USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 893 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 86 GLN : amide:sc= 0.861 K(o=1.9,f=-1.4) USER MOD Set 1.2: A 106 TYR OH : rot 8:sc= 1 USER MOD Set 2.1: A 10 SER OG : rot -27:sc= 0.896 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -6.04! C(o=-6.4!,f=-9.3!) USER MOD Set 2.3: A 16 MET CE :methyl -177:sc= -4.36! (180deg=-4.34!) USER MOD Set 2.4: A 45 TYR OH : rot -159:sc= 1.37 USER MOD Set 2.5: A 53 MET CE :methyl -167:sc= -0.016 (180deg=-0.0209) USER MOD Set 2.6: A 56 SER OG : rot -163:sc= -0.529 USER MOD Set 2.7: A 57 HIS : no HD1:sc= -0.221 X(o=-6.4,f=-6.8) USER MOD Set 2.8: A 68 SER OG : rot -21:sc= 0.00413 USER MOD Set 2.9: A 71 TYR OH : rot 54:sc= 0.613 USER MOD Set 2.10: A 85 THR OG1 : rot 38:sc= 1.88 USER MOD Set 2.11: A 103 CYS SG : rot -140:sc= -1.82 USER MOD Set 2.12: A 105 ASN : amide:sc= 1.85 K(o=-6.4,f=-8.3) USER MOD Set 3.1: A 13 SER OG : rot -69:sc= 0.737 USER MOD Set 3.2: A 19 THR OG1 : rot -161:sc= 1.11 USER MOD Set 3.3: A 92 ASN : amide:sc= 0.478 K(o=4.4,f=-5.3!) USER MOD Set 3.4: A 99 GLN : amide:sc= 0.983 K(o=4.4,f=-4.6!) USER MOD Set 3.5: A 100 CYS SG : rot 19:sc= 1.04 USER MOD Set 4.1: A 5 SER OG : rot 91:sc= 0.325 USER MOD Set 4.2: A 7 THR OG1 : rot -95:sc= 0.501 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0804 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc=-0.00591 (180deg=-0.159) USER MOD Single : A 14 MET CE :methyl -134:sc= 0 (180deg=-1.38!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -27:sc= -2.21 USER MOD Single : A 26 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 31 TYR OH : rot 144:sc= 0.108 USER MOD Single : A 32 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-9!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00373 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -4.25! C(o=-4.2!,f=-4.3!) USER MOD Single : A 50 SER OG : rot 68:sc= 0.0184 USER MOD Single : A 52 ASN : amide:sc=-0.00757 X(o=-0.0076,f=-0.15) USER MOD Single : A 54 THR OG1 : rot 62:sc= 0.928 USER MOD Single : A 55 LYS NZ :NH3+ -130:sc= 0.056 (180deg=-0.049) USER MOD Single : A 58 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.19) USER MOD Single : A 59 ASN : amide:sc= -0.696 K(o=-0.7,f=-0.05) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0231) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.63) USER MOD Single : A 73 MET CE :methyl -141:sc= -0.0467 (180deg=-0.243) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00825) USER MOD Single : A 77 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-0.32) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 91 TYR OH : rot 15:sc= -0.159 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl -122:sc= -2.44 (180deg=-5.41!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -144:sc= -1.41 (180deg=-3.57!) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.885 7.679 -12.044 1.00 8.25 N ATOM 2 CA GLY A 1 -18.165 6.803 -12.997 1.00 7.69 C ATOM 3 C GLY A 1 -16.760 6.494 -12.528 1.00 7.07 C ATOM 4 O GLY A 1 -16.441 6.658 -11.347 1.00 7.20 O ATOM 0 H1 GLY A 1 -19.841 7.304 -11.882 1.00 8.25 H new ATOM 0 H2 GLY A 1 -18.368 7.710 -11.142 1.00 8.25 H new ATOM 0 H3 GLY A 1 -18.952 8.639 -12.438 1.00 8.25 H new ATOM 0 HA2 GLY A 1 -18.718 5.872 -13.124 1.00 7.69 H new ATOM 0 HA3 GLY A 1 -18.124 7.285 -13.974 1.00 7.69 H new ATOM 10 N ALA A 2 -15.912 6.063 -13.448 1.00 6.74 N ATOM 11 CA ALA A 2 -14.542 5.717 -13.117 1.00 6.50 C ATOM 12 C ALA A 2 -13.573 6.396 -14.070 1.00 5.63 C ATOM 13 O ALA A 2 -13.410 5.971 -15.213 1.00 5.72 O ATOM 14 CB ALA A 2 -14.350 4.206 -13.143 1.00 7.23 C ATOM 0 H ALA A 2 -16.151 5.945 -14.433 1.00 6.74 H new ATOM 0 HA ALA A 2 -14.334 6.072 -12.108 1.00 6.50 H new ATOM 0 HB1 ALA A 2 -13.317 3.966 -12.892 1.00 7.23 H new ATOM 0 HB2 ALA A 2 -15.017 3.742 -12.416 1.00 7.23 H new ATOM 0 HB3 ALA A 2 -14.579 3.827 -14.139 1.00 7.23 H new ATOM 20 N MET A 3 -12.953 7.469 -13.605 1.00 5.15 N ATOM 21 CA MET A 3 -11.979 8.192 -14.410 1.00 4.60 C ATOM 22 C MET A 3 -10.679 7.404 -14.482 1.00 3.69 C ATOM 23 O MET A 3 -9.807 7.559 -13.626 1.00 3.99 O ATOM 24 CB MET A 3 -11.717 9.588 -13.833 1.00 5.41 C ATOM 25 CG MET A 3 -12.969 10.436 -13.691 1.00 6.28 C ATOM 26 SD MET A 3 -13.847 10.655 -15.252 1.00 7.11 S ATOM 27 CE MET A 3 -15.272 11.591 -14.699 1.00 7.93 C ATOM 0 H MET A 3 -13.106 7.859 -12.675 1.00 5.15 H new ATOM 0 HA MET A 3 -12.385 8.310 -15.415 1.00 4.60 H new ATOM 0 HB2 MET A 3 -11.246 9.485 -12.855 1.00 5.41 H new ATOM 0 HB3 MET A 3 -11.007 10.109 -14.475 1.00 5.41 H new ATOM 0 HG2 MET A 3 -13.637 9.971 -12.966 1.00 6.28 H new ATOM 0 HG3 MET A 3 -12.697 11.413 -13.292 1.00 6.28 H new ATOM 0 HE1 MET A 3 -15.918 11.808 -15.550 1.00 7.93 H new ATOM 0 HE2 MET A 3 -15.826 11.009 -13.962 1.00 7.93 H new ATOM 0 HE3 MET A 3 -14.940 12.526 -14.248 1.00 7.93 H new ATOM 37 N ASP A 4 -10.581 6.541 -15.497 1.00 3.10 N ATOM 38 CA ASP A 4 -9.441 5.636 -15.672 1.00 2.74 C ATOM 39 C ASP A 4 -9.376 4.626 -14.536 1.00 2.19 C ATOM 40 O ASP A 4 -9.796 3.478 -14.685 1.00 2.83 O ATOM 41 CB ASP A 4 -8.113 6.396 -15.771 1.00 3.07 C ATOM 42 CG ASP A 4 -8.019 7.251 -17.015 1.00 3.89 C ATOM 43 OD1 ASP A 4 -7.794 6.688 -18.110 1.00 4.39 O ATOM 44 OD2 ASP A 4 -8.150 8.489 -16.903 1.00 4.39 O ATOM 0 H ASP A 4 -11.292 6.450 -16.223 1.00 3.10 H new ATOM 0 HA ASP A 4 -9.595 5.108 -16.613 1.00 2.74 H new ATOM 0 HB2 ASP A 4 -7.995 7.028 -14.891 1.00 3.07 H new ATOM 0 HB3 ASP A 4 -7.289 5.682 -15.763 1.00 3.07 H new ATOM 49 N SER A 5 -8.866 5.074 -13.403 1.00 1.51 N ATOM 50 CA SER A 5 -8.746 4.254 -12.219 1.00 1.13 C ATOM 51 C SER A 5 -8.519 5.154 -11.015 1.00 0.89 C ATOM 52 O SER A 5 -8.148 6.319 -11.170 1.00 1.67 O ATOM 53 CB SER A 5 -7.587 3.267 -12.374 1.00 1.29 C ATOM 54 OG SER A 5 -6.385 3.941 -12.703 1.00 1.99 O ATOM 0 H SER A 5 -8.521 6.026 -13.281 1.00 1.51 H new ATOM 0 HA SER A 5 -9.663 3.682 -12.076 1.00 1.13 H new ATOM 0 HB2 SER A 5 -7.453 2.710 -11.447 1.00 1.29 H new ATOM 0 HB3 SER A 5 -7.825 2.541 -13.151 1.00 1.29 H new ATOM 0 HG SER A 5 -5.903 4.171 -11.881 1.00 1.99 H new ATOM 60 N LYS A 6 -8.748 4.629 -9.826 1.00 0.74 N ATOM 61 CA LYS A 6 -8.504 5.387 -8.612 1.00 0.49 C ATOM 62 C LYS A 6 -7.076 5.124 -8.152 1.00 0.39 C ATOM 63 O LYS A 6 -6.792 4.081 -7.575 1.00 0.48 O ATOM 64 CB LYS A 6 -9.490 4.979 -7.512 1.00 0.68 C ATOM 65 CG LYS A 6 -10.939 4.884 -7.972 1.00 0.95 C ATOM 66 CD LYS A 6 -11.848 4.440 -6.833 1.00 1.62 C ATOM 67 CE LYS A 6 -13.271 4.175 -7.303 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.355 3.004 -8.217 1.00 2.61 N ATOM 0 H LYS A 6 -9.101 3.684 -9.674 1.00 0.74 H new ATOM 0 HA LYS A 6 -8.643 6.449 -8.815 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.186 4.014 -7.107 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.426 5.700 -6.697 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.269 5.853 -8.348 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.016 4.178 -8.799 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.443 3.536 -6.379 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.860 5.208 -6.059 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.911 4.004 -6.438 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.653 5.059 -7.813 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -14.352 2.737 -8.349 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -12.938 3.251 -9.137 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -12.834 2.204 -7.805 1.00 2.61 H new ATOM 82 N THR A 7 -6.177 6.052 -8.423 1.00 0.30 N ATOM 83 CA THR A 7 -4.767 5.810 -8.192 1.00 0.27 C ATOM 84 C THR A 7 -4.172 6.864 -7.278 1.00 0.21 C ATOM 85 O THR A 7 -4.277 8.065 -7.542 1.00 0.22 O ATOM 86 CB THR A 7 -3.991 5.794 -9.525 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.571 4.836 -10.422 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.522 5.459 -9.303 1.00 0.34 C ATOM 0 H THR A 7 -6.397 6.974 -8.801 1.00 0.30 H new ATOM 0 HA THR A 7 -4.678 4.836 -7.711 1.00 0.27 H new ATOM 0 HB THR A 7 -4.056 6.790 -9.962 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.090 3.985 -10.348 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.001 5.455 -10.260 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.073 6.206 -8.649 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.439 4.475 -8.841 1.00 0.34 H new ATOM 96 N PHE A 8 -3.567 6.411 -6.193 1.00 0.19 N ATOM 97 CA PHE A 8 -2.858 7.314 -5.304 1.00 0.18 C ATOM 98 C PHE A 8 -1.438 6.814 -5.064 1.00 0.19 C ATOM 99 O PHE A 8 -1.216 5.640 -4.748 1.00 0.22 O ATOM 100 CB PHE A 8 -3.641 7.510 -3.992 1.00 0.21 C ATOM 101 CG PHE A 8 -3.291 6.580 -2.858 1.00 0.23 C ATOM 102 CD1 PHE A 8 -3.905 5.346 -2.732 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.361 6.961 -1.901 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.593 4.506 -1.679 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.048 6.128 -0.848 1.00 0.36 C ATOM 106 CZ PHE A 8 -2.663 4.899 -0.736 1.00 0.40 C ATOM 0 H PHE A 8 -3.552 5.432 -5.908 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.780 8.293 -5.776 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.489 8.535 -3.653 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.704 7.400 -4.208 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.636 5.036 -3.464 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -1.876 7.923 -1.982 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.076 3.544 -1.594 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.322 6.438 -0.111 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.418 4.245 0.088 1.00 0.40 H new ATOM 116 N LEU A 9 -0.482 7.703 -5.283 1.00 0.18 N ATOM 117 CA LEU A 9 0.922 7.404 -5.067 1.00 0.20 C ATOM 118 C LEU A 9 1.188 7.278 -3.569 1.00 0.20 C ATOM 119 O LEU A 9 0.621 8.007 -2.762 1.00 0.33 O ATOM 120 CB LEU A 9 1.784 8.518 -5.692 1.00 0.22 C ATOM 121 CG LEU A 9 3.241 8.157 -6.029 1.00 0.27 C ATOM 122 CD1 LEU A 9 4.100 8.056 -4.779 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.294 6.853 -6.807 1.00 0.37 C ATOM 0 H LEU A 9 -0.659 8.651 -5.615 1.00 0.18 H new ATOM 0 HA LEU A 9 1.183 6.459 -5.544 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.296 8.853 -6.607 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.793 9.366 -5.007 1.00 0.22 H new ATOM 0 HG LEU A 9 3.645 8.960 -6.645 1.00 0.27 H new ATOM 0 HD11 LEU A 9 5.122 7.799 -5.059 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.096 9.013 -4.257 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.699 7.283 -4.123 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.331 6.610 -7.039 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.859 6.054 -6.207 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.730 6.959 -7.734 1.00 0.37 H new ATOM 135 N SER A 10 2.038 6.348 -3.200 1.00 0.32 N ATOM 136 CA SER A 10 2.365 6.137 -1.807 1.00 0.32 C ATOM 137 C SER A 10 3.765 5.576 -1.704 1.00 0.28 C ATOM 138 O SER A 10 4.355 5.171 -2.707 1.00 0.29 O ATOM 139 CB SER A 10 1.368 5.185 -1.148 1.00 0.41 C ATOM 140 OG SER A 10 1.457 3.891 -1.711 1.00 1.10 O ATOM 0 H SER A 10 2.518 5.723 -3.847 1.00 0.32 H new ATOM 0 HA SER A 10 2.312 7.092 -1.285 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.562 5.134 -0.077 1.00 0.41 H new ATOM 0 HB3 SER A 10 0.356 5.570 -1.271 1.00 0.41 H new ATOM 0 HG SER A 10 1.779 3.957 -2.634 1.00 1.10 H new ATOM 146 N ARG A 11 4.290 5.533 -0.502 1.00 0.28 N ATOM 147 CA ARG A 11 5.621 5.009 -0.311 1.00 0.30 C ATOM 148 C ARG A 11 5.772 4.425 1.080 1.00 0.21 C ATOM 149 O ARG A 11 5.149 4.876 2.045 1.00 0.21 O ATOM 150 CB ARG A 11 6.701 6.062 -0.595 1.00 0.51 C ATOM 151 CG ARG A 11 7.447 6.525 0.637 1.00 0.99 C ATOM 152 CD ARG A 11 8.866 6.953 0.306 1.00 1.00 C ATOM 153 NE ARG A 11 8.914 8.066 -0.641 1.00 1.28 N ATOM 154 CZ ARG A 11 9.989 8.373 -1.371 1.00 1.70 C ATOM 155 NH1 ARG A 11 11.111 7.676 -1.232 1.00 1.99 N ATOM 156 NH2 ARG A 11 9.941 9.385 -2.225 1.00 2.46 N ATOM 0 H ARG A 11 3.823 5.850 0.348 1.00 0.28 H new ATOM 0 HA ARG A 11 5.765 4.207 -1.035 1.00 0.30 H new ATOM 0 HB2 ARG A 11 7.416 5.651 -1.307 1.00 0.51 H new ATOM 0 HB3 ARG A 11 6.236 6.925 -1.072 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.913 7.358 1.094 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.472 5.720 1.372 1.00 0.99 H new ATOM 0 HD2 ARG A 11 9.378 7.241 1.224 1.00 1.00 H new ATOM 0 HD3 ARG A 11 9.409 6.104 -0.109 1.00 1.00 H new ATOM 0 HE ARG A 11 8.078 8.641 -0.750 1.00 1.28 H new ATOM 0 HH11 ARG A 11 11.153 6.904 -0.566 1.00 1.99 H new ATOM 0 HH12 ARG A 11 11.931 7.912 -1.791 1.00 1.99 H new ATOM 0 HH21 ARG A 11 9.084 9.928 -2.324 1.00 2.46 H new ATOM 0 HH22 ARG A 11 10.762 9.621 -2.783 1.00 2.46 H new ATOM 170 N HIS A 12 6.562 3.378 1.152 1.00 0.25 N ATOM 171 CA HIS A 12 6.845 2.700 2.394 1.00 0.32 C ATOM 172 C HIS A 12 8.350 2.761 2.606 1.00 0.32 C ATOM 173 O HIS A 12 9.072 3.203 1.721 1.00 0.36 O ATOM 174 CB HIS A 12 6.359 1.236 2.343 1.00 0.36 C ATOM 175 CG HIS A 12 4.920 1.050 1.909 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.350 -0.191 1.704 1.00 0.89 N ATOM 177 CD2 HIS A 12 3.938 1.948 1.636 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.094 -0.046 1.326 1.00 0.86 C ATOM 179 NE2 HIS A 12 2.820 1.240 1.278 1.00 0.51 N ATOM 0 H HIS A 12 7.030 2.970 0.342 1.00 0.25 H new ATOM 0 HA HIS A 12 6.321 3.180 3.220 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.002 0.680 1.661 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.484 0.794 3.331 1.00 0.36 H new ATOM 0 HD2 HIS A 12 4.023 3.023 1.691 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.407 -0.847 1.095 1.00 0.86 H new ATOM 0 HE2 HIS A 12 1.921 1.645 1.017 1.00 0.51 H new ATOM 188 N SER A 13 8.826 2.322 3.748 1.00 0.32 N ATOM 189 CA SER A 13 10.258 2.338 4.012 1.00 0.35 C ATOM 190 C SER A 13 10.684 1.064 4.728 1.00 0.43 C ATOM 191 O SER A 13 10.068 0.690 5.718 1.00 0.91 O ATOM 192 CB SER A 13 10.626 3.558 4.855 1.00 0.68 C ATOM 193 OG SER A 13 10.267 4.765 4.197 1.00 1.70 O ATOM 0 H SER A 13 8.254 1.951 4.507 1.00 0.32 H new ATOM 0 HA SER A 13 10.783 2.394 3.058 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.121 3.503 5.819 1.00 0.68 H new ATOM 0 HB3 SER A 13 11.697 3.555 5.056 1.00 0.68 H new ATOM 0 HG SER A 13 10.842 4.894 3.414 1.00 1.70 H new ATOM 199 N MET A 14 11.747 0.435 4.205 1.00 0.27 N ATOM 200 CA MET A 14 12.290 -0.854 4.684 1.00 0.36 C ATOM 201 C MET A 14 11.215 -1.815 5.211 1.00 0.33 C ATOM 202 O MET A 14 10.700 -2.656 4.464 1.00 0.40 O ATOM 203 CB MET A 14 13.364 -0.620 5.753 1.00 0.56 C ATOM 204 CG MET A 14 14.416 -1.722 5.821 1.00 1.35 C ATOM 205 SD MET A 14 13.732 -3.348 6.205 1.00 1.76 S ATOM 206 CE MET A 14 15.182 -4.383 6.011 1.00 2.75 C ATOM 0 H MET A 14 12.270 0.815 3.416 1.00 0.27 H new ATOM 0 HA MET A 14 12.735 -1.338 3.815 1.00 0.36 H new ATOM 0 HB2 MET A 14 13.859 0.330 5.555 1.00 0.56 H new ATOM 0 HB3 MET A 14 12.881 -0.531 6.726 1.00 0.56 H new ATOM 0 HG2 MET A 14 14.939 -1.773 4.866 1.00 1.35 H new ATOM 0 HG3 MET A 14 15.156 -1.460 6.577 1.00 1.35 H new ATOM 0 HE1 MET A 14 14.923 -5.267 5.428 1.00 2.75 H new ATOM 0 HE2 MET A 14 15.962 -3.823 5.495 1.00 2.75 H new ATOM 0 HE3 MET A 14 15.544 -4.689 6.992 1.00 2.75 H new ATOM 216 N ASP A 15 10.870 -1.658 6.491 1.00 0.36 N ATOM 217 CA ASP A 15 9.933 -2.542 7.188 1.00 0.41 C ATOM 218 C ASP A 15 8.553 -2.493 6.544 1.00 0.34 C ATOM 219 O ASP A 15 7.745 -3.404 6.710 1.00 0.41 O ATOM 220 CB ASP A 15 9.844 -2.115 8.658 1.00 0.56 C ATOM 221 CG ASP A 15 8.906 -2.974 9.485 1.00 1.18 C ATOM 222 OD1 ASP A 15 9.218 -4.167 9.699 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.828 -2.478 9.877 1.00 1.49 O ATOM 0 H ASP A 15 11.236 -0.908 7.077 1.00 0.36 H new ATOM 0 HA ASP A 15 10.296 -3.567 7.121 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.840 -2.151 9.099 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.511 -1.078 8.707 1.00 0.56 H new ATOM 228 N MET A 16 8.317 -1.427 5.780 1.00 0.29 N ATOM 229 CA MET A 16 7.056 -1.219 5.089 1.00 0.35 C ATOM 230 C MET A 16 5.901 -1.005 6.070 1.00 0.37 C ATOM 231 O MET A 16 5.078 -1.893 6.283 1.00 0.69 O ATOM 232 CB MET A 16 6.768 -2.394 4.135 1.00 0.49 C ATOM 233 CG MET A 16 5.384 -2.363 3.506 1.00 0.67 C ATOM 234 SD MET A 16 5.148 -3.630 2.244 1.00 0.73 S ATOM 235 CE MET A 16 6.334 -3.118 1.009 1.00 0.48 C ATOM 0 H MET A 16 9.000 -0.685 5.626 1.00 0.29 H new ATOM 0 HA MET A 16 7.144 -0.308 4.497 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.515 -2.394 3.341 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.885 -3.329 4.683 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.634 -2.493 4.287 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.216 -1.382 3.062 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.265 -3.777 0.143 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.122 -2.094 0.703 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.340 -3.171 1.426 1.00 0.48 H new ATOM 245 N LYS A 17 5.852 0.161 6.712 1.00 0.31 N ATOM 246 CA LYS A 17 4.670 0.504 7.483 1.00 0.31 C ATOM 247 C LYS A 17 3.813 1.525 6.727 1.00 0.27 C ATOM 248 O LYS A 17 2.668 1.246 6.432 1.00 0.29 O ATOM 249 CB LYS A 17 5.031 1.001 8.892 1.00 0.42 C ATOM 250 CG LYS A 17 5.994 2.171 8.948 1.00 0.59 C ATOM 251 CD LYS A 17 6.034 2.800 10.336 1.00 0.70 C ATOM 252 CE LYS A 17 6.437 1.797 11.410 1.00 0.98 C ATOM 253 NZ LYS A 17 6.464 2.412 12.766 1.00 1.40 N ATOM 0 H LYS A 17 6.594 0.861 6.713 1.00 0.31 H new ATOM 0 HA LYS A 17 4.080 -0.404 7.613 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.112 1.286 9.404 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.463 0.171 9.451 1.00 0.42 H new ATOM 0 HG2 LYS A 17 6.993 1.834 8.672 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.697 2.922 8.216 1.00 0.59 H new ATOM 0 HD2 LYS A 17 6.738 3.632 10.336 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.053 3.212 10.575 1.00 0.70 H new ATOM 0 HE2 LYS A 17 5.738 0.960 11.405 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.421 1.391 11.176 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 6.743 1.696 13.467 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 7.149 3.194 12.779 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 5.519 2.776 13.001 1.00 1.40 H new ATOM 267 N PHE A 18 4.400 2.678 6.403 1.00 0.29 N ATOM 268 CA PHE A 18 3.798 3.725 5.552 1.00 0.30 C ATOM 269 C PHE A 18 4.446 5.049 5.918 1.00 0.38 C ATOM 270 O PHE A 18 4.276 5.540 7.027 1.00 0.68 O ATOM 271 CB PHE A 18 2.264 3.861 5.694 1.00 0.27 C ATOM 272 CG PHE A 18 1.475 3.381 4.488 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.404 4.149 3.327 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.807 2.161 4.511 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.688 3.713 2.228 1.00 0.46 C ATOM 276 CE2 PHE A 18 0.091 1.724 3.411 1.00 0.38 C ATOM 277 CZ PHE A 18 0.023 2.500 2.276 1.00 0.44 C ATOM 0 H PHE A 18 5.334 2.924 6.731 1.00 0.29 H new ATOM 0 HA PHE A 18 3.978 3.439 4.516 1.00 0.30 H new ATOM 0 HB2 PHE A 18 1.942 3.299 6.570 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.020 4.907 5.879 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.916 5.099 3.285 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.848 1.547 5.399 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.648 4.317 1.334 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.416 0.771 3.443 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.549 2.163 1.424 1.00 0.44 H new ATOM 287 N THR A 19 5.224 5.588 5.004 1.00 0.21 N ATOM 288 CA THR A 19 5.965 6.813 5.254 1.00 0.23 C ATOM 289 C THR A 19 5.474 7.956 4.374 1.00 0.22 C ATOM 290 O THR A 19 5.768 9.125 4.634 1.00 0.26 O ATOM 291 CB THR A 19 7.473 6.581 5.040 1.00 0.30 C ATOM 292 OG1 THR A 19 7.687 5.759 3.882 1.00 0.63 O ATOM 293 CG2 THR A 19 8.091 5.914 6.259 1.00 0.43 C ATOM 0 H THR A 19 5.363 5.196 4.073 1.00 0.21 H new ATOM 0 HA THR A 19 5.794 7.097 6.292 1.00 0.23 H new ATOM 0 HB THR A 19 7.950 7.550 4.889 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.585 5.369 3.919 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.156 5.759 6.088 1.00 0.43 H new ATOM 0 HG22 THR A 19 7.953 6.552 7.132 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.607 4.953 6.432 1.00 0.43 H new ATOM 301 N TYR A 20 4.703 7.617 3.350 1.00 0.21 N ATOM 302 CA TYR A 20 4.141 8.618 2.456 1.00 0.23 C ATOM 303 C TYR A 20 2.836 8.130 1.854 1.00 0.21 C ATOM 304 O TYR A 20 2.695 6.951 1.513 1.00 0.22 O ATOM 305 CB TYR A 20 5.127 8.974 1.343 1.00 0.31 C ATOM 306 CG TYR A 20 4.577 9.960 0.332 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.629 11.328 0.571 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.999 9.522 -0.854 1.00 0.46 C ATOM 309 CE1 TYR A 20 4.121 12.229 -0.344 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.490 10.419 -1.773 1.00 0.57 C ATOM 311 CZ TYR A 20 3.554 11.770 -1.513 1.00 0.64 C ATOM 312 OH TYR A 20 3.049 12.667 -2.427 1.00 0.77 O ATOM 0 H TYR A 20 4.453 6.656 3.118 1.00 0.21 H new ATOM 0 HA TYR A 20 3.943 9.514 3.045 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.030 9.391 1.790 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.420 8.061 0.824 1.00 0.31 H new ATOM 0 HD1 TYR A 20 5.073 11.692 1.486 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.947 8.463 -1.060 1.00 0.46 H new ATOM 0 HE1 TYR A 20 4.168 13.289 -0.144 1.00 0.60 H new ATOM 0 HE2 TYR A 20 3.044 10.063 -2.690 1.00 0.57 H new ATOM 0 HH TYR A 20 2.686 12.181 -3.197 1.00 0.77 H new ATOM 322 N CYS A 21 1.884 9.041 1.741 1.00 0.19 N ATOM 323 CA CYS A 21 0.599 8.759 1.136 1.00 0.19 C ATOM 324 C CYS A 21 0.127 9.960 0.332 1.00 0.18 C ATOM 325 O CYS A 21 0.334 11.102 0.735 1.00 0.21 O ATOM 326 CB CYS A 21 -0.426 8.439 2.219 1.00 0.20 C ATOM 327 SG CYS A 21 -0.069 6.945 3.159 1.00 0.34 S ATOM 0 H CYS A 21 1.984 10.002 2.069 1.00 0.19 H new ATOM 0 HA CYS A 21 0.704 7.901 0.472 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.485 9.282 2.907 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.407 8.337 1.755 1.00 0.20 H new ATOM 0 HG CYS A 21 0.623 6.126 2.425 1.00 0.34 H new ATOM 333 N ASP A 22 -0.470 9.699 -0.813 1.00 0.17 N ATOM 334 CA ASP A 22 -1.086 10.755 -1.613 1.00 0.18 C ATOM 335 C ASP A 22 -2.398 11.191 -0.971 1.00 0.18 C ATOM 336 O ASP A 22 -3.050 10.402 -0.284 1.00 0.20 O ATOM 337 CB ASP A 22 -1.333 10.263 -3.038 1.00 0.20 C ATOM 338 CG ASP A 22 -1.832 11.351 -3.969 1.00 0.27 C ATOM 339 OD1 ASP A 22 -3.021 11.713 -3.890 1.00 0.55 O ATOM 340 OD2 ASP A 22 -1.037 11.831 -4.804 1.00 0.67 O ATOM 0 H ASP A 22 -0.545 8.765 -1.217 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.410 11.609 -1.653 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.407 9.848 -3.438 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.061 9.452 -3.014 1.00 0.20 H new ATOM 345 N ASP A 23 -2.791 12.439 -1.206 1.00 0.20 N ATOM 346 CA ASP A 23 -3.974 13.006 -0.558 1.00 0.23 C ATOM 347 C ASP A 23 -5.240 12.287 -1.005 1.00 0.21 C ATOM 348 O ASP A 23 -6.245 12.284 -0.297 1.00 0.23 O ATOM 349 CB ASP A 23 -4.101 14.508 -0.828 1.00 0.31 C ATOM 350 CG ASP A 23 -4.361 14.840 -2.281 1.00 1.33 C ATOM 351 OD1 ASP A 23 -5.540 14.823 -2.698 1.00 2.12 O ATOM 352 OD2 ASP A 23 -3.392 15.151 -3.010 1.00 1.97 O ATOM 0 H ASP A 23 -2.310 13.078 -1.839 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.850 12.863 0.515 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.912 14.911 -0.221 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -3.185 15.005 -0.508 1.00 0.31 H new ATOM 357 N ARG A 24 -5.167 11.666 -2.176 1.00 0.20 N ATOM 358 CA ARG A 24 -6.265 10.880 -2.729 1.00 0.21 C ATOM 359 C ARG A 24 -6.763 9.816 -1.750 1.00 0.19 C ATOM 360 O ARG A 24 -7.909 9.372 -1.830 1.00 0.21 O ATOM 361 CB ARG A 24 -5.795 10.199 -4.006 1.00 0.24 C ATOM 362 CG ARG A 24 -5.970 11.021 -5.270 1.00 0.66 C ATOM 363 CD ARG A 24 -7.435 11.211 -5.613 1.00 1.23 C ATOM 364 NE ARG A 24 -7.641 11.352 -7.054 1.00 1.64 N ATOM 365 CZ ARG A 24 -8.794 11.710 -7.610 1.00 2.49 C ATOM 366 NH1 ARG A 24 -9.814 12.084 -6.846 1.00 3.22 N ATOM 367 NH2 ARG A 24 -8.922 11.707 -8.934 1.00 2.98 N ATOM 0 H ARG A 24 -4.340 11.693 -2.773 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.092 11.560 -2.931 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -4.740 9.945 -3.898 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.338 9.261 -4.122 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -5.497 11.994 -5.140 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.462 10.528 -6.099 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -8.008 10.360 -5.245 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -7.816 12.096 -5.103 1.00 1.23 H new ATOM 0 HE ARG A 24 -6.851 11.164 -7.671 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -9.713 12.097 -5.831 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -10.698 12.358 -7.274 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -8.136 11.430 -9.522 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -9.806 11.982 -9.361 1.00 2.98 H new ATOM 381 N ILE A 25 -5.905 9.411 -0.821 1.00 0.17 N ATOM 382 CA ILE A 25 -6.249 8.350 0.110 1.00 0.18 C ATOM 383 C ILE A 25 -7.432 8.762 0.991 1.00 0.19 C ATOM 384 O ILE A 25 -8.208 7.918 1.427 1.00 0.21 O ATOM 385 CB ILE A 25 -5.042 7.936 0.983 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.348 6.633 1.709 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.689 9.026 1.983 1.00 0.19 C ATOM 388 CD1 ILE A 25 -4.149 6.028 2.400 1.00 0.76 C ATOM 0 H ILE A 25 -4.971 9.801 -0.695 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.540 7.482 -0.482 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.182 7.788 0.329 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -6.129 6.813 2.447 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.746 5.913 0.994 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.837 8.707 2.583 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.434 9.941 1.449 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.543 9.212 2.635 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.443 5.103 2.895 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.374 5.815 1.664 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.764 6.729 3.140 1.00 0.76 H new ATOM 400 N THR A 26 -7.566 10.067 1.231 1.00 0.20 N ATOM 401 CA THR A 26 -8.720 10.602 1.956 1.00 0.22 C ATOM 402 C THR A 26 -10.030 10.194 1.280 1.00 0.25 C ATOM 403 O THR A 26 -11.050 9.986 1.938 1.00 0.31 O ATOM 404 CB THR A 26 -8.663 12.141 2.059 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.629 12.722 0.747 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.442 12.591 2.846 1.00 0.26 C ATOM 0 H THR A 26 -6.891 10.772 0.935 1.00 0.20 H new ATOM 0 HA THR A 26 -8.684 10.181 2.961 1.00 0.22 H new ATOM 0 HB THR A 26 -9.557 12.477 2.584 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.772 12.515 0.320 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.427 13.679 2.903 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.485 12.175 3.853 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.538 12.241 2.347 1.00 0.26 H new ATOM 414 N GLU A 27 -9.979 10.065 -0.041 1.00 0.25 N ATOM 415 CA GLU A 27 -11.146 9.699 -0.829 1.00 0.30 C ATOM 416 C GLU A 27 -11.240 8.184 -0.995 1.00 0.33 C ATOM 417 O GLU A 27 -12.312 7.648 -1.268 1.00 0.43 O ATOM 418 CB GLU A 27 -11.074 10.356 -2.212 1.00 0.38 C ATOM 419 CG GLU A 27 -10.866 11.860 -2.169 1.00 0.55 C ATOM 420 CD GLU A 27 -10.777 12.479 -3.552 1.00 1.43 C ATOM 421 OE1 GLU A 27 -11.833 12.656 -4.192 1.00 1.63 O ATOM 422 OE2 GLU A 27 -9.656 12.788 -4.009 1.00 2.28 O ATOM 0 H GLU A 27 -9.133 10.210 -0.591 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.032 10.050 -0.301 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.260 9.902 -2.777 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -11.995 10.142 -2.754 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -11.688 12.321 -1.621 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -9.952 12.081 -1.617 1.00 0.55 H new ATOM 429 N LEU A 28 -10.114 7.497 -0.828 1.00 0.27 N ATOM 430 CA LEU A 28 -10.038 6.074 -1.148 1.00 0.30 C ATOM 431 C LEU A 28 -10.118 5.190 0.100 1.00 0.31 C ATOM 432 O LEU A 28 -11.008 4.350 0.221 1.00 0.35 O ATOM 433 CB LEU A 28 -8.741 5.791 -1.908 1.00 0.30 C ATOM 434 CG LEU A 28 -8.531 6.650 -3.160 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.190 6.344 -3.803 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.664 6.438 -4.153 1.00 0.32 C ATOM 0 H LEU A 28 -9.246 7.899 -0.475 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.899 5.828 -1.770 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.899 5.945 -1.233 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.728 4.741 -2.198 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.533 7.697 -2.859 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.062 6.965 -4.690 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.390 6.555 -3.094 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.155 5.292 -4.088 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.496 7.057 -5.034 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.698 5.389 -4.447 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.611 6.716 -3.690 1.00 0.32 H new ATOM 448 N ILE A 29 -9.196 5.396 1.031 1.00 0.28 N ATOM 449 CA ILE A 29 -9.099 4.550 2.217 1.00 0.30 C ATOM 450 C ILE A 29 -9.708 5.279 3.419 1.00 0.29 C ATOM 451 O ILE A 29 -9.877 4.722 4.501 1.00 0.33 O ATOM 452 CB ILE A 29 -7.627 4.145 2.495 1.00 0.30 C ATOM 453 CG1 ILE A 29 -7.041 3.450 1.264 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.524 3.227 3.705 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.597 3.027 1.421 1.00 1.10 C ATOM 0 H ILE A 29 -8.502 6.143 0.989 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.659 3.632 2.042 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.060 5.051 2.710 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.643 2.570 1.036 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -7.121 4.121 0.409 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.480 2.962 3.873 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.914 3.739 4.585 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.104 2.322 3.525 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -5.258 2.543 0.505 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -4.980 3.904 1.617 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.511 2.329 2.254 1.00 1.10 H new ATOM 467 N GLY A 30 -10.070 6.530 3.195 1.00 0.27 N ATOM 468 CA GLY A 30 -10.762 7.309 4.201 1.00 0.29 C ATOM 469 C GLY A 30 -9.860 7.985 5.221 1.00 0.28 C ATOM 470 O GLY A 30 -10.277 8.967 5.836 1.00 0.32 O ATOM 0 H GLY A 30 -9.895 7.027 2.322 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.357 8.073 3.702 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.458 6.657 4.729 1.00 0.29 H new ATOM 474 N TYR A 31 -8.639 7.491 5.424 1.00 0.28 N ATOM 475 CA TYR A 31 -7.741 8.129 6.371 1.00 0.33 C ATOM 476 C TYR A 31 -7.111 9.370 5.750 1.00 0.34 C ATOM 477 O TYR A 31 -7.472 9.783 4.650 1.00 0.43 O ATOM 478 CB TYR A 31 -6.628 7.182 6.817 1.00 0.38 C ATOM 479 CG TYR A 31 -7.085 5.970 7.589 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.378 6.052 8.943 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.199 4.739 6.965 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.779 4.938 9.653 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.599 3.619 7.664 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.889 3.723 9.012 1.00 0.46 C ATOM 485 OH TYR A 31 -8.296 2.613 9.714 1.00 0.53 O ATOM 0 H TYR A 31 -8.260 6.669 4.954 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.335 8.407 7.242 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -6.084 6.846 5.934 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.923 7.740 7.433 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.291 7.002 9.449 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.971 4.654 5.913 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.005 5.018 10.706 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.685 2.667 7.162 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.855 2.049 9.139 1.00 0.53 H new ATOM 495 N HIS A 32 -6.150 9.946 6.450 1.00 0.31 N ATOM 496 CA HIS A 32 -5.376 11.055 5.922 1.00 0.34 C ATOM 497 C HIS A 32 -4.015 10.512 5.536 1.00 0.23 C ATOM 498 O HIS A 32 -3.567 9.532 6.128 1.00 0.23 O ATOM 499 CB HIS A 32 -5.203 12.140 6.993 1.00 0.52 C ATOM 500 CG HIS A 32 -5.454 13.547 6.527 1.00 0.68 C ATOM 501 ND1 HIS A 32 -4.635 14.233 5.649 1.00 1.52 N ATOM 502 CD2 HIS A 32 -6.450 14.400 6.846 1.00 1.52 C ATOM 503 CE1 HIS A 32 -5.124 15.444 5.451 1.00 1.90 C ATOM 504 NE2 HIS A 32 -6.225 15.569 6.164 1.00 1.89 N ATOM 0 H HIS A 32 -5.886 9.661 7.393 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.884 11.496 5.064 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -5.879 11.922 7.820 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -4.188 12.081 7.387 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -7.273 14.199 7.515 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -4.695 16.202 4.813 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -6.815 16.400 6.203 1.00 1.89 H new ATOM 513 N PRO A 33 -3.338 11.091 4.539 1.00 0.24 N ATOM 514 CA PRO A 33 -1.946 10.743 4.270 1.00 0.27 C ATOM 515 C PRO A 33 -1.119 10.804 5.551 1.00 0.25 C ATOM 516 O PRO A 33 -0.355 9.893 5.850 1.00 0.29 O ATOM 517 CB PRO A 33 -1.498 11.817 3.283 1.00 0.34 C ATOM 518 CG PRO A 33 -2.744 12.230 2.581 1.00 0.33 C ATOM 519 CD PRO A 33 -3.864 12.075 3.574 1.00 0.29 C ATOM 0 HA PRO A 33 -1.825 9.732 3.882 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -1.036 12.659 3.798 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.759 11.427 2.582 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.671 13.261 2.236 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -2.917 11.611 1.701 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -4.105 13.022 4.058 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.777 11.720 3.096 1.00 0.29 H new ATOM 527 N GLU A 34 -1.353 11.856 6.334 1.00 0.25 N ATOM 528 CA GLU A 34 -0.638 12.102 7.577 1.00 0.30 C ATOM 529 C GLU A 34 -1.044 11.095 8.649 1.00 0.28 C ATOM 530 O GLU A 34 -0.393 10.975 9.688 1.00 0.32 O ATOM 531 CB GLU A 34 -0.920 13.514 8.084 1.00 0.37 C ATOM 532 CG GLU A 34 -1.864 14.306 7.214 1.00 1.01 C ATOM 533 CD GLU A 34 -1.277 14.754 5.895 1.00 1.68 C ATOM 534 OE1 GLU A 34 -0.221 15.416 5.931 1.00 2.14 O ATOM 535 OE2 GLU A 34 -1.844 14.432 4.832 1.00 2.13 O ATOM 0 H GLU A 34 -2.052 12.566 6.118 1.00 0.25 H new ATOM 0 HA GLU A 34 0.427 11.994 7.373 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.337 13.451 9.089 1.00 0.37 H new ATOM 0 HB3 GLU A 34 0.023 14.055 8.163 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -2.749 13.701 7.016 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -2.196 15.185 7.767 1.00 1.01 H new ATOM 542 N GLU A 35 -2.130 10.382 8.390 1.00 0.26 N ATOM 543 CA GLU A 35 -2.596 9.352 9.298 1.00 0.29 C ATOM 544 C GLU A 35 -1.766 8.104 9.094 1.00 0.29 C ATOM 545 O GLU A 35 -1.192 7.570 10.039 1.00 0.43 O ATOM 546 CB GLU A 35 -4.087 9.045 9.073 1.00 0.34 C ATOM 547 CG GLU A 35 -5.019 10.036 9.753 1.00 0.61 C ATOM 548 CD GLU A 35 -4.708 10.215 11.225 1.00 1.23 C ATOM 549 OE1 GLU A 35 -5.088 9.335 12.023 1.00 1.81 O ATOM 550 OE2 GLU A 35 -4.095 11.237 11.593 1.00 1.71 O ATOM 0 H GLU A 35 -2.704 10.500 7.555 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.484 9.707 10.323 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.292 9.041 8.002 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.303 8.043 9.442 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.946 11.001 9.251 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -6.048 9.695 9.642 1.00 0.61 H new ATOM 557 N LEU A 36 -1.696 7.655 7.849 1.00 0.27 N ATOM 558 CA LEU A 36 -0.955 6.451 7.535 1.00 0.29 C ATOM 559 C LEU A 36 0.538 6.677 7.616 1.00 0.32 C ATOM 560 O LEU A 36 1.271 5.807 8.083 1.00 0.46 O ATOM 561 CB LEU A 36 -1.302 5.900 6.156 1.00 0.29 C ATOM 562 CG LEU A 36 -2.664 5.236 6.055 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.740 6.265 5.793 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.657 4.170 4.973 1.00 0.29 C ATOM 0 H LEU A 36 -2.141 8.105 7.049 1.00 0.27 H new ATOM 0 HA LEU A 36 -1.249 5.717 8.286 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -1.257 6.715 5.434 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.539 5.177 5.868 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.884 4.753 7.007 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.708 5.769 5.724 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.759 6.987 6.609 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.529 6.782 4.857 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.641 3.705 4.914 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.414 4.627 4.014 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.911 3.412 5.213 1.00 0.29 H new ATOM 576 N LEU A 37 0.991 7.838 7.158 1.00 0.41 N ATOM 577 CA LEU A 37 2.406 8.099 7.114 1.00 0.48 C ATOM 578 C LEU A 37 2.969 8.240 8.528 1.00 0.60 C ATOM 579 O LEU A 37 2.865 9.270 9.185 1.00 1.27 O ATOM 580 CB LEU A 37 2.737 9.278 6.161 1.00 0.76 C ATOM 581 CG LEU A 37 2.374 10.727 6.555 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.459 11.352 7.421 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.196 11.562 5.296 1.00 0.94 C ATOM 0 H LEU A 37 0.401 8.598 6.819 1.00 0.41 H new ATOM 0 HA LEU A 37 2.919 7.242 6.678 1.00 0.48 H new ATOM 0 HB2 LEU A 37 3.811 9.253 5.979 1.00 0.76 H new ATOM 0 HB3 LEU A 37 2.247 9.070 5.210 1.00 0.76 H new ATOM 0 HG LEU A 37 1.447 10.703 7.128 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.174 12.371 7.682 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.581 10.765 8.331 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.400 11.368 6.871 1.00 0.77 H new ATOM 0 HD21 LEU A 37 1.940 12.585 5.571 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.124 11.562 4.725 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.396 11.138 4.689 1.00 0.94 H new ATOM 595 N GLY A 38 3.462 7.122 9.024 1.00 0.31 N ATOM 596 CA GLY A 38 4.080 7.079 10.325 1.00 0.44 C ATOM 597 C GLY A 38 3.458 6.038 11.231 1.00 0.42 C ATOM 598 O GLY A 38 3.581 6.122 12.455 1.00 0.54 O ATOM 0 H GLY A 38 3.444 6.226 8.537 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.143 6.868 10.211 1.00 0.44 H new ATOM 0 HA3 GLY A 38 3.998 8.059 10.794 1.00 0.44 H new ATOM 602 N ARG A 39 2.796 5.048 10.645 1.00 0.34 N ATOM 603 CA ARG A 39 2.243 3.950 11.421 1.00 0.37 C ATOM 604 C ARG A 39 2.462 2.648 10.674 1.00 0.35 C ATOM 605 O ARG A 39 2.738 2.670 9.477 1.00 0.48 O ATOM 606 CB ARG A 39 0.753 4.158 11.656 1.00 0.48 C ATOM 607 CG ARG A 39 -0.056 4.070 10.378 1.00 0.48 C ATOM 608 CD ARG A 39 -1.552 4.079 10.663 1.00 0.69 C ATOM 609 NE ARG A 39 -2.004 5.352 11.223 1.00 1.38 N ATOM 610 CZ ARG A 39 -3.064 5.492 12.023 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.731 4.426 12.451 1.00 1.80 N ATOM 612 NH2 ARG A 39 -3.444 6.703 12.411 1.00 2.61 N ATOM 0 H ARG A 39 2.631 4.984 9.640 1.00 0.34 H new ATOM 0 HA ARG A 39 2.746 3.913 12.387 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.392 3.410 12.362 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.594 5.133 12.116 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.197 4.908 9.728 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.208 3.159 9.841 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -2.096 3.877 9.740 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.792 3.274 11.357 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.473 6.190 10.986 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -3.435 3.492 12.169 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -4.540 4.542 13.062 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.927 7.525 12.098 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -4.253 6.812 13.022 1.00 2.61 H new ATOM 626 N SER A 40 2.317 1.524 11.362 1.00 0.37 N ATOM 627 CA SER A 40 2.574 0.227 10.761 1.00 0.43 C ATOM 628 C SER A 40 1.400 -0.228 9.900 1.00 0.39 C ATOM 629 O SER A 40 0.278 -0.376 10.382 1.00 0.43 O ATOM 630 CB SER A 40 2.865 -0.813 11.844 1.00 0.57 C ATOM 631 OG SER A 40 3.987 -0.434 12.625 1.00 1.23 O ATOM 0 H SER A 40 2.022 1.486 12.338 1.00 0.37 H new ATOM 0 HA SER A 40 3.448 0.326 10.117 1.00 0.43 H new ATOM 0 HB2 SER A 40 1.992 -0.928 12.487 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.050 -1.783 11.382 1.00 0.57 H new ATOM 0 HG SER A 40 4.152 -1.114 13.312 1.00 1.23 H new ATOM 637 N ALA A 41 1.685 -0.437 8.619 1.00 0.35 N ATOM 638 CA ALA A 41 0.697 -0.911 7.658 1.00 0.34 C ATOM 639 C ALA A 41 -0.059 -2.107 8.189 1.00 0.33 C ATOM 640 O ALA A 41 -1.279 -2.114 8.184 1.00 0.33 O ATOM 641 CB ALA A 41 1.365 -1.285 6.342 1.00 0.35 C ATOM 0 H ALA A 41 2.610 -0.282 8.218 1.00 0.35 H new ATOM 0 HA ALA A 41 -0.008 -0.097 7.491 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.611 -1.636 5.638 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.868 -0.411 5.928 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.095 -2.076 6.516 1.00 0.35 H new ATOM 647 N TYR A 42 0.678 -3.090 8.692 1.00 0.37 N ATOM 648 CA TYR A 42 0.128 -4.401 9.036 1.00 0.42 C ATOM 649 C TYR A 42 -1.012 -4.340 10.062 1.00 0.47 C ATOM 650 O TYR A 42 -1.695 -5.338 10.282 1.00 0.55 O ATOM 651 CB TYR A 42 1.246 -5.314 9.538 1.00 0.47 C ATOM 652 CG TYR A 42 2.356 -5.521 8.527 1.00 0.54 C ATOM 653 CD1 TYR A 42 2.125 -6.212 7.343 1.00 0.72 C ATOM 654 CD2 TYR A 42 3.634 -5.022 8.755 1.00 0.67 C ATOM 655 CE1 TYR A 42 3.134 -6.400 6.418 1.00 0.90 C ATOM 656 CE2 TYR A 42 4.648 -5.206 7.833 1.00 0.84 C ATOM 657 CZ TYR A 42 4.393 -5.895 6.667 1.00 0.91 C ATOM 658 OH TYR A 42 5.401 -6.085 5.749 1.00 1.14 O ATOM 0 H TYR A 42 1.678 -3.003 8.874 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.309 -4.807 8.124 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.669 -4.890 10.449 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.822 -6.282 9.804 1.00 0.47 H new ATOM 0 HD1 TYR A 42 1.141 -6.608 7.143 1.00 0.72 H new ATOM 0 HD2 TYR A 42 3.838 -4.482 9.668 1.00 0.67 H new ATOM 0 HE1 TYR A 42 2.938 -6.940 5.504 1.00 0.90 H new ATOM 0 HE2 TYR A 42 5.635 -4.812 8.026 1.00 0.84 H new ATOM 0 HH TYR A 42 6.224 -5.666 6.076 1.00 1.14 H new ATOM 668 N GLU A 43 -1.234 -3.180 10.673 1.00 0.48 N ATOM 669 CA GLU A 43 -2.333 -3.014 11.620 1.00 0.56 C ATOM 670 C GLU A 43 -3.677 -2.962 10.885 1.00 0.57 C ATOM 671 O GLU A 43 -4.736 -3.085 11.499 1.00 1.01 O ATOM 672 CB GLU A 43 -2.130 -1.736 12.435 1.00 0.65 C ATOM 673 CG GLU A 43 -0.887 -1.771 13.312 1.00 0.95 C ATOM 674 CD GLU A 43 -0.589 -0.438 13.969 1.00 1.72 C ATOM 675 OE1 GLU A 43 -1.424 0.036 14.766 1.00 1.89 O ATOM 676 OE2 GLU A 43 0.467 0.158 13.672 1.00 2.57 O ATOM 0 H GLU A 43 -0.669 -2.343 10.530 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.343 -3.870 12.294 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.062 -0.887 11.755 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.005 -1.572 13.064 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.015 -2.530 14.084 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.031 -2.072 12.708 1.00 0.95 H new ATOM 683 N PHE A 44 -3.615 -2.800 9.566 1.00 0.40 N ATOM 684 CA PHE A 44 -4.804 -2.652 8.725 1.00 0.38 C ATOM 685 C PHE A 44 -4.500 -3.083 7.295 1.00 0.30 C ATOM 686 O PHE A 44 -5.363 -3.044 6.413 1.00 0.40 O ATOM 687 CB PHE A 44 -5.273 -1.192 8.742 1.00 0.48 C ATOM 688 CG PHE A 44 -4.209 -0.209 8.339 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.350 0.325 9.283 1.00 0.50 C ATOM 690 CD2 PHE A 44 -4.070 0.182 7.016 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.374 1.229 8.919 1.00 0.56 C ATOM 692 CE2 PHE A 44 -3.096 1.086 6.647 1.00 0.77 C ATOM 693 CZ PHE A 44 -2.240 1.601 7.593 1.00 0.70 C ATOM 0 H PHE A 44 -2.738 -2.767 9.047 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.595 -3.289 9.120 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.126 -1.086 8.071 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.623 -0.944 9.744 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.445 0.030 10.318 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.732 -0.226 6.266 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.716 1.646 9.667 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -3.005 1.390 5.615 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.465 2.294 7.301 1.00 0.70 H new ATOM 703 N TYR A 45 -3.257 -3.480 7.071 1.00 0.29 N ATOM 704 CA TYR A 45 -2.778 -3.931 5.778 1.00 0.28 C ATOM 705 C TYR A 45 -3.374 -5.280 5.417 1.00 0.30 C ATOM 706 O TYR A 45 -2.682 -6.294 5.462 1.00 0.37 O ATOM 707 CB TYR A 45 -1.253 -4.048 5.836 1.00 0.34 C ATOM 708 CG TYR A 45 -0.530 -3.765 4.543 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.948 -2.735 3.710 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.542 -4.547 4.136 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.313 -2.486 2.512 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.180 -4.309 2.936 1.00 0.68 C ATOM 713 CZ TYR A 45 0.855 -3.212 2.200 1.00 0.68 C ATOM 714 OH TYR A 45 1.378 -3.040 0.927 1.00 0.85 O ATOM 0 H TYR A 45 -2.541 -3.497 7.798 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.079 -3.211 5.017 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.882 -3.361 6.597 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.996 -5.055 6.163 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.784 -2.119 4.006 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.882 -5.354 4.768 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.703 -1.749 1.825 1.00 0.61 H new ATOM 0 HE2 TYR A 45 1.937 -4.993 2.581 1.00 0.68 H new ATOM 0 HH TYR A 45 1.950 -3.804 0.702 1.00 0.85 H new ATOM 724 N HIS A 46 -4.665 -5.270 5.090 1.00 0.28 N ATOM 725 CA HIS A 46 -5.380 -6.463 4.630 1.00 0.31 C ATOM 726 C HIS A 46 -5.588 -7.430 5.797 1.00 0.37 C ATOM 727 O HIS A 46 -4.638 -8.026 6.271 1.00 0.57 O ATOM 728 CB HIS A 46 -4.609 -7.178 3.504 1.00 0.37 C ATOM 729 CG HIS A 46 -3.878 -6.264 2.569 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.504 -6.190 2.518 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.332 -5.357 1.685 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.151 -5.269 1.647 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.239 -4.747 1.125 1.00 0.43 N ATOM 0 H HIS A 46 -5.247 -4.434 5.136 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.346 -6.144 4.238 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.892 -7.866 3.953 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.311 -7.780 2.927 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.367 -5.148 1.458 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.137 -4.989 1.402 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.266 -4.010 0.420 1.00 0.43 H new ATOM 742 N ALA A 47 -6.817 -7.582 6.270 1.00 0.39 N ATOM 743 CA ALA A 47 -7.066 -8.444 7.431 1.00 0.44 C ATOM 744 C ALA A 47 -6.641 -9.893 7.172 1.00 0.44 C ATOM 745 O ALA A 47 -5.731 -10.404 7.818 1.00 0.48 O ATOM 746 CB ALA A 47 -8.534 -8.392 7.817 1.00 0.57 C ATOM 0 H ALA A 47 -7.646 -7.132 5.882 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.460 -8.066 8.255 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.706 -9.036 8.680 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.808 -7.367 8.068 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.143 -8.736 6.981 1.00 0.57 H new ATOM 752 N LEU A 48 -7.281 -10.536 6.207 1.00 0.48 N ATOM 753 CA LEU A 48 -6.962 -11.921 5.856 1.00 0.53 C ATOM 754 C LEU A 48 -5.931 -11.979 4.736 1.00 0.48 C ATOM 755 O LEU A 48 -5.299 -13.008 4.508 1.00 0.52 O ATOM 756 CB LEU A 48 -8.223 -12.696 5.441 1.00 0.67 C ATOM 757 CG LEU A 48 -8.910 -12.232 4.151 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.907 -13.279 3.680 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.616 -10.900 4.358 1.00 0.99 C ATOM 0 H LEU A 48 -8.028 -10.123 5.648 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.542 -12.390 6.746 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.957 -13.747 5.328 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.946 -12.635 6.255 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.143 -12.100 3.388 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.388 -12.937 2.763 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.386 -14.217 3.489 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.663 -13.434 4.450 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.095 -10.594 3.428 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.371 -11.006 5.137 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -8.889 -10.145 4.657 1.00 0.99 H new ATOM 771 N ASP A 49 -5.763 -10.862 4.053 1.00 0.45 N ATOM 772 CA ASP A 49 -4.941 -10.803 2.848 1.00 0.45 C ATOM 773 C ASP A 49 -3.531 -10.295 3.184 1.00 0.41 C ATOM 774 O ASP A 49 -2.643 -10.238 2.332 1.00 0.49 O ATOM 775 CB ASP A 49 -5.646 -9.884 1.846 1.00 0.55 C ATOM 776 CG ASP A 49 -4.839 -9.604 0.601 1.00 0.91 C ATOM 777 OD1 ASP A 49 -4.919 -10.408 -0.349 1.00 1.07 O ATOM 778 OD2 ASP A 49 -4.163 -8.554 0.563 1.00 1.64 O ATOM 0 H ASP A 49 -6.188 -9.972 4.312 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.824 -11.796 2.413 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -6.595 -10.336 1.558 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -5.879 -8.939 2.336 1.00 0.55 H new ATOM 783 N SER A 50 -3.346 -9.958 4.455 1.00 0.36 N ATOM 784 CA SER A 50 -2.077 -9.419 4.963 1.00 0.35 C ATOM 785 C SER A 50 -0.895 -10.278 4.537 1.00 0.35 C ATOM 786 O SER A 50 -0.028 -9.814 3.797 1.00 0.41 O ATOM 787 CB SER A 50 -2.102 -9.326 6.489 1.00 0.37 C ATOM 788 OG SER A 50 -1.046 -8.513 6.975 1.00 1.25 O ATOM 0 H SER A 50 -4.069 -10.049 5.169 1.00 0.36 H new ATOM 0 HA SER A 50 -1.959 -8.423 4.537 1.00 0.35 H new ATOM 0 HB2 SER A 50 -3.058 -8.916 6.815 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.021 -10.325 6.917 1.00 0.37 H new ATOM 0 HG SER A 50 -1.201 -7.582 6.711 1.00 1.25 H new ATOM 794 N GLU A 51 -0.892 -11.531 4.992 1.00 0.38 N ATOM 795 CA GLU A 51 0.203 -12.465 4.735 1.00 0.45 C ATOM 796 C GLU A 51 0.633 -12.464 3.278 1.00 0.43 C ATOM 797 O GLU A 51 1.822 -12.414 2.976 1.00 0.47 O ATOM 798 CB GLU A 51 -0.211 -13.875 5.136 1.00 0.55 C ATOM 799 CG GLU A 51 -0.080 -14.149 6.624 1.00 1.32 C ATOM 800 CD GLU A 51 1.371 -14.262 7.055 1.00 1.99 C ATOM 801 OE1 GLU A 51 1.946 -15.367 6.961 1.00 2.49 O ATOM 802 OE2 GLU A 51 1.940 -13.241 7.497 1.00 2.68 O ATOM 0 H GLU A 51 -1.649 -11.927 5.549 1.00 0.38 H new ATOM 0 HA GLU A 51 1.052 -12.136 5.334 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.245 -14.040 4.835 1.00 0.55 H new ATOM 0 HB3 GLU A 51 0.399 -14.593 4.588 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -0.563 -13.349 7.184 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -0.604 -15.072 6.870 1.00 1.32 H new ATOM 809 N ASN A 52 -0.333 -12.513 2.378 1.00 0.43 N ATOM 810 CA ASN A 52 -0.033 -12.575 0.957 1.00 0.48 C ATOM 811 C ASN A 52 0.761 -11.352 0.508 1.00 0.41 C ATOM 812 O ASN A 52 1.788 -11.484 -0.159 1.00 0.44 O ATOM 813 CB ASN A 52 -1.307 -12.708 0.130 1.00 0.56 C ATOM 814 CG ASN A 52 -2.122 -13.930 0.508 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.054 -13.847 1.311 1.00 1.96 O ATOM 816 ND2 ASN A 52 -1.756 -15.078 -0.037 1.00 1.31 N ATOM 0 H ASN A 52 -1.328 -12.511 2.603 1.00 0.43 H new ATOM 0 HA ASN A 52 0.578 -13.462 0.792 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.917 -11.814 0.262 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.046 -12.763 -0.927 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.251 -15.937 0.203 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -0.979 -15.104 -0.697 1.00 1.31 H new ATOM 823 N MET A 53 0.307 -10.160 0.888 1.00 0.35 N ATOM 824 CA MET A 53 1.017 -8.941 0.529 1.00 0.35 C ATOM 825 C MET A 53 2.315 -8.809 1.335 1.00 0.34 C ATOM 826 O MET A 53 3.298 -8.256 0.851 1.00 0.35 O ATOM 827 CB MET A 53 0.120 -7.720 0.731 1.00 0.42 C ATOM 828 CG MET A 53 0.290 -6.655 -0.346 1.00 0.96 C ATOM 829 SD MET A 53 1.862 -5.779 -0.239 1.00 1.28 S ATOM 830 CE MET A 53 1.819 -4.832 -1.758 1.00 0.79 C ATOM 0 H MET A 53 -0.540 -10.015 1.438 1.00 0.35 H new ATOM 0 HA MET A 53 1.283 -8.996 -0.526 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.921 -8.043 0.750 1.00 0.42 H new ATOM 0 HB3 MET A 53 0.335 -7.279 1.704 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.209 -7.124 -1.327 1.00 0.96 H new ATOM 0 HG3 MET A 53 -0.525 -5.936 -0.268 1.00 0.96 H new ATOM 0 HE1 MET A 53 2.808 -4.418 -1.957 1.00 0.79 H new ATOM 0 HE2 MET A 53 1.524 -5.481 -2.583 1.00 0.79 H new ATOM 0 HE3 MET A 53 1.099 -4.020 -1.660 1.00 0.79 H new ATOM 840 N THR A 54 2.330 -9.344 2.556 1.00 0.37 N ATOM 841 CA THR A 54 3.550 -9.375 3.360 1.00 0.45 C ATOM 842 C THR A 54 4.639 -10.185 2.648 1.00 0.45 C ATOM 843 O THR A 54 5.820 -9.838 2.678 1.00 0.48 O ATOM 844 CB THR A 54 3.288 -9.984 4.753 1.00 0.55 C ATOM 845 OG1 THR A 54 2.209 -9.295 5.396 1.00 0.57 O ATOM 846 CG2 THR A 54 4.531 -9.902 5.624 1.00 0.72 C ATOM 0 H THR A 54 1.515 -9.760 3.007 1.00 0.37 H new ATOM 0 HA THR A 54 3.886 -8.346 3.488 1.00 0.45 H new ATOM 0 HB THR A 54 3.024 -11.033 4.619 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.390 -9.405 4.869 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.320 -10.338 6.601 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.345 -10.451 5.150 1.00 0.72 H new ATOM 0 HG23 THR A 54 4.821 -8.858 5.747 1.00 0.72 H new ATOM 854 N LYS A 55 4.228 -11.255 1.985 1.00 0.46 N ATOM 855 CA LYS A 55 5.152 -12.078 1.218 1.00 0.52 C ATOM 856 C LYS A 55 5.421 -11.433 -0.133 1.00 0.41 C ATOM 857 O LYS A 55 6.419 -11.726 -0.783 1.00 0.42 O ATOM 858 CB LYS A 55 4.624 -13.507 1.057 1.00 0.67 C ATOM 859 CG LYS A 55 4.874 -14.390 2.277 1.00 0.95 C ATOM 860 CD LYS A 55 4.361 -13.738 3.553 1.00 1.14 C ATOM 861 CE LYS A 55 4.666 -14.555 4.799 1.00 1.37 C ATOM 862 NZ LYS A 55 4.109 -15.933 4.741 1.00 1.49 N ATOM 0 H LYS A 55 3.260 -11.575 1.962 1.00 0.46 H new ATOM 0 HA LYS A 55 6.093 -12.144 1.765 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.553 -13.470 0.859 1.00 0.67 H new ATOM 0 HB3 LYS A 55 5.094 -13.963 0.186 1.00 0.67 H new ATOM 0 HG2 LYS A 55 4.383 -15.353 2.137 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.942 -14.587 2.372 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.808 -12.749 3.655 1.00 1.14 H new ATOM 0 HD3 LYS A 55 3.283 -13.594 3.474 1.00 1.14 H new ATOM 0 HE2 LYS A 55 5.746 -14.611 4.935 1.00 1.37 H new ATOM 0 HE3 LYS A 55 4.261 -14.042 5.671 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 3.580 -16.131 5.614 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 3.471 -16.016 3.924 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 4.886 -16.618 4.644 1.00 1.49 H new ATOM 876 N SER A 56 4.522 -10.556 -0.556 1.00 0.36 N ATOM 877 CA SER A 56 4.758 -9.735 -1.731 1.00 0.34 C ATOM 878 C SER A 56 5.837 -8.697 -1.401 1.00 0.28 C ATOM 879 O SER A 56 6.601 -8.272 -2.266 1.00 0.28 O ATOM 880 CB SER A 56 3.457 -9.060 -2.182 1.00 0.39 C ATOM 881 OG SER A 56 3.513 -8.684 -3.546 1.00 1.26 O ATOM 0 H SER A 56 3.623 -10.396 -0.102 1.00 0.36 H new ATOM 0 HA SER A 56 5.105 -10.358 -2.555 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.620 -9.740 -2.025 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.271 -8.179 -1.568 1.00 0.39 H new ATOM 0 HG SER A 56 2.806 -8.033 -3.735 1.00 1.26 H new ATOM 887 N HIS A 57 5.899 -8.317 -0.123 1.00 0.29 N ATOM 888 CA HIS A 57 6.992 -7.499 0.405 1.00 0.30 C ATOM 889 C HIS A 57 8.307 -8.280 0.303 1.00 0.31 C ATOM 890 O HIS A 57 9.374 -7.696 0.121 1.00 0.34 O ATOM 891 CB HIS A 57 6.684 -7.095 1.864 1.00 0.35 C ATOM 892 CG HIS A 57 7.783 -6.358 2.595 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.104 -6.614 3.915 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.609 -5.349 2.208 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.073 -5.803 4.300 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.397 -5.027 3.288 1.00 0.39 N ATOM 0 H HIS A 57 5.196 -8.567 0.572 1.00 0.29 H new ATOM 0 HA HIS A 57 7.092 -6.585 -0.181 1.00 0.30 H new ATOM 0 HB2 HIS A 57 5.791 -6.470 1.866 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.443 -7.997 2.426 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.640 -4.886 1.233 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.524 -5.781 5.281 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.116 -4.304 3.302 1.00 0.39 H new ATOM 905 N GLN A 58 8.213 -9.608 0.399 1.00 0.32 N ATOM 906 CA GLN A 58 9.381 -10.472 0.209 1.00 0.37 C ATOM 907 C GLN A 58 9.685 -10.633 -1.280 1.00 0.33 C ATOM 908 O GLN A 58 10.832 -10.836 -1.678 1.00 0.37 O ATOM 909 CB GLN A 58 9.155 -11.850 0.842 1.00 0.46 C ATOM 910 CG GLN A 58 8.980 -11.815 2.351 1.00 1.24 C ATOM 911 CD GLN A 58 10.047 -10.987 3.036 1.00 1.77 C ATOM 912 OE1 GLN A 58 11.125 -11.483 3.357 1.00 2.36 O ATOM 913 NE2 GLN A 58 9.741 -9.725 3.284 1.00 2.26 N ATOM 0 H GLN A 58 7.347 -10.106 0.606 1.00 0.32 H new ATOM 0 HA GLN A 58 10.231 -10.000 0.701 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.271 -12.304 0.394 1.00 0.46 H new ATOM 0 HB3 GLN A 58 10.001 -12.493 0.599 1.00 0.46 H new ATOM 0 HG2 GLN A 58 7.998 -11.408 2.591 1.00 1.24 H new ATOM 0 HG3 GLN A 58 9.007 -12.832 2.741 1.00 1.24 H new ATOM 0 HE21 GLN A 58 8.834 -9.355 3.000 1.00 2.26 H new ATOM 0 HE22 GLN A 58 10.412 -9.122 3.760 1.00 2.26 H new ATOM 922 N ASN A 59 8.648 -10.498 -2.096 1.00 0.28 N ATOM 923 CA ASN A 59 8.770 -10.661 -3.542 1.00 0.28 C ATOM 924 C ASN A 59 9.439 -9.439 -4.134 1.00 0.29 C ATOM 925 O ASN A 59 10.408 -9.538 -4.883 1.00 0.34 O ATOM 926 CB ASN A 59 7.393 -10.848 -4.173 1.00 0.30 C ATOM 927 CG ASN A 59 7.455 -11.015 -5.680 1.00 0.38 C ATOM 928 OD1 ASN A 59 7.613 -12.125 -6.183 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.310 -9.919 -6.410 1.00 0.83 N ATOM 0 H ASN A 59 7.705 -10.274 -1.779 1.00 0.28 H new ATOM 0 HA ASN A 59 9.374 -11.545 -3.748 1.00 0.28 H new ATOM 0 HB2 ASN A 59 6.913 -11.723 -3.734 1.00 0.30 H new ATOM 0 HB3 ASN A 59 6.768 -9.988 -3.933 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.327 -9.978 -7.428 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.181 -9.016 -5.954 1.00 0.83 H new ATOM 936 N LEU A 60 8.891 -8.287 -3.777 1.00 0.27 N ATOM 937 CA LEU A 60 9.420 -6.992 -4.184 1.00 0.28 C ATOM 938 C LEU A 60 10.909 -6.882 -3.869 1.00 0.34 C ATOM 939 O LEU A 60 11.675 -6.323 -4.649 1.00 0.43 O ATOM 940 CB LEU A 60 8.638 -5.892 -3.461 1.00 0.25 C ATOM 941 CG LEU A 60 9.137 -4.469 -3.662 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.038 -4.067 -5.121 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.350 -3.512 -2.785 1.00 0.33 C ATOM 0 H LEU A 60 8.059 -8.223 -3.191 1.00 0.27 H new ATOM 0 HA LEU A 60 9.305 -6.881 -5.262 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.599 -5.940 -3.787 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.647 -6.111 -2.393 1.00 0.25 H new ATOM 0 HG LEU A 60 10.187 -4.423 -3.372 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.400 -3.046 -5.242 1.00 0.29 H new ATOM 0 HD12 LEU A 60 9.644 -4.741 -5.726 1.00 0.29 H new ATOM 0 HD13 LEU A 60 7.999 -4.124 -5.445 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.715 -2.496 -2.936 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.294 -3.561 -3.049 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.475 -3.791 -1.739 1.00 0.33 H new ATOM 955 N CYS A 61 11.307 -7.441 -2.737 1.00 0.36 N ATOM 956 CA CYS A 61 12.698 -7.395 -2.308 1.00 0.48 C ATOM 957 C CYS A 61 13.591 -8.130 -3.308 1.00 0.58 C ATOM 958 O CYS A 61 14.536 -7.562 -3.853 1.00 0.92 O ATOM 959 CB CYS A 61 12.839 -8.012 -0.911 1.00 0.54 C ATOM 960 SG CYS A 61 14.514 -7.952 -0.228 1.00 1.20 S ATOM 0 H CYS A 61 10.685 -7.934 -2.096 1.00 0.36 H new ATOM 0 HA CYS A 61 13.016 -6.353 -2.265 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.164 -7.494 -0.230 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.515 -9.052 -0.953 1.00 0.54 H new ATOM 0 HG CYS A 61 14.521 -8.496 0.953 1.00 1.20 H new ATOM 966 N THR A 62 13.284 -9.397 -3.545 1.00 0.54 N ATOM 967 CA THR A 62 14.060 -10.222 -4.466 1.00 0.76 C ATOM 968 C THR A 62 13.780 -9.912 -5.938 1.00 0.60 C ATOM 969 O THR A 62 14.240 -10.626 -6.830 1.00 0.82 O ATOM 970 CB THR A 62 13.789 -11.712 -4.181 1.00 1.11 C ATOM 971 OG1 THR A 62 13.721 -11.918 -2.763 1.00 1.27 O ATOM 972 CG2 THR A 62 14.884 -12.595 -4.755 1.00 1.45 C ATOM 0 H THR A 62 12.498 -9.881 -3.110 1.00 0.54 H new ATOM 0 HA THR A 62 15.110 -9.987 -4.294 1.00 0.76 H new ATOM 0 HB THR A 62 12.845 -11.981 -4.654 1.00 1.11 H new ATOM 0 HG1 THR A 62 13.547 -12.864 -2.578 1.00 1.27 H new ATOM 0 HG21 THR A 62 14.662 -13.639 -4.536 1.00 1.45 H new ATOM 0 HG22 THR A 62 14.937 -12.454 -5.835 1.00 1.45 H new ATOM 0 HG23 THR A 62 15.841 -12.326 -4.307 1.00 1.45 H new ATOM 980 N LYS A 63 13.050 -8.850 -6.210 1.00 0.50 N ATOM 981 CA LYS A 63 12.757 -8.504 -7.588 1.00 0.43 C ATOM 982 C LYS A 63 13.089 -7.051 -7.930 1.00 0.39 C ATOM 983 O LYS A 63 13.385 -6.738 -9.085 1.00 0.39 O ATOM 984 CB LYS A 63 11.300 -8.793 -7.902 1.00 0.45 C ATOM 985 CG LYS A 63 10.982 -10.268 -8.096 1.00 0.54 C ATOM 986 CD LYS A 63 11.744 -10.841 -9.278 1.00 0.68 C ATOM 987 CE LYS A 63 11.337 -12.276 -9.574 1.00 0.85 C ATOM 988 NZ LYS A 63 11.646 -13.201 -8.453 1.00 1.76 N ATOM 0 H LYS A 63 12.655 -8.221 -5.511 1.00 0.50 H new ATOM 0 HA LYS A 63 13.402 -9.126 -8.208 1.00 0.43 H new ATOM 0 HB2 LYS A 63 10.682 -8.403 -7.093 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.021 -8.251 -8.806 1.00 0.45 H new ATOM 0 HG2 LYS A 63 11.238 -10.820 -7.192 1.00 0.54 H new ATOM 0 HG3 LYS A 63 9.911 -10.395 -8.254 1.00 0.54 H new ATOM 0 HD2 LYS A 63 11.565 -10.224 -10.159 1.00 0.68 H new ATOM 0 HD3 LYS A 63 12.814 -10.802 -9.073 1.00 0.68 H new ATOM 0 HE2 LYS A 63 10.268 -12.310 -9.784 1.00 0.85 H new ATOM 0 HE3 LYS A 63 11.850 -12.617 -10.473 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 11.412 -14.175 -8.732 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 12.658 -13.141 -8.222 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 11.085 -12.935 -7.619 1.00 1.76 H new ATOM 1002 N GLY A 64 13.052 -6.164 -6.942 1.00 0.40 N ATOM 1003 CA GLY A 64 13.235 -4.744 -7.208 1.00 0.42 C ATOM 1004 C GLY A 64 11.970 -4.088 -7.730 1.00 0.37 C ATOM 1005 O GLY A 64 11.909 -2.869 -7.898 1.00 0.41 O ATOM 0 H GLY A 64 12.899 -6.400 -5.961 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.550 -4.243 -6.293 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.036 -4.613 -7.935 1.00 0.42 H new ATOM 1009 N GLN A 65 10.955 -4.906 -7.950 1.00 0.34 N ATOM 1010 CA GLN A 65 9.680 -4.469 -8.498 1.00 0.33 C ATOM 1011 C GLN A 65 8.649 -5.551 -8.219 1.00 0.34 C ATOM 1012 O GLN A 65 9.000 -6.723 -8.118 1.00 0.43 O ATOM 1013 CB GLN A 65 9.783 -4.215 -10.011 1.00 0.41 C ATOM 1014 CG GLN A 65 8.448 -3.852 -10.656 1.00 0.49 C ATOM 1015 CD GLN A 65 8.514 -3.776 -12.169 1.00 0.81 C ATOM 1016 OE1 GLN A 65 8.354 -4.784 -12.855 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.701 -2.579 -12.702 1.00 1.32 N ATOM 0 H GLN A 65 10.993 -5.906 -7.751 1.00 0.34 H new ATOM 0 HA GLN A 65 9.386 -3.530 -8.028 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.495 -3.409 -10.189 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.182 -5.106 -10.495 1.00 0.41 H new ATOM 0 HG2 GLN A 65 7.701 -4.591 -10.369 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.113 -2.891 -10.265 1.00 0.49 H new ATOM 0 HE21 GLN A 65 8.830 -1.767 -12.099 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.716 -2.469 -13.716 1.00 1.32 H new ATOM 1026 N VAL A 66 7.395 -5.168 -8.066 1.00 0.32 N ATOM 1027 CA VAL A 66 6.347 -6.134 -7.797 1.00 0.35 C ATOM 1028 C VAL A 66 5.035 -5.702 -8.440 1.00 0.33 C ATOM 1029 O VAL A 66 4.683 -4.523 -8.425 1.00 0.32 O ATOM 1030 CB VAL A 66 6.147 -6.346 -6.275 1.00 0.36 C ATOM 1031 CG1 VAL A 66 5.784 -5.051 -5.576 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.084 -7.385 -6.002 1.00 0.44 C ATOM 0 H VAL A 66 7.079 -4.200 -8.123 1.00 0.32 H new ATOM 0 HA VAL A 66 6.659 -7.082 -8.234 1.00 0.35 H new ATOM 0 HB VAL A 66 7.098 -6.701 -5.877 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.651 -5.238 -4.510 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.583 -4.323 -5.720 1.00 0.31 H new ATOM 0 HG13 VAL A 66 4.857 -4.660 -5.994 1.00 0.31 H new ATOM 0 HG21 VAL A 66 4.967 -7.511 -4.926 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.138 -7.060 -6.434 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.380 -8.334 -6.449 1.00 0.44 H new ATOM 1042 N VAL A 67 4.335 -6.650 -9.038 1.00 0.39 N ATOM 1043 CA VAL A 67 3.014 -6.385 -9.574 1.00 0.45 C ATOM 1044 C VAL A 67 1.986 -7.240 -8.847 1.00 0.49 C ATOM 1045 O VAL A 67 1.755 -8.401 -9.194 1.00 0.92 O ATOM 1046 CB VAL A 67 2.939 -6.655 -11.093 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.550 -6.337 -11.632 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.000 -5.855 -11.835 1.00 1.16 C ATOM 0 H VAL A 67 4.660 -7.609 -9.164 1.00 0.39 H new ATOM 0 HA VAL A 67 2.799 -5.328 -9.418 1.00 0.45 H new ATOM 0 HB VAL A 67 3.133 -7.715 -11.259 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.521 -6.535 -12.704 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.812 -6.961 -11.128 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.321 -5.287 -11.451 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.929 -6.060 -12.903 1.00 1.16 H new ATOM 0 HG22 VAL A 67 3.843 -4.791 -11.659 1.00 1.16 H new ATOM 0 HG23 VAL A 67 4.989 -6.140 -11.475 1.00 1.16 H new ATOM 1058 N SER A 68 1.418 -6.676 -7.798 1.00 0.52 N ATOM 1059 CA SER A 68 0.384 -7.344 -7.029 1.00 0.54 C ATOM 1060 C SER A 68 -0.944 -7.282 -7.770 1.00 0.53 C ATOM 1061 O SER A 68 -1.091 -6.522 -8.729 1.00 0.94 O ATOM 1062 CB SER A 68 0.255 -6.686 -5.655 1.00 0.58 C ATOM 1063 OG SER A 68 1.525 -6.553 -5.032 1.00 1.39 O ATOM 0 H SER A 68 1.659 -5.746 -7.456 1.00 0.52 H new ATOM 0 HA SER A 68 0.659 -8.390 -6.896 1.00 0.54 H new ATOM 0 HB2 SER A 68 -0.207 -5.704 -5.760 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.403 -7.282 -5.023 1.00 0.58 H new ATOM 0 HG SER A 68 2.154 -7.188 -5.433 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.907 -8.079 -7.336 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.225 -7.990 -7.886 1.00 0.43 C ATOM 1071 C GLY A 69 -4.163 -7.395 -6.874 1.00 0.38 C ATOM 1072 O GLY A 69 -3.717 -6.909 -5.836 1.00 0.42 O ATOM 0 H GLY A 69 -1.790 -8.786 -6.610 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.212 -7.377 -8.787 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.573 -8.980 -8.180 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.441 -7.410 -7.186 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.466 -7.000 -6.258 1.00 0.43 C ATOM 1078 C GLN A 70 -6.299 -7.707 -4.913 1.00 0.35 C ATOM 1079 O GLN A 70 -6.460 -8.924 -4.808 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.827 -7.350 -6.839 1.00 0.62 C ATOM 1081 CG GLN A 70 -7.986 -6.987 -8.304 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.400 -7.199 -8.801 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.141 -8.021 -8.264 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.771 -6.494 -9.858 1.00 1.31 N ATOM 0 H GLN A 70 -5.797 -7.708 -8.094 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.383 -5.925 -6.098 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -7.997 -8.420 -6.720 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -8.599 -6.839 -6.263 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.705 -5.944 -8.450 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -7.300 -7.588 -8.901 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -9.127 -5.822 -10.274 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.701 -6.623 -10.256 1.00 1.31 H new ATOM 1093 N TYR A 71 -5.931 -6.929 -3.916 1.00 0.35 N ATOM 1094 CA TYR A 71 -5.853 -7.385 -2.542 1.00 0.36 C ATOM 1095 C TYR A 71 -6.907 -6.647 -1.745 1.00 0.32 C ATOM 1096 O TYR A 71 -7.541 -5.728 -2.264 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.461 -7.119 -1.955 1.00 0.38 C ATOM 1098 CG TYR A 71 -3.939 -5.734 -2.244 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -4.480 -4.609 -1.627 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -2.932 -5.551 -3.173 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.021 -3.342 -1.930 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.480 -4.290 -3.490 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.025 -3.187 -2.868 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.582 -1.924 -3.210 1.00 0.68 O ATOM 0 H TYR A 71 -5.674 -5.949 -4.038 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.026 -8.460 -2.500 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -4.497 -7.267 -0.876 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -3.761 -7.853 -2.354 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -5.270 -4.729 -0.901 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.493 -6.411 -3.658 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -4.440 -2.479 -1.435 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.699 -4.165 -4.225 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.317 -1.440 -2.400 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.081 -7.006 -0.494 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.145 -6.408 0.286 1.00 0.33 C ATOM 1116 C ARG A 72 -7.584 -5.515 1.377 1.00 0.27 C ATOM 1117 O ARG A 72 -7.111 -6.016 2.391 1.00 0.28 O ATOM 1118 CB ARG A 72 -8.993 -7.501 0.916 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.186 -6.965 1.669 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.859 -8.055 2.485 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.888 -8.774 1.734 1.00 1.10 N ATOM 1122 CZ ARG A 72 -11.749 -10.006 1.253 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -10.566 -10.610 1.268 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.795 -10.619 0.724 1.00 1.52 N ATOM 0 H ARG A 72 -6.513 -7.695 -0.000 1.00 0.36 H new ATOM 0 HA ARG A 72 -8.757 -5.800 -0.380 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.338 -8.180 0.136 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -8.374 -8.086 1.597 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -9.869 -6.157 2.329 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -10.902 -6.540 0.965 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.105 -8.763 2.828 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.308 -7.612 3.374 1.00 1.06 H new ATOM 0 HE ARG A 72 -12.774 -8.297 1.568 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -9.752 -10.129 1.651 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -10.471 -11.555 0.896 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.698 -10.147 0.688 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -12.698 -11.564 0.352 1.00 1.52 H new ATOM 1138 N MET A 73 -7.662 -4.202 1.207 1.00 0.26 N ATOM 1139 CA MET A 73 -7.078 -3.313 2.202 1.00 0.26 C ATOM 1140 C MET A 73 -8.166 -2.671 3.053 1.00 0.23 C ATOM 1141 O MET A 73 -9.244 -2.346 2.560 1.00 0.24 O ATOM 1142 CB MET A 73 -6.213 -2.240 1.555 1.00 0.30 C ATOM 1143 CG MET A 73 -5.259 -1.577 2.537 1.00 0.35 C ATOM 1144 SD MET A 73 -4.255 -0.299 1.763 1.00 0.77 S ATOM 1145 CE MET A 73 -3.392 0.356 3.187 1.00 0.60 C ATOM 0 H MET A 73 -8.109 -3.740 0.415 1.00 0.26 H new ATOM 0 HA MET A 73 -6.438 -3.917 2.845 1.00 0.26 H new ATOM 0 HB2 MET A 73 -5.639 -2.685 0.742 1.00 0.30 H new ATOM 0 HB3 MET A 73 -6.857 -1.480 1.112 1.00 0.30 H new ATOM 0 HG2 MET A 73 -5.831 -1.140 3.356 1.00 0.35 H new ATOM 0 HG3 MET A 73 -4.606 -2.334 2.972 1.00 0.35 H new ATOM 0 HE1 MET A 73 -3.312 1.439 3.097 1.00 0.60 H new ATOM 0 HE2 MET A 73 -3.944 0.107 4.093 1.00 0.60 H new ATOM 0 HE3 MET A 73 -2.394 -0.078 3.239 1.00 0.60 H new ATOM 1155 N LEU A 74 -7.883 -2.531 4.339 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.824 -1.937 5.277 1.00 0.25 C ATOM 1157 C LEU A 74 -8.899 -0.422 5.122 1.00 0.33 C ATOM 1158 O LEU A 74 -7.883 0.271 5.127 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.435 -2.301 6.708 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.402 -1.844 7.796 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.970 -3.055 8.505 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.706 -0.931 8.792 1.00 0.42 C ATOM 0 H LEU A 74 -7.001 -2.823 4.760 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.812 -2.340 5.055 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.332 -3.384 6.772 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.454 -1.874 6.917 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.212 -1.280 7.332 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.661 -2.730 9.283 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.500 -3.682 7.787 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.159 -3.626 8.956 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.416 -0.619 9.557 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.880 -1.466 9.260 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.322 -0.052 8.274 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.117 0.065 4.969 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.392 1.495 4.945 1.00 0.26 C ATOM 1176 C ALA A 75 -10.436 2.049 6.358 1.00 0.31 C ATOM 1177 O ALA A 75 -9.916 1.445 7.287 1.00 0.60 O ATOM 1178 CB ALA A 75 -11.705 1.758 4.219 1.00 0.29 C ATOM 0 H ALA A 75 -10.946 -0.518 4.858 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.590 2.002 4.408 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -11.905 2.829 4.205 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.636 1.388 3.196 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.516 1.245 4.736 1.00 0.29 H new ATOM 1184 N LYS A 76 -11.099 3.172 6.528 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.008 3.927 7.756 1.00 0.30 C ATOM 1186 C LYS A 76 -12.008 3.408 8.772 1.00 0.33 C ATOM 1187 O LYS A 76 -11.817 3.519 9.976 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.313 5.379 7.447 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.139 6.296 8.627 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.676 7.684 8.324 1.00 0.47 C ATOM 1191 CE LYS A 76 -13.175 7.649 8.025 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.983 7.381 9.247 1.00 1.23 N ATOM 0 H LYS A 76 -11.712 3.584 5.824 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.006 3.826 8.173 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.663 5.714 6.639 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.338 5.457 7.085 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.657 5.883 9.492 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.083 6.360 8.889 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.488 8.342 9.173 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -11.143 8.104 7.471 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -13.480 8.601 7.591 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.378 6.879 7.280 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.995 7.433 9.012 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -13.760 6.432 9.610 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -13.759 8.091 9.974 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.059 2.815 8.248 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.243 2.470 9.021 1.00 0.62 C ATOM 1208 C HIS A 77 -14.405 0.961 9.102 1.00 0.69 C ATOM 1209 O HIS A 77 -15.517 0.444 9.159 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.498 3.147 8.424 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.497 3.308 6.924 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.521 2.875 6.116 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -14.601 3.898 6.092 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -16.253 3.189 4.860 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.094 3.809 4.821 1.00 0.69 N ATOM 0 H HIS A 77 -13.121 2.554 7.264 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.120 2.844 10.037 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.374 2.564 8.709 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.609 4.132 8.878 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -13.667 4.355 6.383 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.881 2.972 4.008 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -14.638 4.165 3.981 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.274 0.265 9.107 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.283 -1.193 9.120 1.00 0.72 C ATOM 1226 C GLY A 78 -13.774 -1.772 7.812 1.00 0.76 C ATOM 1227 O GLY A 78 -14.139 -2.945 7.729 1.00 1.31 O ATOM 0 H GLY A 78 -12.344 0.684 9.102 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -12.277 -1.559 9.323 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.919 -1.544 9.932 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.793 -0.932 6.790 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.230 -1.357 5.484 1.00 0.37 C ATOM 1233 C GLY A 79 -13.107 -2.002 4.723 1.00 0.28 C ATOM 1234 O GLY A 79 -11.966 -1.993 5.179 1.00 0.29 O ATOM 0 H GLY A 79 -13.510 0.046 6.846 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.057 -2.060 5.584 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.607 -0.500 4.926 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.407 -2.537 3.563 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.403 -3.235 2.789 1.00 0.21 C ATOM 1240 C TYR A 80 -12.514 -2.882 1.326 1.00 0.22 C ATOM 1241 O TYR A 80 -13.580 -2.983 0.729 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.512 -4.742 2.986 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.070 -5.187 4.358 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.726 -5.257 4.691 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.004 -5.549 5.320 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.321 -5.673 5.942 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.611 -5.968 6.574 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.248 -5.985 6.888 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.862 -6.448 8.123 1.00 0.38 O ATOM 0 H TYR A 80 -14.332 -2.504 3.135 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.423 -2.916 3.146 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.545 -5.051 2.824 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.907 -5.247 2.233 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -9.983 -4.981 3.958 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.056 -5.502 5.082 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.268 -5.751 6.171 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.345 -6.278 7.303 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.656 -6.619 8.671 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.413 -2.447 0.764 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.362 -2.084 -0.636 1.00 0.28 C ATOM 1261 C VAL A 81 -10.391 -2.988 -1.379 1.00 0.26 C ATOM 1262 O VAL A 81 -9.390 -3.428 -0.813 1.00 0.26 O ATOM 1263 CB VAL A 81 -10.966 -0.602 -0.813 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.197 0.289 -0.737 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -9.955 -0.185 0.250 1.00 0.30 C ATOM 0 H VAL A 81 -10.529 -2.334 1.260 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.358 -2.217 -1.058 1.00 0.28 H new ATOM 0 HB VAL A 81 -10.507 -0.487 -1.795 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -11.901 1.330 -0.864 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -12.896 0.012 -1.526 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -12.677 0.164 0.233 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -9.689 0.862 0.108 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.392 -0.317 1.240 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.060 -0.802 0.163 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.708 -3.305 -2.625 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.835 -4.138 -3.435 1.00 0.29 C ATOM 1277 C TRP A 82 -8.925 -3.284 -4.296 1.00 0.28 C ATOM 1278 O TRP A 82 -9.384 -2.525 -5.155 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.644 -5.098 -4.302 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.230 -6.236 -3.529 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.403 -6.240 -2.833 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.664 -7.541 -3.374 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.606 -7.471 -2.256 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.551 -8.288 -2.576 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.496 -8.153 -3.839 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.302 -9.611 -2.226 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.251 -9.468 -3.488 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.152 -10.185 -2.694 1.00 0.52 C ATOM 0 H TRP A 82 -11.560 -2.999 -3.095 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.216 -4.729 -2.760 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.447 -4.547 -4.791 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.003 -5.494 -5.090 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.075 -5.398 -2.748 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.409 -7.734 -1.684 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -8.799 -7.610 -4.460 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -11.992 -10.165 -1.607 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.348 -9.950 -3.833 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -9.935 -11.213 -2.445 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.632 -3.407 -4.053 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.653 -2.567 -4.732 1.00 0.28 C ATOM 1301 C LEU A 83 -5.534 -3.380 -5.349 1.00 0.29 C ATOM 1302 O LEU A 83 -5.315 -4.523 -4.985 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.034 -1.552 -3.761 1.00 0.28 C ATOM 1304 CG LEU A 83 -6.985 -0.601 -3.038 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.501 -1.241 -1.768 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.274 0.703 -2.715 1.00 0.40 C ATOM 0 H LEU A 83 -7.234 -4.076 -3.394 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.193 -2.049 -5.525 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.474 -2.105 -3.007 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.314 -0.951 -4.316 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.831 -0.389 -3.691 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.178 -0.552 -1.262 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.035 -2.159 -2.014 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -6.663 -1.474 -1.111 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -6.961 1.374 -2.200 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.416 0.500 -2.074 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.935 1.171 -3.639 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.819 -2.765 -6.276 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.671 -3.390 -6.903 1.00 0.34 C ATOM 1320 C GLU A 84 -2.414 -2.571 -6.621 1.00 0.35 C ATOM 1321 O GLU A 84 -2.462 -1.340 -6.629 1.00 0.39 O ATOM 1322 CB GLU A 84 -3.901 -3.505 -8.408 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.797 -4.926 -8.923 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.101 -5.044 -10.401 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.333 -4.500 -11.220 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.128 -5.656 -10.751 1.00 0.88 O ATOM 0 H GLU A 84 -5.018 -1.823 -6.613 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.538 -4.390 -6.490 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -4.888 -3.110 -8.649 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.173 -2.883 -8.928 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.792 -5.302 -8.733 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.485 -5.560 -8.364 1.00 0.59 H new ATOM 1333 N THR A 85 -1.303 -3.248 -6.360 1.00 0.36 N ATOM 1334 CA THR A 85 -0.044 -2.570 -6.078 1.00 0.37 C ATOM 1335 C THR A 85 0.936 -2.722 -7.217 1.00 0.32 C ATOM 1336 O THR A 85 1.336 -3.831 -7.584 1.00 0.43 O ATOM 1337 CB THR A 85 0.635 -3.080 -4.783 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.116 -2.686 -3.635 1.00 0.68 O ATOM 1339 CG2 THR A 85 2.056 -2.545 -4.652 1.00 0.60 C ATOM 0 H THR A 85 -1.248 -4.266 -6.338 1.00 0.36 H new ATOM 0 HA THR A 85 -0.306 -1.520 -5.947 1.00 0.37 H new ATOM 0 HB THR A 85 0.672 -4.168 -4.844 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.074 -2.746 -3.834 1.00 0.68 H new ATOM 0 HG21 THR A 85 2.503 -2.922 -3.732 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.649 -2.874 -5.506 1.00 0.60 H new ATOM 0 HG23 THR A 85 2.034 -1.456 -4.624 1.00 0.60 H new ATOM 1347 N GLN A 86 1.298 -1.593 -7.776 1.00 0.29 N ATOM 1348 CA GLN A 86 2.457 -1.512 -8.623 1.00 0.35 C ATOM 1349 C GLN A 86 3.630 -1.077 -7.757 1.00 0.28 C ATOM 1350 O GLN A 86 3.754 0.098 -7.403 1.00 0.30 O ATOM 1351 CB GLN A 86 2.230 -0.530 -9.765 1.00 0.50 C ATOM 1352 CG GLN A 86 3.494 -0.246 -10.543 1.00 0.70 C ATOM 1353 CD GLN A 86 3.302 0.803 -11.615 1.00 1.06 C ATOM 1354 OE1 GLN A 86 2.223 0.932 -12.192 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.351 1.563 -11.881 1.00 1.15 N ATOM 0 H GLN A 86 0.800 -0.711 -7.656 1.00 0.29 H new ATOM 0 HA GLN A 86 2.661 -2.482 -9.076 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.474 -0.931 -10.440 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.836 0.404 -9.364 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.272 0.084 -9.854 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.846 -1.169 -11.004 1.00 0.70 H new ATOM 0 HE21 GLN A 86 5.226 1.419 -11.377 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.285 2.293 -12.590 1.00 1.15 H new ATOM 1364 N GLY A 87 4.459 -2.033 -7.383 1.00 0.27 N ATOM 1365 CA GLY A 87 5.474 -1.773 -6.393 1.00 0.26 C ATOM 1366 C GLY A 87 6.868 -1.720 -6.968 1.00 0.24 C ATOM 1367 O GLY A 87 7.146 -2.277 -8.029 1.00 0.27 O ATOM 0 H GLY A 87 4.447 -2.985 -7.748 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.256 -0.826 -5.899 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.433 -2.549 -5.628 1.00 0.26 H new ATOM 1371 N THR A 88 7.736 -1.036 -6.254 1.00 0.23 N ATOM 1372 CA THR A 88 9.125 -0.855 -6.655 1.00 0.22 C ATOM 1373 C THR A 88 10.005 -0.645 -5.426 1.00 0.25 C ATOM 1374 O THR A 88 9.589 0.001 -4.470 1.00 0.36 O ATOM 1375 CB THR A 88 9.272 0.356 -7.604 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.376 0.222 -8.717 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.698 0.491 -8.121 1.00 0.24 C ATOM 0 H THR A 88 7.501 -0.584 -5.370 1.00 0.23 H new ATOM 0 HA THR A 88 9.443 -1.755 -7.182 1.00 0.22 H new ATOM 0 HB THR A 88 9.025 1.252 -7.034 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.475 0.995 -9.312 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.764 1.353 -8.785 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.378 0.628 -7.280 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.974 -0.411 -8.668 1.00 0.24 H new ATOM 1385 N VAL A 89 11.199 -1.211 -5.434 1.00 0.28 N ATOM 1386 CA VAL A 89 12.155 -0.939 -4.372 1.00 0.31 C ATOM 1387 C VAL A 89 13.125 0.150 -4.794 1.00 0.30 C ATOM 1388 O VAL A 89 13.815 0.021 -5.808 1.00 0.34 O ATOM 1389 CB VAL A 89 12.981 -2.180 -3.978 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.902 -1.855 -2.815 1.00 0.36 C ATOM 1391 CG2 VAL A 89 12.090 -3.345 -3.619 1.00 0.56 C ATOM 0 H VAL A 89 11.528 -1.854 -6.154 1.00 0.28 H new ATOM 0 HA VAL A 89 11.564 -0.625 -3.512 1.00 0.31 H new ATOM 0 HB VAL A 89 13.581 -2.466 -4.842 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.478 -2.741 -2.549 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.582 -1.053 -3.102 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.308 -1.538 -1.958 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.705 -4.203 -3.346 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.455 -3.071 -2.776 1.00 0.56 H new ATOM 0 HG23 VAL A 89 11.466 -3.603 -4.475 1.00 0.56 H new ATOM 1401 N ILE A 90 13.160 1.230 -4.038 1.00 0.27 N ATOM 1402 CA ILE A 90 14.219 2.193 -4.185 1.00 0.30 C ATOM 1403 C ILE A 90 15.312 1.806 -3.195 1.00 0.34 C ATOM 1404 O ILE A 90 15.118 1.813 -1.978 1.00 0.41 O ATOM 1405 CB ILE A 90 13.707 3.659 -4.017 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.367 4.565 -5.046 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.962 4.222 -2.628 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.675 5.900 -5.212 1.00 0.78 C ATOM 0 H ILE A 90 12.470 1.457 -3.322 1.00 0.27 H new ATOM 0 HA ILE A 90 14.627 2.175 -5.196 1.00 0.30 H new ATOM 0 HB ILE A 90 12.628 3.627 -4.168 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.403 4.736 -4.755 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.387 4.054 -6.008 1.00 0.71 H new ATOM 0 HG21 ILE A 90 13.584 5.243 -2.574 1.00 0.73 H new ATOM 0 HG22 ILE A 90 13.452 3.607 -1.887 1.00 0.73 H new ATOM 0 HG23 ILE A 90 15.033 4.221 -2.426 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.201 6.492 -5.961 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.646 5.739 -5.534 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.679 6.432 -4.261 1.00 0.78 H new ATOM 1420 N TYR A 91 16.406 1.303 -3.724 1.00 0.36 N ATOM 1421 CA TYR A 91 17.484 0.823 -2.881 1.00 0.42 C ATOM 1422 C TYR A 91 18.406 1.940 -2.426 1.00 0.48 C ATOM 1423 O TYR A 91 18.527 2.980 -3.070 1.00 0.58 O ATOM 1424 CB TYR A 91 18.321 -0.222 -3.585 1.00 0.51 C ATOM 1425 CG TYR A 91 17.585 -1.464 -4.031 1.00 0.43 C ATOM 1426 CD1 TYR A 91 17.439 -2.549 -3.177 1.00 0.55 C ATOM 1427 CD2 TYR A 91 17.071 -1.566 -5.316 1.00 0.45 C ATOM 1428 CE1 TYR A 91 16.802 -3.701 -3.590 1.00 0.76 C ATOM 1429 CE2 TYR A 91 16.426 -2.711 -5.735 1.00 0.61 C ATOM 1430 CZ TYR A 91 16.296 -3.776 -4.871 1.00 0.79 C ATOM 1431 OH TYR A 91 15.670 -4.922 -5.289 1.00 1.06 O ATOM 0 H TYR A 91 16.574 1.215 -4.726 1.00 0.36 H new ATOM 0 HA TYR A 91 16.997 0.385 -2.010 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.782 0.238 -4.459 1.00 0.51 H new ATOM 0 HB3 TYR A 91 19.130 -0.522 -2.919 1.00 0.51 H new ATOM 0 HD1 TYR A 91 17.831 -2.490 -2.172 1.00 0.55 H new ATOM 0 HD2 TYR A 91 17.178 -0.736 -5.999 1.00 0.45 H new ATOM 0 HE1 TYR A 91 16.700 -4.538 -2.915 1.00 0.76 H new ATOM 0 HE2 TYR A 91 16.025 -2.772 -6.736 1.00 0.61 H new ATOM 0 HH TYR A 91 15.457 -5.480 -4.512 1.00 1.06 H new ATOM 1441 N ASN A 92 19.056 1.689 -1.303 1.00 0.57 N ATOM 1442 CA ASN A 92 20.019 2.612 -0.724 1.00 0.71 C ATOM 1443 C ASN A 92 21.282 2.680 -1.568 1.00 0.69 C ATOM 1444 O ASN A 92 21.817 1.662 -1.935 1.00 0.63 O ATOM 1445 CB ASN A 92 20.394 2.123 0.662 1.00 0.83 C ATOM 1446 CG ASN A 92 21.086 3.196 1.470 1.00 1.09 C ATOM 1447 OD1 ASN A 92 22.310 3.243 1.532 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.307 4.086 2.047 1.00 1.50 N ATOM 0 H ASN A 92 18.930 0.833 -0.763 1.00 0.57 H new ATOM 0 HA ASN A 92 19.568 3.603 -0.681 1.00 0.71 H new ATOM 0 HB2 ASN A 92 19.496 1.796 1.187 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.048 1.255 0.576 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.717 4.857 2.574 1.00 1.50 H new ATOM 0 HD22 ASN A 92 19.293 4.005 1.967 1.00 1.50 H new ATOM 1455 N PRO A 93 21.809 3.860 -1.865 1.00 0.84 N ATOM 1456 CA PRO A 93 23.025 3.960 -2.670 1.00 0.91 C ATOM 1457 C PRO A 93 24.264 3.425 -1.959 1.00 0.96 C ATOM 1458 O PRO A 93 25.200 2.944 -2.601 1.00 1.00 O ATOM 1459 CB PRO A 93 23.156 5.449 -2.934 1.00 1.13 C ATOM 1460 CG PRO A 93 22.386 6.116 -1.843 1.00 1.23 C ATOM 1461 CD PRO A 93 21.270 5.176 -1.486 1.00 1.00 C ATOM 0 HA PRO A 93 22.953 3.357 -3.575 1.00 0.91 H new ATOM 0 HB2 PRO A 93 24.201 5.759 -2.923 1.00 1.13 H new ATOM 0 HB3 PRO A 93 22.756 5.711 -3.914 1.00 1.13 H new ATOM 0 HG2 PRO A 93 23.022 6.311 -0.980 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.994 7.078 -2.174 1.00 1.23 H new ATOM 0 HD2 PRO A 93 21.028 5.222 -0.424 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.356 5.410 -2.032 1.00 1.00 H new ATOM 1469 N ARG A 94 24.251 3.483 -0.636 1.00 1.03 N ATOM 1470 CA ARG A 94 25.398 3.071 0.160 1.00 1.13 C ATOM 1471 C ARG A 94 25.346 1.575 0.435 1.00 1.04 C ATOM 1472 O ARG A 94 26.330 0.862 0.256 1.00 1.16 O ATOM 1473 CB ARG A 94 25.413 3.837 1.488 1.00 1.37 C ATOM 1474 CG ARG A 94 25.396 5.346 1.327 1.00 1.93 C ATOM 1475 CD ARG A 94 26.678 5.852 0.691 1.00 2.43 C ATOM 1476 NE ARG A 94 27.830 5.655 1.567 1.00 3.09 N ATOM 1477 CZ ARG A 94 29.087 5.566 1.142 1.00 3.87 C ATOM 1478 NH1 ARG A 94 29.355 5.550 -0.157 1.00 4.14 N ATOM 1479 NH2 ARG A 94 30.075 5.471 2.019 1.00 4.77 N ATOM 0 H ARG A 94 23.456 3.813 -0.089 1.00 1.03 H new ATOM 0 HA ARG A 94 26.306 3.295 -0.399 1.00 1.13 H new ATOM 0 HB2 ARG A 94 24.549 3.535 2.080 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.302 3.551 2.051 1.00 1.37 H new ATOM 0 HG2 ARG A 94 24.544 5.638 0.713 1.00 1.93 H new ATOM 0 HG3 ARG A 94 25.262 5.815 2.302 1.00 1.93 H new ATOM 0 HD2 ARG A 94 26.846 5.333 -0.253 1.00 2.43 H new ATOM 0 HD3 ARG A 94 26.575 6.912 0.458 1.00 2.43 H new ATOM 0 HE ARG A 94 27.659 5.581 2.570 1.00 3.09 H new ATOM 0 HH11 ARG A 94 28.595 5.606 -0.835 1.00 4.14 H new ATOM 0 HH12 ARG A 94 30.321 5.482 -0.478 1.00 4.14 H new ATOM 0 HH21 ARG A 94 29.871 5.466 3.018 1.00 4.77 H new ATOM 0 HH22 ARG A 94 31.040 5.403 1.695 1.00 4.77 H new ATOM 1493 N ASN A 95 24.176 1.109 0.842 1.00 0.99 N ATOM 1494 CA ASN A 95 24.016 -0.277 1.301 1.00 1.00 C ATOM 1495 C ASN A 95 23.229 -1.113 0.307 1.00 0.85 C ATOM 1496 O ASN A 95 23.312 -2.341 0.309 1.00 0.92 O ATOM 1497 CB ASN A 95 23.296 -0.320 2.652 1.00 1.15 C ATOM 1498 CG ASN A 95 24.150 0.152 3.814 1.00 1.58 C ATOM 1499 OD1 ASN A 95 25.021 1.005 3.661 1.00 2.23 O ATOM 1500 ND2 ASN A 95 23.908 -0.414 4.985 1.00 1.99 N ATOM 0 H ASN A 95 23.320 1.663 0.867 1.00 0.99 H new ATOM 0 HA ASN A 95 25.019 -0.693 1.398 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.400 0.299 2.596 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.967 -1.341 2.846 1.00 1.15 H new ATOM 0 HD21 ASN A 95 24.454 -0.146 5.804 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.175 -1.119 5.069 1.00 1.99 H new ATOM 1507 N LEU A 96 22.482 -0.430 -0.546 1.00 0.72 N ATOM 1508 CA LEU A 96 21.505 -1.058 -1.438 1.00 0.63 C ATOM 1509 C LEU A 96 20.578 -2.022 -0.713 1.00 0.64 C ATOM 1510 O LEU A 96 20.062 -2.974 -1.296 1.00 0.67 O ATOM 1511 CB LEU A 96 22.191 -1.738 -2.610 1.00 0.74 C ATOM 1512 CG LEU A 96 22.795 -0.767 -3.626 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.620 -1.500 -4.663 1.00 1.22 C ATOM 1514 CD2 LEU A 96 21.696 0.046 -4.296 1.00 1.76 C ATOM 0 H LEU A 96 22.533 0.584 -0.644 1.00 0.72 H new ATOM 0 HA LEU A 96 20.878 -0.255 -1.825 1.00 0.63 H new ATOM 0 HB2 LEU A 96 22.980 -2.387 -2.229 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.470 -2.378 -3.119 1.00 0.74 H new ATOM 0 HG LEU A 96 23.459 -0.088 -3.091 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.036 -0.783 -5.371 1.00 1.22 H new ATOM 0 HD12 LEU A 96 24.431 -2.036 -4.170 1.00 1.22 H new ATOM 0 HD13 LEU A 96 22.987 -2.210 -5.196 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.140 0.733 -5.017 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.009 -0.626 -4.810 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.152 0.614 -3.541 1.00 1.76 H new ATOM 1526 N GLN A 97 20.359 -1.755 0.559 1.00 0.71 N ATOM 1527 CA GLN A 97 19.301 -2.405 1.301 1.00 0.76 C ATOM 1528 C GLN A 97 17.991 -1.744 0.904 1.00 0.64 C ATOM 1529 O GLN A 97 18.019 -0.638 0.352 1.00 0.61 O ATOM 1530 CB GLN A 97 19.546 -2.266 2.808 1.00 0.94 C ATOM 1531 CG GLN A 97 19.823 -0.836 3.249 1.00 1.21 C ATOM 1532 CD GLN A 97 18.817 -0.319 4.255 1.00 2.02 C ATOM 1533 OE1 GLN A 97 18.997 -0.461 5.463 1.00 2.29 O ATOM 1534 NE2 GLN A 97 17.758 0.301 3.764 1.00 2.81 N ATOM 0 H GLN A 97 20.905 -1.087 1.103 1.00 0.71 H new ATOM 0 HA GLN A 97 19.269 -3.470 1.073 1.00 0.76 H new ATOM 0 HB2 GLN A 97 18.675 -2.641 3.346 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.390 -2.895 3.090 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.822 -0.783 3.683 1.00 1.21 H new ATOM 0 HG3 GLN A 97 19.820 -0.185 2.374 1.00 1.21 H new ATOM 0 HE21 GLN A 97 17.646 0.398 2.755 1.00 2.81 H new ATOM 0 HE22 GLN A 97 17.053 0.683 4.394 1.00 2.81 H new ATOM 1543 N PRO A 98 16.837 -2.388 1.144 1.00 0.62 N ATOM 1544 CA PRO A 98 15.538 -1.787 0.852 1.00 0.55 C ATOM 1545 C PRO A 98 15.394 -0.430 1.527 1.00 0.55 C ATOM 1546 O PRO A 98 15.060 -0.336 2.708 1.00 0.62 O ATOM 1547 CB PRO A 98 14.516 -2.789 1.407 1.00 0.60 C ATOM 1548 CG PRO A 98 15.299 -3.743 2.248 1.00 0.62 C ATOM 1549 CD PRO A 98 16.700 -3.742 1.697 1.00 0.72 C ATOM 0 HA PRO A 98 15.401 -1.604 -0.214 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.752 -2.283 1.997 1.00 0.60 H new ATOM 0 HB3 PRO A 98 14.001 -3.310 0.600 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.292 -3.435 3.294 1.00 0.62 H new ATOM 0 HG3 PRO A 98 14.866 -4.743 2.207 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.439 -3.937 2.474 1.00 0.72 H new ATOM 0 HD3 PRO A 98 16.833 -4.506 0.931 1.00 0.72 H new ATOM 1557 N GLN A 99 15.680 0.617 0.769 1.00 0.51 N ATOM 1558 CA GLN A 99 15.664 1.966 1.291 1.00 0.54 C ATOM 1559 C GLN A 99 14.234 2.442 1.392 1.00 0.50 C ATOM 1560 O GLN A 99 13.807 2.951 2.429 1.00 0.57 O ATOM 1561 CB GLN A 99 16.487 2.892 0.390 1.00 0.56 C ATOM 1562 CG GLN A 99 16.027 4.338 0.407 1.00 0.72 C ATOM 1563 CD GLN A 99 16.346 5.049 1.709 1.00 0.97 C ATOM 1564 OE1 GLN A 99 17.356 4.770 2.359 1.00 1.73 O ATOM 1565 NE2 GLN A 99 15.474 5.961 2.103 1.00 1.32 N ATOM 0 H GLN A 99 15.928 0.552 -0.218 1.00 0.51 H new ATOM 0 HA GLN A 99 16.113 1.981 2.284 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.531 2.850 0.700 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.443 2.519 -0.633 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.499 4.873 -0.417 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.951 4.373 0.235 1.00 0.72 H new ATOM 0 HE21 GLN A 99 14.652 6.160 1.533 1.00 1.32 H new ATOM 0 HE22 GLN A 99 15.624 6.466 2.977 1.00 1.32 H new ATOM 1574 N CYS A 100 13.480 2.235 0.330 1.00 0.43 N ATOM 1575 CA CYS A 100 12.101 2.688 0.293 1.00 0.41 C ATOM 1576 C CYS A 100 11.289 1.855 -0.683 1.00 0.35 C ATOM 1577 O CYS A 100 11.826 1.281 -1.626 1.00 0.39 O ATOM 1578 CB CYS A 100 12.020 4.171 -0.087 1.00 0.45 C ATOM 1579 SG CYS A 100 12.484 5.316 1.233 1.00 0.64 S ATOM 0 H CYS A 100 13.796 1.759 -0.515 1.00 0.43 H new ATOM 0 HA CYS A 100 11.683 2.565 1.292 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.667 4.348 -0.946 1.00 0.45 H new ATOM 0 HB3 CYS A 100 11.001 4.396 -0.403 1.00 0.45 H new ATOM 0 HG CYS A 100 13.174 4.682 2.134 1.00 0.64 H new ATOM 1585 N ILE A 101 10.000 1.769 -0.427 1.00 0.29 N ATOM 1586 CA ILE A 101 9.088 1.074 -1.312 1.00 0.27 C ATOM 1587 C ILE A 101 8.185 2.083 -2.011 1.00 0.23 C ATOM 1588 O ILE A 101 7.534 2.895 -1.360 1.00 0.28 O ATOM 1589 CB ILE A 101 8.208 0.046 -0.556 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.045 -1.100 0.034 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.140 -0.518 -1.478 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.814 -0.738 1.288 1.00 0.73 C ATOM 0 H ILE A 101 9.557 2.177 0.396 1.00 0.29 H new ATOM 0 HA ILE A 101 9.691 0.530 -2.039 1.00 0.27 H new ATOM 0 HB ILE A 101 7.732 0.574 0.270 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.384 -1.937 0.258 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.750 -1.444 -0.722 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.531 -1.238 -0.932 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.507 0.292 -1.840 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.615 -1.013 -2.325 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.375 -1.606 1.634 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.504 0.077 1.069 1.00 0.73 H new ATOM 0 HD13 ILE A 101 9.117 -0.424 2.065 1.00 0.73 H new ATOM 1604 N MET A 102 8.141 2.020 -3.324 1.00 0.22 N ATOM 1605 CA MET A 102 7.297 2.899 -4.116 1.00 0.23 C ATOM 1606 C MET A 102 6.012 2.161 -4.437 1.00 0.22 C ATOM 1607 O MET A 102 6.029 1.208 -5.217 1.00 0.24 O ATOM 1608 CB MET A 102 7.989 3.282 -5.434 1.00 0.30 C ATOM 1609 CG MET A 102 9.034 4.375 -5.338 1.00 0.69 C ATOM 1610 SD MET A 102 10.383 3.996 -4.208 1.00 1.47 S ATOM 1611 CE MET A 102 9.844 4.897 -2.761 1.00 1.81 C ATOM 0 H MET A 102 8.688 1.359 -3.876 1.00 0.22 H new ATOM 0 HA MET A 102 7.099 3.809 -3.550 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.460 2.390 -5.847 1.00 0.30 H new ATOM 0 HB3 MET A 102 7.225 3.597 -6.145 1.00 0.30 H new ATOM 0 HG2 MET A 102 9.445 4.559 -6.330 1.00 0.69 H new ATOM 0 HG3 MET A 102 8.552 5.298 -5.016 1.00 0.69 H new ATOM 0 HE1 MET A 102 10.609 5.619 -2.476 1.00 1.81 H new ATOM 0 HE2 MET A 102 8.915 5.421 -2.984 1.00 1.81 H new ATOM 0 HE3 MET A 102 9.679 4.200 -1.939 1.00 1.81 H new ATOM 1621 N CYS A 103 4.908 2.549 -3.820 1.00 0.25 N ATOM 1622 CA CYS A 103 3.654 1.854 -4.064 1.00 0.26 C ATOM 1623 C CYS A 103 2.673 2.698 -4.866 1.00 0.27 C ATOM 1624 O CYS A 103 2.182 3.724 -4.390 1.00 0.32 O ATOM 1625 CB CYS A 103 3.012 1.431 -2.744 1.00 0.31 C ATOM 1626 SG CYS A 103 3.896 0.112 -1.880 1.00 0.39 S ATOM 0 H CYS A 103 4.853 3.325 -3.160 1.00 0.25 H new ATOM 0 HA CYS A 103 3.891 0.970 -4.655 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.948 2.300 -2.089 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.991 1.102 -2.938 1.00 0.31 H new ATOM 0 HG CYS A 103 3.040 -0.719 -1.365 1.00 0.39 H new ATOM 1632 N VAL A 104 2.397 2.264 -6.086 1.00 0.27 N ATOM 1633 CA VAL A 104 1.333 2.852 -6.882 1.00 0.28 C ATOM 1634 C VAL A 104 0.061 2.031 -6.677 1.00 0.29 C ATOM 1635 O VAL A 104 0.018 0.850 -7.020 1.00 0.29 O ATOM 1636 CB VAL A 104 1.700 2.901 -8.386 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.621 3.615 -9.183 1.00 0.35 C ATOM 1638 CG2 VAL A 104 3.048 3.577 -8.589 1.00 0.34 C ATOM 0 H VAL A 104 2.897 1.504 -6.547 1.00 0.27 H new ATOM 0 HA VAL A 104 1.179 3.880 -6.556 1.00 0.28 H new ATOM 0 HB VAL A 104 1.771 1.876 -8.750 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.901 3.637 -10.236 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.325 3.086 -9.070 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.512 4.635 -8.815 1.00 0.35 H new ATOM 0 HG21 VAL A 104 3.287 3.601 -9.652 1.00 0.34 H new ATOM 0 HG22 VAL A 104 3.006 4.596 -8.204 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.819 3.019 -8.057 1.00 0.34 H new ATOM 1648 N ASN A 105 -0.960 2.655 -6.105 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.157 1.927 -5.686 1.00 0.30 C ATOM 1650 C ASN A 105 -3.303 2.137 -6.656 1.00 0.27 C ATOM 1651 O ASN A 105 -3.571 3.265 -7.077 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.602 2.362 -4.289 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.510 2.217 -3.251 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -1.352 1.167 -2.629 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.755 3.284 -3.052 1.00 0.63 N ATOM 0 H ASN A 105 -0.987 3.658 -5.920 1.00 0.29 H new ATOM 0 HA ASN A 105 -1.895 0.869 -5.671 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.927 3.402 -4.324 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.465 1.768 -3.987 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.006 3.257 -2.360 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.921 4.134 -3.591 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.000 1.048 -6.964 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.111 1.071 -7.903 1.00 0.24 C ATOM 1664 C TYR A 106 -6.382 0.576 -7.226 1.00 0.25 C ATOM 1665 O TYR A 106 -6.600 -0.627 -7.090 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.807 0.202 -9.128 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.613 0.668 -9.927 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -2.339 0.207 -9.632 1.00 0.31 C ATOM 1669 CD2 TYR A 106 -3.761 1.563 -10.977 1.00 0.35 C ATOM 1670 CE1 TYR A 106 -1.244 0.624 -10.362 1.00 0.35 C ATOM 1671 CE2 TYR A 106 -2.672 1.987 -11.712 1.00 0.40 C ATOM 1672 CZ TYR A 106 -1.416 1.537 -11.391 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.323 1.921 -12.139 1.00 0.48 O ATOM 0 H TYR A 106 -3.809 0.127 -6.569 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.255 2.100 -8.232 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.635 -0.823 -8.800 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.683 0.187 -9.777 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -2.201 -0.489 -8.818 1.00 0.31 H new ATOM 0 HD2 TYR A 106 -4.745 1.934 -11.223 1.00 0.35 H new ATOM 0 HE1 TYR A 106 -0.260 0.242 -10.133 1.00 0.35 H new ATOM 0 HE2 TYR A 106 -2.808 2.671 -12.537 1.00 0.40 H new ATOM 0 HH TYR A 106 0.448 1.365 -11.901 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.192 1.515 -6.774 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.467 1.198 -6.149 1.00 0.28 C ATOM 1685 C VAL A 107 -9.455 0.732 -7.212 1.00 0.33 C ATOM 1686 O VAL A 107 -9.986 1.539 -7.984 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.062 2.400 -5.392 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.291 1.983 -4.598 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.025 3.029 -4.481 1.00 0.62 C ATOM 0 H VAL A 107 -6.989 2.513 -6.828 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.286 0.406 -5.422 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.367 3.145 -6.127 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -10.695 2.848 -4.071 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.046 1.587 -5.277 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.014 1.215 -3.876 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.467 3.876 -3.956 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -7.683 2.291 -3.755 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.179 3.372 -5.076 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.682 -0.566 -7.254 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.496 -1.174 -8.291 1.00 0.39 C ATOM 1701 C LEU A 108 -11.937 -1.335 -7.827 1.00 0.44 C ATOM 1702 O LEU A 108 -12.801 -0.515 -8.151 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.897 -2.529 -8.661 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.460 -2.466 -9.179 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.659 -3.656 -8.684 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.448 -2.422 -10.697 1.00 0.48 C ATOM 0 H LEU A 108 -9.309 -1.228 -6.573 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.503 -0.526 -9.167 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -9.926 -3.176 -7.785 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.524 -2.994 -9.422 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.998 -1.556 -8.797 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.639 -3.592 -9.064 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.641 -3.654 -7.594 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.121 -4.578 -9.038 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.418 -2.377 -11.052 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.929 -3.317 -11.091 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.988 -1.540 -11.040 1.00 0.48 H new ATOM 1718 N SER A 109 -12.181 -2.379 -7.048 1.00 0.44 N ATOM 1719 CA SER A 109 -13.510 -2.657 -6.533 1.00 0.54 C ATOM 1720 C SER A 109 -13.820 -1.748 -5.352 1.00 0.64 C ATOM 1721 O SER A 109 -12.918 -1.326 -4.625 1.00 0.93 O ATOM 1722 CB SER A 109 -13.608 -4.126 -6.120 1.00 0.64 C ATOM 1723 OG SER A 109 -13.257 -4.980 -7.197 1.00 1.46 O ATOM 0 H SER A 109 -11.470 -3.050 -6.758 1.00 0.44 H new ATOM 0 HA SER A 109 -14.243 -2.462 -7.316 1.00 0.54 H new ATOM 0 HB2 SER A 109 -12.949 -4.314 -5.272 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.623 -4.348 -5.791 1.00 0.64 H new ATOM 0 HG SER A 109 -13.325 -5.914 -6.909 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.097 -1.446 -5.162 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.508 -0.525 -4.118 1.00 0.74 C ATOM 1731 C GLU A 110 -15.627 -1.231 -2.773 1.00 0.59 C ATOM 1732 O GLU A 110 -15.337 -2.423 -2.656 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.821 0.157 -4.502 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.955 -0.802 -4.827 1.00 1.46 C ATOM 1735 CD GLU A 110 -19.101 -0.106 -5.528 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -19.970 0.456 -4.828 1.00 2.94 O ATOM 1737 OE2 GLU A 110 -19.154 -0.136 -6.775 1.00 2.41 O ATOM 0 H GLU A 110 -15.863 -1.826 -5.718 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.739 0.241 -4.015 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.133 0.805 -3.683 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -16.644 0.798 -5.366 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.579 -1.607 -5.458 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -18.317 -1.260 -3.907 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.066 -0.483 -1.774 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.061 -0.939 -0.389 1.00 0.59 C ATOM 1746 C ILE A 111 -16.854 -2.218 -0.193 1.00 0.58 C ATOM 1747 O ILE A 111 -18.058 -2.283 -0.436 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.602 0.155 0.552 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -15.886 1.482 0.279 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.415 -0.259 2.006 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.404 2.641 1.101 1.00 0.89 C ATOM 0 H ILE A 111 -16.437 0.459 -1.898 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.021 -1.152 -0.140 1.00 0.59 H new ATOM 0 HB ILE A 111 -17.668 0.286 0.364 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -14.822 1.356 0.477 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -15.986 1.726 -0.778 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -16.802 0.523 2.660 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -16.955 -1.187 2.192 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.354 -0.409 2.208 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -15.846 3.543 0.850 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -17.461 2.796 0.886 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.278 2.420 2.161 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.134 -3.232 0.240 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.696 -4.515 0.581 1.00 0.61 C ATOM 1765 C GLU A 112 -16.867 -4.611 2.094 1.00 0.64 C ATOM 1766 O GLU A 112 -15.883 -4.719 2.830 1.00 0.73 O ATOM 1767 CB GLU A 112 -15.760 -5.621 0.103 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.255 -7.006 0.436 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.189 -8.071 0.264 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -14.791 -8.339 -0.891 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -14.730 -8.635 1.278 1.00 1.56 O ATOM 0 H GLU A 112 -15.123 -3.183 0.366 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.667 -4.626 0.099 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.632 -5.538 -0.976 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -14.778 -5.476 0.553 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -16.613 -7.021 1.465 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.106 -7.245 -0.201 1.00 1.14 H new ATOM 1778 N LYS A 113 -18.100 -4.537 2.563 1.00 0.82 N ATOM 1779 CA LYS A 113 -18.378 -4.641 3.986 1.00 0.95 C ATOM 1780 C LYS A 113 -19.260 -5.843 4.278 1.00 1.14 C ATOM 1781 O LYS A 113 -20.244 -6.079 3.574 1.00 1.29 O ATOM 1782 CB LYS A 113 -19.049 -3.365 4.504 1.00 1.09 C ATOM 1783 CG LYS A 113 -18.140 -2.146 4.493 1.00 1.10 C ATOM 1784 CD LYS A 113 -18.869 -0.878 4.927 1.00 1.47 C ATOM 1785 CE LYS A 113 -19.071 -0.797 6.438 1.00 1.97 C ATOM 1786 NZ LYS A 113 -20.034 -1.802 6.955 1.00 2.69 N ATOM 0 H LYS A 113 -18.926 -4.405 1.979 1.00 0.82 H new ATOM 0 HA LYS A 113 -17.427 -4.771 4.502 1.00 0.95 H new ATOM 0 HB2 LYS A 113 -19.929 -3.156 3.896 1.00 1.09 H new ATOM 0 HB3 LYS A 113 -19.398 -3.537 5.522 1.00 1.09 H new ATOM 0 HG2 LYS A 113 -17.293 -2.321 5.156 1.00 1.10 H new ATOM 0 HG3 LYS A 113 -17.736 -2.005 3.490 1.00 1.10 H new ATOM 0 HD2 LYS A 113 -18.304 -0.008 4.594 1.00 1.47 H new ATOM 0 HD3 LYS A 113 -19.840 -0.836 4.433 1.00 1.47 H new ATOM 0 HE2 LYS A 113 -18.110 -0.935 6.934 1.00 1.97 H new ATOM 0 HE3 LYS A 113 -19.423 0.201 6.698 1.00 1.97 H new ATOM 0 HZ1 LYS A 113 -20.584 -1.387 7.734 1.00 2.69 H new ATOM 0 HZ2 LYS A 113 -20.678 -2.091 6.191 1.00 2.69 H new ATOM 0 HZ3 LYS A 113 -19.515 -2.633 7.303 1.00 2.69 H new ATOM 1800 N ASN A 114 -18.868 -6.612 5.292 1.00 1.33 N ATOM 1801 CA ASN A 114 -19.678 -7.713 5.819 1.00 1.59 C ATOM 1802 C ASN A 114 -19.752 -8.873 4.829 1.00 1.87 C ATOM 1803 O ASN A 114 -20.588 -8.824 3.902 1.00 2.52 O ATOM 1804 CB ASN A 114 -21.086 -7.220 6.168 1.00 2.62 C ATOM 1805 CG ASN A 114 -21.954 -8.294 6.794 1.00 3.39 C ATOM 1806 OD1 ASN A 114 -21.469 -9.178 7.501 1.00 3.87 O ATOM 1807 ND2 ASN A 114 -23.249 -8.217 6.543 1.00 3.97 N ATOM 1808 OXT ASN A 114 -18.964 -9.828 4.979 1.00 2.41 O ATOM 0 H ASN A 114 -17.977 -6.490 5.774 1.00 1.33 H new ATOM 0 HA ASN A 114 -19.196 -8.078 6.726 1.00 1.59 H new ATOM 0 HB2 ASN A 114 -21.009 -6.377 6.855 1.00 2.62 H new ATOM 0 HB3 ASN A 114 -21.570 -6.851 5.264 1.00 2.62 H new ATOM 0 HD21 ASN A 114 -23.887 -8.906 6.940 1.00 3.97 H new ATOM 0 HD22 ASN A 114 -23.610 -7.468 5.952 1.00 3.97 H new TER 1815 ASN A 114