GLU A 60 -10.809 -3.882 -6.530 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.801 -2.847 -7.230 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.825 -4.481 -6.115 1.00 0.00 O ATOM 0 H GLU A 60 -8.262 -3.652 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.939 -4.953 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.569 -5.346 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.016 -6.454 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.535 -5.002 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.730 -3.666 -5.996 1.00 0.00 H new ATOM 983 N ILE A 61 -5.681 -6.687 -7.852 1.00 0.00 N ATOM 984 CA ILE A 61 -4.957 -7.791 -8.458 1.00 0.00 C ATOM 985 C ILE A 61 -5.571 -9.114 -7.996 1.00 0.00 C ATOM 986 O ILE A 61 -5.193 -9.647 -6.954 1.00 0.00 O ATOM 987 CB ILE A 61 -3.459 -7.674 -8.167 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.975 -6.234 -8.356 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.657 -8.664 -9.014 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.145 -5.784 -9.808 1.00 0.00 C ATOM 0 H ILE A 61 -5.220 -6.267 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.051 -7.757 -9.543 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.292 -7.936 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.535 -5.569 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.926 -6.159 -8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.596 -8.560 -8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.978 -9.681 -8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.825 -8.458 -10.071 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.794 -4.758 -9.914 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.565 -6.436 -10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.198 -5.837 -10.085 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.530 -11.419 -1.753 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.704 -9.984 -1.605 1.00 0.00 C ATOM 1125 C PHE A 71 -5.409 -9.238 -1.932 1.00 0.00 C ATOM 1126 O PHE A 71 -4.539 -9.091 -1.075 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.072 -9.727 -0.142 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.074 -10.728 0.433 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.190 -11.056 -0.273 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.851 -11.291 1.651 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.120 -11.986 0.261 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.782 -12.221 2.185 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.897 -12.549 1.479 1.00 0.00 C ATOM 0 HA PHE A 71 -7.477 -9.630 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.164 -9.752 0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.486 -8.723 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.368 -10.609 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.966 -11.031 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.005 -12.247 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.604 -12.668 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.605 -13.256 1.885 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.322 -8.787 -3.175 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.148 -8.060 -3.626 1.00 0.00 C ATOM 1145 C VAL A 72 -4.587 -6.874 -4.487 1.00 0.00 C ATOM 1146 O VAL A 72 -5.425 -7.023 -5.375 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.194 -9.007 -4.357 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.863 -8.317 -4.662 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.974 -10.291 -3.553 1.00 0.00 C ATOM 0 H VAL A 72 -6.045 -8.911 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.598 -7.659 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.655 -9.280 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.204 -9.012 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.041 -7.446 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.395 -8.001 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.292 -10.947 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.545 -10.043 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.928 -10.798 -3.409 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.002 -5.722 -4.193 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.323 -4.511 -4.929 1.00 0.00 C ATOM 1161 C PHE A 73 -3.102 -3.594 -5.035 1.00 0.00 C ATOM 1162 O PHE A 73 -2.392 -3.384 -4.053 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.422 -3.789 -4.146 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.920 -3.060 -2.899 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.680 -3.756 -1.755 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.715 -1.716 -2.933 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.215 -3.078 -0.596 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.250 -1.039 -1.774 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.010 -1.735 -0.631 1.00 0.00 C ATOM 0 H PHE A 73 -3.308 -5.602 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.643 -4.764 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.910 -3.069 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.180 -4.515 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.843 -4.823 -1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.906 -1.163 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.025 -3.630 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.087 0.028 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.656 -1.220 0.250 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.897 -3.071 -6.235 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.775 -2.181 -6.481 1.00 0.00 C ATOM 1181 C GLU A 74 -2.275 -0.767 -6.781 1.00 0.00 C ATOM 1182 O GLU A 74 -3.302 -0.593 -7.435 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.899 -2.706 -7.621 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.308 -2.084 -8.958 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.932 -2.998 -10.126 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.241 -4.005 -9.859 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.344 -2.669 -11.259 1.00 0.00 O ATOM 0 H GLU A 74 -3.489 -3.246 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.161 -2.145 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.147 -2.479 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.984 -3.791 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.383 -1.903 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.821 -1.116 -9.077 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.525 0.208 -6.288 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.880 1.602 -6.494 1.00 0.00 C ATOM 1196 C ILE A 75 -1.015 2.183 -7.615 1.00 0.00 C ATOM 1197 O ILE A 75 0.209 2.058 -7.588 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.786 2.379 -5.180 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.596 1.692 -4.078 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.205 3.838 -5.374 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.059 2.059 -2.693 1.00 0.00 C ATOM 0 H ILE A 75 -0.673 0.060 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.918 1.687 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.744 2.383 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.643 1.985 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.556 0.611 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.129 4.368 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.550 4.310 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.235 3.877 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.652 1.558 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.019 1.743 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.123 3.138 -2.552 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.684 2.806 -8.573 1.00 0.00 N ATOM 1214 CA ILE A 76 -0.992 3.407 -9.701 1.00 0.00 C ATOM 1215 C ILE A 76 -1.124 4.929 -9.623 1.00 0.00 C ATOM 1216 O ILE A 76 -2.234 5.458 -9.577 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.496 2.812 -11.017 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.144 1.327 -11.119 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.973 3.609 -12.214 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.385 0.489 -11.431 1.00 0.00 C ATOM 0 H ILE A 76 -2.699 2.908 -8.592 1.00 0.00 H new ATOM 0 HA ILE A 76 0.073 3.177 -9.661 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.583 2.886 -11.031 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.396 1.180 -11.898 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.699 0.990 -10.183 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.346 3.165 -13.137 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.317 4.641 -12.142 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.117 3.589 -12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.106 -0.563 -11.498 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.121 0.620 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.813 0.812 -12.380 1.00 0.00 H new ATOM 1232 N PRO A 77 0.054 5.608 -9.610 1.00 0.00 N ATOM 1233 CA PRO A 77 0.080 7.059 -9.538 1.00 0.00 C ATOM 1234 C PRO A 77 -0.304 7.682 -10.882 1.00 0.00 C ATOM 1235 O PRO A 77 -0.115 7.068 -11.931 1.00 0.00 O ATOM 1236 CB PRO A 77 1.496 7.406 -9.106 1.00 0.00 C ATOM 1237 CG PRO A 77 2.335 6.174 -9.401 1.00 0.00 C ATOM 1238 CD PRO A 77 1.387 5.015 -9.663 1.00 0.00 C ATOM 0 HA PRO A 77 -0.647 7.458 -8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.869 8.273 -9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.530 7.657 -8.046 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.975 6.346 -10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.990 5.948 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.579 4.558 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.502 4.232 -8.914 1.00 0.00 H new ATOM 1411 N SER A 89 3.978 0.488 -10.039 1.00 0.00 N ATOM 1412 CA SER A 89 2.877 0.828 -9.153 1.00 0.00 C ATOM 1413 C SER A 89 3.148 0.284 -7.749 1.00 0.00 C ATOM 1414 O SER A 89 4.102 -0.465 -7.543 1.00 0.00 O ATOM 1415 CB SER A 89 1.551 0.282 -9.687 1.00 0.00 C ATOM 1416 OG SER A 89 1.643 -1.098 -10.032 1.00 0.00 O ATOM 0 HA SER A 89 2.799 1.914 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.774 0.417 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.249 0.856 -10.563 1.00 0.00 H new ATOM 0 HG SER A 89 2.568 -1.314 -10.272 1.00 0.00 H new ATOM 1422 N TYR A 90 2.292 0.683 -6.820 1.00 0.00 N ATOM 1423 CA TYR A 90 2.428 0.245 -5.441 1.00 0.00 C ATOM 1424 C TYR A 90 1.639 -1.042 -5.194 1.00 0.00 C ATOM 1425 O TYR A 90 0.462 -0.995 -4.838 1.00 0.00 O ATOM 1426 CB TYR A 90 1.834 1.365 -4.583 1.00 0.00 C ATOM 1427 CG TYR A 90 2.875 2.162 -3.794 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.129 2.379 -4.329 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.560 2.665 -2.548 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.108 3.130 -3.586 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.539 3.416 -1.806 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.765 3.611 -2.362 1.00 0.00 C ATOM 1433 OH TYR A 90 5.690 4.320 -1.661 1.00 0.00 O ATOM 0 H TYR A 90 1.502 1.304 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 90 3.473 0.044 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.280 2.048 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.117 0.933 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.376 1.986 -5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.579 2.495 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.093 3.307 -3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.305 3.815 -0.830 1.00 0.00 H new ATOM 0 HH TYR A 90 5.864 3.875 -0.806 1.00 0.00 H new ATOM 1443 N VAL A 91 2.318 -2.162 -5.394 1.00 0.00 N ATOM 1444 CA VAL A 91 1.696 -3.460 -5.198 1.00 0.00 C ATOM 1445 C VAL A 91 1.561 -3.735 -3.699 1.00 0.00 C ATOM 1446 O VAL A 91 2.526 -4.133 -3.048 1.00 0.00 O ATOM 1447 CB VAL A 91 2.493 -4.539 -5.935 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.851 -5.916 -5.751 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.639 -4.196 -7.418 1.00 0.00 C ATOM 0 H VAL A 91 3.293 -2.197 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 91 0.692 -3.470 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 91 3.492 -4.574 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.437 -6.665 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.823 -6.166 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.836 -5.900 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.209 -4.979 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.651 -4.120 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.161 -3.245 -7.522 1.00 0.00 H new ATOM 1459 N LEU A 92 0.356 -3.512 -3.195 1.00 0.00 N ATOM 1460 CA LEU A 92 0.082 -3.731 -1.785 1.00 0.00 C ATOM 1461 C LEU A 92 -0.785 -4.982 -1.627 1.00 0.00 C ATOM 1462 O LEU A 92 -1.609 -5.283 -2.488 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.527 -2.476 -1.157 1.00 0.00 C ATOM 1464 CG LEU A 92 0.189 -1.158 -1.461 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.332 -0.033 -0.565 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.706 -1.321 -1.354 1.00 0.00 C ATOM 0 H LEU A 92 -0.442 -3.182 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 92 1.008 -3.914 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.560 -2.391 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.553 -2.611 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.032 -0.878 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.193 0.893 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.400 0.102 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.160 -0.291 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.191 -0.370 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.968 -1.636 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.042 -2.074 -2.067 1.00 0.00 H new ATOM 1478 N MET A 93 -0.570 -5.675 -0.518 1.00 0.00 N ATOM 1479 CA MET A 93 -1.321 -6.886 -0.236 1.00 0.00 C ATOM 1480 C MET A 93 -1.761 -6.929 1.229 1.00 0.00 C ATOM 1481 O MET A 93 -1.001 -6.554 2.120 1.00 0.00 O ATOM 1482 CB MET A 93 -0.455 -8.109 -0.545 1.00 0.00 C ATOM 1483 CG MET A 93 -1.182 -9.403 -0.174 1.00 0.00 C ATOM 1484 SD MET A 93 -0.534 -10.763 -1.132 1.00 0.00 S ATOM 1485 CE MET A 93 1.163 -10.752 -0.578 1.00 0.00 C ATOM 0 H MET A 93 0.113 -5.421 0.195 1.00 0.00 H new ATOM 0 HA MET A 93 -2.212 -6.893 -0.864 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.201 -8.121 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.483 -8.044 0.006 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.060 -9.606 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.251 -9.295 -0.357 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.758 -11.407 -1.215 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.557 -9.737 -0.633 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.212 -11.105 0.452 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.987 -7.390 1.432 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.537 -7.487 2.774 1.00 0.00 C ATOM 1497 C ALA A 94 -3.716 -8.961 3.141 1.00 0.00 C ATOM 1498 O ALA A 94 -3.873 -9.809 2.264 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.849 -6.704 2.845 1.00 0.00 C ATOM 0 H ALA A 94 -3.615 -7.700 0.690 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.855 -7.047 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.262 -6.776 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.662 -5.658 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.560 -7.119 2.130 1.00 0.00 H new ATOM 1505 N SER A 95 -3.687 -9.222 4.440 1.00 0.00 N ATOM 1506 CA SER A 95 -3.845 -10.579 4.935 1.00 0.00 C ATOM 1507 C SER A 95 -5.272 -10.788 5.446 1.00 0.00 C ATOM 1508 O SER A 95 -5.492 -11.541 6.393 1.00 0.00 O ATOM 1509 CB SER A 95 -2.834 -10.883 6.043 1.00 0.00 C ATOM 1510 OG SER A 95 -1.945 -11.936 5.681 1.00 0.00 O ATOM 0 H SER A 95 -3.556 -8.516 5.165 1.00 0.00 H new ATOM 0 HA SER A 95 -3.657 -11.267 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.259 -9.984 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.366 -11.155 6.954 1.00 0.00 H new ATOM 0 HG SER A 95 -1.315 -12.098 6.414 1.00 0.00 H new ATOM 1516 N SER A 96 -6.204 -10.106 4.797 1.00 0.00 N ATOM 1517 CA SER A 96 -7.604 -10.207 5.174 1.00 0.00 C ATOM 1518 C SER A 96 -8.471 -9.435 4.178 1.00 0.00 C ATOM 1519 O SER A 96 -8.015 -8.466 3.572 1.00 0.00 O ATOM 1520 CB SER A 96 -7.831 -9.683 6.593 1.00 0.00 C ATOM 1521 OG SER A 96 -9.153 -9.183 6.772 1.00 0.00 O ATOM 0 H SER A 96 -6.017 -9.481 4.013 1.00 0.00 H new ATOM 0 HA SER A 96 -7.889 -11.259 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.646 -10.484 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.112 -8.892 6.807 1.00 0.00 H new ATOM 0 HG SER A 96 -9.259 -8.859 7.691 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.706 -9.893 4.038 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.642 -9.257 3.126 1.00 0.00 C ATOM 1529 C GLN A 97 -11.113 -7.918 3.697 1.00 0.00 C ATOM 1530 O GLN A 97 -11.178 -6.921 2.979 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.829 -10.175 2.830 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.694 -9.607 1.703 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.230 -10.725 0.807 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -14.045 -11.541 1.207 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -12.730 -10.718 -0.426 1.00 0.00 N ATOM 0 H GLN A 97 -10.081 -10.697 4.541 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.128 -9.067 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.467 -11.165 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.432 -10.297 3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.526 -9.045 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.108 -8.908 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.051 -10.007 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.026 -11.424 -1.100 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.430 -7.938 4.983 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.893 -6.738 5.659 1.00 0.00 C ATOM 1546 C ALA A 98 -10.755 -5.716 5.712 1.00 0.00 C ATOM 1547 O ALA A 98 -10.999 -4.516 5.829 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.414 -7.104 7.050 1.00 0.00 C ATOM 0 H ALA A 98 -11.375 -8.767 5.575 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.719 -6.283 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.761 -6.204 7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.240 -7.809 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.612 -7.561 7.630 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.537 -6.230 5.623 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.361 -5.377 5.660 1.00 0.00 C ATOM 1556 C GLU A 99 -8.200 -4.638 4.330 1.00 0.00 C ATOM 1557 O GLU A 99 -7.923 -3.439 4.312 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.107 -6.187 5.993 1.00 0.00 C ATOM 1559 CG GLU A 99 -5.920 -5.266 6.282 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.448 -5.418 7.729 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -4.839 -6.470 8.020 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -5.707 -4.479 8.512 1.00 0.00 O ATOM 0 H GLU A 99 -9.339 -7.226 5.525 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.496 -4.638 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.299 -6.821 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.865 -6.848 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.101 -5.499 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.205 -4.231 6.095 1.00 0.00 H new ATOM 1569 N MET A 100 -8.380 -5.383 3.250 1.00 0.00 N ATOM 1570 CA MET A 100 -8.258 -4.814 1.919 1.00 0.00 C ATOM 1571 C MET A 100 -9.456 -3.920 1.593 1.00 0.00 C ATOM 1572 O MET A 100 -9.300 -2.867 0.976 1.00 0.00 O ATOM 1573 CB MET A 100 -8.166 -5.940 0.887 1.00 0.00 C ATOM 1574 CG MET A 100 -8.032 -5.377 -0.529 1.00 0.00 C ATOM 1575 SD MET A 100 -9.645 -4.989 -1.187 1.00 0.00 S ATOM 1576 CE MET A 100 -10.456 -6.564 -0.968 1.00 0.00 C ATOM 0 H MET A 100 -8.610 -6.377 3.269 1.00 0.00 H new ATOM 0 HA MET A 100 -7.354 -4.206 1.887 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.309 -6.575 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 100 -9.054 -6.569 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.411 -4.482 -0.516 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.533 -6.102 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 100 -11.223 -6.688 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.723 -7.366 -1.056 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.918 -6.601 0.019 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.625 -4.372 2.022 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.849 -3.626 1.784 1.00 0.00 C ATOM 1588 C GLU A 101 -11.795 -2.274 2.500 1.00 0.00 C ATOM 1589 O GLU A 101 -12.166 -1.250 1.928 1.00 0.00 O ATOM 1590 CB GLU A 101 -13.075 -4.430 2.222 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.826 -4.988 1.011 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.147 -3.879 0.006 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -15.067 -3.089 0.308 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.464 -3.848 -1.040 1.00 0.00 O ATOM 0 H GLU A 101 -10.751 -5.246 2.533 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.938 -3.444 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.764 -5.249 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.741 -3.795 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.224 -5.758 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.750 -5.465 1.339 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.330 -2.316 3.740 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.223 -1.107 4.539 1.00 0.00 C ATOM 1603 C GLU A 102 -10.217 -0.141 3.909 1.00 0.00 C ATOM 1604 O GLU A 102 -10.546 1.012 3.636 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.836 -1.437 5.982 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.022 -0.221 6.891 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.441 -0.174 7.462 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -12.640 -0.778 8.539 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.295 0.464 6.809 1.00 0.00 O ATOM 0 H GLU A 102 -11.023 -3.167 4.211 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.199 -0.621 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.446 -2.264 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.798 -1.767 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.299 -0.258 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.822 0.691 6.329 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.011 -0.648 3.697 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.955 0.155 3.105 1.00 0.00 C ATOM 1618 C TRP A 103 -8.476 0.717 1.780 1.00 0.00 C ATOM 1619 O TRP A 103 -8.503 1.931 1.585 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.671 -0.660 2.945 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.756 -0.628 4.171 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.446 -1.637 4.996 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.042 0.518 4.681 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.587 -1.228 5.996 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.334 0.124 5.798 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.995 1.843 4.213 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.528 0.995 6.541 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.185 2.701 4.967 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.466 2.321 6.094 1.00 0.00 C ATOM 0 H TRP A 103 -8.742 -1.605 3.925 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.691 0.988 3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.935 -1.695 2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.120 -0.284 2.083 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.821 -2.644 4.892 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.208 -1.811 6.743 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.540 2.173 3.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.983 0.662 7.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.114 3.731 4.650 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.863 3.044 6.622 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.876 -0.193 0.905 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.394 0.197 -0.396 1.00 0.00 C ATOM 1642 C VAL A 104 -10.534 1.200 -0.206 1.00 0.00 C ATOM 1643 O VAL A 104 -10.543 2.259 -0.832 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.816 -1.045 -1.184 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.713 -0.666 -2.364 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.594 -1.836 -1.656 1.00 0.00 C ATOM 0 H VAL A 104 -8.852 -1.199 1.071 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.620 0.691 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.392 -1.686 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.999 -1.566 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.608 -0.166 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.172 0.004 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.922 -2.714 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.979 -1.206 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.009 -2.152 -0.792 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.466 0.832 0.660 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.607 1.687 0.940 1.00 0.00 C ATOM 1658 C LYS A 105 -12.139 3.140 1.036 1.00 0.00 C ATOM 1659 O LYS A 105 -12.566 3.987 0.253 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.351 1.197 2.184 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.431 2.195 2.605 1.00 0.00 C ATOM 1662 CD LYS A 105 -15.442 1.543 3.551 1.00 0.00 C ATOM 1663 CE LYS A 105 -15.454 2.246 4.910 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.744 2.941 5.122 1.00 0.00 N ATOM 0 H LYS A 105 -11.455 -0.047 1.177 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.329 1.638 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.806 0.227 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.645 1.054 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.968 3.051 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.946 2.573 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.437 1.582 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.194 0.490 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.292 1.518 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.635 2.963 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.736 3.413 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.884 3.650 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.520 2.249 5.093 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.267 3.384 2.003 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.736 4.721 2.212 1.00 0.00 C ATOM 1680 C PHE A 106 -9.926 5.185 1.000 1.00 0.00 C ATOM 1681 O PHE A 106 -10.176 6.259 0.456 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.813 4.650 3.430 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.550 4.665 4.771 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.094 5.822 5.235 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.661 3.521 5.498 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.778 5.835 6.480 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.345 3.535 6.743 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.889 4.692 7.207 1.00 0.00 C ATOM 0 H PHE A 106 -10.915 2.679 2.651 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.553 5.427 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.214 3.742 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.121 5.491 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.006 6.730 4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.229 2.602 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.210 6.753 6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.433 2.627 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.409 4.702 8.153 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.972 4.351 0.612 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.123 4.662 -0.526 1.00 0.00 C ATOM 1700 C LEU A 107 -8.983 5.228 -1.658 1.00 0.00 C ATOM 1701 O LEU A 107 -8.761 6.351 -2.109 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.301 3.438 -0.932 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.154 3.059 0.007 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.611 1.667 -0.324 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -5.054 4.123 -0.013 1.00 0.00 C ATOM 0 H LEU A 107 -8.768 3.460 1.065 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.397 5.431 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.974 2.584 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.888 3.616 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.545 3.019 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.797 1.422 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.408 0.931 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.241 1.655 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.251 3.829 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.660 4.220 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.467 5.079 0.308 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.946 4.425 -2.085 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.841 4.832 -3.155 1.00 0.00 C ATOM 1719 C ARG A 108 -11.610 6.092 -2.754 1.00 0.00 C ATOM 1720 O ARG A 108 -11.577 7.096 -3.464 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.836 3.720 -3.494 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.658 3.245 -4.937 1.00 0.00 C ATOM 1723 CD ARG A 108 -10.750 2.014 -5.000 1.00 0.00 C ATOM 1724 NE ARG A 108 -10.941 1.310 -6.288 1.00 0.00 N ATOM 1725 CZ ARG A 108 -10.563 1.801 -7.475 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -9.971 3.002 -7.547 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -10.776 1.092 -8.592 1.00 0.00 N ATOM 0 H ARG A 108 -10.126 3.494 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.233 5.039 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.696 2.882 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.854 4.082 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.630 3.007 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.231 4.048 -5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.708 2.315 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.976 1.342 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.389 0.394 -6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.808 3.542 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.683 3.375 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.226 0.178 -8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.488 1.466 -9.496 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.284 5.998 -1.618 1.00 0.00 N ATOM 1742 CA ARG A 109 -13.061 7.118 -1.114 1.00 0.00 C ATOM 1743 C ARG A 109 -12.312 8.432 -1.349 1.00 0.00 C ATOM 1744 O ARG A 109 -12.733 9.253 -2.162 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.346 6.963 0.381 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.179 8.134 0.906 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.956 7.735 2.162 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.318 7.289 1.794 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.186 6.738 2.654 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -16.838 6.562 3.936 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.401 6.363 2.232 1.00 0.00 N ATOM 0 H ARG A 109 -12.308 5.164 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 109 -14.008 7.133 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.876 6.027 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.406 6.906 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.526 8.977 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.874 8.465 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.432 6.936 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.014 8.580 2.848 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.615 7.408 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.913 6.847 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -17.498 6.143 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.666 6.497 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.061 5.944 2.887 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.216 8.589 -0.623 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.405 9.789 -0.742 1.00 0.00 C ATOM 1767 C VAL A 110 -10.146 10.079 -2.222 1.00 0.00 C ATOM 1768 O VAL A 110 -10.426 11.177 -2.701 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.117 9.633 0.070 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.259 10.897 -0.015 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.427 9.277 1.525 1.00 0.00 C ATOM 0 H VAL A 110 -10.870 7.905 0.050 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.932 10.649 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.546 8.811 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.350 10.760 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.995 11.088 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.820 11.745 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.495 9.172 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.029 10.068 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.978 8.337 1.560 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.615 9.076 -2.906 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.316 9.210 -4.321 1.00 0.00 C ATOM 1783 C ALA A 111 -10.541 9.771 -5.046 1.00 0.00 C ATOM 1784 O ALA A 111 -10.409 10.591 -5.953 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.878 7.855 -4.881 1.00 0.00 C ATOM 0 H ALA A 111 -9.384 8.167 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.493 9.908 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.654 7.956 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.988 7.514 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.680 7.129 -4.747 1.00 0.00 H new