USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 863 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 96 SER OG : rot -72:sc= 0.571 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -152:sc= 0.631 (180deg=0.272) USER MOD Set 2.1: A 97 CYS SG : rot 76:sc= -0.591 USER MOD Set 2.2: A 102 CYS SG : rot 170:sc= -2.94! USER MOD Set 2.3: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 115 HIS : no HE2:sc= -1.14 K(o=-5,f=-8.8) USER MOD Set 2.5: A 116 HIS : no HD1:sc= -0.27 K(o=-5,f=-10) USER MOD Set 2.6: A 119 HIS : no HE2:sc= -0.0627 K(o=-5,f=-7.7) USER MOD Set 3.1: A 68 GLN : amide:sc= 0.638 K(o=2.4,f=-1.6!) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.73 K(o=2.4,f=-1.6) USER MOD Set 4.1: A 69 CYS SG : rot 80:sc= 2.03 USER MOD Set 4.2: A 71 THR OG1 : rot 62:sc= 1.09 USER MOD Set 4.3: A 72 CYS SG : rot -46:sc= -0.653 USER MOD Set 4.4: A 85 HIS : no HD1:sc= -1.61 K(o=0.34,f=-3.8) USER MOD Set 4.5: A 89 HIS : no HE2:sc= -0.519 K(o=0.34,f=-1.9!) USER MOD Set 5.1: A 65 LYS NZ :NH3+ -170:sc= -0.0153 (180deg=-0.158) USER MOD Set 5.2: A 77 SER OG : rot -92:sc= 0.889 USER MOD Set 6.1: A 39 CYS SG : rot -150:sc= 1.44 USER MOD Set 6.2: A 57 HIS : no HD1:sc= -1.45 K(o=0.8,f=-3!) USER MOD Set 6.3: A 58 GLN : amide:sc= 0.804 X(o=0.8,f=0.88) USER MOD Set 6.4: A 61 HIS : no HD1:sc= 0 X(o=0.8,f=0.5) USER MOD Set 7.1: A 37 TYR OH : rot 153:sc= 0.783 USER MOD Set 7.2: A 51 SER OG : rot -65:sc= 1.85 USER MOD Set 8.1: A 30 LYS NZ :NH3+ -166:sc= 0.873 (180deg=0) USER MOD Set 8.2: A 49 SER OG : rot -122:sc= 0.772 USER MOD Set 9.1: A 9 CYS SG : rot 80:sc= 0.619! USER MOD Set 9.2: A 14 CYS SG : rot 120:sc= 1.01 USER MOD Set 9.3: A 16 LYS NZ :NH3+ 151:sc= 1.22 (180deg=-0.458) USER MOD Set 9.4: A 18 TYR OH : rot 180:sc= -0.144 USER MOD Set 9.5: A 27 HIS : no HD1:sc= -1.12 K(o=-0.09,f=-2.9) USER MOD Set 9.6: A 31 HIS : no HE2:sc= -1.68 K(o=-0.09,f=-3.8!) USER MOD Single : A 8 MET CE :methyl 164:sc= -0.0229 (180deg=-0.308) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.445 K(o=0.44,f=-0.46) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0197) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 23 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-5.7!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -95:sc= 1.1 USER MOD Single : A 32 THR OG1 : rot -37:sc= 1.11 USER MOD Single : A 38 GLN : amide:sc= 1.53 K(o=1.5,f=-2.6!) USER MOD Single : A 53 GLN : amide:sc= -0.994! C(o=-0.99!,f=-9.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -76:sc= -0.397 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.0353 (180deg=-0.258) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 81 HIS : no HE2:sc= -0.142 K(o=-0.14,f=-1.6) USER MOD Single : A 83 LYS NZ :NH3+ 146:sc= -0.209 (180deg=-1.19) USER MOD Single : A 84 THR OG1 : rot 57:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 88 THR OG1 : rot 84:sc= 1.3 USER MOD Single : A 90 THR OG1 : rot 74:sc= 0.902 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0.379 (180deg=0.374) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00848 USER MOD Single : A 103 GLN : amide:sc= 1.11 K(o=1.1,f=-0.031) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 117 ASN : amide:sc= 0.882 K(o=0.88,f=-0.036) USER MOD Single : A 118 MET CE :methyl -177:sc= 0 (180deg=-0.0158) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 8.755 7.789 -15.487 1.00 0.00 N ATOM 98 CA PHE A 7 9.291 7.931 -14.112 1.00 0.00 C ATOM 99 C PHE A 7 10.012 6.658 -13.671 1.00 0.00 C ATOM 100 O PHE A 7 9.771 5.595 -14.212 1.00 0.00 O ATOM 101 CB PHE A 7 8.128 8.216 -13.134 1.00 0.00 C ATOM 102 CG PHE A 7 7.217 9.362 -13.539 1.00 0.00 C ATOM 103 CD1 PHE A 7 7.553 10.692 -13.221 1.00 0.00 C ATOM 104 CD2 PHE A 7 6.052 9.099 -14.283 1.00 0.00 C ATOM 105 CE1 PHE A 7 6.753 11.752 -13.690 1.00 0.00 C ATOM 106 CE2 PHE A 7 5.268 10.156 -14.776 1.00 0.00 C ATOM 107 CZ PHE A 7 5.632 11.484 -14.495 1.00 0.00 C ATOM 0 HA PHE A 7 10.003 8.757 -14.105 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.527 7.312 -13.034 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.545 8.433 -12.150 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.424 10.899 -12.617 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.758 8.078 -14.476 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.001 12.771 -13.431 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.389 9.949 -15.369 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.050 12.300 -14.898 1.00 0.00 H new ATOM 117 N MET A 8 10.925 6.780 -12.699 1.00 0.00 N ATOM 118 CA MET A 8 11.512 5.599 -12.041 1.00 0.00 C ATOM 119 C MET A 8 11.580 5.796 -10.526 1.00 0.00 C ATOM 120 O MET A 8 11.658 6.927 -10.040 1.00 0.00 O ATOM 121 CB MET A 8 12.923 5.313 -12.586 1.00 0.00 C ATOM 122 CG MET A 8 12.939 4.873 -14.053 1.00 0.00 C ATOM 123 SD MET A 8 14.522 4.212 -14.643 1.00 0.00 S ATOM 124 CE MET A 8 14.624 2.668 -13.694 1.00 0.00 C ATOM 0 H MET A 8 11.272 7.674 -12.351 1.00 0.00 H new ATOM 0 HA MET A 8 10.868 4.747 -12.259 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.533 6.210 -12.478 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.387 4.537 -11.978 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.170 4.114 -14.196 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.665 5.725 -14.675 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.377 2.017 -14.138 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.900 2.892 -12.664 1.00 0.00 H new ATOM 0 HE3 MET A 8 13.656 2.167 -13.709 1.00 0.00 H new ATOM 134 N CYS A 9 11.638 4.679 -9.793 1.00 0.00 N ATOM 135 CA CYS A 9 11.927 4.709 -8.357 1.00 0.00 C ATOM 136 C CYS A 9 13.416 5.060 -8.118 1.00 0.00 C ATOM 137 O CYS A 9 14.220 5.076 -9.057 1.00 0.00 O ATOM 138 CB CYS A 9 11.600 3.344 -7.723 1.00 0.00 C ATOM 139 SG CYS A 9 11.886 3.366 -5.927 1.00 0.00 S ATOM 0 H CYS A 9 11.489 3.744 -10.171 1.00 0.00 H new ATOM 0 HA CYS A 9 11.306 5.474 -7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.560 3.086 -7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.215 2.570 -8.182 1.00 0.00 H new ATOM 0 HG CYS A 9 10.877 3.932 -5.334 1.00 0.00 H new ATOM 144 N ALA A 10 13.765 5.333 -6.860 1.00 0.00 N ATOM 145 CA ALA A 10 15.121 5.726 -6.501 1.00 0.00 C ATOM 146 C ALA A 10 15.558 5.114 -5.142 1.00 0.00 C ATOM 147 O ALA A 10 16.625 5.452 -4.628 1.00 0.00 O ATOM 148 CB ALA A 10 15.204 7.258 -6.434 1.00 0.00 C ATOM 0 H ALA A 10 13.120 5.288 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 10 15.798 5.346 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.217 7.556 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.947 7.679 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.506 7.628 -5.683 1.00 0.00 H new ATOM 154 N TYR A 11 14.744 4.197 -4.574 1.00 0.00 N ATOM 155 CA TYR A 11 15.104 3.530 -3.315 1.00 0.00 C ATOM 156 C TYR A 11 16.212 2.473 -3.561 1.00 0.00 C ATOM 157 O TYR A 11 16.170 1.739 -4.557 1.00 0.00 O ATOM 158 CB TYR A 11 13.865 2.853 -2.709 1.00 0.00 C ATOM 159 CG TYR A 11 14.032 2.354 -1.277 1.00 0.00 C ATOM 160 CD1 TYR A 11 13.773 3.212 -0.186 1.00 0.00 C ATOM 161 CD2 TYR A 11 14.463 1.036 -1.028 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.926 2.767 1.144 1.00 0.00 C ATOM 163 CE2 TYR A 11 14.746 0.633 0.291 1.00 0.00 C ATOM 164 CZ TYR A 11 14.516 1.510 1.373 1.00 0.00 C ATOM 165 OH TYR A 11 14.913 1.176 2.632 1.00 0.00 O ATOM 0 H TYR A 11 13.847 3.909 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 11 15.482 4.279 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.035 3.559 -2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.586 2.009 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.452 4.226 -0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.576 0.338 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.597 3.379 1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.142 -0.355 0.476 1.00 0.00 H new ATOM 0 HH TYR A 11 15.300 0.276 2.625 1.00 0.00 H new ATOM 175 N PRO A 12 17.211 2.382 -2.645 1.00 0.00 N ATOM 176 CA PRO A 12 18.314 1.429 -2.770 1.00 0.00 C ATOM 177 C PRO A 12 17.848 -0.026 -2.582 1.00 0.00 C ATOM 178 O PRO A 12 17.899 -0.573 -1.480 1.00 0.00 O ATOM 179 CB PRO A 12 19.292 1.850 -1.657 1.00 0.00 C ATOM 180 CG PRO A 12 18.410 2.518 -0.603 1.00 0.00 C ATOM 181 CD PRO A 12 17.344 3.208 -1.449 1.00 0.00 C ATOM 0 HA PRO A 12 18.764 1.451 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.819 0.989 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.050 2.537 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.975 1.790 0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.971 3.230 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 12 16.398 3.277 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.641 4.225 -1.704 1.00 0.00 H new ATOM 189 N GLY A 13 17.354 -0.626 -3.672 1.00 0.00 N ATOM 190 CA GLY A 13 16.812 -1.990 -3.622 1.00 0.00 C ATOM 191 C GLY A 13 15.596 -2.179 -4.556 1.00 0.00 C ATOM 192 O GLY A 13 15.008 -3.258 -4.596 1.00 0.00 O ATOM 0 H GLY A 13 17.318 -0.192 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.593 -2.698 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.519 -2.224 -2.598 1.00 0.00 H new ATOM 196 N CYS A 14 15.234 -1.117 -5.305 1.00 0.00 N ATOM 197 CA CYS A 14 14.102 -1.168 -6.234 1.00 0.00 C ATOM 198 C CYS A 14 14.498 -0.607 -7.612 1.00 0.00 C ATOM 199 O CYS A 14 14.674 -1.366 -8.565 1.00 0.00 O ATOM 200 CB CYS A 14 12.929 -0.370 -5.662 1.00 0.00 C ATOM 201 SG CYS A 14 11.613 -0.263 -6.909 1.00 0.00 S ATOM 0 H CYS A 14 15.713 -0.217 -5.280 1.00 0.00 H new ATOM 0 HA CYS A 14 13.805 -2.209 -6.362 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.552 -0.851 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 14 13.258 0.629 -5.377 1.00 0.00 H new ATOM 0 HG CYS A 14 10.529 -0.809 -6.444 1.00 0.00 H new ATOM 206 N ASN A 15 14.618 0.738 -7.699 1.00 0.00 N ATOM 207 CA ASN A 15 14.914 1.439 -8.972 1.00 0.00 C ATOM 208 C ASN A 15 14.139 0.800 -10.168 1.00 0.00 C ATOM 209 O ASN A 15 14.733 0.436 -11.191 1.00 0.00 O ATOM 210 CB ASN A 15 16.444 1.439 -9.240 1.00 0.00 C ATOM 211 CG ASN A 15 17.194 0.110 -9.224 1.00 0.00 C ATOM 212 OD1 ASN A 15 17.966 -0.181 -8.322 1.00 0.00 O ATOM 213 ND2 ASN A 15 17.016 -0.710 -10.237 1.00 0.00 N ATOM 0 H ASN A 15 14.514 1.363 -6.899 1.00 0.00 H new ATOM 0 HA ASN A 15 14.576 2.471 -8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.608 1.899 -10.215 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.909 2.089 -8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.523 -1.594 -10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.370 -0.462 -10.987 1.00 0.00 H new ATOM 220 N LYS A 16 12.800 0.773 -10.051 1.00 0.00 N ATOM 221 CA LYS A 16 11.922 0.318 -11.149 1.00 0.00 C ATOM 222 C LYS A 16 11.384 1.510 -11.928 1.00 0.00 C ATOM 223 O LYS A 16 11.750 2.643 -11.652 1.00 0.00 O ATOM 224 CB LYS A 16 10.751 -0.507 -10.571 1.00 0.00 C ATOM 225 CG LYS A 16 11.241 -1.853 -10.013 1.00 0.00 C ATOM 226 CD LYS A 16 10.149 -2.536 -9.174 1.00 0.00 C ATOM 227 CE LYS A 16 10.674 -3.762 -8.417 1.00 0.00 C ATOM 228 NZ LYS A 16 11.739 -3.396 -7.458 1.00 0.00 N ATOM 0 H LYS A 16 12.300 1.060 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 16 12.502 -0.307 -11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.259 0.060 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.007 -0.682 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.534 -2.506 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.129 -1.695 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.741 -1.819 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.330 -2.839 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.852 -4.240 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.060 -4.492 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.732 -4.063 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.663 -3.434 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.572 -2.432 -7.104 1.00 0.00 H new ATOM 242 N ARG A 17 10.527 1.246 -12.929 1.00 0.00 N ATOM 243 CA ARG A 17 10.025 2.307 -13.814 1.00 0.00 C ATOM 244 C ARG A 17 8.492 2.369 -13.814 1.00 0.00 C ATOM 245 O ARG A 17 7.816 1.347 -13.722 1.00 0.00 O ATOM 246 CB ARG A 17 10.549 2.087 -15.250 1.00 0.00 C ATOM 247 CG ARG A 17 10.218 0.777 -16.001 1.00 0.00 C ATOM 248 CD ARG A 17 8.773 0.559 -16.484 1.00 0.00 C ATOM 249 NE ARG A 17 8.085 1.807 -16.860 1.00 0.00 N ATOM 250 CZ ARG A 17 6.931 1.915 -17.500 1.00 0.00 C ATOM 251 NH1 ARG A 17 6.284 0.872 -17.971 1.00 0.00 N ATOM 252 NH2 ARG A 17 6.401 3.099 -17.689 1.00 0.00 N ATOM 0 H ARG A 17 10.171 0.315 -13.143 1.00 0.00 H new ATOM 0 HA ARG A 17 10.393 3.260 -13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.181 2.912 -15.860 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.635 2.176 -15.216 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.872 0.718 -16.871 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.480 -0.056 -15.348 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.782 -0.114 -17.341 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.206 0.064 -15.696 1.00 0.00 H new ATOM 0 HE ARG A 17 8.546 2.679 -16.600 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.669 -0.065 -17.849 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.397 0.999 -18.458 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.877 3.932 -17.344 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.512 3.187 -18.182 1.00 0.00 H new ATOM 266 N TYR A 18 7.967 3.598 -13.874 1.00 0.00 N ATOM 267 CA TYR A 18 6.541 3.857 -13.804 1.00 0.00 C ATOM 268 C TYR A 18 6.101 4.780 -14.967 1.00 0.00 C ATOM 269 O TYR A 18 6.940 5.346 -15.681 1.00 0.00 O ATOM 270 CB TYR A 18 6.232 4.537 -12.466 1.00 0.00 C ATOM 271 CG TYR A 18 6.407 3.576 -11.308 1.00 0.00 C ATOM 272 CD1 TYR A 18 7.688 3.301 -10.791 1.00 0.00 C ATOM 273 CD2 TYR A 18 5.301 2.838 -10.857 1.00 0.00 C ATOM 274 CE1 TYR A 18 7.875 2.227 -9.901 1.00 0.00 C ATOM 275 CE2 TYR A 18 5.494 1.722 -10.031 1.00 0.00 C ATOM 276 CZ TYR A 18 6.791 1.380 -9.600 1.00 0.00 C ATOM 277 OH TYR A 18 7.006 0.224 -8.918 1.00 0.00 O ATOM 0 H TYR A 18 8.532 4.441 -13.973 1.00 0.00 H new ATOM 0 HA TYR A 18 5.998 2.915 -13.885 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.890 5.396 -12.331 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.210 4.916 -12.476 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.528 3.916 -11.078 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.302 3.130 -11.146 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.842 2.054 -9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.648 1.124 -9.725 1.00 0.00 H new ATOM 0 HH TYR A 18 6.154 -0.244 -8.791 1.00 0.00 H new ATOM 287 N PHE A 19 4.778 4.924 -15.144 1.00 0.00 N ATOM 288 CA PHE A 19 4.220 5.705 -16.267 1.00 0.00 C ATOM 289 C PHE A 19 3.395 6.917 -15.765 1.00 0.00 C ATOM 290 O PHE A 19 3.100 7.832 -16.531 1.00 0.00 O ATOM 291 CB PHE A 19 3.327 4.795 -17.127 1.00 0.00 C ATOM 292 CG PHE A 19 2.985 5.342 -18.500 1.00 0.00 C ATOM 293 CD1 PHE A 19 3.869 5.152 -19.583 1.00 0.00 C ATOM 294 CD2 PHE A 19 1.776 6.037 -18.708 1.00 0.00 C ATOM 295 CE1 PHE A 19 3.553 5.661 -20.853 1.00 0.00 C ATOM 296 CE2 PHE A 19 1.461 6.546 -19.980 1.00 0.00 C ATOM 297 CZ PHE A 19 2.350 6.360 -21.053 1.00 0.00 C ATOM 0 H PHE A 19 4.075 4.513 -14.529 1.00 0.00 H new ATOM 0 HA PHE A 19 5.051 6.087 -16.860 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.826 3.834 -17.250 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.399 4.606 -16.587 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.793 4.613 -19.435 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.089 6.179 -17.887 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.235 5.515 -21.677 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.535 7.080 -20.133 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.109 6.754 -22.029 1.00 0.00 H new ATOM 307 N LYS A 20 3.050 6.917 -14.468 1.00 0.00 N ATOM 308 CA LYS A 20 2.238 7.991 -13.866 1.00 0.00 C ATOM 309 C LYS A 20 2.892 8.512 -12.587 1.00 0.00 C ATOM 310 O LYS A 20 3.296 7.734 -11.734 1.00 0.00 O ATOM 311 CB LYS A 20 0.823 7.464 -13.557 1.00 0.00 C ATOM 312 CG LYS A 20 -0.087 7.624 -14.783 1.00 0.00 C ATOM 313 CD LYS A 20 -1.472 7.009 -14.535 1.00 0.00 C ATOM 314 CE LYS A 20 -2.421 7.227 -15.721 1.00 0.00 C ATOM 315 NZ LYS A 20 -1.970 6.515 -16.936 1.00 0.00 N ATOM 0 H LYS A 20 3.321 6.184 -13.813 1.00 0.00 H new ATOM 0 HA LYS A 20 2.170 8.815 -14.577 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.874 6.414 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.402 8.007 -12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.194 8.682 -15.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.376 7.146 -15.647 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.366 5.940 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.908 7.448 -13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.420 6.885 -15.452 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.495 8.294 -15.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.675 6.635 -17.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.058 6.905 -17.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.859 5.503 -16.724 1.00 0.00 H new ATOM 329 N LEU A 21 3.033 9.833 -12.482 1.00 0.00 N ATOM 330 CA LEU A 21 3.760 10.445 -11.365 1.00 0.00 C ATOM 331 C LEU A 21 3.145 10.045 -10.006 1.00 0.00 C ATOM 332 O LEU A 21 3.856 9.622 -9.100 1.00 0.00 O ATOM 333 CB LEU A 21 3.774 11.984 -11.513 1.00 0.00 C ATOM 334 CG LEU A 21 2.485 12.830 -11.443 1.00 0.00 C ATOM 335 CD1 LEU A 21 2.889 14.293 -11.653 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.433 12.485 -12.506 1.00 0.00 C ATOM 0 H LEU A 21 2.655 10.501 -13.154 1.00 0.00 H new ATOM 0 HA LEU A 21 4.785 10.075 -11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.442 12.367 -10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.240 12.202 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 21 2.027 12.629 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.002 14.925 -11.610 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.587 14.594 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.366 14.403 -12.627 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.563 13.129 -12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.856 12.637 -13.499 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.132 11.443 -12.395 1.00 0.00 H new ATOM 348 N SER A 22 1.817 10.147 -9.894 1.00 0.00 N ATOM 349 CA SER A 22 1.117 9.749 -8.672 1.00 0.00 C ATOM 350 C SER A 22 1.190 8.239 -8.470 1.00 0.00 C ATOM 351 O SER A 22 1.426 7.773 -7.372 1.00 0.00 O ATOM 352 CB SER A 22 -0.350 10.187 -8.748 1.00 0.00 C ATOM 353 OG SER A 22 -0.942 9.726 -9.955 1.00 0.00 O ATOM 0 H SER A 22 1.208 10.500 -10.632 1.00 0.00 H new ATOM 0 HA SER A 22 1.602 10.236 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.899 9.793 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.415 11.274 -8.695 1.00 0.00 H new ATOM 0 HG SER A 22 -1.879 10.011 -9.990 1.00 0.00 H new ATOM 359 N HIS A 23 0.923 7.485 -9.528 1.00 0.00 N ATOM 360 CA HIS A 23 0.955 6.018 -9.426 1.00 0.00 C ATOM 361 C HIS A 23 2.382 5.527 -9.003 1.00 0.00 C ATOM 362 O HIS A 23 2.514 4.586 -8.219 1.00 0.00 O ATOM 363 CB HIS A 23 0.514 5.379 -10.767 1.00 0.00 C ATOM 364 CG HIS A 23 1.371 4.470 -11.624 1.00 0.00 C ATOM 365 ND1 HIS A 23 0.891 3.360 -12.281 1.00 0.00 N ATOM 366 CD2 HIS A 23 2.605 4.725 -12.145 1.00 0.00 C ATOM 367 CE1 HIS A 23 1.805 2.988 -13.196 1.00 0.00 C ATOM 368 NE2 HIS A 23 2.867 3.802 -13.160 1.00 0.00 N ATOM 0 H HIS A 23 0.686 7.847 -10.452 1.00 0.00 H new ATOM 0 HA HIS A 23 0.253 5.702 -8.654 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.391 4.814 -10.545 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.222 6.208 -11.411 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -0.002 2.900 -12.105 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.271 5.512 -11.825 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.697 2.149 -13.867 1.00 0.00 H new ATOM 376 N LEU A 24 3.418 6.282 -9.393 1.00 0.00 N ATOM 377 CA LEU A 24 4.772 6.049 -8.885 1.00 0.00 C ATOM 378 C LEU A 24 4.901 6.515 -7.410 1.00 0.00 C ATOM 379 O LEU A 24 5.458 5.809 -6.581 1.00 0.00 O ATOM 380 CB LEU A 24 5.795 6.782 -9.765 1.00 0.00 C ATOM 381 CG LEU A 24 7.311 6.548 -9.510 1.00 0.00 C ATOM 382 CD1 LEU A 24 7.998 7.854 -9.098 1.00 0.00 C ATOM 383 CD2 LEU A 24 7.708 5.458 -8.500 1.00 0.00 C ATOM 0 H LEU A 24 3.343 7.054 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 24 4.972 4.978 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.590 6.514 -10.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.606 7.851 -9.669 1.00 0.00 H new ATOM 0 HG LEU A 24 7.651 6.175 -10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.058 7.668 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.884 8.591 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.541 8.233 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.794 5.409 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.288 5.697 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.323 4.495 -8.834 1.00 0.00 H new ATOM 395 N GLN A 25 4.294 7.663 -7.081 1.00 0.00 N ATOM 396 CA GLN A 25 4.238 8.136 -5.684 1.00 0.00 C ATOM 397 C GLN A 25 3.550 7.083 -4.784 1.00 0.00 C ATOM 398 O GLN A 25 3.980 6.844 -3.654 1.00 0.00 O ATOM 399 CB GLN A 25 3.475 9.473 -5.608 1.00 0.00 C ATOM 400 CG GLN A 25 3.537 10.152 -4.230 1.00 0.00 C ATOM 401 CD GLN A 25 2.685 11.425 -4.177 1.00 0.00 C ATOM 402 OE1 GLN A 25 1.837 11.683 -5.018 1.00 0.00 O ATOM 403 NE2 GLN A 25 2.856 12.269 -3.179 1.00 0.00 N ATOM 0 H GLN A 25 3.838 8.279 -7.753 1.00 0.00 H new ATOM 0 HA GLN A 25 5.257 8.287 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.881 10.154 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.431 9.299 -5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.194 9.454 -3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.572 10.399 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.557 12.077 -2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.287 13.114 -3.122 1.00 0.00 H new ATOM 412 N MET A 26 2.507 6.435 -5.313 1.00 0.00 N ATOM 413 CA MET A 26 1.832 5.350 -4.618 1.00 0.00 C ATOM 414 C MET A 26 2.787 4.155 -4.414 1.00 0.00 C ATOM 415 O MET A 26 2.930 3.665 -3.297 1.00 0.00 O ATOM 416 CB MET A 26 0.594 4.904 -5.409 1.00 0.00 C ATOM 417 CG MET A 26 -0.577 5.879 -5.263 1.00 0.00 C ATOM 418 SD MET A 26 -1.290 5.945 -3.599 1.00 0.00 S ATOM 419 CE MET A 26 -2.540 7.226 -3.868 1.00 0.00 C ATOM 0 H MET A 26 2.114 6.651 -6.229 1.00 0.00 H new ATOM 0 HA MET A 26 1.518 5.713 -3.639 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.855 4.810 -6.463 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.285 3.916 -5.067 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.240 6.878 -5.541 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.358 5.598 -5.969 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.085 7.403 -2.941 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.053 8.149 -4.184 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.235 6.899 -4.641 1.00 0.00 H new ATOM 429 N HIS A 27 3.542 3.787 -5.468 1.00 0.00 N ATOM 430 CA HIS A 27 4.592 2.751 -5.339 1.00 0.00 C ATOM 431 C HIS A 27 5.621 3.164 -4.263 1.00 0.00 C ATOM 432 O HIS A 27 6.010 2.355 -3.417 1.00 0.00 O ATOM 433 CB HIS A 27 5.317 2.541 -6.693 1.00 0.00 C ATOM 434 CG HIS A 27 6.668 1.904 -6.469 1.00 0.00 C ATOM 435 ND1 HIS A 27 6.913 0.613 -6.035 1.00 0.00 N ATOM 436 CD2 HIS A 27 7.860 2.576 -6.456 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.228 0.514 -5.778 1.00 0.00 C ATOM 438 NE2 HIS A 27 8.830 1.679 -6.041 1.00 0.00 N ATOM 0 H HIS A 27 3.449 4.182 -6.404 1.00 0.00 H new ATOM 0 HA HIS A 27 4.115 1.817 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.712 1.909 -7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.438 3.498 -7.201 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.015 3.612 -6.720 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.724 -0.373 -5.414 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.827 1.873 -5.952 1.00 0.00 H new ATOM 446 N SER A 28 5.948 4.461 -4.230 1.00 0.00 N ATOM 447 CA SER A 28 6.945 4.996 -3.303 1.00 0.00 C ATOM 448 C SER A 28 6.543 4.726 -1.849 1.00 0.00 C ATOM 449 O SER A 28 7.406 4.587 -0.985 1.00 0.00 O ATOM 450 CB SER A 28 7.131 6.507 -3.523 1.00 0.00 C ATOM 451 OG SER A 28 6.241 7.316 -2.783 1.00 0.00 O ATOM 0 H SER A 28 5.531 5.163 -4.841 1.00 0.00 H new ATOM 0 HA SER A 28 7.890 4.490 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.154 6.777 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.006 6.726 -4.583 1.00 0.00 H new ATOM 0 HG SER A 28 5.469 7.548 -3.340 1.00 0.00 H new ATOM 457 N ARG A 29 5.223 4.618 -1.584 1.00 0.00 N ATOM 458 CA ARG A 29 4.721 4.391 -0.216 1.00 0.00 C ATOM 459 C ARG A 29 5.365 3.138 0.394 1.00 0.00 C ATOM 460 O ARG A 29 5.748 3.143 1.567 1.00 0.00 O ATOM 461 CB ARG A 29 3.195 4.222 -0.228 1.00 0.00 C ATOM 462 CG ARG A 29 2.394 5.471 -0.624 1.00 0.00 C ATOM 463 CD ARG A 29 0.939 5.135 -1.000 1.00 0.00 C ATOM 464 NE ARG A 29 0.261 4.238 -0.049 1.00 0.00 N ATOM 465 CZ ARG A 29 -0.120 4.511 1.186 1.00 0.00 C ATOM 466 NH1 ARG A 29 0.031 5.703 1.722 1.00 0.00 N ATOM 467 NH2 ARG A 29 -0.705 3.599 1.922 1.00 0.00 N ATOM 0 H ARG A 29 4.494 4.684 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 29 4.984 5.259 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.942 3.416 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.874 3.906 0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.399 6.181 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.881 5.961 -1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.372 6.063 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.928 4.674 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 29 0.062 3.295 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.455 6.456 1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.276 5.874 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.871 2.667 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.995 3.821 2.874 1.00 0.00 H new ATOM 481 N LYS A 30 5.553 2.091 -0.434 1.00 0.00 N ATOM 482 CA LYS A 30 6.219 0.849 0.014 1.00 0.00 C ATOM 483 C LYS A 30 7.625 1.146 0.583 1.00 0.00 C ATOM 484 O LYS A 30 8.076 0.479 1.510 1.00 0.00 O ATOM 485 CB LYS A 30 6.329 -0.139 -1.175 1.00 0.00 C ATOM 486 CG LYS A 30 7.392 -1.249 -1.109 1.00 0.00 C ATOM 487 CD LYS A 30 7.199 -2.235 0.048 1.00 0.00 C ATOM 488 CE LYS A 30 8.559 -2.852 0.379 1.00 0.00 C ATOM 489 NZ LYS A 30 8.515 -3.635 1.626 1.00 0.00 N ATOM 0 H LYS A 30 5.256 2.079 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 30 5.620 0.403 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.357 -0.617 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.515 0.446 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.383 -1.802 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.376 -0.789 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.791 -1.724 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.486 -3.012 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.877 -3.494 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.304 -2.062 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.485 -3.837 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.016 -3.092 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.013 -4.530 1.456 1.00 0.00 H new ATOM 503 N HIS A 31 8.298 2.153 0.020 1.00 0.00 N ATOM 504 CA HIS A 31 9.649 2.522 0.445 1.00 0.00 C ATOM 505 C HIS A 31 9.626 3.564 1.579 1.00 0.00 C ATOM 506 O HIS A 31 10.483 3.533 2.464 1.00 0.00 O ATOM 507 CB HIS A 31 10.423 3.067 -0.737 1.00 0.00 C ATOM 508 CG HIS A 31 10.745 1.982 -1.724 1.00 0.00 C ATOM 509 ND1 HIS A 31 11.214 0.721 -1.418 1.00 0.00 N ATOM 510 CD2 HIS A 31 10.633 2.067 -3.084 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.419 0.078 -2.572 1.00 0.00 C ATOM 512 NE2 HIS A 31 11.073 0.852 -3.602 1.00 0.00 N ATOM 0 H HIS A 31 7.926 2.729 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 31 10.137 1.626 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.841 3.847 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.346 3.530 -0.388 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.375 0.348 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.272 2.914 -3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.809 -0.925 -2.658 1.00 0.00 H new ATOM 520 N THR A 32 8.615 4.465 1.573 1.00 0.00 N ATOM 521 CA THR A 32 8.419 5.424 2.697 1.00 0.00 C ATOM 522 C THR A 32 8.371 4.672 4.024 1.00 0.00 C ATOM 523 O THR A 32 8.883 5.146 5.036 1.00 0.00 O ATOM 524 CB THR A 32 7.112 6.232 2.541 1.00 0.00 C ATOM 525 OG1 THR A 32 5.931 5.465 2.668 1.00 0.00 O ATOM 526 CG2 THR A 32 7.044 7.088 1.274 1.00 0.00 C ATOM 0 H THR A 32 7.932 4.551 0.820 1.00 0.00 H new ATOM 0 HA THR A 32 9.261 6.116 2.681 1.00 0.00 H new ATOM 0 HB THR A 32 7.157 6.910 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.066 4.586 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.093 7.621 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.863 7.807 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.127 6.447 0.397 1.00 0.00 H new ATOM 592 N TYR A 37 7.553 -2.150 10.210 1.00 0.00 N ATOM 593 CA TYR A 37 6.565 -2.684 11.172 1.00 0.00 C ATOM 594 C TYR A 37 6.869 -4.151 11.508 1.00 0.00 C ATOM 595 O TYR A 37 6.341 -5.062 10.884 1.00 0.00 O ATOM 596 CB TYR A 37 5.144 -2.562 10.595 1.00 0.00 C ATOM 597 CG TYR A 37 4.485 -1.214 10.793 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.188 -0.738 12.087 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.120 -0.459 9.670 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.486 0.472 12.252 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.444 0.765 9.826 1.00 0.00 C ATOM 602 CZ TYR A 37 3.101 1.217 11.116 1.00 0.00 C ATOM 603 OH TYR A 37 2.345 2.340 11.251 1.00 0.00 O ATOM 0 HA TYR A 37 6.630 -2.099 12.089 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.182 -2.777 9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.516 -3.327 11.052 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.500 -1.303 12.953 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.359 -0.819 8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.243 0.828 13.242 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.189 1.357 8.959 1.00 0.00 H new ATOM 0 HH TYR A 37 2.520 2.945 10.500 1.00 0.00 H new ATOM 613 N GLN A 38 7.681 -4.358 12.537 1.00 0.00 N ATOM 614 CA GLN A 38 8.048 -5.704 12.981 1.00 0.00 C ATOM 615 C GLN A 38 7.085 -6.205 14.054 1.00 0.00 C ATOM 616 O GLN A 38 6.727 -5.466 14.971 1.00 0.00 O ATOM 617 CB GLN A 38 9.470 -5.679 13.554 1.00 0.00 C ATOM 618 CG GLN A 38 10.098 -7.064 13.762 1.00 0.00 C ATOM 619 CD GLN A 38 11.147 -7.020 14.859 1.00 0.00 C ATOM 620 OE1 GLN A 38 12.283 -6.612 14.637 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.778 -7.393 16.071 1.00 0.00 N ATOM 0 H GLN A 38 8.102 -3.608 13.085 1.00 0.00 H new ATOM 0 HA GLN A 38 7.997 -6.377 12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.108 -5.102 12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.454 -5.154 14.509 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.323 -7.785 14.022 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.552 -7.406 12.832 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.829 -7.729 16.234 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.442 -7.345 16.844 1.00 0.00 H new ATOM 630 N CYS A 39 6.733 -7.490 13.974 1.00 0.00 N ATOM 631 CA CYS A 39 5.997 -8.155 15.054 1.00 0.00 C ATOM 632 C CYS A 39 6.854 -8.197 16.345 1.00 0.00 C ATOM 633 O CYS A 39 8.091 -8.145 16.292 1.00 0.00 O ATOM 634 CB CYS A 39 5.617 -9.585 14.636 1.00 0.00 C ATOM 635 SG CYS A 39 4.475 -10.290 15.866 1.00 0.00 S ATOM 0 H CYS A 39 6.944 -8.090 13.176 1.00 0.00 H new ATOM 0 HA CYS A 39 5.087 -7.588 15.252 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.149 -9.576 13.652 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.512 -10.203 14.558 1.00 0.00 H new ATOM 0 HG CYS A 39 4.634 -11.579 15.917 1.00 0.00 H new ATOM 731 N ARG A 46 8.355 -11.031 12.244 1.00 0.00 N ATOM 732 CA ARG A 46 8.169 -10.745 10.819 1.00 0.00 C ATOM 733 C ARG A 46 7.945 -9.257 10.606 1.00 0.00 C ATOM 734 O ARG A 46 7.297 -8.595 11.420 1.00 0.00 O ATOM 735 CB ARG A 46 6.965 -11.540 10.270 1.00 0.00 C ATOM 736 CG ARG A 46 7.363 -12.806 9.486 1.00 0.00 C ATOM 737 CD ARG A 46 8.245 -13.820 10.231 1.00 0.00 C ATOM 738 NE ARG A 46 7.567 -14.386 11.404 1.00 0.00 N ATOM 739 CZ ARG A 46 7.759 -15.565 11.984 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.623 -16.453 11.539 1.00 0.00 N ATOM 741 NH2 ARG A 46 7.075 -15.858 13.061 1.00 0.00 N ATOM 0 HA ARG A 46 9.069 -11.047 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.320 -11.826 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.378 -10.891 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.451 -13.313 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.886 -12.497 8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.525 -14.625 9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.168 -13.334 10.546 1.00 0.00 H new ATOM 0 HE ARG A 46 6.853 -13.795 11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.183 -16.249 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.732 -17.345 12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.408 -15.186 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.209 -16.759 13.521 1.00 0.00 H new ATOM 755 N ARG A 47 8.509 -8.725 9.517 1.00 0.00 N ATOM 756 CA ARG A 47 8.454 -7.293 9.238 1.00 0.00 C ATOM 757 C ARG A 47 7.519 -7.000 8.069 1.00 0.00 C ATOM 758 O ARG A 47 7.640 -7.592 6.998 1.00 0.00 O ATOM 759 CB ARG A 47 9.861 -6.767 8.913 1.00 0.00 C ATOM 760 CG ARG A 47 10.734 -6.735 10.163 1.00 0.00 C ATOM 761 CD ARG A 47 12.104 -6.093 9.924 1.00 0.00 C ATOM 762 NE ARG A 47 12.641 -5.598 11.201 1.00 0.00 N ATOM 763 CZ ARG A 47 12.386 -4.413 11.748 1.00 0.00 C ATOM 764 NH1 ARG A 47 11.808 -3.429 11.087 1.00 0.00 N ATOM 765 NH2 ARG A 47 12.655 -4.226 13.020 1.00 0.00 N ATOM 0 H ARG A 47 9.009 -9.269 8.815 1.00 0.00 H new ATOM 0 HA ARG A 47 8.070 -6.789 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.325 -7.401 8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.790 -5.765 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.214 -6.186 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.875 -7.753 10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.788 -6.821 9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.014 -5.273 9.212 1.00 0.00 H new ATOM 0 HE ARG A 47 13.266 -6.220 11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.536 -3.560 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.633 -2.537 11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.054 -4.984 13.574 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.465 -3.323 13.454 1.00 0.00 H new ATOM 779 N PHE A 48 6.637 -6.031 8.274 1.00 0.00 N ATOM 780 CA PHE A 48 5.716 -5.565 7.243 1.00 0.00 C ATOM 781 C PHE A 48 5.961 -4.082 6.954 1.00 0.00 C ATOM 782 O PHE A 48 6.642 -3.397 7.719 1.00 0.00 O ATOM 783 CB PHE A 48 4.269 -5.775 7.710 1.00 0.00 C ATOM 784 CG PHE A 48 3.977 -7.202 8.129 1.00 0.00 C ATOM 785 CD1 PHE A 48 4.340 -7.651 9.415 1.00 0.00 C ATOM 786 CD2 PHE A 48 3.436 -8.110 7.201 1.00 0.00 C ATOM 787 CE1 PHE A 48 4.234 -9.010 9.751 1.00 0.00 C ATOM 788 CE2 PHE A 48 3.309 -9.465 7.541 1.00 0.00 C ATOM 789 CZ PHE A 48 3.758 -9.920 8.792 1.00 0.00 C ATOM 0 H PHE A 48 6.539 -5.543 9.164 1.00 0.00 H new ATOM 0 HA PHE A 48 5.884 -6.135 6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.064 -5.108 8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.590 -5.493 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.702 -6.944 10.147 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.119 -7.765 6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.515 -9.352 10.736 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.866 -10.158 6.841 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.737 -10.976 9.018 1.00 0.00 H new ATOM 799 N SER A 49 5.428 -3.597 5.834 1.00 0.00 N ATOM 800 CA SER A 49 5.664 -2.217 5.404 1.00 0.00 C ATOM 801 C SER A 49 4.566 -1.282 5.908 1.00 0.00 C ATOM 802 O SER A 49 4.840 -0.140 6.272 1.00 0.00 O ATOM 803 CB SER A 49 5.735 -2.149 3.874 1.00 0.00 C ATOM 804 OG SER A 49 7.077 -1.933 3.507 1.00 0.00 O ATOM 0 H SER A 49 4.831 -4.137 5.208 1.00 0.00 H new ATOM 0 HA SER A 49 6.613 -1.892 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.365 -3.075 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.104 -1.343 3.499 1.00 0.00 H new ATOM 0 HG SER A 49 7.142 -1.115 2.971 1.00 0.00 H new ATOM 810 N ARG A 50 3.314 -1.767 5.913 1.00 0.00 N ATOM 811 CA ARG A 50 2.164 -0.943 6.314 1.00 0.00 C ATOM 812 C ARG A 50 1.566 -1.433 7.634 1.00 0.00 C ATOM 813 O ARG A 50 1.612 -2.631 7.954 1.00 0.00 O ATOM 814 CB ARG A 50 1.088 -0.973 5.221 1.00 0.00 C ATOM 815 CG ARG A 50 1.522 -0.330 3.894 1.00 0.00 C ATOM 816 CD ARG A 50 0.325 -0.191 2.941 1.00 0.00 C ATOM 817 NE ARG A 50 -0.204 -1.504 2.524 1.00 0.00 N ATOM 818 CZ ARG A 50 0.052 -2.141 1.384 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.882 -1.660 0.492 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.467 -3.318 1.158 1.00 0.00 N ATOM 0 H ARG A 50 3.074 -2.721 5.645 1.00 0.00 H new ATOM 0 HA ARG A 50 2.516 0.079 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.804 -2.009 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.199 -0.460 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.957 0.651 4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.297 -0.937 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.464 0.379 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.627 0.375 2.060 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.831 -1.972 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.354 -0.772 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.056 -2.174 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.071 -3.752 1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.269 -3.803 0.283 1.00 0.00 H new ATOM 834 N SER A 51 0.936 -0.507 8.361 1.00 0.00 N ATOM 835 CA SER A 51 0.279 -0.818 9.624 1.00 0.00 C ATOM 836 C SER A 51 -0.776 -1.905 9.428 1.00 0.00 C ATOM 837 O SER A 51 -0.883 -2.822 10.228 1.00 0.00 O ATOM 838 CB SER A 51 -0.385 0.447 10.197 1.00 0.00 C ATOM 839 OG SER A 51 0.231 1.645 9.747 1.00 0.00 O ATOM 0 H SER A 51 0.869 0.474 8.089 1.00 0.00 H new ATOM 0 HA SER A 51 1.032 -1.181 10.323 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.438 0.458 9.916 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.346 0.411 11.286 1.00 0.00 H new ATOM 0 HG SER A 51 1.150 1.687 10.084 1.00 0.00 H new ATOM 845 N ASP A 52 -1.556 -1.791 8.340 1.00 0.00 N ATOM 846 CA ASP A 52 -2.635 -2.739 8.056 1.00 0.00 C ATOM 847 C ASP A 52 -2.085 -4.144 7.770 1.00 0.00 C ATOM 848 O ASP A 52 -2.687 -5.133 8.162 1.00 0.00 O ATOM 849 CB ASP A 52 -3.456 -2.254 6.859 1.00 0.00 C ATOM 850 CG ASP A 52 -2.854 -2.548 5.477 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.951 -1.785 5.063 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.285 -3.535 4.839 1.00 0.00 O ATOM 0 H ASP A 52 -1.456 -1.050 7.646 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.272 -2.795 8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.444 -2.712 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.598 -1.177 6.952 1.00 0.00 H new ATOM 857 N GLN A 53 -0.914 -4.216 7.119 1.00 0.00 N ATOM 858 CA GLN A 53 -0.258 -5.499 6.854 1.00 0.00 C ATOM 859 C GLN A 53 0.143 -6.170 8.169 1.00 0.00 C ATOM 860 O GLN A 53 -0.178 -7.336 8.403 1.00 0.00 O ATOM 861 CB GLN A 53 0.986 -5.289 5.981 1.00 0.00 C ATOM 862 CG GLN A 53 0.738 -4.830 4.535 1.00 0.00 C ATOM 863 CD GLN A 53 2.038 -4.385 3.855 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.088 -4.222 4.464 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.031 -4.137 2.564 1.00 0.00 N ATOM 0 H GLN A 53 -0.406 -3.403 6.769 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.960 -6.143 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.625 -4.552 6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.544 -6.225 5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.289 -5.644 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.024 -4.006 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.174 -4.262 2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.883 -3.820 2.101 1.00 0.00 H new ATOM 874 N LEU A 54 0.804 -5.403 9.053 1.00 0.00 N ATOM 875 CA LEU A 54 1.197 -5.904 10.379 1.00 0.00 C ATOM 876 C LEU A 54 -0.052 -6.266 11.229 1.00 0.00 C ATOM 877 O LEU A 54 -0.090 -7.318 11.864 1.00 0.00 O ATOM 878 CB LEU A 54 2.046 -4.835 11.108 1.00 0.00 C ATOM 879 CG LEU A 54 2.474 -5.153 12.559 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.317 -6.423 12.686 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.293 -4.006 13.170 1.00 0.00 C ATOM 0 H LEU A 54 1.076 -4.437 8.873 1.00 0.00 H new ATOM 0 HA LEU A 54 1.790 -6.809 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.946 -4.658 10.520 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.482 -3.902 11.117 1.00 0.00 H new ATOM 0 HG LEU A 54 1.534 -5.295 13.092 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.580 -6.582 13.732 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.746 -7.277 12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.227 -6.316 12.095 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.576 -4.265 14.190 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.191 -3.843 12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.693 -3.096 13.180 1.00 0.00 H new ATOM 893 N LYS A 55 -1.081 -5.397 11.200 1.00 0.00 N ATOM 894 CA LYS A 55 -2.345 -5.645 11.935 1.00 0.00 C ATOM 895 C LYS A 55 -3.038 -6.913 11.419 1.00 0.00 C ATOM 896 O LYS A 55 -3.465 -7.754 12.204 1.00 0.00 O ATOM 897 CB LYS A 55 -3.293 -4.443 11.777 1.00 0.00 C ATOM 898 CG LYS A 55 -2.959 -3.266 12.708 1.00 0.00 C ATOM 899 CD LYS A 55 -3.938 -2.108 12.461 1.00 0.00 C ATOM 900 CE LYS A 55 -3.673 -0.948 13.422 1.00 0.00 C ATOM 901 NZ LYS A 55 -4.715 0.094 13.301 1.00 0.00 N ATOM 0 H LYS A 55 -1.066 -4.520 10.679 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.102 -5.782 12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.259 -4.098 10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.315 -4.769 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.017 -3.586 13.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.936 -2.932 12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.843 -1.761 11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.962 -2.461 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.644 -1.320 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.695 -0.515 13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.510 0.869 13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.725 0.464 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.644 -0.316 13.525 1.00 0.00 H new ATOM 915 N ARG A 56 -3.121 -7.054 10.089 1.00 0.00 N ATOM 916 CA ARG A 56 -3.670 -8.265 9.467 1.00 0.00 C ATOM 917 C ARG A 56 -2.868 -9.495 9.901 1.00 0.00 C ATOM 918 O ARG A 56 -3.437 -10.500 10.310 1.00 0.00 O ATOM 919 CB ARG A 56 -3.636 -8.125 7.934 1.00 0.00 C ATOM 920 CG ARG A 56 -4.299 -9.284 7.169 1.00 0.00 C ATOM 921 CD ARG A 56 -4.168 -9.083 5.650 1.00 0.00 C ATOM 922 NE ARG A 56 -2.765 -9.167 5.223 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.301 -9.303 3.989 1.00 0.00 C ATOM 924 NH1 ARG A 56 -3.072 -9.370 2.926 1.00 0.00 N ATOM 925 NH2 ARG A 56 -1.004 -9.379 3.823 1.00 0.00 N ATOM 0 H ARG A 56 -2.815 -6.344 9.424 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.703 -8.391 9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.131 -7.194 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.598 -8.042 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.835 -10.228 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.352 -9.350 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.756 -9.838 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.578 -8.112 5.372 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.065 -9.114 5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.086 -9.317 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.656 -9.475 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.383 -9.333 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.615 -9.484 2.886 1.00 0.00 H new ATOM 939 N HIS A 57 -1.540 -9.366 9.898 1.00 0.00 N ATOM 940 CA HIS A 57 -0.654 -10.450 10.316 1.00 0.00 C ATOM 941 C HIS A 57 -0.917 -10.848 11.794 1.00 0.00 C ATOM 942 O HIS A 57 -1.015 -12.031 12.110 1.00 0.00 O ATOM 943 CB HIS A 57 0.808 -10.012 10.140 1.00 0.00 C ATOM 944 CG HIS A 57 1.771 -10.693 11.071 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.238 -11.989 11.007 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.239 -10.137 12.222 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.965 -12.208 12.115 1.00 0.00 C ATOM 948 NE2 HIS A 57 2.982 -11.107 12.875 1.00 0.00 N ATOM 0 H HIS A 57 -1.054 -8.517 9.609 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.853 -11.322 9.693 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.113 -10.208 9.112 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.874 -8.935 10.292 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.064 -9.127 12.563 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.462 -13.136 12.357 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.456 -11.001 13.772 1.00 0.00 H new ATOM 956 N GLN A 58 -1.108 -9.844 12.668 1.00 0.00 N ATOM 957 CA GLN A 58 -1.434 -10.086 14.093 1.00 0.00 C ATOM 958 C GLN A 58 -2.664 -11.017 14.243 1.00 0.00 C ATOM 959 O GLN A 58 -2.772 -11.749 15.230 1.00 0.00 O ATOM 960 CB GLN A 58 -1.682 -8.754 14.833 1.00 0.00 C ATOM 961 CG GLN A 58 -0.384 -7.990 15.181 1.00 0.00 C ATOM 962 CD GLN A 58 0.701 -8.864 15.822 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.442 -9.608 16.758 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.921 -8.798 15.320 1.00 0.00 N ATOM 0 H GLN A 58 -1.043 -8.857 12.417 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.575 -10.584 14.544 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.315 -8.117 14.215 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.233 -8.955 15.752 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.016 -7.541 14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.626 -7.173 15.860 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.118 -8.172 14.539 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.666 -9.373 15.713 1.00 0.00 H new ATOM 973 N ARG A 59 -3.603 -10.965 13.274 1.00 0.00 N ATOM 974 CA ARG A 59 -4.818 -11.810 13.328 1.00 0.00 C ATOM 975 C ARG A 59 -4.439 -13.298 13.470 1.00 0.00 C ATOM 976 O ARG A 59 -5.127 -14.054 14.150 1.00 0.00 O ATOM 977 CB ARG A 59 -5.666 -11.615 12.064 1.00 0.00 C ATOM 978 CG ARG A 59 -6.156 -10.170 11.889 1.00 0.00 C ATOM 979 CD ARG A 59 -7.049 -10.075 10.650 1.00 0.00 C ATOM 980 NE ARG A 59 -7.532 -8.706 10.408 1.00 0.00 N ATOM 981 CZ ARG A 59 -8.527 -8.094 11.039 1.00 0.00 C ATOM 982 NH1 ARG A 59 -9.171 -8.650 12.041 1.00 0.00 N ATOM 983 NH2 ARG A 59 -8.899 -6.889 10.673 1.00 0.00 N ATOM 0 H ARG A 59 -3.547 -10.357 12.457 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.400 -11.507 14.198 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.079 -11.902 11.191 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.527 -12.283 12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.709 -9.854 12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.305 -9.497 11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.493 -10.420 9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.903 -10.742 10.769 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.054 -8.173 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.911 -9.584 12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.930 -8.148 12.501 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.423 -6.421 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.664 -6.421 11.160 1.00 0.00 H new ATOM 997 N ARG A 60 -3.301 -13.688 12.867 1.00 0.00 N ATOM 998 CA ARG A 60 -2.747 -15.047 13.029 1.00 0.00 C ATOM 999 C ARG A 60 -2.479 -15.371 14.512 1.00 0.00 C ATOM 1000 O ARG A 60 -2.777 -16.467 14.976 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.433 -15.164 12.236 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.721 -16.514 12.363 1.00 0.00 C ATOM 1003 CD ARG A 60 0.594 -16.454 11.577 1.00 0.00 C ATOM 1004 NE ARG A 60 1.203 -17.786 11.449 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.121 -18.155 10.564 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.585 -17.348 9.634 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.608 -19.375 10.607 1.00 0.00 N ATOM 0 H ARG A 60 -2.746 -13.082 12.263 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.480 -15.759 12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.644 -14.978 11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.754 -14.379 12.568 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.524 -16.740 13.411 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.355 -17.313 11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.409 -16.040 10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.289 -15.781 12.079 1.00 0.00 H new ATOM 0 HE ARG A 60 0.888 -18.499 12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.239 -16.391 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.291 -17.680 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.280 -20.030 11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.314 -19.667 9.931 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.881 -14.416 15.236 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.472 -14.633 16.634 1.00 0.00 C ATOM 1023 C HIS A 61 -2.659 -14.477 17.593 1.00 0.00 C ATOM 1024 O HIS A 61 -2.661 -15.039 18.685 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.373 -13.631 17.014 1.00 0.00 C ATOM 1026 CG HIS A 61 0.900 -13.819 16.234 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.474 -15.030 15.906 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.717 -12.828 15.763 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.617 -14.769 15.255 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.799 -13.449 15.143 1.00 0.00 N ATOM 0 H HIS A 61 -1.669 -13.485 14.879 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.093 -15.651 16.720 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.743 -12.618 16.853 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.156 -13.726 18.078 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.554 -11.764 15.855 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.295 -15.519 14.875 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.584 -12.983 14.688 1.00 0.00 H new ATOM 1038 N THR A 62 -3.658 -13.692 17.177 1.00 0.00 N ATOM 1039 CA THR A 62 -4.831 -13.399 18.020 1.00 0.00 C ATOM 1040 C THR A 62 -6.021 -14.325 17.669 1.00 0.00 C ATOM 1041 O THR A 62 -7.061 -14.275 18.322 1.00 0.00 O ATOM 1042 CB THR A 62 -5.274 -11.937 17.842 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.506 -11.662 16.489 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.191 -10.938 18.261 1.00 0.00 C ATOM 0 H THR A 62 -3.681 -13.245 16.260 1.00 0.00 H new ATOM 0 HA THR A 62 -4.536 -13.573 19.055 1.00 0.00 H new ATOM 0 HB THR A 62 -6.164 -11.828 18.461 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.649 -11.560 16.024 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.557 -9.922 18.115 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.945 -11.087 19.312 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.299 -11.093 17.655 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.828 -15.206 16.665 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.852 -16.213 16.306 1.00 0.00 C ATOM 1054 C GLY A 63 -8.192 -15.588 15.851 1.00 0.00 C ATOM 1055 O GLY A 63 -9.206 -16.280 15.774 1.00 0.00 O ATOM 0 H GLY A 63 -4.984 -15.242 16.094 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.465 -16.846 15.508 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.033 -16.859 17.165 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.197 -14.272 15.600 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.445 -13.538 15.350 1.00 0.00 C ATOM 1061 C VAL A 64 -9.952 -13.773 13.910 1.00 0.00 C ATOM 1062 O VAL A 64 -9.196 -13.647 12.936 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.230 -12.026 15.604 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -8.463 -11.257 14.526 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -10.565 -11.324 15.883 1.00 0.00 C ATOM 0 H VAL A 64 -7.356 -13.696 15.565 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.204 -13.912 16.038 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.582 -12.005 16.480 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.377 -10.210 14.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.467 -11.685 14.413 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.998 -11.327 13.579 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.388 -10.263 16.058 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.226 -11.445 15.025 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.031 -11.765 16.764 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.251 -14.095 13.790 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.903 -14.279 12.480 1.00 0.00 C ATOM 1077 C LYS A 65 -13.250 -13.524 12.442 1.00 0.00 C ATOM 1078 O LYS A 65 -14.308 -14.118 12.644 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.138 -15.786 12.213 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.833 -16.512 11.882 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.990 -18.017 11.634 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.609 -18.674 11.473 1.00 0.00 C ATOM 1083 NZ LYS A 65 -8.828 -18.085 10.363 1.00 0.00 N ATOM 0 H LYS A 65 -11.873 -14.234 14.586 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.251 -13.876 11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.597 -16.244 13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.840 -15.904 11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.392 -16.054 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.130 -16.363 12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.525 -18.476 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.588 -18.185 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.050 -18.569 12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.737 -19.742 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.984 -18.666 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.414 -18.054 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.536 -17.120 10.618 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.206 -12.186 12.253 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.393 -11.342 12.323 1.00 0.00 C ATOM 1099 C PRO A 66 -15.161 -11.273 10.989 1.00 0.00 C ATOM 1100 O PRO A 66 -16.341 -10.925 10.968 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.830 -9.966 12.691 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.465 -9.941 11.999 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.996 -11.397 12.057 1.00 0.00 C ATOM 0 HA PRO A 66 -15.119 -11.729 13.038 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.474 -9.161 12.337 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.735 -9.847 13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.545 -9.588 10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.769 -9.276 12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.486 -11.682 11.137 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.290 -11.550 12.874 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.482 -11.597 9.877 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.095 -11.509 8.551 1.00 0.00 C ATOM 1113 C PHE A 67 -16.020 -12.710 8.298 1.00 0.00 C ATOM 1114 O PHE A 67 -15.590 -13.731 7.776 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.005 -11.449 7.462 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.137 -10.207 7.495 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.546 -9.039 6.824 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.903 -10.222 8.167 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.711 -7.907 6.808 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.067 -9.093 8.150 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.468 -7.934 7.464 1.00 0.00 C ATOM 0 H PHE A 67 -13.514 -11.920 9.874 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.690 -10.597 8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.364 -12.325 7.561 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.484 -11.514 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.501 -9.012 6.321 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.595 -11.109 8.701 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.026 -7.014 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.117 -9.116 8.664 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.824 -7.067 7.441 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.267 -12.605 8.760 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.205 -13.728 8.636 1.00 0.00 C ATOM 1133 C GLN A 68 -18.995 -13.648 7.324 1.00 0.00 C ATOM 1134 O GLN A 68 -19.382 -12.566 6.879 1.00 0.00 O ATOM 1135 CB GLN A 68 -19.185 -13.715 9.826 1.00 0.00 C ATOM 1136 CG GLN A 68 -20.139 -14.921 9.857 1.00 0.00 C ATOM 1137 CD GLN A 68 -21.048 -14.907 11.083 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.587 -14.920 12.216 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -22.361 -14.898 10.927 1.00 0.00 N ATOM 0 H GLN A 68 -17.647 -11.775 9.214 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.630 -14.654 8.635 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.614 -13.691 10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.774 -12.798 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.750 -14.922 8.954 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.557 -15.843 9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.763 -14.887 9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.972 -14.902 11.744 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.222 -14.819 6.712 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.951 -14.918 5.446 1.00 0.00 C ATOM 1150 C CYS A 69 -21.410 -14.456 5.621 1.00 0.00 C ATOM 1151 O CYS A 69 -21.991 -14.577 6.701 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.922 -16.368 4.935 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.916 -16.544 3.425 1.00 0.00 S ATOM 0 H CYS A 69 -18.907 -15.717 7.080 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.465 -14.269 4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.893 -16.666 4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.303 -17.037 5.706 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.231 -16.123 2.403 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.974 -13.892 4.548 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.376 -13.431 4.574 1.00 0.00 C ATOM 1160 C LYS A 70 -24.339 -14.594 4.246 1.00 0.00 C ATOM 1161 O LYS A 70 -25.555 -14.449 4.363 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.572 -12.293 3.552 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.354 -10.872 4.104 1.00 0.00 C ATOM 1164 CD LYS A 70 -21.947 -10.555 4.642 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.717 -10.958 6.105 1.00 0.00 C ATOM 1166 NZ LYS A 70 -22.582 -10.215 7.042 1.00 0.00 N ATOM 0 H LYS A 70 -21.494 -13.743 3.660 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.600 -13.064 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -22.886 -12.451 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.583 -12.358 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.586 -10.159 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.073 -10.703 4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.211 -11.063 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.766 -9.485 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.901 -12.027 6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.673 -10.785 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.203 -10.301 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.609 -9.212 6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.544 -10.608 7.012 1.00 0.00 H new ATOM 1180 N THR A 71 -23.774 -15.738 3.839 1.00 0.00 N ATOM 1181 CA THR A 71 -24.563 -16.882 3.359 1.00 0.00 C ATOM 1182 C THR A 71 -24.445 -18.074 4.329 1.00 0.00 C ATOM 1183 O THR A 71 -25.335 -18.294 5.154 1.00 0.00 O ATOM 1184 CB THR A 71 -24.092 -17.323 1.939 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.038 -16.520 1.439 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.230 -17.206 0.928 1.00 0.00 C ATOM 0 H THR A 71 -22.767 -15.897 3.832 1.00 0.00 H new ATOM 0 HA THR A 71 -25.605 -16.566 3.307 1.00 0.00 H new ATOM 0 HB THR A 71 -23.755 -18.353 2.056 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.256 -16.606 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.877 -17.519 -0.055 1.00 0.00 H new ATOM 0 HG22 THR A 71 -26.058 -17.844 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.568 -16.171 0.879 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.325 -18.817 4.249 1.00 0.00 N ATOM 1195 CA CYS A 72 -23.113 -20.005 5.092 1.00 0.00 C ATOM 1196 C CYS A 72 -22.619 -19.608 6.502 1.00 0.00 C ATOM 1197 O CYS A 72 -22.588 -20.440 7.412 1.00 0.00 O ATOM 1198 CB CYS A 72 -22.091 -20.926 4.432 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.470 -20.165 4.486 1.00 0.00 S ATOM 0 H CYS A 72 -22.556 -18.615 3.610 1.00 0.00 H new ATOM 0 HA CYS A 72 -24.066 -20.524 5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -22.069 -21.888 4.945 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.377 -21.122 3.399 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.564 -18.918 4.129 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.260 -18.322 6.666 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.805 -17.774 7.958 1.00 0.00 C ATOM 1206 C GLN A 73 -20.433 -18.364 8.374 1.00 0.00 C ATOM 1207 O GLN A 73 -20.097 -18.385 9.562 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.856 -18.051 9.067 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.317 -17.740 8.707 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.521 -16.321 8.187 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -24.174 -15.345 8.845 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -25.093 -16.176 7.006 1.00 0.00 N ATOM 0 H GLN A 73 -22.277 -17.636 5.911 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.689 -16.697 7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.788 -19.102 9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.588 -17.467 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.657 -18.449 7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.941 -17.890 9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.375 -16.998 6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.252 -15.242 6.628 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.597 -18.738 7.381 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.207 -19.121 7.649 1.00 0.00 C ATOM 1223 C ARG A 74 -17.381 -17.896 8.038 1.00 0.00 C ATOM 1224 O ARG A 74 -17.422 -16.871 7.360 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.590 -19.768 6.391 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.433 -21.295 6.410 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.442 -21.813 7.471 1.00 0.00 C ATOM 1228 NE ARG A 74 -15.198 -21.017 7.530 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.933 -21.418 7.573 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.572 -22.679 7.484 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -13.002 -20.514 7.752 1.00 0.00 N ATOM 0 H ARG A 74 -19.864 -18.780 6.397 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.199 -19.835 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.206 -19.500 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.607 -19.326 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.409 -21.748 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.102 -21.628 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.924 -21.799 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.193 -22.852 7.253 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.332 -20.006 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.280 -23.406 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.584 -22.931 7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.258 -19.532 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.021 -20.792 7.789 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.646 -18.002 9.147 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.821 -16.888 9.636 1.00 0.00 C ATOM 1247 C LYS A 75 -14.405 -16.932 9.022 1.00 0.00 C ATOM 1248 O LYS A 75 -13.842 -18.008 8.802 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.727 -16.948 11.168 1.00 0.00 C ATOM 1250 CG LYS A 75 -17.071 -16.569 11.809 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.975 -16.506 13.337 1.00 0.00 C ATOM 1252 CE LYS A 75 -18.313 -16.040 13.918 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.262 -15.964 15.392 1.00 0.00 N ATOM 0 H LYS A 75 -16.603 -18.843 9.723 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.293 -15.953 9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.439 -17.952 11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.948 -16.270 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.397 -15.602 11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.829 -17.298 11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.716 -17.487 13.736 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.180 -15.821 13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.568 -15.062 13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.103 -16.727 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.183 -15.646 15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.043 -16.903 15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.524 -15.289 15.680 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.840 -15.742 8.769 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.494 -15.603 8.189 1.00 0.00 C ATOM 1269 C PHE A 76 -11.749 -14.414 8.830 1.00 0.00 C ATOM 1270 O PHE A 76 -12.358 -13.578 9.499 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.602 -15.375 6.665 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.321 -16.461 5.897 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.667 -17.679 5.632 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.649 -16.263 5.473 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.348 -18.707 4.961 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.331 -17.295 4.808 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.680 -18.518 4.557 1.00 0.00 C ATOM 0 H PHE A 76 -14.300 -14.852 8.959 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.937 -16.519 8.386 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.116 -14.430 6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.596 -15.270 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.643 -17.822 5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.142 -15.320 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.848 -19.642 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.353 -17.151 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.207 -19.314 4.052 1.00 0.00 H new ATOM 1287 N SER A 77 -10.433 -14.331 8.586 1.00 0.00 N ATOM 1288 CA SER A 77 -9.604 -13.231 9.128 1.00 0.00 C ATOM 1289 C SER A 77 -9.261 -12.192 8.039 1.00 0.00 C ATOM 1290 O SER A 77 -8.628 -11.181 8.326 1.00 0.00 O ATOM 1291 CB SER A 77 -8.292 -13.795 9.711 1.00 0.00 C ATOM 1292 OG SER A 77 -8.469 -14.730 10.748 1.00 0.00 O ATOM 0 H SER A 77 -9.917 -15.005 8.021 1.00 0.00 H new ATOM 0 HA SER A 77 -10.182 -12.740 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.725 -14.265 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.689 -12.967 10.084 1.00 0.00 H new ATOM 0 HG SER A 77 -8.461 -14.266 11.611 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.642 -12.479 6.778 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.254 -11.633 5.633 1.00 0.00 C ATOM 1300 C ARG A 78 -10.392 -11.538 4.606 1.00 0.00 C ATOM 1301 O ARG A 78 -10.826 -12.549 4.051 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.996 -12.217 4.958 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.721 -12.065 5.810 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.522 -12.917 5.373 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.250 -12.885 3.926 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.061 -12.967 3.337 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.940 -12.713 3.971 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.999 -13.335 2.080 1.00 0.00 N ATOM 0 H ARG A 78 -10.215 -13.285 6.528 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.042 -10.631 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.161 -13.274 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.844 -11.723 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.422 -11.017 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.964 -12.316 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.635 -12.574 5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.696 -13.950 5.675 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.058 -12.790 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.960 -12.441 4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.049 -12.788 3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.855 -13.553 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.095 -13.403 1.613 1.00 0.00 H new ATOM 1322 N SER A 79 -10.870 -10.309 4.362 1.00 0.00 N ATOM 1323 CA SER A 79 -11.999 -10.075 3.438 1.00 0.00 C ATOM 1324 C SER A 79 -11.678 -10.528 1.989 1.00 0.00 C ATOM 1325 O SER A 79 -12.589 -10.793 1.207 1.00 0.00 O ATOM 1326 CB SER A 79 -12.355 -8.584 3.426 1.00 0.00 C ATOM 1327 OG SER A 79 -11.188 -7.789 3.311 1.00 0.00 O ATOM 0 H SER A 79 -10.496 -9.461 4.788 1.00 0.00 H new ATOM 0 HA SER A 79 -12.839 -10.669 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.028 -8.373 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.888 -8.325 4.341 1.00 0.00 H new ATOM 0 HG SER A 79 -11.437 -6.841 3.303 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.383 -10.650 1.653 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.984 -11.161 0.329 1.00 0.00 C ATOM 1335 C ASP A 80 -10.289 -12.679 0.211 1.00 0.00 C ATOM 1336 O ASP A 80 -10.801 -13.142 -0.818 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.484 -10.890 0.078 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.460 -11.215 1.172 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.535 -12.317 1.753 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.588 -10.346 1.397 1.00 0.00 O ATOM 0 H ASP A 80 -9.606 -10.407 2.267 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.564 -10.637 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.197 -11.448 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.380 -9.832 -0.162 1.00 0.00 H new ATOM 1345 N HIS A 81 -10.081 -13.413 1.314 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.460 -14.824 1.388 1.00 0.00 C ATOM 1347 C HIS A 81 -11.979 -14.969 1.514 1.00 0.00 C ATOM 1348 O HIS A 81 -12.551 -15.931 1.023 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.783 -15.491 2.590 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.279 -15.547 2.552 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.492 -15.781 3.649 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.449 -15.376 1.474 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.213 -15.761 3.248 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.136 -15.461 1.941 1.00 0.00 N ATOM 0 H HIS A 81 -9.652 -13.049 2.165 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.133 -15.313 0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.084 -14.960 3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.163 -16.509 2.677 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.821 -15.942 4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.755 -15.207 0.452 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.364 -15.958 3.886 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.632 -13.986 2.159 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.096 -13.987 2.289 1.00 0.00 C ATOM 1364 C LEU A 82 -14.766 -13.785 0.922 1.00 0.00 C ATOM 1365 O LEU A 82 -15.662 -14.538 0.549 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.539 -12.881 3.251 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.060 -12.897 3.530 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.278 -12.365 4.938 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.892 -12.019 2.583 1.00 0.00 C ATOM 0 H LEU A 82 -12.171 -13.187 2.595 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.402 -14.955 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.001 -12.989 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.262 -11.912 2.835 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.390 -13.926 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.344 -12.364 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.755 -13.001 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.891 -11.348 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.946 -12.091 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.566 -10.982 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.755 -12.360 1.557 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.294 -12.784 0.158 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.790 -12.548 -1.211 1.00 0.00 C ATOM 1383 C LYS A 83 -14.478 -13.748 -2.106 1.00 0.00 C ATOM 1384 O LYS A 83 -15.290 -14.142 -2.932 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.138 -11.285 -1.795 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.829 -10.823 -3.093 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.960 -9.938 -3.998 1.00 0.00 C ATOM 1388 CE LYS A 83 -13.501 -8.635 -3.338 1.00 0.00 C ATOM 1389 NZ LYS A 83 -12.327 -8.843 -2.465 1.00 0.00 N ATOM 0 H LYS A 83 -13.574 -12.129 0.462 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.870 -12.410 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.178 -10.483 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.085 -11.481 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.140 -11.703 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.735 -10.275 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.082 -10.505 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.521 -9.698 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.255 -7.905 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.320 -8.217 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.715 -8.003 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.645 -9.000 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.793 -9.673 -2.793 1.00 0.00 H new ATOM 1403 N THR A 84 -13.308 -14.354 -1.898 1.00 0.00 N ATOM 1404 CA THR A 84 -12.930 -15.565 -2.621 1.00 0.00 C ATOM 1405 C THR A 84 -13.894 -16.723 -2.280 1.00 0.00 C ATOM 1406 O THR A 84 -14.527 -17.295 -3.169 1.00 0.00 O ATOM 1407 CB THR A 84 -11.501 -15.980 -2.243 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.612 -14.963 -2.653 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.013 -17.300 -2.811 1.00 0.00 C ATOM 0 H THR A 84 -12.607 -14.024 -1.234 1.00 0.00 H new ATOM 0 HA THR A 84 -12.983 -15.353 -3.689 1.00 0.00 H new ATOM 0 HB THR A 84 -11.525 -16.123 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.879 -14.112 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.993 -17.485 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.661 -18.106 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.035 -17.258 -3.900 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.119 -16.938 -0.978 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.040 -17.973 -0.497 1.00 0.00 C ATOM 1419 C HIS A 85 -16.490 -17.673 -0.937 1.00 0.00 C ATOM 1420 O HIS A 85 -17.249 -18.586 -1.245 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.963 -18.052 1.037 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.203 -18.594 1.674 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.607 -19.913 1.725 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.230 -17.806 2.102 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.886 -19.910 2.144 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.286 -18.653 2.378 1.00 0.00 N ATOM 0 H HIS A 85 -13.671 -16.403 -0.234 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.746 -18.929 -0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.117 -18.679 1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.767 -17.056 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.220 -16.731 2.205 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.499 -20.790 2.272 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.210 -18.370 2.704 1.00 0.00 H new ATOM 1434 N THR A 86 -16.819 -16.385 -1.052 1.00 0.00 N ATOM 1435 CA THR A 86 -18.141 -15.937 -1.529 1.00 0.00 C ATOM 1436 C THR A 86 -18.471 -16.574 -2.891 1.00 0.00 C ATOM 1437 O THR A 86 -19.621 -16.978 -3.143 1.00 0.00 O ATOM 1438 CB THR A 86 -18.186 -14.404 -1.659 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.944 -13.823 -0.399 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.500 -13.791 -2.114 1.00 0.00 C ATOM 0 H THR A 86 -16.184 -15.621 -0.820 1.00 0.00 H new ATOM 0 HA THR A 86 -18.882 -16.253 -0.795 1.00 0.00 H new ATOM 0 HB THR A 86 -17.438 -14.201 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.995 -13.914 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.398 -12.707 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.760 -14.177 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.287 -14.049 -1.405 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.444 -16.699 -3.758 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.623 -17.246 -5.114 1.00 0.00 C ATOM 1450 C ARG A 87 -18.131 -18.699 -5.059 1.00 0.00 C ATOM 1451 O ARG A 87 -18.759 -19.170 -6.000 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.291 -17.199 -5.881 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.728 -15.780 -6.040 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.454 -15.783 -6.888 1.00 0.00 C ATOM 1455 NE ARG A 87 -14.023 -14.410 -7.189 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.792 -13.923 -7.136 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -11.733 -14.669 -6.899 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -12.606 -12.639 -7.340 1.00 0.00 N ATOM 0 H ARG A 87 -16.485 -16.428 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.364 -16.636 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.559 -17.816 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.433 -17.638 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.477 -15.139 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.514 -15.359 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.660 -16.310 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.631 -16.325 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.755 -13.758 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.840 -15.672 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.806 -14.244 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.403 -12.033 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.665 -12.248 -7.303 1.00 0.00 H new ATOM 1472 N THR A 88 -17.890 -19.380 -3.924 1.00 0.00 N ATOM 1473 CA THR A 88 -18.399 -20.754 -3.702 1.00 0.00 C ATOM 1474 C THR A 88 -19.921 -20.820 -3.902 1.00 0.00 C ATOM 1475 O THR A 88 -20.427 -21.746 -4.529 1.00 0.00 O ATOM 1476 CB THR A 88 -18.082 -21.234 -2.268 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.738 -20.999 -1.938 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.385 -22.710 -2.034 1.00 0.00 C ATOM 0 H THR A 88 -17.348 -19.006 -3.145 1.00 0.00 H new ATOM 0 HA THR A 88 -17.903 -21.397 -4.429 1.00 0.00 H new ATOM 0 HB THR A 88 -18.741 -20.651 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.636 -20.078 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 88 -18.137 -22.974 -1.006 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.444 -22.897 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.790 -23.316 -2.717 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.648 -19.817 -3.374 1.00 0.00 N ATOM 1487 CA HIS A 89 -22.119 -19.775 -3.501 1.00 0.00 C ATOM 1488 C HIS A 89 -22.533 -19.079 -4.802 1.00 0.00 C ATOM 1489 O HIS A 89 -23.652 -19.246 -5.276 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.740 -19.027 -2.306 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.941 -18.969 -1.035 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -20.971 -18.032 -0.785 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -22.160 -19.674 0.118 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -20.623 -18.153 0.506 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.320 -19.141 1.098 1.00 0.00 N ATOM 0 H HIS A 89 -20.247 -19.032 -2.860 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.483 -20.802 -3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.948 -18.004 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.700 -19.492 -2.080 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -20.586 -17.367 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.854 -20.491 0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -19.884 -17.541 1.002 1.00 0.00 H new ATOM 1503 N THR A 90 -21.627 -18.261 -5.346 1.00 0.00 N ATOM 1504 CA THR A 90 -21.924 -17.419 -6.514 1.00 0.00 C ATOM 1505 C THR A 90 -21.563 -18.144 -7.833 1.00 0.00 C ATOM 1506 O THR A 90 -21.790 -17.616 -8.918 1.00 0.00 O ATOM 1507 CB THR A 90 -21.113 -16.103 -6.436 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.102 -15.580 -5.116 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.612 -14.959 -7.309 1.00 0.00 C ATOM 0 H THR A 90 -20.675 -18.162 -4.995 1.00 0.00 H new ATOM 0 HA THR A 90 -22.993 -17.206 -6.506 1.00 0.00 H new ATOM 0 HB THR A 90 -20.132 -16.416 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.507 -16.120 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.968 -14.090 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.593 -15.265 -8.355 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.633 -14.703 -7.025 1.00 0.00 H new ATOM 1517 N GLY A 91 -20.993 -19.359 -7.714 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.503 -20.109 -8.892 1.00 0.00 C ATOM 1519 C GLY A 91 -19.543 -19.268 -9.770 1.00 0.00 C ATOM 1520 O GLY A 91 -19.369 -19.547 -10.957 1.00 0.00 O ATOM 0 H GLY A 91 -20.860 -19.840 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.989 -21.010 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.353 -20.431 -9.494 1.00 0.00 H new ATOM 1524 N GLU A 92 -18.968 -18.210 -9.180 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.215 -17.207 -9.934 1.00 0.00 C ATOM 1526 C GLU A 92 -16.812 -17.721 -10.285 1.00 0.00 C ATOM 1527 O GLU A 92 -15.864 -17.539 -9.522 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.114 -15.911 -9.109 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.475 -14.721 -9.837 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.404 -13.496 -8.917 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.480 -12.921 -8.645 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.278 -13.163 -8.480 1.00 0.00 O ATOM 0 H GLU A 92 -19.013 -18.030 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.742 -17.005 -10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.116 -15.625 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.537 -16.117 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.473 -14.989 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.055 -14.480 -10.728 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.704 -18.396 -11.438 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.424 -18.956 -11.901 1.00 0.00 C ATOM 1541 C LYS A 93 -14.929 -18.220 -13.174 1.00 0.00 C ATOM 1542 O LYS A 93 -15.134 -18.696 -14.291 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.592 -20.460 -12.198 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.963 -21.274 -10.944 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.281 -22.746 -11.245 1.00 0.00 C ATOM 1546 CE LYS A 93 -17.469 -22.955 -12.196 1.00 0.00 C ATOM 1547 NZ LYS A 93 -18.736 -22.435 -11.639 1.00 0.00 N ATOM 0 H LYS A 93 -17.487 -18.568 -12.068 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.681 -18.820 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.365 -20.593 -12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.665 -20.849 -12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.139 -21.226 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.827 -20.814 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -15.397 -23.215 -11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.487 -23.260 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.262 -22.460 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.578 -24.019 -12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.516 -22.645 -12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.924 -22.888 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.661 -21.406 -11.508 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.298 -17.031 -13.010 1.00 0.00 N ATOM 1562 CA PRO A 94 -13.843 -16.218 -14.132 1.00 0.00 C ATOM 1563 C PRO A 94 -12.469 -16.660 -14.677 1.00 0.00 C ATOM 1564 O PRO A 94 -12.109 -16.321 -15.805 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.757 -14.807 -13.537 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.337 -15.063 -12.087 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.069 -16.360 -11.739 1.00 0.00 C ATOM 0 HA PRO A 94 -14.516 -16.299 -14.985 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.028 -14.191 -14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.714 -14.287 -13.593 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.257 -15.172 -11.993 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.633 -14.244 -11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.472 -16.980 -11.070 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.010 -16.155 -11.229 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.695 -17.399 -13.861 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.343 -17.817 -14.256 1.00 0.00 C ATOM 1577 C PHE A 95 -10.401 -19.044 -15.185 1.00 0.00 C ATOM 1578 O PHE A 95 -10.129 -20.166 -14.768 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.499 -18.134 -13.014 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.320 -16.958 -12.084 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.390 -15.945 -12.386 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.103 -16.869 -10.924 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.242 -14.843 -11.523 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -9.963 -15.762 -10.067 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.034 -14.750 -10.364 1.00 0.00 C ATOM 0 H PHE A 95 -11.981 -17.715 -12.934 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.877 -16.995 -14.799 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.968 -18.951 -12.466 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.518 -18.486 -13.333 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.789 -16.014 -13.281 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.812 -17.649 -10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.522 -14.071 -11.750 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.572 -15.690 -9.178 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.928 -13.902 -9.703 1.00 0.00 H new ATOM 1595 N SER A 96 -10.740 -18.804 -16.454 1.00 0.00 N ATOM 1596 CA SER A 96 -10.781 -19.863 -17.471 1.00 0.00 C ATOM 1597 C SER A 96 -9.382 -20.190 -17.964 1.00 0.00 C ATOM 1598 O SER A 96 -8.551 -19.297 -18.138 1.00 0.00 O ATOM 1599 CB SER A 96 -11.636 -19.411 -18.661 1.00 0.00 C ATOM 1600 OG SER A 96 -11.688 -20.402 -19.677 1.00 0.00 O ATOM 0 H SER A 96 -10.992 -17.880 -16.805 1.00 0.00 H new ATOM 0 HA SER A 96 -11.216 -20.753 -17.017 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.646 -19.187 -18.319 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.227 -18.488 -19.073 1.00 0.00 H new ATOM 0 HG SER A 96 -10.824 -20.444 -20.137 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.157 -21.461 -18.290 1.00 0.00 N ATOM 1607 CA CYS A 97 -7.947 -21.867 -18.964 1.00 0.00 C ATOM 1608 C CYS A 97 -7.951 -21.353 -20.403 1.00 0.00 C ATOM 1609 O CYS A 97 -9.013 -21.037 -20.964 1.00 0.00 O ATOM 1610 CB CYS A 97 -7.826 -23.397 -18.954 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.149 -23.937 -19.320 1.00 0.00 S ATOM 0 H CYS A 97 -9.806 -22.223 -18.093 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.092 -21.442 -18.439 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.126 -23.779 -17.978 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.512 -23.821 -19.687 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.396 -23.752 -18.277 1.00 0.00 H new ATOM 1616 N ARG A 98 -6.752 -21.198 -20.963 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.570 -20.632 -22.305 1.00 0.00 C ATOM 1618 C ARG A 98 -5.775 -21.599 -23.199 1.00 0.00 C ATOM 1619 O ARG A 98 -5.388 -21.250 -24.313 1.00 0.00 O ATOM 1620 CB ARG A 98 -5.827 -19.278 -22.202 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.735 -18.041 -22.060 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.473 -17.888 -20.722 1.00 0.00 C ATOM 1623 NE ARG A 98 -8.106 -16.558 -20.638 1.00 0.00 N ATOM 1624 CZ ARG A 98 -8.647 -15.975 -19.572 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -8.762 -16.562 -18.403 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -9.098 -14.744 -19.671 1.00 0.00 N ATOM 0 H ARG A 98 -5.880 -21.459 -20.503 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.551 -20.475 -22.754 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.154 -19.315 -21.345 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.207 -19.154 -23.090 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.127 -17.150 -22.219 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.476 -18.068 -22.859 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.230 -18.666 -20.625 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.774 -18.019 -19.896 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.132 -16.019 -21.504 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.427 -17.517 -18.277 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.187 -16.063 -17.621 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.031 -14.246 -20.559 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.515 -14.287 -18.860 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.536 -22.817 -22.695 1.00 0.00 N ATOM 1641 CA TRP A 99 -4.807 -23.833 -23.443 1.00 0.00 C ATOM 1642 C TRP A 99 -5.584 -24.233 -24.722 1.00 0.00 C ATOM 1643 O TRP A 99 -6.812 -24.148 -24.765 1.00 0.00 O ATOM 1644 CB TRP A 99 -4.579 -25.066 -22.553 1.00 0.00 C ATOM 1645 CG TRP A 99 -3.331 -24.942 -21.724 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -3.153 -24.070 -20.708 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -2.052 -25.634 -21.872 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -1.886 -24.204 -20.181 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.157 -25.147 -20.871 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -1.548 -26.617 -22.756 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 0.160 -25.614 -20.744 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -0.225 -27.087 -22.643 1.00 0.00 C ATOM 1653 CH2 TRP A 99 0.626 -26.593 -21.638 1.00 0.00 C ATOM 0 H TRP A 99 -5.841 -23.117 -21.769 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.843 -23.423 -23.744 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.438 -25.202 -21.896 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -4.511 -25.956 -23.178 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.896 -23.369 -20.359 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.534 -23.674 -19.384 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.188 -27.014 -23.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.806 -25.227 -19.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 0.139 -27.833 -23.334 1.00 0.00 H new ATOM 0 HH2 TRP A 99 1.636 -26.966 -21.553 1.00 0.00 H new ATOM 1664 N PRO A 100 -4.860 -24.668 -25.781 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.459 -24.944 -27.099 1.00 0.00 C ATOM 1666 C PRO A 100 -6.365 -26.198 -27.109 1.00 0.00 C ATOM 1667 O PRO A 100 -6.871 -26.594 -28.157 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.241 -25.145 -28.016 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.125 -25.606 -27.079 1.00 0.00 C ATOM 1670 CD PRO A 100 -3.413 -24.816 -25.806 1.00 0.00 C ATOM 0 HA PRO A 100 -6.118 -24.134 -27.412 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.444 -25.888 -28.787 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.973 -24.220 -28.527 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.160 -26.682 -26.905 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.138 -25.380 -27.482 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.054 -25.344 -24.923 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.916 -23.846 -25.821 1.00 0.00 H new ATOM 1678 N SER A 101 -6.572 -26.802 -25.932 1.00 0.00 N ATOM 1679 CA SER A 101 -7.444 -27.972 -25.799 1.00 0.00 C ATOM 1680 C SER A 101 -8.156 -27.973 -24.430 1.00 0.00 C ATOM 1681 O SER A 101 -8.339 -29.030 -23.821 1.00 0.00 O ATOM 1682 CB SER A 101 -6.616 -29.260 -25.959 1.00 0.00 C ATOM 1683 OG SER A 101 -5.824 -29.504 -24.813 1.00 0.00 O ATOM 0 H SER A 101 -6.145 -26.497 -25.057 1.00 0.00 H new ATOM 0 HA SER A 101 -8.202 -27.928 -26.581 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.283 -30.105 -26.130 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.975 -29.177 -26.837 1.00 0.00 H new ATOM 0 HG SER A 101 -5.310 -30.328 -24.940 1.00 0.00 H new ATOM 1689 N CYS A 102 -8.525 -26.773 -23.941 1.00 0.00 N ATOM 1690 CA CYS A 102 -9.199 -26.639 -22.648 1.00 0.00 C ATOM 1691 C CYS A 102 -10.217 -25.481 -22.664 1.00 0.00 C ATOM 1692 O CYS A 102 -10.182 -24.612 -23.537 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.163 -26.396 -21.544 1.00 0.00 C ATOM 1694 SG CYS A 102 -8.970 -26.543 -19.925 1.00 0.00 S ATOM 0 H CYS A 102 -8.366 -25.889 -24.425 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.738 -27.566 -22.452 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.351 -27.118 -21.626 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -7.721 -25.406 -21.655 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.067 -26.553 -18.990 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.086 -25.469 -21.651 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.028 -24.368 -21.423 1.00 0.00 C ATOM 1701 C GLN A 103 -12.536 -24.388 -19.954 1.00 0.00 C ATOM 1702 O GLN A 103 -13.613 -23.862 -19.650 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.224 -24.485 -22.396 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.079 -25.762 -22.230 1.00 0.00 C ATOM 1705 CD GLN A 103 -15.556 -25.469 -21.966 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -16.438 -25.876 -22.705 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -15.881 -24.756 -20.904 1.00 0.00 N ATOM 0 H GLN A 103 -11.158 -26.221 -20.965 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.513 -23.424 -21.603 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.867 -23.615 -22.263 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.846 -24.449 -23.418 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.991 -26.370 -23.131 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.680 -26.354 -21.406 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.153 -24.411 -20.279 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.861 -24.550 -20.708 1.00 0.00 H new ATOM 1716 N LYS A 104 -11.765 -25.043 -19.063 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.161 -25.209 -17.657 1.00 0.00 C ATOM 1718 C LYS A 104 -11.920 -23.923 -16.890 1.00 0.00 C ATOM 1719 O LYS A 104 -11.017 -23.162 -17.219 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.359 -26.359 -17.021 1.00 0.00 C ATOM 1721 CG LYS A 104 -11.928 -27.707 -17.503 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.035 -28.915 -17.191 1.00 0.00 C ATOM 1723 CE LYS A 104 -9.848 -28.970 -18.158 1.00 0.00 C ATOM 1724 NZ LYS A 104 -9.127 -30.255 -18.072 1.00 0.00 N ATOM 0 H LYS A 104 -10.866 -25.464 -19.296 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.224 -25.448 -17.615 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.307 -26.278 -17.294 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.412 -26.297 -15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.904 -27.862 -17.042 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.088 -27.657 -18.580 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.673 -28.851 -16.165 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.617 -29.834 -17.267 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.203 -28.821 -19.178 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.161 -28.153 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.331 -30.252 -18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.766 -30.386 -17.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.775 -31.033 -18.308 1.00 0.00 H new ATOM 1738 N LYS A 105 -12.776 -23.650 -15.900 1.00 0.00 N ATOM 1739 CA LYS A 105 -12.775 -22.350 -15.223 1.00 0.00 C ATOM 1740 C LYS A 105 -12.705 -22.514 -13.717 1.00 0.00 C ATOM 1741 O LYS A 105 -13.303 -23.426 -13.150 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.037 -21.558 -15.604 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.348 -21.622 -17.110 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.288 -20.504 -17.578 1.00 0.00 C ATOM 1745 CE LYS A 105 -15.763 -20.723 -19.024 1.00 0.00 C ATOM 1746 NZ LYS A 105 -14.654 -21.011 -19.961 1.00 0.00 N ATOM 0 H LYS A 105 -13.474 -24.307 -15.552 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.890 -21.802 -15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.888 -21.948 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.911 -20.517 -15.307 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.415 -21.563 -17.670 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.798 -22.587 -17.341 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.152 -20.455 -16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.776 -19.545 -17.505 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.473 -21.550 -19.046 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.297 -19.835 -19.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.914 -20.691 -20.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.797 -20.511 -19.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.470 -22.035 -19.977 1.00 0.00 H new ATOM 1760 N PHE A 106 -11.981 -21.598 -13.073 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.782 -21.625 -11.620 1.00 0.00 C ATOM 1762 C PHE A 106 -12.175 -20.293 -11.000 1.00 0.00 C ATOM 1763 O PHE A 106 -12.266 -19.278 -11.690 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.310 -21.929 -11.305 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.869 -23.238 -11.933 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.087 -24.453 -11.258 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.396 -23.250 -13.259 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -9.869 -25.674 -11.921 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.209 -24.465 -13.934 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.456 -25.679 -13.265 1.00 0.00 C ATOM 0 H PHE A 106 -11.517 -20.819 -13.540 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.415 -22.405 -11.197 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.682 -21.117 -11.673 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.170 -21.976 -10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.422 -24.448 -10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.176 -22.318 -13.759 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.019 -26.607 -11.398 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.877 -24.469 -14.962 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.328 -26.617 -13.786 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.436 -20.303 -9.691 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.830 -19.094 -8.975 1.00 0.00 C ATOM 1782 C ALA A 107 -11.618 -18.435 -8.286 1.00 0.00 C ATOM 1783 O ALA A 107 -11.759 -17.406 -7.621 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.898 -19.445 -7.932 1.00 0.00 C ATOM 0 H ALA A 107 -12.381 -21.138 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.236 -18.382 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.194 -18.543 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.768 -19.872 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.493 -20.170 -7.226 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.424 -19.021 -8.479 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.190 -18.469 -7.924 1.00 0.00 C ATOM 1792 C ARG A 108 -8.079 -18.460 -8.973 1.00 0.00 C ATOM 1793 O ARG A 108 -7.891 -19.434 -9.717 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.751 -19.290 -6.715 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.673 -19.121 -5.503 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.450 -20.211 -4.453 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.031 -20.314 -4.088 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.511 -20.387 -2.874 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.262 -20.481 -1.803 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.213 -20.332 -2.753 1.00 0.00 N ATOM 0 H ARG A 108 -10.294 -19.878 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.382 -17.442 -7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.716 -20.343 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.738 -19.000 -6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.502 -18.144 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.712 -19.143 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.042 -19.990 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.799 -21.169 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.368 -20.331 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.278 -20.500 -1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.830 -20.536 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.627 -20.235 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.784 -20.386 -1.829 1.00 0.00 H new ATOM 1814 N SER A 109 -7.316 -17.371 -8.998 1.00 0.00 N ATOM 1815 CA SER A 109 -6.211 -17.218 -9.930 1.00 0.00 C ATOM 1816 C SER A 109 -5.177 -18.339 -9.744 1.00 0.00 C ATOM 1817 O SER A 109 -4.736 -18.944 -10.713 1.00 0.00 O ATOM 1818 CB SER A 109 -5.538 -15.843 -9.723 1.00 0.00 C ATOM 1819 OG SER A 109 -5.448 -15.501 -8.352 1.00 0.00 O ATOM 0 H SER A 109 -7.448 -16.575 -8.374 1.00 0.00 H new ATOM 0 HA SER A 109 -6.605 -17.280 -10.944 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.539 -15.858 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.106 -15.077 -10.252 1.00 0.00 H new ATOM 0 HG SER A 109 -5.016 -14.626 -8.261 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.844 -18.651 -8.481 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.885 -19.724 -8.174 1.00 0.00 C ATOM 1827 C ASP A 110 -4.452 -21.124 -8.549 1.00 0.00 C ATOM 1828 O ASP A 110 -3.702 -22.003 -8.964 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.499 -19.689 -6.691 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.619 -19.486 -5.673 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.656 -20.178 -5.760 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.407 -18.653 -4.765 1.00 0.00 O ATOM 0 H ASP A 110 -5.222 -18.178 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.994 -19.552 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.995 -20.626 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.770 -18.890 -6.552 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.778 -21.317 -8.408 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.419 -22.575 -8.836 1.00 0.00 C ATOM 1839 C GLU A 111 -6.218 -22.786 -10.335 1.00 0.00 C ATOM 1840 O GLU A 111 -5.878 -23.887 -10.771 1.00 0.00 O ATOM 1841 CB GLU A 111 -7.928 -22.561 -8.516 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.267 -22.988 -7.078 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.782 -23.003 -6.785 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.552 -22.393 -7.566 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.147 -23.590 -5.744 1.00 0.00 O ATOM 0 H GLU A 111 -6.417 -20.630 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.953 -23.394 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.316 -21.557 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.443 -23.224 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.859 -23.982 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.776 -22.310 -6.380 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.352 -21.700 -11.120 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.064 -21.752 -12.555 1.00 0.00 C ATOM 1854 C LEU A 112 -4.551 -21.984 -12.810 1.00 0.00 C ATOM 1855 O LEU A 112 -4.181 -22.764 -13.684 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.519 -20.455 -13.238 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.184 -20.445 -14.746 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -6.865 -21.591 -15.499 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.580 -19.122 -15.401 1.00 0.00 C ATOM 0 H LEU A 112 -6.655 -20.786 -10.783 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.616 -22.590 -12.980 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.594 -20.333 -13.105 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.040 -19.604 -12.755 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.104 -20.575 -14.811 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.599 -21.541 -16.555 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.535 -22.544 -15.086 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.946 -21.504 -15.393 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.329 -19.152 -16.461 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.653 -18.966 -15.286 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.041 -18.304 -14.923 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.686 -21.322 -12.017 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.217 -21.522 -12.126 1.00 0.00 C ATOM 1873 C VAL A 113 -1.863 -23.001 -11.903 1.00 0.00 C ATOM 1874 O VAL A 113 -1.107 -23.590 -12.677 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.471 -20.645 -11.085 1.00 0.00 C ATOM 1876 CG1 VAL A 113 0.028 -20.978 -10.993 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.561 -19.144 -11.382 1.00 0.00 C ATOM 0 H VAL A 113 -3.968 -20.652 -11.302 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.905 -21.226 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.978 -20.875 -10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.499 -20.334 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.152 -22.021 -10.700 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.497 -20.815 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.019 -18.589 -10.617 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.122 -18.939 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.606 -18.835 -11.382 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.468 -23.608 -10.871 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.290 -25.037 -10.602 1.00 0.00 C ATOM 1889 C ARG A 114 -2.853 -25.871 -11.757 1.00 0.00 C ATOM 1890 O ARG A 114 -2.182 -26.766 -12.261 1.00 0.00 O ATOM 1891 CB ARG A 114 -2.998 -25.414 -9.287 1.00 0.00 C ATOM 1892 CG ARG A 114 -2.817 -26.896 -8.913 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.474 -27.231 -7.568 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.739 -26.633 -6.442 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.051 -26.717 -5.155 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.137 -27.329 -4.732 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.257 -26.169 -4.266 1.00 0.00 N ATOM 0 H ARG A 114 -3.083 -23.130 -10.212 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.224 -25.246 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.611 -24.791 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.062 -25.195 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.248 -27.523 -9.694 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.754 -27.131 -8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.502 -26.870 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.516 -28.313 -7.442 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.902 -26.098 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.773 -27.760 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.342 -27.372 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.411 -25.685 -4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.486 -26.227 -3.274 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.070 -25.534 -12.204 1.00 0.00 N ATOM 1912 CA HIS A 115 -4.705 -26.251 -13.313 1.00 0.00 C ATOM 1913 C HIS A 115 -3.800 -26.264 -14.554 1.00 0.00 C ATOM 1914 O HIS A 115 -3.589 -27.308 -15.161 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.042 -25.601 -13.661 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.605 -26.230 -14.904 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -6.994 -27.546 -15.014 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -6.587 -25.684 -16.163 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.216 -27.780 -16.315 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.020 -26.669 -17.031 1.00 0.00 N ATOM 0 H HIS A 115 -4.630 -24.774 -11.817 1.00 0.00 H new ATOM 0 HA HIS A 115 -4.872 -27.280 -12.996 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.741 -25.720 -12.833 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.908 -24.530 -13.813 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.094 -28.215 -14.251 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.292 -24.679 -16.425 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.512 -28.733 -16.727 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.234 -25.104 -14.894 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.308 -25.000 -16.027 1.00 0.00 C ATOM 1930 C HIS A 116 -1.109 -25.962 -15.849 1.00 0.00 C ATOM 1931 O HIS A 116 -0.618 -26.532 -16.822 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.801 -23.558 -16.162 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.770 -22.554 -16.748 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -3.839 -22.777 -17.600 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.623 -21.197 -16.636 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.296 -21.576 -17.993 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.594 -20.584 -17.430 1.00 0.00 N ATOM 0 H HIS A 116 -3.399 -24.225 -14.403 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.845 -25.280 -16.933 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.502 -23.207 -15.174 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -0.904 -23.568 -16.781 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.883 -20.688 -16.036 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.121 -21.430 -18.674 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -3.740 -19.582 -17.556 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.682 -26.175 -14.590 1.00 0.00 N ATOM 1946 CA ASN A 117 0.428 -27.089 -14.291 1.00 0.00 C ATOM 1947 C ASN A 117 0.041 -28.564 -14.599 1.00 0.00 C ATOM 1948 O ASN A 117 0.915 -29.413 -14.772 1.00 0.00 O ATOM 1949 CB ASN A 117 0.832 -26.955 -12.806 1.00 0.00 C ATOM 1950 CG ASN A 117 2.277 -27.337 -12.500 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.958 -26.667 -11.743 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.796 -28.414 -13.052 1.00 0.00 N ATOM 0 H ASN A 117 -1.089 -25.727 -13.769 1.00 0.00 H new ATOM 0 HA ASN A 117 1.271 -26.818 -14.926 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.669 -25.924 -12.491 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.171 -27.580 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.759 -28.680 -12.845 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.235 -28.982 -13.687 1.00 0.00 H new ATOM 1959 N MET A 118 -1.272 -28.840 -14.699 1.00 0.00 N ATOM 1960 CA MET A 118 -1.763 -30.178 -15.073 1.00 0.00 C ATOM 1961 C MET A 118 -1.627 -30.410 -16.593 1.00 0.00 C ATOM 1962 O MET A 118 -1.624 -31.550 -17.052 1.00 0.00 O ATOM 1963 CB MET A 118 -3.239 -30.341 -14.661 1.00 0.00 C ATOM 1964 CG MET A 118 -3.541 -30.011 -13.194 1.00 0.00 C ATOM 1965 SD MET A 118 -5.302 -30.129 -12.770 1.00 0.00 S ATOM 1966 CE MET A 118 -5.232 -29.629 -11.030 1.00 0.00 C ATOM 0 H MET A 118 -2.009 -28.157 -14.527 1.00 0.00 H new ATOM 0 HA MET A 118 -1.156 -30.916 -14.548 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.851 -29.700 -15.296 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.544 -31.369 -14.857 1.00 0.00 H new ATOM 0 HG2 MET A 118 -2.976 -30.689 -12.554 1.00 0.00 H new ATOM 0 HG3 MET A 118 -3.191 -29.002 -12.978 1.00 0.00 H new ATOM 0 HE1 MET A 118 -6.228 -29.696 -10.592 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.552 -30.288 -10.489 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.874 -28.602 -10.961 1.00 0.00 H new ATOM 1976 N HIS A 119 -1.492 -29.315 -17.363 1.00 0.00 N ATOM 1977 CA HIS A 119 -1.295 -29.403 -18.810 1.00 0.00 C ATOM 1978 C HIS A 119 0.196 -29.485 -19.141 1.00 0.00 C ATOM 1979 O HIS A 119 0.578 -29.955 -20.212 1.00 0.00 O ATOM 1980 CB HIS A 119 -1.909 -28.179 -19.500 1.00 0.00 C ATOM 1981 CG HIS A 119 -3.414 -28.148 -19.572 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.205 -29.085 -20.204 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -4.229 -27.119 -19.171 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -5.471 -28.636 -20.167 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -5.523 -27.448 -19.566 1.00 0.00 N ATOM 0 H HIS A 119 -1.517 -28.362 -17.001 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.788 -30.305 -19.172 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.571 -27.284 -18.977 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.515 -28.123 -20.515 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -3.887 -29.959 -20.623 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.924 -26.224 -18.648 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.325 -29.163 -20.567 1.00 0.00 H new