USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 733 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 21 TYR OH : rot -9:sc= 0.544 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 174:sc= 2.19 (180deg=0.848) USER MOD Set 1.3: B 8 THR OG1 : rot 70:sc= 0.186 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.0509) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.835) USER MOD Single : A 29 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.29) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -67:sc= 0.935 USER MOD Single : A 35 HIS : no HE2:sc= -2.19! K(o=-2.2!,f=-4) USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= 1.2 (180deg=0.534) USER MOD Single : A 40 MET CE :methyl 153:sc= -0.289 (180deg=-1.14) USER MOD Single : A 41 THR OG1 : rot -42:sc= 0.146 USER MOD Single : A 42 THR OG1 : rot -145:sc= -0.731 USER MOD Single : A 43 HIS : no HD1:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.03) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0.977 (180deg=0.961) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 2.21 (180deg=1.85) USER MOD Single : A 50 SER OG : rot 69:sc= 1.03 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 52 CYS SG : rot 59:sc= 1.22 USER MOD Single : A 53 GLN : amide:sc= -0.826 K(o=-0.83,f=-2.8!) USER MOD Single : A 55 GLN : amide:sc= -0.0687 X(o=-0.069,f=-0.12) USER MOD Single : A 59 MET CE :methyl -155:sc= -0.295 (180deg=-0.742) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -73:sc= 1.2 USER MOD Single : A 69 GLN : amide:sc= -0.0402 K(o=-0.04,f=-0.76) USER MOD Single : A 74 ASN : amide:sc= 0.0329 K(o=0.033,f=-2.7!) USER MOD Single : A 75 HIS : no HD1:sc= -2.03 K(o=-2,f=-3!) USER MOD Single : A 76 THR OG1 : rot -65:sc= 1.11 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -122:sc= -0.0412 (180deg=-0.504) USER MOD Single : A 91 TYR OH : rot 178:sc= 1.22 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -92:sc= 0.112 USER MOD Single : B 1 LYS N :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 0.352 -7.424 7.268 1.00 2.10 N ATOM 2 CA TYR A 21 0.813 -7.354 5.863 1.00 1.86 C ATOM 3 C TYR A 21 2.275 -6.948 5.815 1.00 1.78 C ATOM 4 O TYR A 21 2.737 -6.184 6.662 1.00 1.85 O ATOM 5 CB TYR A 21 -0.035 -6.354 5.071 1.00 1.79 C ATOM 6 CG TYR A 21 -0.865 -7.002 3.986 1.00 1.93 C ATOM 7 CD1 TYR A 21 -1.804 -7.974 4.299 1.00 2.36 C ATOM 8 CD2 TYR A 21 -0.710 -6.647 2.652 1.00 2.26 C ATOM 9 CE1 TYR A 21 -2.562 -8.578 3.319 1.00 2.52 C ATOM 10 CE2 TYR A 21 -1.467 -7.247 1.664 1.00 2.53 C ATOM 11 CZ TYR A 21 -2.390 -8.212 2.004 1.00 2.41 C ATOM 12 OH TYR A 21 -3.153 -8.812 1.028 1.00 2.72 O ATOM 0 HA TYR A 21 0.702 -8.340 5.411 1.00 1.86 H new ATOM 0 HB2 TYR A 21 -0.696 -5.825 5.757 1.00 1.79 H new ATOM 0 HB3 TYR A 21 0.620 -5.608 4.621 1.00 1.79 H new ATOM 0 HD1 TYR A 21 -1.944 -8.263 5.330 1.00 2.36 H new ATOM 0 HD2 TYR A 21 0.013 -5.891 2.383 1.00 2.26 H new ATOM 0 HE1 TYR A 21 -3.287 -9.334 3.582 1.00 2.52 H new ATOM 0 HE2 TYR A 21 -1.336 -6.961 0.631 1.00 2.53 H new ATOM 0 HH TYR A 21 -3.650 -9.562 1.416 1.00 2.72 H new ATOM 22 N ILE A 22 2.995 -7.451 4.825 1.00 1.66 N ATOM 23 CA ILE A 22 4.408 -7.142 4.678 1.00 1.60 C ATOM 24 C ILE A 22 4.576 -5.714 4.182 1.00 1.48 C ATOM 25 O ILE A 22 4.048 -5.347 3.134 1.00 1.43 O ATOM 26 CB ILE A 22 5.096 -8.113 3.691 1.00 1.60 C ATOM 27 CG1 ILE A 22 4.976 -9.559 4.184 1.00 1.81 C ATOM 28 CG2 ILE A 22 6.559 -7.736 3.489 1.00 1.58 C ATOM 29 CD1 ILE A 22 5.764 -9.848 5.445 1.00 1.99 C ATOM 0 H ILE A 22 2.623 -8.076 4.110 1.00 1.66 H new ATOM 0 HA ILE A 22 4.879 -7.253 5.655 1.00 1.60 H new ATOM 0 HB ILE A 22 4.589 -8.034 2.729 1.00 1.60 H new ATOM 0 HG12 ILE A 22 3.925 -9.784 4.365 1.00 1.81 H new ATOM 0 HG13 ILE A 22 5.314 -10.230 3.395 1.00 1.81 H new ATOM 0 HG21 ILE A 22 7.021 -8.434 2.791 1.00 1.58 H new ATOM 0 HG22 ILE A 22 6.622 -6.725 3.087 1.00 1.58 H new ATOM 0 HG23 ILE A 22 7.081 -7.780 4.445 1.00 1.58 H new ATOM 0 HD11 ILE A 22 5.627 -10.892 5.729 1.00 1.99 H new ATOM 0 HD12 ILE A 22 6.822 -9.657 5.265 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.411 -9.204 6.250 1.00 1.99 H new ATOM 41 N LYS A 23 5.291 -4.911 4.943 1.00 1.47 N ATOM 42 CA LYS A 23 5.514 -3.528 4.577 1.00 1.39 C ATOM 43 C LYS A 23 6.875 -3.365 3.920 1.00 1.34 C ATOM 44 O LYS A 23 7.906 -3.663 4.521 1.00 1.48 O ATOM 45 CB LYS A 23 5.412 -2.632 5.811 1.00 1.51 C ATOM 46 CG LYS A 23 5.074 -1.186 5.490 1.00 1.98 C ATOM 47 CD LYS A 23 5.073 -0.331 6.745 1.00 2.61 C ATOM 48 CE LYS A 23 6.479 0.120 7.111 1.00 3.07 C ATOM 49 NZ LYS A 23 6.653 0.259 8.578 1.00 2.83 N ATOM 0 H LYS A 23 5.728 -5.193 5.820 1.00 1.47 H new ATOM 0 HA LYS A 23 4.746 -3.230 3.863 1.00 1.39 H new ATOM 0 HB2 LYS A 23 4.650 -3.034 6.479 1.00 1.51 H new ATOM 0 HB3 LYS A 23 6.358 -2.663 6.351 1.00 1.51 H new ATOM 0 HG2 LYS A 23 5.798 -0.790 4.778 1.00 1.98 H new ATOM 0 HG3 LYS A 23 4.096 -1.136 5.012 1.00 1.98 H new ATOM 0 HD2 LYS A 23 4.438 0.541 6.592 1.00 2.61 H new ATOM 0 HD3 LYS A 23 4.644 -0.897 7.572 1.00 2.61 H new ATOM 0 HE2 LYS A 23 7.202 -0.599 6.727 1.00 3.07 H new ATOM 0 HE3 LYS A 23 6.691 1.074 6.629 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 7.381 0.975 8.775 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 5.753 0.553 9.008 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 6.947 -0.654 8.981 1.00 2.83 H new ATOM 63 N LEU A 24 6.867 -2.909 2.679 1.00 1.21 N ATOM 64 CA LEU A 24 8.099 -2.691 1.940 1.00 1.21 C ATOM 65 C LEU A 24 8.445 -1.212 1.931 1.00 1.21 C ATOM 66 O LEU A 24 7.557 -0.363 1.853 1.00 1.15 O ATOM 67 CB LEU A 24 7.967 -3.184 0.498 1.00 1.15 C ATOM 68 CG LEU A 24 7.713 -4.682 0.326 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.638 -5.036 -1.152 1.00 1.15 C ATOM 70 CD2 LEU A 24 8.801 -5.494 1.011 1.00 1.36 C ATOM 0 H LEU A 24 6.018 -2.682 2.161 1.00 1.21 H new ATOM 0 HA LEU A 24 8.891 -3.253 2.434 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.152 -2.640 0.021 1.00 1.15 H new ATOM 0 HB3 LEU A 24 8.880 -2.926 -0.039 1.00 1.15 H new ATOM 0 HG LEU A 24 6.759 -4.926 0.794 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.457 -6.105 -1.261 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.824 -4.481 -1.618 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.579 -4.776 -1.637 1.00 1.15 H new ATOM 0 HD21 LEU A 24 8.601 -6.557 0.876 1.00 1.36 H new ATOM 0 HD22 LEU A 24 9.768 -5.249 0.573 1.00 1.36 H new ATOM 0 HD23 LEU A 24 8.815 -5.259 2.075 1.00 1.36 H new ATOM 82 N LYS A 25 9.728 -0.910 2.035 1.00 1.36 N ATOM 83 CA LYS A 25 10.190 0.467 2.007 1.00 1.42 C ATOM 84 C LYS A 25 10.667 0.823 0.604 1.00 1.43 C ATOM 85 O LYS A 25 11.753 0.417 0.187 1.00 1.55 O ATOM 86 CB LYS A 25 11.320 0.685 3.013 1.00 1.62 C ATOM 87 CG LYS A 25 10.842 1.071 4.407 1.00 1.51 C ATOM 88 CD LYS A 25 11.988 1.586 5.269 1.00 1.67 C ATOM 89 CE LYS A 25 12.450 2.961 4.817 1.00 2.04 C ATOM 90 NZ LYS A 25 13.693 3.394 5.511 1.00 2.70 N ATOM 0 H LYS A 25 10.470 -1.602 2.140 1.00 1.36 H new ATOM 0 HA LYS A 25 9.358 1.115 2.283 1.00 1.42 H new ATOM 0 HB2 LYS A 25 11.912 -0.228 3.083 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.981 1.466 2.638 1.00 1.62 H new ATOM 0 HG2 LYS A 25 10.071 1.838 4.329 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.384 0.207 4.888 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.669 1.632 6.310 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.823 0.887 5.222 1.00 1.67 H new ATOM 0 HE2 LYS A 25 12.623 2.949 3.741 1.00 2.04 H new ATOM 0 HE3 LYS A 25 11.659 3.688 5.005 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 14.173 4.121 4.942 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 13.451 3.787 6.443 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 14.325 2.577 5.633 1.00 2.70 H new ATOM 104 N VAL A 26 9.842 1.560 -0.122 1.00 1.35 N ATOM 105 CA VAL A 26 10.172 1.965 -1.479 1.00 1.41 C ATOM 106 C VAL A 26 11.068 3.196 -1.453 1.00 1.60 C ATOM 107 O VAL A 26 10.663 4.259 -0.980 1.00 1.62 O ATOM 108 CB VAL A 26 8.908 2.269 -2.310 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.228 2.241 -3.796 1.00 1.46 C ATOM 110 CG2 VAL A 26 7.788 1.290 -1.983 1.00 1.13 C ATOM 0 H VAL A 26 8.935 1.891 0.207 1.00 1.35 H new ATOM 0 HA VAL A 26 10.696 1.133 -1.950 1.00 1.41 H new ATOM 0 HB VAL A 26 8.565 3.270 -2.049 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.325 2.457 -4.367 1.00 1.46 H new ATOM 0 HG12 VAL A 26 9.987 2.991 -4.019 1.00 1.46 H new ATOM 0 HG13 VAL A 26 9.602 1.254 -4.069 1.00 1.46 H new ATOM 0 HG21 VAL A 26 6.910 1.528 -2.583 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.116 0.275 -2.206 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.536 1.366 -0.925 1.00 1.13 H new ATOM 120 N ILE A 27 12.289 3.035 -1.945 1.00 1.78 N ATOM 121 CA ILE A 27 13.262 4.117 -1.971 1.00 1.99 C ATOM 122 C ILE A 27 13.482 4.625 -3.391 1.00 2.13 C ATOM 123 O ILE A 27 13.830 3.856 -4.291 1.00 2.21 O ATOM 124 CB ILE A 27 14.622 3.671 -1.386 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.441 3.061 0.011 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.598 4.841 -1.336 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.903 4.030 1.043 1.00 2.07 C ATOM 0 H ILE A 27 12.631 2.157 -2.335 1.00 1.78 H new ATOM 0 HA ILE A 27 12.854 4.919 -1.356 1.00 1.99 H new ATOM 0 HB ILE A 27 15.037 2.906 -2.042 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.764 2.210 -0.061 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.401 2.676 0.355 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.548 4.505 -0.921 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.758 5.225 -2.344 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.187 5.631 -0.707 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.804 3.522 2.002 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.590 4.870 1.146 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.927 4.396 0.724 1.00 2.07 H new ATOM 139 N GLY A 28 13.265 5.915 -3.588 1.00 2.21 N ATOM 140 CA GLY A 28 13.466 6.508 -4.893 1.00 2.40 C ATOM 141 C GLY A 28 14.821 7.179 -4.998 1.00 2.63 C ATOM 142 O GLY A 28 15.576 7.218 -4.020 1.00 2.64 O ATOM 0 H GLY A 28 12.952 6.564 -2.866 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.380 5.738 -5.660 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.681 7.239 -5.086 1.00 2.40 H new ATOM 146 N GLN A 29 15.134 7.723 -6.169 1.00 2.84 N ATOM 147 CA GLN A 29 16.416 8.396 -6.382 1.00 3.07 C ATOM 148 C GLN A 29 16.476 9.698 -5.582 1.00 3.11 C ATOM 149 O GLN A 29 17.554 10.216 -5.284 1.00 3.26 O ATOM 150 CB GLN A 29 16.636 8.680 -7.872 1.00 3.28 C ATOM 151 CG GLN A 29 17.998 9.285 -8.183 1.00 3.53 C ATOM 152 CD GLN A 29 19.149 8.353 -7.846 1.00 3.59 C ATOM 153 OE1 GLN A 29 19.627 7.602 -8.696 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.602 8.394 -6.602 1.00 3.52 N ATOM 0 H GLN A 29 14.522 7.713 -6.985 1.00 2.84 H new ATOM 0 HA GLN A 29 17.210 7.735 -6.034 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.525 7.751 -8.431 1.00 3.28 H new ATOM 0 HB3 GLN A 29 15.858 9.358 -8.223 1.00 3.28 H new ATOM 0 HG2 GLN A 29 18.043 9.542 -9.241 1.00 3.53 H new ATOM 0 HG3 GLN A 29 18.114 10.214 -7.624 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.179 9.030 -5.926 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.374 7.789 -6.320 1.00 3.52 H new ATOM 163 N ASP A 30 15.306 10.198 -5.215 1.00 3.01 N ATOM 164 CA ASP A 30 15.194 11.429 -4.441 1.00 3.07 C ATOM 165 C ASP A 30 15.305 11.129 -2.947 1.00 2.98 C ATOM 166 O ASP A 30 15.009 11.978 -2.108 1.00 3.01 O ATOM 167 CB ASP A 30 13.864 12.128 -4.744 1.00 3.06 C ATOM 168 CG ASP A 30 12.659 11.324 -4.295 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.616 10.104 -4.562 1.00 2.77 O ATOM 170 OD2 ASP A 30 11.748 11.905 -3.675 1.00 2.90 O ATOM 0 H ASP A 30 14.411 9.766 -5.443 1.00 3.01 H new ATOM 0 HA ASP A 30 16.010 12.093 -4.725 1.00 3.07 H new ATOM 0 HB2 ASP A 30 13.850 13.100 -4.251 1.00 3.06 H new ATOM 0 HB3 ASP A 30 13.792 12.313 -5.816 1.00 3.06 H new ATOM 175 N SER A 31 15.717 9.899 -2.640 1.00 2.89 N ATOM 176 CA SER A 31 15.900 9.442 -1.265 1.00 2.82 C ATOM 177 C SER A 31 14.591 9.469 -0.474 1.00 2.62 C ATOM 178 O SER A 31 14.584 9.731 0.734 1.00 2.65 O ATOM 179 CB SER A 31 16.978 10.278 -0.571 1.00 3.05 C ATOM 180 OG SER A 31 18.206 10.187 -1.277 1.00 3.25 O ATOM 0 H SER A 31 15.934 9.190 -3.341 1.00 2.89 H new ATOM 0 HA SER A 31 16.228 8.403 -1.299 1.00 2.82 H new ATOM 0 HB2 SER A 31 16.660 11.319 -0.515 1.00 3.05 H new ATOM 0 HB3 SER A 31 17.113 9.930 0.453 1.00 3.05 H new ATOM 0 HG SER A 31 18.885 10.728 -0.823 1.00 3.25 H new ATOM 186 N SER A 32 13.487 9.193 -1.154 1.00 2.47 N ATOM 187 CA SER A 32 12.188 9.159 -0.509 1.00 2.32 C ATOM 188 C SER A 32 11.886 7.738 -0.061 1.00 2.11 C ATOM 189 O SER A 32 12.366 6.779 -0.667 1.00 2.13 O ATOM 190 CB SER A 32 11.102 9.661 -1.463 1.00 2.33 C ATOM 191 OG SER A 32 11.154 8.978 -2.704 1.00 2.38 O ATOM 0 H SER A 32 13.468 8.990 -2.153 1.00 2.47 H new ATOM 0 HA SER A 32 12.203 9.815 0.361 1.00 2.32 H new ATOM 0 HB2 SER A 32 10.121 9.520 -1.008 1.00 2.33 H new ATOM 0 HB3 SER A 32 11.226 10.731 -1.628 1.00 2.33 H new ATOM 0 HG SER A 32 11.981 9.215 -3.173 1.00 2.38 H new ATOM 197 N GLU A 33 11.122 7.601 1.008 1.00 2.01 N ATOM 198 CA GLU A 33 10.770 6.289 1.525 1.00 1.87 C ATOM 199 C GLU A 33 9.263 6.154 1.612 1.00 1.79 C ATOM 200 O GLU A 33 8.620 6.859 2.386 1.00 2.00 O ATOM 201 CB GLU A 33 11.374 6.065 2.915 1.00 1.98 C ATOM 202 CG GLU A 33 12.609 6.901 3.195 1.00 2.57 C ATOM 203 CD GLU A 33 13.285 6.516 4.493 1.00 2.75 C ATOM 204 OE1 GLU A 33 12.796 6.923 5.567 1.00 2.99 O ATOM 205 OE2 GLU A 33 14.312 5.809 4.446 1.00 2.98 O ATOM 0 H GLU A 33 10.733 8.382 1.536 1.00 2.01 H new ATOM 0 HA GLU A 33 11.171 5.540 0.842 1.00 1.87 H new ATOM 0 HB2 GLU A 33 10.618 6.289 3.668 1.00 1.98 H new ATOM 0 HB3 GLU A 33 11.630 5.011 3.023 1.00 1.98 H new ATOM 0 HG2 GLU A 33 13.316 6.787 2.373 1.00 2.57 H new ATOM 0 HG3 GLU A 33 12.331 7.954 3.232 1.00 2.57 H new ATOM 212 N ILE A 34 8.699 5.284 0.795 1.00 1.58 N ATOM 213 CA ILE A 34 7.264 5.058 0.804 1.00 1.50 C ATOM 214 C ILE A 34 6.966 3.661 1.326 1.00 1.38 C ATOM 215 O ILE A 34 7.713 2.722 1.061 1.00 1.31 O ATOM 216 CB ILE A 34 6.640 5.235 -0.600 1.00 1.46 C ATOM 217 CG1 ILE A 34 7.194 6.491 -1.289 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.123 5.314 -0.498 1.00 1.41 C ATOM 219 CD1 ILE A 34 6.851 7.785 -0.578 1.00 1.81 C ATOM 0 H ILE A 34 9.212 4.722 0.116 1.00 1.58 H new ATOM 0 HA ILE A 34 6.817 5.804 1.461 1.00 1.50 H new ATOM 0 HB ILE A 34 6.907 4.368 -1.204 1.00 1.46 H new ATOM 0 HG12 ILE A 34 8.278 6.405 -1.362 1.00 1.71 H new ATOM 0 HG13 ILE A 34 6.808 6.535 -2.308 1.00 1.71 H new ATOM 0 HG21 ILE A 34 4.697 5.439 -1.494 1.00 1.41 H new ATOM 0 HG22 ILE A 34 4.740 4.396 -0.052 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.844 6.164 0.125 1.00 1.41 H new ATOM 0 HD11 ILE A 34 7.278 8.625 -1.126 1.00 1.81 H new ATOM 0 HD12 ILE A 34 5.768 7.897 -0.528 1.00 1.81 H new ATOM 0 HD13 ILE A 34 7.261 7.765 0.432 1.00 1.81 H new ATOM 231 N HIS A 35 5.893 3.528 2.085 1.00 1.41 N ATOM 232 CA HIS A 35 5.517 2.242 2.644 1.00 1.33 C ATOM 233 C HIS A 35 4.565 1.515 1.698 1.00 1.23 C ATOM 234 O HIS A 35 3.680 2.127 1.096 1.00 1.29 O ATOM 235 CB HIS A 35 4.880 2.425 4.025 1.00 1.46 C ATOM 236 CG HIS A 35 5.821 2.961 5.059 1.00 1.58 C ATOM 237 ND1 HIS A 35 5.421 3.686 6.158 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.169 2.837 5.162 1.00 1.83 C ATOM 239 CE1 HIS A 35 6.511 3.973 6.881 1.00 2.04 C ATOM 240 NE2 HIS A 35 7.599 3.480 6.319 1.00 2.02 N ATOM 0 H HIS A 35 5.266 4.295 2.328 1.00 1.41 H new ATOM 0 HA HIS A 35 6.414 1.634 2.763 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.030 3.101 3.936 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.490 1.466 4.365 1.00 1.46 H new ATOM 0 HD1 HIS A 35 4.464 3.957 6.382 1.00 1.91 H new ATOM 0 HD2 HIS A 35 7.806 2.322 4.458 1.00 1.83 H new ATOM 0 HE1 HIS A 35 6.501 4.535 7.803 1.00 2.04 H new ATOM 248 N PHE A 36 4.746 0.207 1.567 1.00 1.15 N ATOM 249 CA PHE A 36 3.921 -0.586 0.666 1.00 1.06 C ATOM 250 C PHE A 36 3.379 -1.849 1.335 1.00 1.12 C ATOM 251 O PHE A 36 4.150 -2.665 1.835 1.00 1.18 O ATOM 252 CB PHE A 36 4.756 -0.984 -0.550 1.00 0.98 C ATOM 253 CG PHE A 36 4.039 -0.858 -1.859 1.00 0.94 C ATOM 254 CD1 PHE A 36 2.664 -0.991 -1.933 1.00 1.06 C ATOM 255 CD2 PHE A 36 4.746 -0.609 -3.019 1.00 1.25 C ATOM 256 CE1 PHE A 36 2.010 -0.875 -3.142 1.00 1.30 C ATOM 257 CE2 PHE A 36 4.099 -0.494 -4.229 1.00 1.53 C ATOM 258 CZ PHE A 36 2.729 -0.627 -4.293 1.00 1.49 C ATOM 0 H PHE A 36 5.455 -0.326 2.072 1.00 1.15 H new ATOM 0 HA PHE A 36 3.067 0.025 0.373 1.00 1.06 H new ATOM 0 HB2 PHE A 36 5.652 -0.364 -0.579 1.00 0.98 H new ATOM 0 HB3 PHE A 36 5.086 -2.016 -0.428 1.00 0.98 H new ATOM 0 HD1 PHE A 36 2.097 -1.188 -1.035 1.00 1.06 H new ATOM 0 HD2 PHE A 36 5.820 -0.503 -2.976 1.00 1.25 H new ATOM 0 HE1 PHE A 36 0.936 -0.978 -3.187 1.00 1.30 H new ATOM 0 HE2 PHE A 36 4.665 -0.300 -5.128 1.00 1.53 H new ATOM 0 HZ PHE A 36 2.220 -0.537 -5.241 1.00 1.49 H new ATOM 268 N LYS A 37 2.053 -1.985 1.366 1.00 1.21 N ATOM 269 CA LYS A 37 1.414 -3.177 1.932 1.00 1.34 C ATOM 270 C LYS A 37 1.408 -4.317 0.911 1.00 1.28 C ATOM 271 O LYS A 37 0.556 -4.352 0.021 1.00 1.35 O ATOM 272 CB LYS A 37 -0.031 -2.874 2.341 1.00 1.57 C ATOM 273 CG LYS A 37 -0.181 -2.241 3.712 1.00 1.77 C ATOM 274 CD LYS A 37 -1.309 -1.222 3.716 1.00 2.07 C ATOM 275 CE LYS A 37 -1.467 -0.547 5.071 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.513 0.509 5.041 1.00 2.40 N ATOM 0 H LYS A 37 1.401 -1.288 1.007 1.00 1.21 H new ATOM 0 HA LYS A 37 1.986 -3.474 2.811 1.00 1.34 H new ATOM 0 HB2 LYS A 37 -0.473 -2.210 1.598 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.603 -3.802 2.319 1.00 1.57 H new ATOM 0 HG2 LYS A 37 -0.380 -3.014 4.454 1.00 1.77 H new ATOM 0 HG3 LYS A 37 0.753 -1.757 3.998 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.116 -0.466 2.955 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -2.243 -1.715 3.446 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -1.725 -1.294 5.822 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -0.516 -0.108 5.372 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.065 1.444 5.122 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -3.038 0.453 4.145 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -3.169 0.370 5.836 1.00 2.40 H new ATOM 290 N VAL A 38 2.348 -5.243 1.038 1.00 1.24 N ATOM 291 CA VAL A 38 2.434 -6.373 0.118 1.00 1.25 C ATOM 292 C VAL A 38 2.178 -7.698 0.847 1.00 1.39 C ATOM 293 O VAL A 38 2.221 -7.764 2.076 1.00 1.48 O ATOM 294 CB VAL A 38 3.812 -6.412 -0.594 1.00 1.19 C ATOM 295 CG1 VAL A 38 4.884 -7.000 0.310 1.00 1.57 C ATOM 296 CG2 VAL A 38 3.726 -7.181 -1.906 1.00 1.27 C ATOM 0 H VAL A 38 3.061 -5.236 1.767 1.00 1.24 H new ATOM 0 HA VAL A 38 1.660 -6.239 -0.638 1.00 1.25 H new ATOM 0 HB VAL A 38 4.096 -5.385 -0.822 1.00 1.19 H new ATOM 0 HG11 VAL A 38 5.838 -7.014 -0.218 1.00 1.57 H new ATOM 0 HG12 VAL A 38 4.976 -6.391 1.209 1.00 1.57 H new ATOM 0 HG13 VAL A 38 4.608 -8.017 0.587 1.00 1.57 H new ATOM 0 HG21 VAL A 38 4.705 -7.194 -2.385 1.00 1.27 H new ATOM 0 HG22 VAL A 38 3.406 -8.204 -1.708 1.00 1.27 H new ATOM 0 HG23 VAL A 38 3.006 -6.697 -2.565 1.00 1.27 H new ATOM 306 N LYS A 39 1.899 -8.746 0.085 1.00 1.43 N ATOM 307 CA LYS A 39 1.633 -10.062 0.648 1.00 1.60 C ATOM 308 C LYS A 39 2.380 -11.130 -0.139 1.00 1.60 C ATOM 309 O LYS A 39 2.522 -11.025 -1.359 1.00 1.49 O ATOM 310 CB LYS A 39 0.130 -10.354 0.627 1.00 1.69 C ATOM 311 CG LYS A 39 -0.545 -9.998 -0.693 1.00 2.00 C ATOM 312 CD LYS A 39 -1.121 -11.226 -1.380 1.00 2.35 C ATOM 313 CE LYS A 39 -2.395 -11.708 -0.701 1.00 2.74 C ATOM 314 NZ LYS A 39 -3.519 -10.752 -0.880 1.00 3.20 N ATOM 0 H LYS A 39 1.851 -8.709 -0.933 1.00 1.43 H new ATOM 0 HA LYS A 39 1.980 -10.075 1.681 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -0.028 -11.413 0.832 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -0.350 -9.798 1.432 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -1.341 -9.276 -0.511 1.00 2.00 H new ATOM 0 HG3 LYS A 39 0.177 -9.517 -1.353 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -1.331 -10.993 -2.424 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -0.381 -12.026 -1.374 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -2.677 -12.679 -1.108 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -2.207 -11.851 0.363 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -4.391 -11.164 -0.491 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -3.303 -9.865 -0.382 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -3.651 -10.557 -1.893 1.00 3.20 H new ATOM 328 N MET A 40 2.862 -12.157 0.551 1.00 1.76 N ATOM 329 CA MET A 40 3.583 -13.234 -0.116 1.00 1.82 C ATOM 330 C MET A 40 2.594 -14.228 -0.702 1.00 1.89 C ATOM 331 O MET A 40 2.254 -15.236 -0.077 1.00 2.06 O ATOM 332 CB MET A 40 4.538 -13.961 0.841 1.00 2.01 C ATOM 333 CG MET A 40 4.855 -13.196 2.119 1.00 1.99 C ATOM 334 SD MET A 40 3.534 -13.301 3.344 1.00 2.53 S ATOM 335 CE MET A 40 3.518 -15.067 3.662 1.00 3.01 C ATOM 0 H MET A 40 2.768 -12.267 1.561 1.00 1.76 H new ATOM 0 HA MET A 40 4.181 -12.789 -0.911 1.00 1.82 H new ATOM 0 HB2 MET A 40 4.102 -14.924 1.108 1.00 2.01 H new ATOM 0 HB3 MET A 40 5.470 -14.168 0.316 1.00 2.01 H new ATOM 0 HG2 MET A 40 5.777 -13.586 2.551 1.00 1.99 H new ATOM 0 HG3 MET A 40 5.035 -12.149 1.875 1.00 1.99 H new ATOM 0 HE1 MET A 40 3.147 -15.252 4.670 1.00 3.01 H new ATOM 0 HE2 MET A 40 2.868 -15.561 2.940 1.00 3.01 H new ATOM 0 HE3 MET A 40 4.530 -15.462 3.570 1.00 3.01 H new ATOM 345 N THR A 41 2.121 -13.920 -1.902 1.00 1.77 N ATOM 346 CA THR A 41 1.166 -14.751 -2.625 1.00 1.85 C ATOM 347 C THR A 41 1.102 -14.275 -4.069 1.00 1.77 C ATOM 348 O THR A 41 1.430 -15.010 -5.005 1.00 1.92 O ATOM 349 CB THR A 41 -0.263 -14.687 -2.022 1.00 1.99 C ATOM 350 OG1 THR A 41 -0.216 -14.513 -0.599 1.00 2.21 O ATOM 351 CG2 THR A 41 -1.039 -15.953 -2.351 1.00 2.21 C ATOM 0 H THR A 41 2.392 -13.076 -2.407 1.00 1.77 H new ATOM 0 HA THR A 41 1.509 -15.783 -2.553 1.00 1.85 H new ATOM 0 HB THR A 41 -0.769 -13.828 -2.464 1.00 1.99 H new ATOM 0 HG1 THR A 41 0.484 -15.086 -0.222 1.00 2.21 H new ATOM 0 HG21 THR A 41 -2.038 -15.890 -1.920 1.00 2.21 H new ATOM 0 HG22 THR A 41 -1.117 -16.061 -3.433 1.00 2.21 H new ATOM 0 HG23 THR A 41 -0.519 -16.817 -1.936 1.00 2.21 H new ATOM 359 N THR A 42 0.714 -13.015 -4.226 1.00 1.62 N ATOM 360 CA THR A 42 0.602 -12.392 -5.529 1.00 1.60 C ATOM 361 C THR A 42 1.982 -12.032 -6.063 1.00 1.48 C ATOM 362 O THR A 42 2.898 -11.750 -5.287 1.00 1.35 O ATOM 363 CB THR A 42 -0.265 -11.121 -5.444 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.396 -11.364 -4.592 1.00 1.63 O ATOM 365 CG2 THR A 42 -0.745 -10.692 -6.823 1.00 1.75 C ATOM 0 H THR A 42 0.469 -12.400 -3.450 1.00 1.62 H new ATOM 0 HA THR A 42 0.129 -13.101 -6.208 1.00 1.60 H new ATOM 0 HB THR A 42 0.344 -10.318 -5.029 1.00 1.58 H new ATOM 0 HG1 THR A 42 -2.172 -10.870 -4.930 1.00 1.63 H new ATOM 0 HG21 THR A 42 -1.354 -9.793 -6.733 1.00 1.75 H new ATOM 0 HG22 THR A 42 0.115 -10.485 -7.460 1.00 1.75 H new ATOM 0 HG23 THR A 42 -1.340 -11.491 -7.266 1.00 1.75 H new ATOM 373 N HIS A 43 2.134 -12.075 -7.381 1.00 1.61 N ATOM 374 CA HIS A 43 3.402 -11.751 -8.022 1.00 1.65 C ATOM 375 C HIS A 43 3.803 -10.308 -7.748 1.00 1.48 C ATOM 376 O HIS A 43 2.957 -9.455 -7.478 1.00 1.33 O ATOM 377 CB HIS A 43 3.305 -11.969 -9.533 1.00 1.90 C ATOM 378 CG HIS A 43 3.572 -13.378 -9.952 1.00 1.95 C ATOM 379 ND1 HIS A 43 4.743 -13.791 -10.538 1.00 2.43 N ATOM 380 CD2 HIS A 43 2.787 -14.479 -9.863 1.00 2.01 C ATOM 381 CE1 HIS A 43 4.639 -15.102 -10.785 1.00 2.36 C ATOM 382 NE2 HIS A 43 3.472 -15.569 -10.390 1.00 2.09 N ATOM 0 H HIS A 43 1.390 -12.333 -8.030 1.00 1.61 H new ATOM 0 HA HIS A 43 4.162 -12.412 -7.605 1.00 1.65 H new ATOM 0 HB2 HIS A 43 2.309 -11.681 -9.870 1.00 1.90 H new ATOM 0 HB3 HIS A 43 4.014 -11.309 -10.033 1.00 1.90 H new ATOM 0 HD2 HIS A 43 1.790 -14.506 -9.449 1.00 2.01 H new ATOM 0 HE1 HIS A 43 5.411 -15.699 -11.248 1.00 2.36 H new ATOM 0 HE2 HIS A 43 3.140 -16.531 -10.457 1.00 2.09 H new ATOM 390 N LEU A 44 5.097 -10.034 -7.849 1.00 1.56 N ATOM 391 CA LEU A 44 5.620 -8.694 -7.619 1.00 1.47 C ATOM 392 C LEU A 44 5.242 -7.766 -8.769 1.00 1.45 C ATOM 393 O LEU A 44 5.502 -6.565 -8.730 1.00 1.45 O ATOM 394 CB LEU A 44 7.136 -8.737 -7.440 1.00 1.65 C ATOM 395 CG LEU A 44 7.616 -9.429 -6.160 1.00 1.77 C ATOM 396 CD1 LEU A 44 9.128 -9.563 -6.154 1.00 1.89 C ATOM 397 CD2 LEU A 44 7.145 -8.665 -4.931 1.00 1.80 C ATOM 0 H LEU A 44 5.807 -10.726 -8.090 1.00 1.56 H new ATOM 0 HA LEU A 44 5.176 -8.303 -6.704 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.574 -9.248 -8.298 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.517 -7.716 -7.448 1.00 1.65 H new ATOM 0 HG LEU A 44 7.184 -10.430 -6.132 1.00 1.77 H new ATOM 0 HD11 LEU A 44 9.446 -10.057 -5.236 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.444 -10.155 -7.013 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.581 -8.573 -6.209 1.00 1.89 H new ATOM 0 HD21 LEU A 44 7.495 -9.171 -4.032 1.00 1.80 H new ATOM 0 HD22 LEU A 44 7.546 -7.652 -4.957 1.00 1.80 H new ATOM 0 HD23 LEU A 44 6.056 -8.624 -4.923 1.00 1.80 H new ATOM 409 N LYS A 45 4.627 -8.346 -9.793 1.00 1.48 N ATOM 410 CA LYS A 45 4.167 -7.594 -10.951 1.00 1.52 C ATOM 411 C LYS A 45 3.124 -6.576 -10.505 1.00 1.41 C ATOM 412 O LYS A 45 3.147 -5.415 -10.925 1.00 1.43 O ATOM 413 CB LYS A 45 3.585 -8.554 -11.997 1.00 1.63 C ATOM 414 CG LYS A 45 2.506 -7.947 -12.883 1.00 1.89 C ATOM 415 CD LYS A 45 1.921 -8.991 -13.820 1.00 1.77 C ATOM 416 CE LYS A 45 0.449 -8.740 -14.099 1.00 2.18 C ATOM 417 NZ LYS A 45 0.221 -7.476 -14.846 1.00 2.44 N ATOM 0 H LYS A 45 4.434 -9.346 -9.843 1.00 1.48 H new ATOM 0 HA LYS A 45 5.003 -7.063 -11.406 1.00 1.52 H new ATOM 0 HB2 LYS A 45 4.395 -8.916 -12.630 1.00 1.63 H new ATOM 0 HB3 LYS A 45 3.170 -9.421 -11.484 1.00 1.63 H new ATOM 0 HG2 LYS A 45 1.715 -7.526 -12.262 1.00 1.89 H new ATOM 0 HG3 LYS A 45 2.926 -7.126 -13.464 1.00 1.89 H new ATOM 0 HD2 LYS A 45 2.474 -8.987 -14.759 1.00 1.77 H new ATOM 0 HD3 LYS A 45 2.044 -9.982 -13.382 1.00 1.77 H new ATOM 0 HE2 LYS A 45 0.043 -9.575 -14.670 1.00 2.18 H new ATOM 0 HE3 LYS A 45 -0.096 -8.705 -13.156 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 -0.666 -7.546 -15.384 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 0.158 -6.683 -14.176 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 1.012 -7.313 -15.502 1.00 2.44 H new ATOM 431 N LYS A 46 2.223 -7.021 -9.628 1.00 1.33 N ATOM 432 CA LYS A 46 1.178 -6.164 -9.087 1.00 1.28 C ATOM 433 C LYS A 46 1.809 -5.016 -8.310 1.00 1.20 C ATOM 434 O LYS A 46 1.350 -3.878 -8.374 1.00 1.20 O ATOM 435 CB LYS A 46 0.258 -6.966 -8.163 1.00 1.31 C ATOM 436 CG LYS A 46 -0.951 -6.187 -7.676 1.00 1.33 C ATOM 437 CD LYS A 46 -1.389 -6.644 -6.295 1.00 1.76 C ATOM 438 CE LYS A 46 -2.843 -6.294 -6.031 1.00 1.82 C ATOM 439 NZ LYS A 46 -3.767 -7.186 -6.776 1.00 2.08 N ATOM 0 H LYS A 46 2.200 -7.979 -9.278 1.00 1.33 H new ATOM 0 HA LYS A 46 0.588 -5.765 -9.912 1.00 1.28 H new ATOM 0 HB2 LYS A 46 -0.084 -7.857 -8.690 1.00 1.31 H new ATOM 0 HB3 LYS A 46 0.831 -7.306 -7.300 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -0.713 -5.124 -7.650 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.774 -6.313 -8.380 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.251 -7.721 -6.206 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -0.758 -6.178 -5.539 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -3.047 -6.369 -4.963 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.026 -5.259 -6.319 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.749 -6.895 -6.598 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -3.566 -7.121 -7.794 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -3.633 -8.167 -6.459 1.00 2.08 H new ATOM 453 N LEU A 47 2.872 -5.339 -7.585 1.00 1.18 N ATOM 454 CA LEU A 47 3.604 -4.365 -6.784 1.00 1.15 C ATOM 455 C LEU A 47 4.146 -3.248 -7.677 1.00 1.18 C ATOM 456 O LEU A 47 4.125 -2.073 -7.311 1.00 1.20 O ATOM 457 CB LEU A 47 4.756 -5.082 -6.059 1.00 1.21 C ATOM 458 CG LEU A 47 5.228 -4.471 -4.735 1.00 1.64 C ATOM 459 CD1 LEU A 47 6.148 -3.285 -4.978 1.00 2.54 C ATOM 460 CD2 LEU A 47 4.042 -4.070 -3.873 1.00 2.22 C ATOM 0 H LEU A 47 3.252 -6.284 -7.535 1.00 1.18 H new ATOM 0 HA LEU A 47 2.936 -3.917 -6.049 1.00 1.15 H new ATOM 0 HB2 LEU A 47 4.449 -6.110 -5.868 1.00 1.21 H new ATOM 0 HB3 LEU A 47 5.609 -5.125 -6.736 1.00 1.21 H new ATOM 0 HG LEU A 47 5.797 -5.230 -4.198 1.00 1.64 H new ATOM 0 HD11 LEU A 47 6.468 -2.871 -4.022 1.00 2.54 H new ATOM 0 HD12 LEU A 47 7.021 -3.612 -5.542 1.00 2.54 H new ATOM 0 HD13 LEU A 47 5.615 -2.521 -5.544 1.00 2.54 H new ATOM 0 HD21 LEU A 47 4.401 -3.639 -2.938 1.00 2.22 H new ATOM 0 HD22 LEU A 47 3.438 -3.334 -4.404 1.00 2.22 H new ATOM 0 HD23 LEU A 47 3.435 -4.949 -3.657 1.00 2.22 H new ATOM 472 N LYS A 48 4.596 -3.630 -8.864 1.00 1.25 N ATOM 473 CA LYS A 48 5.165 -2.688 -9.816 1.00 1.37 C ATOM 474 C LYS A 48 4.103 -1.796 -10.464 1.00 1.38 C ATOM 475 O LYS A 48 4.222 -0.572 -10.443 1.00 1.43 O ATOM 476 CB LYS A 48 5.936 -3.445 -10.900 1.00 1.53 C ATOM 477 CG LYS A 48 7.111 -4.247 -10.363 1.00 1.58 C ATOM 478 CD LYS A 48 7.667 -5.206 -11.407 1.00 1.80 C ATOM 479 CE LYS A 48 8.365 -4.467 -12.541 1.00 2.01 C ATOM 480 NZ LYS A 48 8.976 -5.406 -13.521 1.00 2.26 N ATOM 0 H LYS A 48 4.577 -4.596 -9.192 1.00 1.25 H new ATOM 0 HA LYS A 48 5.841 -2.038 -9.261 1.00 1.37 H new ATOM 0 HB2 LYS A 48 5.253 -4.119 -11.417 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.301 -2.732 -11.640 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.898 -3.566 -10.040 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.796 -4.810 -9.484 1.00 1.58 H new ATOM 0 HD2 LYS A 48 8.370 -5.891 -10.933 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.856 -5.811 -11.813 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.648 -3.825 -13.052 1.00 2.01 H new ATOM 0 HE3 LYS A 48 9.138 -3.817 -12.130 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.230 -4.888 -14.386 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.831 -5.831 -13.108 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.295 -6.156 -13.754 1.00 2.26 H new ATOM 494 N GLU A 49 3.063 -2.405 -11.027 1.00 1.39 N ATOM 495 CA GLU A 49 2.021 -1.642 -11.716 1.00 1.46 C ATOM 496 C GLU A 49 1.192 -0.775 -10.768 1.00 1.40 C ATOM 497 O GLU A 49 0.935 0.389 -11.067 1.00 1.51 O ATOM 498 CB GLU A 49 1.106 -2.567 -12.523 1.00 1.52 C ATOM 499 CG GLU A 49 0.500 -3.702 -11.720 1.00 1.45 C ATOM 500 CD GLU A 49 -0.438 -4.549 -12.549 1.00 1.63 C ATOM 501 OE1 GLU A 49 0.035 -5.237 -13.475 1.00 1.88 O ATOM 502 OE2 GLU A 49 -1.656 -4.531 -12.283 1.00 1.70 O ATOM 0 H GLU A 49 2.918 -3.415 -11.022 1.00 1.39 H new ATOM 0 HA GLU A 49 2.538 -0.967 -12.398 1.00 1.46 H new ATOM 0 HB2 GLU A 49 0.301 -1.974 -12.957 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.674 -2.988 -13.353 1.00 1.52 H new ATOM 0 HG2 GLU A 49 1.297 -4.329 -11.322 1.00 1.45 H new ATOM 0 HG3 GLU A 49 -0.041 -3.293 -10.866 1.00 1.45 H new ATOM 509 N SER A 50 0.790 -1.326 -9.626 1.00 1.30 N ATOM 510 CA SER A 50 -0.023 -0.577 -8.671 1.00 1.32 C ATOM 511 C SER A 50 0.696 0.682 -8.205 1.00 1.33 C ATOM 512 O SER A 50 0.069 1.718 -7.974 1.00 1.46 O ATOM 513 CB SER A 50 -0.379 -1.450 -7.470 1.00 1.26 C ATOM 514 OG SER A 50 -0.933 -2.686 -7.894 1.00 1.37 O ATOM 0 H SER A 50 1.011 -2.280 -9.340 1.00 1.30 H new ATOM 0 HA SER A 50 -0.941 -0.279 -9.178 1.00 1.32 H new ATOM 0 HB2 SER A 50 0.512 -1.632 -6.870 1.00 1.26 H new ATOM 0 HB3 SER A 50 -1.091 -0.927 -6.832 1.00 1.26 H new ATOM 0 HG SER A 50 -0.238 -3.225 -8.325 1.00 1.37 H new ATOM 520 N TYR A 51 2.012 0.599 -8.079 1.00 1.26 N ATOM 521 CA TYR A 51 2.795 1.741 -7.650 1.00 1.33 C ATOM 522 C TYR A 51 2.738 2.833 -8.709 1.00 1.50 C ATOM 523 O TYR A 51 2.543 4.009 -8.399 1.00 1.62 O ATOM 524 CB TYR A 51 4.244 1.340 -7.393 1.00 1.28 C ATOM 525 CG TYR A 51 5.006 2.349 -6.568 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.790 2.456 -5.205 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.935 3.196 -7.155 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.476 3.381 -4.445 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.626 4.125 -6.404 1.00 1.64 C ATOM 530 CZ TYR A 51 6.395 4.214 -5.050 1.00 1.56 C ATOM 531 OH TYR A 51 7.079 5.138 -4.299 1.00 1.69 O ATOM 0 H TYR A 51 2.555 -0.244 -8.267 1.00 1.26 H new ATOM 0 HA TYR A 51 2.373 2.118 -6.718 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.262 0.377 -6.883 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.751 1.205 -8.348 1.00 1.28 H new ATOM 0 HD1 TYR A 51 4.072 1.805 -4.728 1.00 1.35 H new ATOM 0 HD2 TYR A 51 6.120 3.127 -8.217 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.295 3.453 -3.383 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.344 4.779 -6.876 1.00 1.64 H new ATOM 0 HH TYR A 51 7.688 5.643 -4.877 1.00 1.69 H new ATOM 541 N CYS A 52 2.885 2.420 -9.962 1.00 1.55 N ATOM 542 CA CYS A 52 2.853 3.342 -11.089 1.00 1.74 C ATOM 543 C CYS A 52 1.500 4.045 -11.176 1.00 1.84 C ATOM 544 O CYS A 52 1.424 5.215 -11.550 1.00 1.99 O ATOM 545 CB CYS A 52 3.137 2.593 -12.394 1.00 1.82 C ATOM 546 SG CYS A 52 4.680 1.644 -12.385 1.00 1.82 S ATOM 0 H CYS A 52 3.029 1.445 -10.224 1.00 1.55 H new ATOM 0 HA CYS A 52 3.625 4.095 -10.935 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.308 1.915 -12.599 1.00 1.82 H new ATOM 0 HB3 CYS A 52 3.171 3.312 -13.213 1.00 1.82 H new ATOM 0 HG CYS A 52 4.645 0.769 -11.425 1.00 1.82 H new ATOM 552 N GLN A 53 0.442 3.332 -10.804 1.00 1.79 N ATOM 553 CA GLN A 53 -0.910 3.878 -10.838 1.00 1.94 C ATOM 554 C GLN A 53 -1.048 5.055 -9.877 1.00 1.99 C ATOM 555 O GLN A 53 -1.688 6.057 -10.196 1.00 2.17 O ATOM 556 CB GLN A 53 -1.929 2.798 -10.478 1.00 1.91 C ATOM 557 CG GLN A 53 -1.973 1.649 -11.470 1.00 1.94 C ATOM 558 CD GLN A 53 -2.872 0.521 -11.011 1.00 1.90 C ATOM 559 OE1 GLN A 53 -3.045 0.292 -9.813 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.438 -0.206 -11.958 1.00 2.00 N ATOM 0 H GLN A 53 0.496 2.369 -10.473 1.00 1.79 H new ATOM 0 HA GLN A 53 -1.103 4.231 -11.851 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.695 2.404 -9.489 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.919 3.251 -10.415 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.323 2.019 -12.434 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.964 1.266 -11.622 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -3.270 0.015 -12.940 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -4.043 -0.988 -11.708 1.00 2.00 H new ATOM 569 N ARG A 54 -0.441 4.928 -8.702 1.00 1.86 N ATOM 570 CA ARG A 54 -0.495 5.982 -7.694 1.00 1.94 C ATOM 571 C ARG A 54 0.403 7.151 -8.090 1.00 2.02 C ATOM 572 O ARG A 54 0.089 8.309 -7.816 1.00 2.17 O ATOM 573 CB ARG A 54 -0.085 5.436 -6.321 1.00 1.82 C ATOM 574 CG ARG A 54 -0.090 6.483 -5.216 1.00 2.10 C ATOM 575 CD ARG A 54 -0.217 5.845 -3.843 1.00 1.80 C ATOM 576 NE ARG A 54 0.291 6.714 -2.782 1.00 1.77 N ATOM 577 CZ ARG A 54 -0.130 6.681 -1.520 1.00 1.81 C ATOM 578 NH1 ARG A 54 -1.088 5.841 -1.150 1.00 1.85 N ATOM 579 NH2 ARG A 54 0.407 7.497 -0.621 1.00 1.89 N ATOM 0 H ARG A 54 0.094 4.106 -8.424 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.522 6.341 -7.631 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.762 4.627 -6.045 1.00 1.82 H new ATOM 0 HB3 ARG A 54 0.913 5.005 -6.395 1.00 1.82 H new ATOM 0 HG2 ARG A 54 0.829 7.067 -5.263 1.00 2.10 H new ATOM 0 HG3 ARG A 54 -0.916 7.176 -5.374 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -1.264 5.610 -3.648 1.00 1.80 H new ATOM 0 HD3 ARG A 54 0.329 4.902 -3.830 1.00 1.80 H new ATOM 0 HE ARG A 54 1.015 7.390 -3.025 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -1.508 5.213 -1.835 1.00 1.85 H new ATOM 0 HH12 ARG A 54 -1.404 5.823 -0.180 1.00 1.85 H new ATOM 0 HH21 ARG A 54 1.141 8.148 -0.898 1.00 1.89 H new ATOM 0 HH22 ARG A 54 0.085 7.473 0.347 1.00 1.89 H new ATOM 593 N GLN A 55 1.509 6.843 -8.752 1.00 1.96 N ATOM 594 CA GLN A 55 2.449 7.871 -9.191 1.00 2.07 C ATOM 595 C GLN A 55 1.954 8.548 -10.469 1.00 2.27 C ATOM 596 O GLN A 55 2.525 9.542 -10.923 1.00 2.41 O ATOM 597 CB GLN A 55 3.838 7.264 -9.410 1.00 2.01 C ATOM 598 CG GLN A 55 4.402 6.571 -8.179 1.00 1.84 C ATOM 599 CD GLN A 55 4.529 7.495 -6.984 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.591 7.660 -6.204 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.697 8.094 -6.826 1.00 2.24 N ATOM 0 H GLN A 55 1.780 5.891 -8.998 1.00 1.96 H new ATOM 0 HA GLN A 55 2.519 8.628 -8.410 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.786 6.546 -10.229 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.525 8.052 -9.719 1.00 2.01 H new ATOM 0 HG2 GLN A 55 3.759 5.731 -7.915 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.382 6.159 -8.418 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.449 7.930 -7.496 1.00 2.24 H new ATOM 0 HE22 GLN A 55 5.846 8.720 -6.035 1.00 2.24 H new ATOM 610 N GLY A 56 0.891 7.997 -11.046 1.00 2.29 N ATOM 611 CA GLY A 56 0.317 8.557 -12.255 1.00 2.49 C ATOM 612 C GLY A 56 1.190 8.355 -13.478 1.00 2.55 C ATOM 613 O GLY A 56 1.254 9.220 -14.350 1.00 2.74 O ATOM 0 H GLY A 56 0.414 7.167 -10.694 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.657 8.101 -12.432 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.148 9.624 -12.109 1.00 2.49 H new ATOM 617 N VAL A 57 1.860 7.217 -13.552 1.00 2.42 N ATOM 618 CA VAL A 57 2.728 6.923 -14.684 1.00 2.52 C ATOM 619 C VAL A 57 2.452 5.524 -15.226 1.00 2.44 C ATOM 620 O VAL A 57 2.030 4.639 -14.482 1.00 2.26 O ATOM 621 CB VAL A 57 4.225 7.038 -14.311 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.633 8.494 -14.148 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.530 6.256 -13.044 1.00 2.31 C ATOM 0 H VAL A 57 1.821 6.483 -12.845 1.00 2.42 H new ATOM 0 HA VAL A 57 2.507 7.665 -15.451 1.00 2.52 H new ATOM 0 HB VAL A 57 4.806 6.608 -15.127 1.00 2.52 H new ATOM 0 HG11 VAL A 57 5.690 8.549 -13.886 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.463 9.026 -15.084 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.039 8.952 -13.357 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.589 6.353 -12.803 1.00 2.31 H new ATOM 0 HG22 VAL A 57 3.933 6.649 -12.221 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.287 5.205 -13.198 1.00 2.31 H new ATOM 633 N PRO A 58 2.656 5.315 -16.535 1.00 2.60 N ATOM 634 CA PRO A 58 2.438 4.012 -17.167 1.00 2.59 C ATOM 635 C PRO A 58 3.424 2.966 -16.654 1.00 2.43 C ATOM 636 O PRO A 58 4.507 3.304 -16.175 1.00 2.41 O ATOM 637 CB PRO A 58 2.675 4.283 -18.654 1.00 2.86 C ATOM 638 CG PRO A 58 3.521 5.506 -18.689 1.00 2.93 C ATOM 639 CD PRO A 58 3.105 6.329 -17.505 1.00 2.84 C ATOM 0 HA PRO A 58 1.446 3.614 -16.954 1.00 2.59 H new ATOM 0 HB2 PRO A 58 3.176 3.442 -19.134 1.00 2.86 H new ATOM 0 HB3 PRO A 58 1.734 4.438 -19.182 1.00 2.86 H new ATOM 0 HG2 PRO A 58 4.579 5.250 -18.634 1.00 2.93 H new ATOM 0 HG3 PRO A 58 3.374 6.056 -19.618 1.00 2.93 H new ATOM 0 HD2 PRO A 58 3.933 6.921 -17.115 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.306 7.026 -17.759 1.00 2.84 H new ATOM 647 N MET A 59 3.056 1.701 -16.760 1.00 2.35 N ATOM 648 CA MET A 59 3.921 0.625 -16.299 1.00 2.23 C ATOM 649 C MET A 59 5.144 0.499 -17.205 1.00 2.37 C ATOM 650 O MET A 59 5.095 0.880 -18.375 1.00 2.52 O ATOM 651 CB MET A 59 3.152 -0.697 -16.262 1.00 2.17 C ATOM 652 CG MET A 59 3.834 -1.775 -15.438 1.00 2.10 C ATOM 653 SD MET A 59 2.933 -3.334 -15.457 1.00 1.99 S ATOM 654 CE MET A 59 3.913 -4.306 -14.314 1.00 1.73 C ATOM 0 H MET A 59 2.169 1.393 -17.159 1.00 2.35 H new ATOM 0 HA MET A 59 4.258 0.861 -15.290 1.00 2.23 H new ATOM 0 HB2 MET A 59 2.156 -0.517 -15.857 1.00 2.17 H new ATOM 0 HB3 MET A 59 3.020 -1.060 -17.281 1.00 2.17 H new ATOM 0 HG2 MET A 59 4.842 -1.937 -15.821 1.00 2.10 H new ATOM 0 HG3 MET A 59 3.936 -1.431 -14.409 1.00 2.10 H new ATOM 0 HE1 MET A 59 3.786 -5.366 -14.536 1.00 1.73 H new ATOM 0 HE2 MET A 59 4.964 -4.037 -14.416 1.00 1.73 H new ATOM 0 HE3 MET A 59 3.585 -4.107 -13.294 1.00 1.73 H new ATOM 664 N ASN A 60 6.240 -0.008 -16.633 1.00 2.55 N ATOM 665 CA ASN A 60 7.509 -0.212 -17.345 1.00 2.74 C ATOM 666 C ASN A 60 8.299 1.086 -17.493 1.00 2.80 C ATOM 667 O ASN A 60 9.387 1.092 -18.066 1.00 2.93 O ATOM 668 CB ASN A 60 7.301 -0.866 -18.719 1.00 3.07 C ATOM 669 CG ASN A 60 7.266 -2.379 -18.644 1.00 3.37 C ATOM 670 OD1 ASN A 60 6.196 -2.991 -18.613 1.00 3.65 O ATOM 671 ND2 ASN A 60 8.436 -2.991 -18.614 1.00 3.50 N ATOM 0 H ASN A 60 6.274 -0.292 -15.654 1.00 2.55 H new ATOM 0 HA ASN A 60 8.094 -0.896 -16.730 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.368 -0.506 -19.151 1.00 3.07 H new ATOM 0 HB3 ASN A 60 8.103 -0.557 -19.389 1.00 3.07 H new ATOM 0 HD21 ASN A 60 8.478 -4.009 -18.563 1.00 3.50 H new ATOM 0 HD22 ASN A 60 9.298 -2.446 -18.642 1.00 3.50 H new ATOM 678 N SER A 61 7.758 2.186 -16.984 1.00 2.74 N ATOM 679 CA SER A 61 8.456 3.462 -17.048 1.00 2.82 C ATOM 680 C SER A 61 9.438 3.553 -15.886 1.00 2.72 C ATOM 681 O SER A 61 10.445 4.262 -15.944 1.00 2.87 O ATOM 682 CB SER A 61 7.463 4.624 -16.997 1.00 2.82 C ATOM 683 OG SER A 61 6.711 4.596 -15.797 1.00 2.71 O ATOM 0 H SER A 61 6.847 2.220 -16.527 1.00 2.74 H new ATOM 0 HA SER A 61 9.000 3.526 -17.991 1.00 2.82 H new ATOM 0 HB2 SER A 61 8.000 5.570 -17.072 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.791 4.570 -17.853 1.00 2.82 H new ATOM 0 HG SER A 61 6.058 3.866 -15.837 1.00 2.71 H new ATOM 689 N LEU A 62 9.131 2.804 -14.835 1.00 2.52 N ATOM 690 CA LEU A 62 9.955 2.764 -13.644 1.00 2.44 C ATOM 691 C LEU A 62 10.432 1.339 -13.393 1.00 2.42 C ATOM 692 O LEU A 62 9.713 0.377 -13.669 1.00 2.36 O ATOM 693 CB LEU A 62 9.168 3.256 -12.423 1.00 2.21 C ATOM 694 CG LEU A 62 8.470 4.612 -12.583 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.583 4.899 -11.383 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.490 5.727 -12.769 1.00 2.43 C ATOM 0 H LEU A 62 8.304 2.209 -14.789 1.00 2.52 H new ATOM 0 HA LEU A 62 10.813 3.419 -13.799 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.415 2.508 -12.174 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.850 3.317 -11.575 1.00 2.21 H new ATOM 0 HG LEU A 62 7.845 4.569 -13.475 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.096 5.865 -11.514 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.826 4.120 -11.295 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.190 4.918 -10.478 1.00 2.10 H new ATOM 0 HD21 LEU A 62 8.972 6.679 -12.880 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.145 5.770 -11.899 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.085 5.531 -13.661 1.00 2.43 H new ATOM 708 N ARG A 63 11.639 1.215 -12.878 1.00 2.50 N ATOM 709 CA ARG A 63 12.212 -0.085 -12.575 1.00 2.52 C ATOM 710 C ARG A 63 12.354 -0.247 -11.068 1.00 2.38 C ATOM 711 O ARG A 63 12.735 0.692 -10.365 1.00 2.41 O ATOM 712 CB ARG A 63 13.574 -0.257 -13.256 1.00 2.78 C ATOM 713 CG ARG A 63 14.575 0.830 -12.908 1.00 2.88 C ATOM 714 CD ARG A 63 15.971 0.491 -13.403 1.00 3.08 C ATOM 715 NE ARG A 63 16.899 1.600 -13.196 1.00 3.22 N ATOM 716 CZ ARG A 63 17.162 2.528 -14.113 1.00 3.35 C ATOM 717 NH1 ARG A 63 16.639 2.431 -15.329 1.00 3.39 N ATOM 718 NH2 ARG A 63 17.971 3.542 -13.827 1.00 3.47 N ATOM 0 H ARG A 63 12.247 2.004 -12.659 1.00 2.50 H new ATOM 0 HA ARG A 63 11.543 -0.855 -12.959 1.00 2.52 H new ATOM 0 HB2 ARG A 63 13.990 -1.225 -12.976 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.430 -0.273 -14.336 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.253 1.774 -13.347 1.00 2.88 H new ATOM 0 HG3 ARG A 63 14.597 0.972 -11.827 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.338 -0.393 -12.882 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.931 0.242 -14.463 1.00 3.08 H new ATOM 0 HE ARG A 63 17.373 1.667 -12.296 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.034 1.644 -15.563 1.00 3.39 H new ATOM 0 HH12 ARG A 63 16.842 3.144 -16.030 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.394 3.612 -12.901 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.170 4.251 -14.533 1.00 3.47 H new ATOM 732 N PHE A 64 12.036 -1.430 -10.580 1.00 2.24 N ATOM 733 CA PHE A 64 12.125 -1.714 -9.159 1.00 2.11 C ATOM 734 C PHE A 64 13.316 -2.619 -8.897 1.00 2.29 C ATOM 735 O PHE A 64 13.460 -3.656 -9.539 1.00 2.40 O ATOM 736 CB PHE A 64 10.828 -2.361 -8.665 1.00 1.87 C ATOM 737 CG PHE A 64 9.631 -1.452 -8.768 1.00 1.69 C ATOM 738 CD1 PHE A 64 9.031 -1.207 -9.995 1.00 1.73 C ATOM 739 CD2 PHE A 64 9.113 -0.839 -7.638 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.939 -0.368 -10.093 1.00 1.64 C ATOM 741 CE2 PHE A 64 8.019 0.000 -7.731 1.00 1.43 C ATOM 742 CZ PHE A 64 7.432 0.234 -8.959 1.00 1.49 C ATOM 0 H PHE A 64 11.713 -2.213 -11.148 1.00 2.24 H new ATOM 0 HA PHE A 64 12.265 -0.782 -8.611 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.639 -3.266 -9.242 1.00 1.87 H new ATOM 0 HB3 PHE A 64 10.955 -2.666 -7.626 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.423 -1.678 -10.884 1.00 1.73 H new ATOM 0 HD2 PHE A 64 9.569 -1.019 -6.676 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.483 -0.183 -11.054 1.00 1.64 H new ATOM 0 HE2 PHE A 64 7.623 0.472 -6.844 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.576 0.888 -9.032 1.00 1.49 H new ATOM 752 N LEU A 65 14.168 -2.227 -7.965 1.00 2.35 N ATOM 753 CA LEU A 65 15.360 -3.004 -7.656 1.00 2.54 C ATOM 754 C LEU A 65 15.337 -3.544 -6.234 1.00 2.45 C ATOM 755 O LEU A 65 15.024 -2.825 -5.282 1.00 2.29 O ATOM 756 CB LEU A 65 16.624 -2.161 -7.850 1.00 2.77 C ATOM 757 CG LEU A 65 17.101 -2.003 -9.295 1.00 2.97 C ATOM 758 CD1 LEU A 65 16.307 -0.922 -10.011 1.00 3.16 C ATOM 759 CD2 LEU A 65 18.589 -1.686 -9.331 1.00 3.20 C ATOM 0 H LEU A 65 14.059 -1.378 -7.410 1.00 2.35 H new ATOM 0 HA LEU A 65 15.370 -3.848 -8.346 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.444 -1.169 -7.436 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.430 -2.608 -7.268 1.00 2.77 H new ATOM 0 HG LEU A 65 16.935 -2.946 -9.815 1.00 2.97 H new ATOM 0 HD11 LEU A 65 16.664 -0.828 -11.037 1.00 3.16 H new ATOM 0 HD12 LEU A 65 15.251 -1.191 -10.018 1.00 3.16 H new ATOM 0 HD13 LEU A 65 16.437 0.028 -9.493 1.00 3.16 H new ATOM 0 HD21 LEU A 65 18.913 -1.577 -10.366 1.00 3.20 H new ATOM 0 HD22 LEU A 65 18.776 -0.757 -8.792 1.00 3.20 H new ATOM 0 HD23 LEU A 65 19.145 -2.497 -8.861 1.00 3.20 H new ATOM 771 N PHE A 66 15.682 -4.813 -6.105 1.00 2.57 N ATOM 772 CA PHE A 66 15.740 -5.473 -4.817 1.00 2.54 C ATOM 773 C PHE A 66 17.082 -6.178 -4.681 1.00 2.84 C ATOM 774 O PHE A 66 17.395 -7.089 -5.455 1.00 2.97 O ATOM 775 CB PHE A 66 14.593 -6.475 -4.665 1.00 2.37 C ATOM 776 CG PHE A 66 14.647 -7.262 -3.386 1.00 2.35 C ATOM 777 CD1 PHE A 66 14.466 -6.634 -2.167 1.00 2.20 C ATOM 778 CD2 PHE A 66 14.888 -8.628 -3.403 1.00 2.54 C ATOM 779 CE1 PHE A 66 14.519 -7.350 -0.989 1.00 2.24 C ATOM 780 CE2 PHE A 66 14.942 -9.348 -2.227 1.00 2.56 C ATOM 781 CZ PHE A 66 14.760 -8.709 -1.018 1.00 2.42 C ATOM 0 H PHE A 66 15.929 -5.413 -6.892 1.00 2.57 H new ATOM 0 HA PHE A 66 15.636 -4.728 -4.028 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.645 -5.939 -4.712 1.00 2.37 H new ATOM 0 HB3 PHE A 66 14.611 -7.166 -5.508 1.00 2.37 H new ATOM 0 HD1 PHE A 66 14.281 -5.570 -2.137 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.035 -9.133 -4.346 1.00 2.54 H new ATOM 0 HE1 PHE A 66 14.372 -6.848 -0.044 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.127 -10.412 -2.253 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.806 -9.270 -0.097 1.00 2.42 H new ATOM 791 N GLU A 67 17.882 -5.721 -3.721 1.00 2.95 N ATOM 792 CA GLU A 67 19.202 -6.287 -3.457 1.00 3.25 C ATOM 793 C GLU A 67 20.130 -6.122 -4.660 1.00 3.44 C ATOM 794 O GLU A 67 21.068 -6.901 -4.850 1.00 3.64 O ATOM 795 CB GLU A 67 19.090 -7.764 -3.064 1.00 3.32 C ATOM 796 CG GLU A 67 18.352 -7.983 -1.755 1.00 3.20 C ATOM 797 CD GLU A 67 18.997 -9.057 -0.907 1.00 3.33 C ATOM 798 OE1 GLU A 67 20.129 -8.835 -0.430 1.00 3.62 O ATOM 799 OE2 GLU A 67 18.378 -10.125 -0.708 1.00 3.33 O ATOM 0 H GLU A 67 17.633 -4.948 -3.104 1.00 2.95 H new ATOM 0 HA GLU A 67 19.636 -5.737 -2.622 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.576 -8.306 -3.858 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.091 -8.188 -2.984 1.00 3.32 H new ATOM 0 HG2 GLU A 67 18.324 -7.048 -1.195 1.00 3.20 H new ATOM 0 HG3 GLU A 67 17.319 -8.260 -1.965 1.00 3.20 H new ATOM 806 N GLY A 68 19.866 -5.103 -5.470 1.00 3.41 N ATOM 807 CA GLY A 68 20.697 -4.835 -6.628 1.00 3.61 C ATOM 808 C GLY A 68 20.120 -5.375 -7.922 1.00 3.59 C ATOM 809 O GLY A 68 20.487 -4.916 -9.007 1.00 3.75 O ATOM 0 H GLY A 68 19.088 -4.456 -5.344 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.838 -3.758 -6.723 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.682 -5.273 -6.468 1.00 3.61 H new ATOM 813 N GLN A 69 19.222 -6.342 -7.821 1.00 3.41 N ATOM 814 CA GLN A 69 18.614 -6.940 -9.004 1.00 3.39 C ATOM 815 C GLN A 69 17.235 -6.350 -9.254 1.00 3.13 C ATOM 816 O GLN A 69 16.469 -6.135 -8.317 1.00 2.88 O ATOM 817 CB GLN A 69 18.504 -8.459 -8.847 1.00 3.42 C ATOM 818 CG GLN A 69 19.817 -9.144 -8.492 1.00 3.76 C ATOM 819 CD GLN A 69 20.918 -8.881 -9.500 1.00 4.25 C ATOM 820 OE1 GLN A 69 20.661 -8.632 -10.679 1.00 4.42 O ATOM 821 NE2 GLN A 69 22.156 -8.939 -9.043 1.00 4.67 N ATOM 0 H GLN A 69 18.897 -6.730 -6.936 1.00 3.41 H new ATOM 0 HA GLN A 69 19.254 -6.719 -9.858 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.770 -8.681 -8.073 1.00 3.42 H new ATOM 0 HB3 GLN A 69 18.125 -8.883 -9.777 1.00 3.42 H new ATOM 0 HG2 GLN A 69 20.143 -8.803 -7.510 1.00 3.76 H new ATOM 0 HG3 GLN A 69 19.650 -10.219 -8.417 1.00 3.76 H new ATOM 0 HE21 GLN A 69 22.327 -9.148 -8.059 1.00 4.67 H new ATOM 0 HE22 GLN A 69 22.941 -8.775 -9.674 1.00 4.67 H new ATOM 830 N ARG A 70 16.921 -6.081 -10.513 1.00 3.20 N ATOM 831 CA ARG A 70 15.621 -5.517 -10.850 1.00 2.98 C ATOM 832 C ARG A 70 14.537 -6.589 -10.770 1.00 2.82 C ATOM 833 O ARG A 70 14.718 -7.719 -11.228 1.00 2.96 O ATOM 834 CB ARG A 70 15.634 -4.845 -12.228 1.00 3.12 C ATOM 835 CG ARG A 70 16.186 -5.710 -13.349 1.00 3.34 C ATOM 836 CD ARG A 70 16.476 -4.882 -14.593 1.00 3.51 C ATOM 837 NE ARG A 70 15.251 -4.378 -15.221 1.00 3.29 N ATOM 838 CZ ARG A 70 15.126 -3.159 -15.755 1.00 3.31 C ATOM 839 NH1 ARG A 70 16.126 -2.283 -15.690 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.991 -2.813 -16.347 1.00 3.17 N ATOM 0 H ARG A 70 17.539 -6.241 -11.309 1.00 3.20 H new ATOM 0 HA ARG A 70 15.394 -4.742 -10.118 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.616 -4.549 -12.483 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.226 -3.932 -12.167 1.00 3.12 H new ATOM 0 HG2 ARG A 70 17.100 -6.202 -13.016 1.00 3.34 H new ATOM 0 HG3 ARG A 70 15.471 -6.496 -13.591 1.00 3.34 H new ATOM 0 HD2 ARG A 70 17.118 -4.042 -14.327 1.00 3.51 H new ATOM 0 HD3 ARG A 70 17.027 -5.489 -15.311 1.00 3.51 H new ATOM 0 HE ARG A 70 14.441 -4.998 -15.253 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.999 -2.539 -15.229 1.00 3.55 H new ATOM 0 HH12 ARG A 70 16.019 -1.356 -16.101 1.00 3.55 H new ATOM 0 HH21 ARG A 70 13.217 -3.476 -16.394 1.00 3.17 H new ATOM 0 HH22 ARG A 70 13.892 -1.884 -16.756 1.00 3.17 H new ATOM 854 N ILE A 71 13.418 -6.219 -10.167 1.00 2.55 N ATOM 855 CA ILE A 71 12.289 -7.118 -9.979 1.00 2.38 C ATOM 856 C ILE A 71 11.575 -7.416 -11.294 1.00 2.44 C ATOM 857 O ILE A 71 11.174 -6.504 -12.023 1.00 2.40 O ATOM 858 CB ILE A 71 11.276 -6.518 -8.976 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.901 -6.415 -7.580 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.994 -7.339 -8.927 1.00 1.92 C ATOM 861 CD1 ILE A 71 12.330 -7.747 -7.001 1.00 2.17 C ATOM 0 H ILE A 71 13.266 -5.282 -9.792 1.00 2.55 H new ATOM 0 HA ILE A 71 12.689 -8.052 -9.584 1.00 2.38 H new ATOM 0 HB ILE A 71 11.018 -5.516 -9.319 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.767 -5.755 -7.628 1.00 2.04 H new ATOM 0 HG13 ILE A 71 11.183 -5.950 -6.904 1.00 2.04 H new ATOM 0 HG21 ILE A 71 9.302 -6.892 -8.213 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.535 -7.356 -9.915 1.00 1.92 H new ATOM 0 HG23 ILE A 71 10.226 -8.358 -8.617 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.762 -7.592 -6.013 1.00 2.17 H new ATOM 0 HD12 ILE A 71 11.464 -8.404 -6.919 1.00 2.17 H new ATOM 0 HD13 ILE A 71 13.073 -8.205 -7.654 1.00 2.17 H new ATOM 873 N ALA A 72 11.424 -8.699 -11.587 1.00 2.56 N ATOM 874 CA ALA A 72 10.744 -9.135 -12.792 1.00 2.64 C ATOM 875 C ALA A 72 9.265 -9.352 -12.498 1.00 2.42 C ATOM 876 O ALA A 72 8.870 -9.491 -11.340 1.00 2.27 O ATOM 877 CB ALA A 72 11.386 -10.403 -13.325 1.00 2.89 C ATOM 0 H ALA A 72 11.767 -9.460 -11.000 1.00 2.56 H new ATOM 0 HA ALA A 72 10.834 -8.364 -13.557 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.867 -10.721 -14.229 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.434 -10.211 -13.556 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.318 -11.189 -12.573 1.00 2.89 H new ATOM 883 N ASP A 73 8.454 -9.402 -13.543 1.00 2.44 N ATOM 884 CA ASP A 73 7.012 -9.576 -13.390 1.00 2.28 C ATOM 885 C ASP A 73 6.665 -10.999 -12.975 1.00 2.31 C ATOM 886 O ASP A 73 5.622 -11.243 -12.365 1.00 2.17 O ATOM 887 CB ASP A 73 6.291 -9.213 -14.690 1.00 2.32 C ATOM 888 CG ASP A 73 6.174 -7.712 -14.883 1.00 2.24 C ATOM 889 OD1 ASP A 73 7.078 -6.975 -14.436 1.00 2.32 O ATOM 890 OD2 ASP A 73 5.183 -7.261 -15.493 1.00 2.18 O ATOM 0 H ASP A 73 8.768 -9.325 -14.510 1.00 2.44 H new ATOM 0 HA ASP A 73 6.678 -8.905 -12.599 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.829 -9.645 -15.534 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.295 -9.656 -14.686 1.00 2.32 H new ATOM 895 N ASN A 74 7.538 -11.938 -13.301 1.00 2.53 N ATOM 896 CA ASN A 74 7.314 -13.334 -12.945 1.00 2.61 C ATOM 897 C ASN A 74 7.870 -13.634 -11.553 1.00 2.56 C ATOM 898 O ASN A 74 7.824 -14.771 -11.087 1.00 2.62 O ATOM 899 CB ASN A 74 7.945 -14.280 -13.977 1.00 2.89 C ATOM 900 CG ASN A 74 9.462 -14.323 -13.899 1.00 3.10 C ATOM 901 OD1 ASN A 74 10.117 -13.295 -13.735 1.00 3.20 O ATOM 902 ND2 ASN A 74 10.031 -15.514 -14.008 1.00 3.29 N ATOM 0 H ASN A 74 8.405 -11.763 -13.809 1.00 2.53 H new ATOM 0 HA ASN A 74 6.237 -13.502 -12.938 1.00 2.61 H new ATOM 0 HB2 ASN A 74 7.551 -15.285 -13.828 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.648 -13.966 -14.978 1.00 2.89 H new ATOM 0 HD21 ASN A 74 11.046 -15.601 -13.957 1.00 3.29 H new ATOM 0 HD22 ASN A 74 9.454 -16.344 -14.143 1.00 3.29 H new ATOM 909 N HIS A 75 8.376 -12.606 -10.888 1.00 2.48 N ATOM 910 CA HIS A 75 8.939 -12.766 -9.554 1.00 2.46 C ATOM 911 C HIS A 75 7.856 -12.652 -8.486 1.00 2.21 C ATOM 912 O HIS A 75 6.834 -11.993 -8.686 1.00 2.00 O ATOM 913 CB HIS A 75 10.034 -11.725 -9.301 1.00 2.47 C ATOM 914 CG HIS A 75 11.369 -12.102 -9.872 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.568 -11.588 -9.430 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.682 -12.961 -10.876 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.548 -12.137 -10.161 1.00 3.27 C ATOM 918 NE2 HIS A 75 13.063 -12.979 -11.052 1.00 3.17 N ATOM 0 H HIS A 75 8.409 -11.653 -11.249 1.00 2.48 H new ATOM 0 HA HIS A 75 9.379 -13.762 -9.496 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.722 -10.772 -9.728 1.00 2.47 H new ATOM 0 HB3 HIS A 75 10.138 -11.574 -8.227 1.00 2.47 H new ATOM 0 HD2 HIS A 75 10.971 -13.539 -11.448 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.598 -11.918 -10.036 1.00 3.27 H new ATOM 0 HE2 HIS A 75 13.590 -13.530 -11.730 1.00 3.17 H new ATOM 926 N THR A 76 8.088 -13.312 -7.364 1.00 2.27 N ATOM 927 CA THR A 76 7.160 -13.307 -6.245 1.00 2.09 C ATOM 928 C THR A 76 7.907 -12.969 -4.954 1.00 2.05 C ATOM 929 O THR A 76 9.129 -13.080 -4.904 1.00 2.19 O ATOM 930 CB THR A 76 6.491 -14.685 -6.085 1.00 2.22 C ATOM 931 OG1 THR A 76 7.487 -15.719 -6.116 1.00 2.32 O ATOM 932 CG2 THR A 76 5.465 -14.931 -7.179 1.00 2.53 C ATOM 0 H THR A 76 8.928 -13.868 -7.203 1.00 2.27 H new ATOM 0 HA THR A 76 6.394 -12.557 -6.442 1.00 2.09 H new ATOM 0 HB THR A 76 5.976 -14.700 -5.124 1.00 2.22 H new ATOM 0 HG1 THR A 76 7.910 -15.740 -7.000 1.00 2.32 H new ATOM 0 HG21 THR A 76 5.011 -15.912 -7.038 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.693 -14.163 -7.133 1.00 2.53 H new ATOM 0 HG23 THR A 76 5.955 -14.895 -8.152 1.00 2.53 H new ATOM 940 N PRO A 77 7.194 -12.553 -3.892 1.00 1.92 N ATOM 941 CA PRO A 77 7.818 -12.229 -2.605 1.00 1.92 C ATOM 942 C PRO A 77 8.361 -13.477 -1.908 1.00 2.13 C ATOM 943 O PRO A 77 9.117 -13.388 -0.939 1.00 2.21 O ATOM 944 CB PRO A 77 6.673 -11.614 -1.782 1.00 1.76 C ATOM 945 CG PRO A 77 5.594 -11.315 -2.769 1.00 1.66 C ATOM 946 CD PRO A 77 5.743 -12.330 -3.859 1.00 1.81 C ATOM 0 HA PRO A 77 8.671 -11.561 -2.724 1.00 1.92 H new ATOM 0 HB2 PRO A 77 6.324 -12.306 -1.016 1.00 1.76 H new ATOM 0 HB3 PRO A 77 6.999 -10.709 -1.270 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.610 -11.382 -2.305 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.693 -10.303 -3.161 1.00 1.66 H new ATOM 0 HD2 PRO A 77 5.197 -13.247 -3.637 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.368 -11.959 -4.813 1.00 1.81 H new ATOM 954 N LYS A 78 7.956 -14.642 -2.409 1.00 2.23 N ATOM 955 CA LYS A 78 8.391 -15.916 -1.857 1.00 2.44 C ATOM 956 C LYS A 78 9.843 -16.197 -2.244 1.00 2.61 C ATOM 957 O LYS A 78 10.604 -16.778 -1.468 1.00 2.76 O ATOM 958 CB LYS A 78 7.472 -17.044 -2.349 1.00 2.48 C ATOM 959 CG LYS A 78 7.916 -18.441 -1.939 1.00 2.66 C ATOM 960 CD LYS A 78 7.901 -18.625 -0.427 1.00 2.76 C ATOM 961 CE LYS A 78 6.484 -18.716 0.122 1.00 2.73 C ATOM 962 NZ LYS A 78 6.475 -19.003 1.582 1.00 2.92 N ATOM 0 H LYS A 78 7.322 -14.726 -3.203 1.00 2.23 H new ATOM 0 HA LYS A 78 8.331 -15.867 -0.770 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.466 -16.869 -1.967 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.413 -16.999 -3.436 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.260 -19.180 -2.400 1.00 2.66 H new ATOM 0 HG3 LYS A 78 8.921 -18.627 -2.317 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.450 -19.530 -0.166 1.00 2.76 H new ATOM 0 HD3 LYS A 78 8.420 -17.791 0.045 1.00 2.76 H new ATOM 0 HE2 LYS A 78 5.960 -17.779 -0.068 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.939 -19.499 -0.406 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 5.493 -19.058 1.919 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.953 -19.909 1.761 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 6.973 -18.243 2.088 1.00 2.92 H new ATOM 976 N GLU A 79 10.225 -15.772 -3.440 1.00 2.62 N ATOM 977 CA GLU A 79 11.583 -15.970 -3.916 1.00 2.81 C ATOM 978 C GLU A 79 12.430 -14.757 -3.551 1.00 2.76 C ATOM 979 O GLU A 79 11.912 -13.798 -2.972 1.00 2.60 O ATOM 980 CB GLU A 79 11.598 -16.218 -5.428 1.00 2.89 C ATOM 981 CG GLU A 79 11.114 -15.040 -6.255 1.00 2.73 C ATOM 982 CD GLU A 79 10.687 -15.437 -7.650 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.560 -15.621 -8.520 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.468 -15.564 -7.886 1.00 2.70 O ATOM 0 H GLU A 79 9.613 -15.288 -4.097 1.00 2.62 H new ATOM 0 HA GLU A 79 12.006 -16.852 -3.436 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.613 -16.470 -5.734 1.00 2.89 H new ATOM 0 HB3 GLU A 79 10.974 -17.084 -5.649 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.276 -14.565 -5.745 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.909 -14.298 -6.321 1.00 2.73 H new ATOM 991 N LEU A 80 13.730 -14.823 -3.847 1.00 2.91 N ATOM 992 CA LEU A 80 14.676 -13.733 -3.559 1.00 2.90 C ATOM 993 C LEU A 80 14.966 -13.611 -2.059 1.00 2.89 C ATOM 994 O LEU A 80 16.049 -13.177 -1.666 1.00 3.04 O ATOM 995 CB LEU A 80 14.163 -12.389 -4.095 1.00 2.74 C ATOM 996 CG LEU A 80 13.929 -12.330 -5.603 1.00 2.80 C ATOM 997 CD1 LEU A 80 13.006 -11.177 -5.944 1.00 2.70 C ATOM 998 CD2 LEU A 80 15.246 -12.194 -6.343 1.00 2.94 C ATOM 0 H LEU A 80 14.161 -15.633 -4.294 1.00 2.91 H new ATOM 0 HA LEU A 80 15.605 -13.986 -4.071 1.00 2.90 H new ATOM 0 HB2 LEU A 80 13.227 -12.149 -3.590 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.879 -11.613 -3.825 1.00 2.74 H new ATOM 0 HG LEU A 80 13.456 -13.260 -5.918 1.00 2.80 H new ATOM 0 HD11 LEU A 80 12.847 -11.145 -7.022 1.00 2.70 H new ATOM 0 HD12 LEU A 80 12.050 -11.315 -5.440 1.00 2.70 H new ATOM 0 HD13 LEU A 80 13.457 -10.241 -5.616 1.00 2.70 H new ATOM 0 HD21 LEU A 80 15.058 -12.154 -7.416 1.00 2.94 H new ATOM 0 HD22 LEU A 80 15.748 -11.279 -6.028 1.00 2.94 H new ATOM 0 HD23 LEU A 80 15.880 -13.051 -6.118 1.00 2.94 H new ATOM 1010 N GLY A 81 13.992 -13.973 -1.231 1.00 2.76 N ATOM 1011 CA GLY A 81 14.170 -13.904 0.205 1.00 2.76 C ATOM 1012 C GLY A 81 13.624 -12.616 0.788 1.00 2.56 C ATOM 1013 O GLY A 81 14.205 -12.057 1.715 1.00 2.57 O ATOM 0 H GLY A 81 13.079 -14.314 -1.532 1.00 2.76 H new ATOM 0 HA2 GLY A 81 13.671 -14.753 0.673 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.231 -13.988 0.442 1.00 2.76 H new ATOM 1017 N MET A 82 12.511 -12.142 0.241 1.00 2.41 N ATOM 1018 CA MET A 82 11.889 -10.909 0.718 1.00 2.23 C ATOM 1019 C MET A 82 11.212 -11.159 2.057 1.00 2.23 C ATOM 1020 O MET A 82 10.461 -12.125 2.205 1.00 2.28 O ATOM 1021 CB MET A 82 10.865 -10.391 -0.295 1.00 2.05 C ATOM 1022 CG MET A 82 11.442 -10.172 -1.685 1.00 2.27 C ATOM 1023 SD MET A 82 10.404 -9.116 -2.716 1.00 2.05 S ATOM 1024 CE MET A 82 10.678 -7.519 -1.951 1.00 2.01 C ATOM 0 H MET A 82 12.020 -12.591 -0.532 1.00 2.41 H new ATOM 0 HA MET A 82 12.665 -10.154 0.840 1.00 2.23 H new ATOM 0 HB2 MET A 82 10.040 -11.100 -0.361 1.00 2.05 H new ATOM 0 HB3 MET A 82 10.449 -9.451 0.069 1.00 2.05 H new ATOM 0 HG2 MET A 82 12.432 -9.725 -1.596 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.571 -11.137 -2.176 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.725 -7.104 -1.623 1.00 2.01 H new ATOM 0 HE2 MET A 82 11.338 -7.636 -1.091 1.00 2.01 H new ATOM 0 HE3 MET A 82 11.138 -6.844 -2.673 1.00 2.01 H new ATOM 1034 N GLU A 83 11.472 -10.294 3.027 1.00 2.20 N ATOM 1035 CA GLU A 83 10.892 -10.447 4.359 1.00 2.22 C ATOM 1036 C GLU A 83 10.147 -9.184 4.789 1.00 2.07 C ATOM 1037 O GLU A 83 9.909 -8.288 3.980 1.00 1.91 O ATOM 1038 CB GLU A 83 11.988 -10.787 5.370 1.00 2.42 C ATOM 1039 CG GLU A 83 12.794 -12.020 5.001 1.00 2.73 C ATOM 1040 CD GLU A 83 13.882 -12.332 6.002 1.00 2.98 C ATOM 1041 OE1 GLU A 83 14.524 -11.381 6.499 1.00 2.89 O ATOM 1042 OE2 GLU A 83 14.090 -13.524 6.310 1.00 3.44 O ATOM 0 H GLU A 83 12.078 -9.481 2.920 1.00 2.20 H new ATOM 0 HA GLU A 83 10.171 -11.264 4.324 1.00 2.22 H new ATOM 0 HB2 GLU A 83 12.663 -9.936 5.462 1.00 2.42 H new ATOM 0 HB3 GLU A 83 11.533 -10.940 6.349 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.124 -12.876 4.922 1.00 2.73 H new ATOM 0 HG3 GLU A 83 13.242 -11.874 4.018 1.00 2.73 H new ATOM 1049 N GLU A 84 9.777 -9.132 6.064 1.00 2.15 N ATOM 1050 CA GLU A 84 9.055 -7.992 6.625 1.00 2.07 C ATOM 1051 C GLU A 84 9.972 -6.776 6.734 1.00 2.08 C ATOM 1052 O GLU A 84 11.161 -6.917 7.026 1.00 2.22 O ATOM 1053 CB GLU A 84 8.501 -8.364 8.004 1.00 2.20 C ATOM 1054 CG GLU A 84 7.676 -7.270 8.662 1.00 2.18 C ATOM 1055 CD GLU A 84 6.363 -7.010 7.958 1.00 2.10 C ATOM 1056 OE1 GLU A 84 5.390 -7.761 8.209 1.00 2.34 O ATOM 1057 OE2 GLU A 84 6.293 -6.046 7.167 1.00 2.01 O ATOM 0 H GLU A 84 9.967 -9.875 6.737 1.00 2.15 H new ATOM 0 HA GLU A 84 8.228 -7.736 5.962 1.00 2.07 H new ATOM 0 HB2 GLU A 84 7.885 -9.258 7.906 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.333 -8.620 8.660 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.477 -7.547 9.697 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.258 -6.349 8.684 1.00 2.18 H new ATOM 1064 N GLU A 85 9.411 -5.592 6.475 1.00 1.98 N ATOM 1065 CA GLU A 85 10.155 -4.333 6.541 1.00 2.01 C ATOM 1066 C GLU A 85 11.329 -4.333 5.565 1.00 2.02 C ATOM 1067 O GLU A 85 12.368 -3.723 5.831 1.00 2.18 O ATOM 1068 CB GLU A 85 10.665 -4.073 7.966 1.00 2.22 C ATOM 1069 CG GLU A 85 9.581 -3.645 8.942 1.00 2.32 C ATOM 1070 CD GLU A 85 8.942 -2.324 8.569 1.00 2.36 C ATOM 1071 OE1 GLU A 85 9.649 -1.435 8.048 1.00 2.55 O ATOM 1072 OE2 GLU A 85 7.729 -2.162 8.810 1.00 2.47 O ATOM 0 H GLU A 85 8.431 -5.480 6.214 1.00 1.98 H new ATOM 0 HA GLU A 85 9.469 -3.534 6.259 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.141 -4.979 8.342 1.00 2.22 H new ATOM 0 HB3 GLU A 85 11.433 -3.301 7.931 1.00 2.22 H new ATOM 0 HG2 GLU A 85 8.812 -4.416 8.984 1.00 2.32 H new ATOM 0 HG3 GLU A 85 10.009 -3.567 9.941 1.00 2.32 H new ATOM 1079 N ASP A 86 11.163 -5.015 4.439 1.00 1.90 N ATOM 1080 CA ASP A 86 12.219 -5.091 3.440 1.00 1.96 C ATOM 1081 C ASP A 86 12.303 -3.791 2.647 1.00 1.88 C ATOM 1082 O ASP A 86 11.433 -2.927 2.755 1.00 1.79 O ATOM 1083 CB ASP A 86 11.998 -6.274 2.499 1.00 1.93 C ATOM 1084 CG ASP A 86 13.289 -7.007 2.201 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.295 -6.336 1.871 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.309 -8.254 2.300 1.00 2.28 O ATOM 0 H ASP A 86 10.311 -5.521 4.196 1.00 1.90 H new ATOM 0 HA ASP A 86 13.164 -5.242 3.961 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.283 -6.965 2.946 1.00 1.93 H new ATOM 0 HB3 ASP A 86 11.558 -5.919 1.567 1.00 1.93 H new ATOM 1091 N VAL A 87 13.339 -3.661 1.834 1.00 1.97 N ATOM 1092 CA VAL A 87 13.546 -2.448 1.056 1.00 1.94 C ATOM 1093 C VAL A 87 13.507 -2.726 -0.444 1.00 1.94 C ATOM 1094 O VAL A 87 14.020 -3.741 -0.916 1.00 2.10 O ATOM 1095 CB VAL A 87 14.896 -1.785 1.413 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.045 -0.436 0.727 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.042 -1.640 2.921 1.00 2.19 C ATOM 0 H VAL A 87 14.050 -4.379 1.695 1.00 1.97 H new ATOM 0 HA VAL A 87 12.730 -1.770 1.308 1.00 1.94 H new ATOM 0 HB VAL A 87 15.693 -2.434 1.051 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.004 0.006 0.997 1.00 2.18 H new ATOM 0 HG12 VAL A 87 14.999 -0.570 -0.354 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.239 0.225 1.045 1.00 2.18 H new ATOM 0 HG21 VAL A 87 15.999 -1.171 3.150 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.233 -1.020 3.307 1.00 2.19 H new ATOM 0 HG23 VAL A 87 14.999 -2.624 3.387 1.00 2.19 H new ATOM 1107 N ILE A 88 12.892 -1.816 -1.182 1.00 1.78 N ATOM 1108 CA ILE A 88 12.791 -1.930 -2.626 1.00 1.80 C ATOM 1109 C ILE A 88 13.020 -0.555 -3.255 1.00 1.86 C ATOM 1110 O ILE A 88 12.403 0.428 -2.859 1.00 1.79 O ATOM 1111 CB ILE A 88 11.424 -2.526 -3.060 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.351 -2.674 -4.583 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.259 -1.684 -2.546 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.175 -3.506 -5.055 1.00 1.52 C ATOM 0 H ILE A 88 12.451 -0.981 -0.798 1.00 1.78 H new ATOM 0 HA ILE A 88 13.558 -2.619 -2.979 1.00 1.80 H new ATOM 0 HB ILE A 88 11.342 -3.517 -2.613 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.289 -1.683 -5.034 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.275 -3.129 -4.940 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.318 -2.130 -2.868 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.289 -1.647 -1.457 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.337 -0.673 -2.945 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.187 -3.568 -6.143 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.246 -4.509 -4.633 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.245 -3.040 -4.728 1.00 1.52 H new ATOM 1126 N GLU A 89 13.935 -0.483 -4.205 1.00 2.04 N ATOM 1127 CA GLU A 89 14.257 0.782 -4.850 1.00 2.14 C ATOM 1128 C GLU A 89 13.470 0.969 -6.138 1.00 2.11 C ATOM 1129 O GLU A 89 13.141 0.000 -6.817 1.00 2.11 O ATOM 1130 CB GLU A 89 15.752 0.853 -5.153 1.00 2.41 C ATOM 1131 CG GLU A 89 16.635 0.764 -3.920 1.00 2.43 C ATOM 1132 CD GLU A 89 18.109 0.844 -4.262 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.646 1.965 -4.344 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.737 -0.218 -4.462 1.00 2.87 O ATOM 0 H GLU A 89 14.468 -1.282 -4.548 1.00 2.04 H new ATOM 0 HA GLU A 89 13.982 1.581 -4.162 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.013 0.043 -5.834 1.00 2.41 H new ATOM 0 HB3 GLU A 89 15.963 1.788 -5.673 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.379 1.571 -3.233 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.435 -0.173 -3.399 1.00 2.43 H new ATOM 1141 N VAL A 90 13.176 2.216 -6.465 1.00 2.12 N ATOM 1142 CA VAL A 90 12.441 2.539 -7.678 1.00 2.12 C ATOM 1143 C VAL A 90 13.162 3.640 -8.456 1.00 2.32 C ATOM 1144 O VAL A 90 13.480 4.698 -7.913 1.00 2.36 O ATOM 1145 CB VAL A 90 10.980 2.960 -7.371 1.00 1.93 C ATOM 1146 CG1 VAL A 90 10.930 4.157 -6.429 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.220 3.257 -8.658 1.00 1.94 C ATOM 0 H VAL A 90 13.437 3.027 -5.904 1.00 2.12 H new ATOM 0 HA VAL A 90 12.400 1.638 -8.290 1.00 2.12 H new ATOM 0 HB VAL A 90 10.495 2.122 -6.870 1.00 1.93 H new ATOM 0 HG11 VAL A 90 9.891 4.425 -6.236 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.420 3.901 -5.489 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.443 5.002 -6.887 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.198 3.550 -8.418 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.714 4.068 -9.193 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.204 2.366 -9.285 1.00 1.94 H new ATOM 1157 N TYR A 91 13.447 3.374 -9.722 1.00 2.46 N ATOM 1158 CA TYR A 91 14.136 4.337 -10.572 1.00 2.66 C ATOM 1159 C TYR A 91 13.427 4.470 -11.909 1.00 2.72 C ATOM 1160 O TYR A 91 12.648 3.601 -12.287 1.00 2.67 O ATOM 1161 CB TYR A 91 15.591 3.912 -10.792 1.00 2.86 C ATOM 1162 CG TYR A 91 16.414 3.916 -9.525 1.00 2.85 C ATOM 1163 CD1 TYR A 91 16.962 5.094 -9.036 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.630 2.746 -8.808 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.703 5.105 -7.874 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.367 2.751 -7.642 1.00 2.84 C ATOM 1167 CZ TYR A 91 17.901 3.935 -7.179 1.00 2.89 C ATOM 1168 OH TYR A 91 18.629 3.954 -6.015 1.00 2.94 O ATOM 0 H TYR A 91 13.211 2.497 -10.186 1.00 2.46 H new ATOM 0 HA TYR A 91 14.124 5.305 -10.071 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.608 2.912 -11.225 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.052 4.582 -11.518 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.805 6.017 -9.575 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.214 1.817 -9.169 1.00 2.82 H new ATOM 0 HE1 TYR A 91 18.127 6.029 -7.510 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.525 1.833 -7.095 1.00 2.84 H new ATOM 0 HH TYR A 91 18.650 3.054 -5.627 1.00 2.94 H new ATOM 1178 N GLN A 92 13.701 5.551 -12.618 1.00 2.84 N ATOM 1179 CA GLN A 92 13.084 5.791 -13.913 1.00 2.93 C ATOM 1180 C GLN A 92 13.894 5.121 -15.017 1.00 3.14 C ATOM 1181 O GLN A 92 15.117 5.265 -15.079 1.00 3.31 O ATOM 1182 CB GLN A 92 12.975 7.298 -14.169 1.00 3.07 C ATOM 1183 CG GLN A 92 11.945 7.670 -15.223 1.00 3.13 C ATOM 1184 CD GLN A 92 11.831 9.170 -15.417 1.00 3.36 C ATOM 1185 OE1 GLN A 92 11.064 9.843 -14.729 1.00 3.44 O ATOM 1186 NE2 GLN A 92 12.591 9.706 -16.358 1.00 3.63 N ATOM 0 H GLN A 92 14.349 6.280 -12.318 1.00 2.84 H new ATOM 0 HA GLN A 92 12.082 5.362 -13.912 1.00 2.93 H new ATOM 0 HB2 GLN A 92 12.721 7.798 -13.234 1.00 3.07 H new ATOM 0 HB3 GLN A 92 13.950 7.676 -14.478 1.00 3.07 H new ATOM 0 HG2 GLN A 92 12.214 7.203 -16.171 1.00 3.13 H new ATOM 0 HG3 GLN A 92 10.973 7.269 -14.935 1.00 3.13 H new ATOM 0 HE21 GLN A 92 13.215 9.115 -16.908 1.00 3.63 H new ATOM 0 HE22 GLN A 92 12.553 10.710 -16.534 1.00 3.63 H new ATOM 1195 N GLU A 93 13.216 4.379 -15.880 1.00 3.15 N ATOM 1196 CA GLU A 93 13.879 3.698 -16.979 1.00 3.36 C ATOM 1197 C GLU A 93 14.236 4.693 -18.074 1.00 3.61 C ATOM 1198 O GLU A 93 13.459 5.600 -18.373 1.00 3.61 O ATOM 1199 CB GLU A 93 12.987 2.592 -17.546 1.00 3.31 C ATOM 1200 CG GLU A 93 12.949 1.340 -16.687 1.00 3.20 C ATOM 1201 CD GLU A 93 14.043 0.355 -17.041 1.00 3.30 C ATOM 1202 OE1 GLU A 93 15.169 0.492 -16.521 1.00 3.36 O ATOM 1203 OE2 GLU A 93 13.779 -0.574 -17.834 1.00 3.35 O ATOM 0 H GLU A 93 12.207 4.234 -15.839 1.00 3.15 H new ATOM 0 HA GLU A 93 14.794 3.244 -16.600 1.00 3.36 H new ATOM 0 HB2 GLU A 93 11.973 2.976 -17.658 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.340 2.328 -18.543 1.00 3.31 H new ATOM 0 HG2 GLU A 93 13.044 1.621 -15.638 1.00 3.20 H new ATOM 0 HG3 GLU A 93 11.979 0.856 -16.801 1.00 3.20 H new ATOM 1210 N GLN A 94 15.415 4.518 -18.655 1.00 3.83 N ATOM 1211 CA GLN A 94 15.905 5.387 -19.717 1.00 4.09 C ATOM 1212 C GLN A 94 14.926 5.432 -20.888 1.00 4.17 C ATOM 1213 O GLN A 94 14.734 6.475 -21.511 1.00 4.33 O ATOM 1214 CB GLN A 94 17.272 4.889 -20.187 1.00 4.34 C ATOM 1215 CG GLN A 94 17.973 5.809 -21.174 1.00 4.61 C ATOM 1216 CD GLN A 94 19.348 5.296 -21.553 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.494 4.506 -22.484 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.364 5.740 -20.837 1.00 4.92 N ATOM 0 H GLN A 94 16.060 3.769 -18.403 1.00 3.83 H new ATOM 0 HA GLN A 94 16.000 6.400 -19.325 1.00 4.09 H new ATOM 0 HB2 GLN A 94 17.914 4.754 -19.317 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.149 3.909 -20.648 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.363 5.909 -22.072 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.065 6.804 -20.739 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.201 6.395 -20.072 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.312 5.428 -21.048 1.00 4.92 H new ATOM 1227 N THR A 95 14.296 4.297 -21.167 1.00 4.08 N ATOM 1228 CA THR A 95 13.336 4.194 -22.256 1.00 4.17 C ATOM 1229 C THR A 95 12.108 5.073 -22.017 1.00 4.00 C ATOM 1230 O THR A 95 11.482 5.551 -22.962 1.00 4.17 O ATOM 1231 CB THR A 95 12.885 2.738 -22.432 1.00 4.11 C ATOM 1232 OG1 THR A 95 13.010 2.048 -21.181 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.717 2.035 -23.497 1.00 4.41 C ATOM 0 H THR A 95 14.435 3.430 -20.649 1.00 4.08 H new ATOM 0 HA THR A 95 13.837 4.541 -23.160 1.00 4.17 H new ATOM 0 HB THR A 95 11.844 2.731 -22.755 1.00 4.11 H new ATOM 0 HG1 THR A 95 13.891 1.621 -21.129 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.377 1.005 -23.603 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.603 2.554 -24.449 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.766 2.043 -23.203 1.00 4.41 H new ATOM 1241 N GLY A 96 11.771 5.285 -20.749 1.00 3.73 N ATOM 1242 CA GLY A 96 10.620 6.102 -20.406 1.00 3.60 C ATOM 1243 C GLY A 96 9.331 5.304 -20.364 1.00 3.42 C ATOM 1244 O GLY A 96 8.267 5.843 -20.065 1.00 3.37 O ATOM 0 H GLY A 96 12.277 4.904 -19.949 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.786 6.568 -19.435 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.521 6.908 -21.134 1.00 3.60 H new ATOM 1248 N GLY A 97 9.430 4.016 -20.659 1.00 3.39 N ATOM 1249 CA GLY A 97 8.260 3.164 -20.646 1.00 3.25 C ATOM 1250 C GLY A 97 7.801 2.818 -22.044 1.00 3.46 C ATOM 1251 O GLY A 97 7.191 1.744 -22.226 1.00 3.54 O ATOM 1252 OXT GLY A 97 8.060 3.615 -22.970 1.00 3.68 O ATOM 0 H GLY A 97 10.301 3.546 -20.907 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.484 2.248 -20.100 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.452 3.664 -20.112 1.00 3.25 H new TER 1256 GLY A 97 ATOM 1257 N LYS B 1 6.666 8.955 9.491 1.00 3.70 N ATOM 1258 CA LYS B 1 5.434 8.202 9.168 1.00 3.56 C ATOM 1259 C LYS B 1 5.053 8.410 7.710 1.00 2.96 C ATOM 1260 O LYS B 1 4.767 9.530 7.288 1.00 3.20 O ATOM 1261 CB LYS B 1 4.280 8.642 10.072 1.00 4.36 C ATOM 1262 CG LYS B 1 4.458 8.266 11.534 1.00 5.08 C ATOM 1263 CD LYS B 1 3.356 8.865 12.392 1.00 5.92 C ATOM 1264 CE LYS B 1 3.462 8.407 13.838 1.00 6.64 C ATOM 1265 NZ LYS B 1 2.761 7.116 14.068 1.00 7.46 N ATOM 0 H1 LYS B 1 7.018 8.661 10.424 1.00 3.70 H new ATOM 0 H2 LYS B 1 7.391 8.760 8.771 1.00 3.70 H new ATOM 0 H3 LYS B 1 6.457 9.974 9.505 1.00 3.70 H new ATOM 0 HA LYS B 1 5.629 7.143 9.338 1.00 3.56 H new ATOM 0 HB2 LYS B 1 4.166 9.724 9.997 1.00 4.36 H new ATOM 0 HB3 LYS B 1 3.355 8.198 9.704 1.00 4.36 H new ATOM 0 HG2 LYS B 1 4.454 7.181 11.637 1.00 5.08 H new ATOM 0 HG3 LYS B 1 5.428 8.616 11.887 1.00 5.08 H new ATOM 0 HD2 LYS B 1 3.411 9.953 12.349 1.00 5.92 H new ATOM 0 HD3 LYS B 1 2.384 8.579 11.989 1.00 5.92 H new ATOM 0 HE2 LYS B 1 4.513 8.302 14.109 1.00 6.64 H new ATOM 0 HE3 LYS B 1 3.039 9.170 14.492 1.00 6.64 H new ATOM 0 HZ1 LYS B 1 2.858 6.841 15.066 1.00 7.46 H new ATOM 0 HZ2 LYS B 1 1.753 7.222 13.835 1.00 7.46 H new ATOM 0 HZ3 LYS B 1 3.181 6.381 13.464 1.00 7.46 H new ATOM 1281 N VAL B 2 5.057 7.331 6.945 1.00 2.52 N ATOM 1282 CA VAL B 2 4.714 7.386 5.532 1.00 2.19 C ATOM 1283 C VAL B 2 3.478 6.537 5.270 1.00 2.16 C ATOM 1284 O VAL B 2 3.249 5.540 5.959 1.00 2.32 O ATOM 1285 CB VAL B 2 5.876 6.892 4.645 1.00 2.29 C ATOM 1286 CG1 VAL B 2 5.684 7.340 3.205 1.00 2.65 C ATOM 1287 CG2 VAL B 2 7.209 7.386 5.185 1.00 2.60 C ATOM 0 H VAL B 2 5.296 6.398 7.282 1.00 2.52 H new ATOM 0 HA VAL B 2 4.513 8.427 5.277 1.00 2.19 H new ATOM 0 HB VAL B 2 5.879 5.802 4.665 1.00 2.29 H new ATOM 0 HG11 VAL B 2 6.515 6.980 2.598 1.00 2.65 H new ATOM 0 HG12 VAL B 2 4.750 6.933 2.819 1.00 2.65 H new ATOM 0 HG13 VAL B 2 5.649 8.429 3.164 1.00 2.65 H new ATOM 0 HG21 VAL B 2 8.016 7.027 4.546 1.00 2.60 H new ATOM 0 HG22 VAL B 2 7.214 8.476 5.199 1.00 2.60 H new ATOM 0 HG23 VAL B 2 7.353 7.009 6.198 1.00 2.60 H new ATOM 1297 N ASP B 3 2.675 6.946 4.301 1.00 2.10 N ATOM 1298 CA ASP B 3 1.465 6.213 3.953 1.00 2.09 C ATOM 1299 C ASP B 3 1.830 4.884 3.303 1.00 1.88 C ATOM 1300 O ASP B 3 2.821 4.792 2.577 1.00 1.83 O ATOM 1301 CB ASP B 3 0.589 7.044 3.016 1.00 2.18 C ATOM 1302 CG ASP B 3 -0.702 6.341 2.644 1.00 2.18 C ATOM 1303 OD1 ASP B 3 -1.283 5.650 3.510 1.00 2.50 O ATOM 1304 OD2 ASP B 3 -1.146 6.484 1.489 1.00 2.25 O ATOM 0 H ASP B 3 2.838 7.782 3.740 1.00 2.10 H new ATOM 0 HA ASP B 3 0.900 6.014 4.864 1.00 2.09 H new ATOM 0 HB2 ASP B 3 0.355 7.996 3.493 1.00 2.18 H new ATOM 0 HB3 ASP B 3 1.149 7.271 2.109 1.00 2.18 H new ATOM 1309 N VAL B 4 1.037 3.861 3.577 1.00 1.82 N ATOM 1310 CA VAL B 4 1.273 2.547 3.036 1.00 1.66 C ATOM 1311 C VAL B 4 0.239 2.238 1.970 1.00 1.67 C ATOM 1312 O VAL B 4 -0.961 2.207 2.254 1.00 1.80 O ATOM 1313 CB VAL B 4 1.204 1.475 4.138 1.00 1.71 C ATOM 1314 CG1 VAL B 4 2.057 0.277 3.775 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.621 2.038 5.491 1.00 2.04 C ATOM 0 H VAL B 4 0.216 3.925 4.179 1.00 1.82 H new ATOM 0 HA VAL B 4 2.272 2.534 2.600 1.00 1.66 H new ATOM 0 HB VAL B 4 0.166 1.151 4.218 1.00 1.71 H new ATOM 0 HG11 VAL B 4 1.994 -0.468 4.568 1.00 2.13 H new ATOM 0 HG12 VAL B 4 1.698 -0.155 2.841 1.00 2.13 H new ATOM 0 HG13 VAL B 4 3.094 0.592 3.655 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.560 1.254 6.246 1.00 2.04 H new ATOM 0 HG22 VAL B 4 2.645 2.406 5.432 1.00 2.04 H new ATOM 0 HG23 VAL B 4 0.956 2.857 5.765 1.00 2.04 H new ATOM 1325 N ILE B 5 0.696 2.021 0.746 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.206 1.717 -0.352 1.00 1.57 C ATOM 1327 C ILE B 5 -0.823 0.342 -0.144 1.00 1.50 C ATOM 1328 O ILE B 5 -0.112 -0.661 -0.063 1.00 1.31 O ATOM 1329 CB ILE B 5 0.515 1.761 -1.718 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.380 3.020 -1.829 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.497 1.713 -2.855 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.210 3.080 -3.095 1.00 1.61 C ATOM 0 H ILE B 5 1.683 2.050 0.490 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.986 2.479 -0.362 1.00 1.57 H new ATOM 0 HB ILE B 5 1.164 0.888 -1.792 1.00 1.47 H new ATOM 0 HG12 ILE B 5 0.735 3.898 -1.786 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.045 3.070 -0.967 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.027 1.745 -3.810 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -1.075 0.791 -2.789 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -1.168 2.568 -2.781 1.00 1.58 H new ATOM 0 HD11 ILE B 5 2.796 3.999 -3.103 1.00 1.61 H new ATOM 0 HD12 ILE B 5 2.881 2.222 -3.131 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.551 3.062 -3.963 1.00 1.61 H new ATOM 1344 N ASP B 6 -2.141 0.313 -0.019 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.870 -0.926 0.206 1.00 1.77 C ATOM 1346 C ASP B 6 -2.987 -1.733 -1.066 1.00 1.63 C ATOM 1347 O ASP B 6 -3.540 -1.266 -2.060 1.00 1.75 O ATOM 1348 CB ASP B 6 -4.284 -0.654 0.720 1.00 2.16 C ATOM 1349 CG ASP B 6 -4.319 0.255 1.927 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -4.124 -0.239 3.055 1.00 2.53 O ATOM 1351 OD2 ASP B 6 -4.553 1.471 1.754 1.00 2.43 O ATOM 0 H ASP B 6 -2.733 1.142 -0.070 1.00 1.74 H new ATOM 0 HA ASP B 6 -2.304 -1.485 0.951 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.874 -0.206 -0.080 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.759 -1.602 0.974 1.00 2.16 H new ATOM 1356 N LEU B 7 -2.477 -2.950 -1.034 1.00 1.42 N ATOM 1357 CA LEU B 7 -2.564 -3.835 -2.181 1.00 1.32 C ATOM 1358 C LEU B 7 -3.211 -5.151 -1.758 1.00 1.37 C ATOM 1359 O LEU B 7 -3.049 -6.185 -2.406 1.00 1.42 O ATOM 1360 CB LEU B 7 -1.175 -4.075 -2.791 1.00 1.13 C ATOM 1361 CG LEU B 7 -0.910 -3.371 -4.130 1.00 1.41 C ATOM 1362 CD1 LEU B 7 -1.201 -1.882 -4.037 1.00 1.77 C ATOM 1363 CD2 LEU B 7 0.528 -3.595 -4.571 1.00 1.70 C ATOM 0 H LEU B 7 -1.998 -3.348 -0.226 1.00 1.42 H new ATOM 0 HA LEU B 7 -3.182 -3.368 -2.948 1.00 1.32 H new ATOM 0 HB2 LEU B 7 -0.421 -3.749 -2.074 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -1.039 -5.147 -2.931 1.00 1.13 H new ATOM 0 HG LEU B 7 -1.581 -3.803 -4.872 1.00 1.41 H new ATOM 0 HD11 LEU B 7 -1.004 -1.412 -5.000 1.00 1.77 H new ATOM 0 HD12 LEU B 7 -2.246 -1.732 -3.767 1.00 1.77 H new ATOM 0 HD13 LEU B 7 -0.562 -1.433 -3.277 1.00 1.77 H new ATOM 0 HD21 LEU B 7 0.700 -3.090 -5.521 1.00 1.70 H new ATOM 0 HD22 LEU B 7 1.206 -3.193 -3.818 1.00 1.70 H new ATOM 0 HD23 LEU B 7 0.710 -4.663 -4.690 1.00 1.70 H new ATOM 1375 N THR B 8 -3.960 -5.086 -0.663 1.00 1.52 N ATOM 1376 CA THR B 8 -4.637 -6.254 -0.119 1.00 1.66 C ATOM 1377 C THR B 8 -6.012 -6.458 -0.754 1.00 1.76 C ATOM 1378 O THR B 8 -6.473 -7.591 -0.900 1.00 2.31 O ATOM 1379 CB THR B 8 -4.781 -6.161 1.421 1.00 2.06 C ATOM 1380 OG1 THR B 8 -5.559 -7.260 1.917 1.00 3.00 O ATOM 1381 CG2 THR B 8 -5.424 -4.851 1.854 1.00 2.55 C ATOM 0 H THR B 8 -4.113 -4.229 -0.132 1.00 1.52 H new ATOM 0 HA THR B 8 -4.014 -7.115 -0.361 1.00 1.66 H new ATOM 0 HB THR B 8 -3.776 -6.201 1.840 1.00 2.06 H new ATOM 0 HG1 THR B 8 -5.047 -8.091 1.827 1.00 3.00 H new ATOM 0 HG21 THR B 8 -5.506 -4.828 2.941 1.00 2.55 H new ATOM 0 HG22 THR B 8 -4.810 -4.016 1.518 1.00 2.55 H new ATOM 0 HG23 THR B 8 -6.418 -4.770 1.414 1.00 2.55 H new ATOM 1389 N ILE B 9 -6.663 -5.370 -1.145 1.00 1.81 N ATOM 1390 CA ILE B 9 -7.980 -5.459 -1.752 1.00 2.17 C ATOM 1391 C ILE B 9 -7.855 -5.850 -3.217 1.00 2.44 C ATOM 1392 O ILE B 9 -7.907 -5.006 -4.113 1.00 3.08 O ATOM 1393 CB ILE B 9 -8.773 -4.137 -1.630 1.00 2.73 C ATOM 1394 CG1 ILE B 9 -8.703 -3.585 -0.198 1.00 3.02 C ATOM 1395 CG2 ILE B 9 -10.222 -4.353 -2.041 1.00 3.38 C ATOM 1396 CD1 ILE B 9 -9.310 -4.501 0.847 1.00 3.74 C ATOM 0 H ILE B 9 -6.301 -4.421 -1.052 1.00 1.81 H new ATOM 0 HA ILE B 9 -8.533 -6.226 -1.210 1.00 2.17 H new ATOM 0 HB ILE B 9 -8.321 -3.405 -2.299 1.00 2.73 H new ATOM 0 HG12 ILE B 9 -7.660 -3.400 0.058 1.00 3.02 H new ATOM 0 HG13 ILE B 9 -9.215 -2.623 -0.165 1.00 3.02 H new ATOM 0 HG21 ILE B 9 -10.770 -3.415 -1.951 1.00 3.38 H new ATOM 0 HG22 ILE B 9 -10.260 -4.697 -3.075 1.00 3.38 H new ATOM 0 HG23 ILE B 9 -10.676 -5.102 -1.393 1.00 3.38 H new ATOM 0 HD11 ILE B 9 -9.221 -4.040 1.831 1.00 3.74 H new ATOM 0 HD12 ILE B 9 -10.363 -4.667 0.618 1.00 3.74 H new ATOM 0 HD13 ILE B 9 -8.783 -5.455 0.845 1.00 3.74 H new ATOM 1408 N GLU B 10 -7.646 -7.137 -3.447 1.00 2.62 N ATOM 1409 CA GLU B 10 -7.513 -7.669 -4.791 1.00 3.41 C ATOM 1410 C GLU B 10 -8.872 -8.123 -5.298 1.00 3.70 C ATOM 1411 O GLU B 10 -9.146 -8.098 -6.496 1.00 4.27 O ATOM 1412 CB GLU B 10 -6.523 -8.835 -4.803 1.00 4.14 C ATOM 1413 CG GLU B 10 -5.218 -8.525 -4.092 1.00 4.97 C ATOM 1414 CD GLU B 10 -4.168 -9.589 -4.323 1.00 5.74 C ATOM 1415 OE1 GLU B 10 -3.480 -9.536 -5.362 1.00 6.22 O ATOM 1416 OE2 GLU B 10 -4.021 -10.480 -3.462 1.00 6.12 O ATOM 0 H GLU B 10 -7.564 -7.838 -2.710 1.00 2.62 H new ATOM 0 HA GLU B 10 -7.132 -6.888 -5.449 1.00 3.41 H new ATOM 0 HB2 GLU B 10 -6.988 -9.701 -4.332 1.00 4.14 H new ATOM 0 HB3 GLU B 10 -6.309 -9.110 -5.836 1.00 4.14 H new ATOM 0 HG2 GLU B 10 -4.839 -7.563 -4.438 1.00 4.97 H new ATOM 0 HG3 GLU B 10 -5.404 -8.429 -3.022 1.00 4.97 H new ATOM 1423 N SER B 11 -9.720 -8.538 -4.370 1.00 3.75 N ATOM 1424 CA SER B 11 -11.056 -8.988 -4.704 1.00 4.38 C ATOM 1425 C SER B 11 -12.078 -8.007 -4.145 1.00 4.06 C ATOM 1426 O SER B 11 -12.493 -8.121 -2.990 1.00 3.95 O ATOM 1427 CB SER B 11 -11.287 -10.391 -4.145 1.00 5.27 C ATOM 1428 OG SER B 11 -10.186 -11.237 -4.441 1.00 5.71 O ATOM 0 H SER B 11 -9.502 -8.571 -3.374 1.00 3.75 H new ATOM 0 HA SER B 11 -11.168 -9.029 -5.787 1.00 4.38 H new ATOM 0 HB2 SER B 11 -11.432 -10.339 -3.066 1.00 5.27 H new ATOM 0 HB3 SER B 11 -12.199 -10.811 -4.569 1.00 5.27 H new ATOM 0 HG SER B 11 -10.352 -12.130 -4.074 1.00 5.71 H new ATOM 1434 N SER B 12 -12.447 -7.025 -4.958 1.00 4.44 N ATOM 1435 CA SER B 12 -13.412 -6.015 -4.556 1.00 4.71 C ATOM 1436 C SER B 12 -14.723 -6.657 -4.119 1.00 4.51 C ATOM 1437 O SER B 12 -15.435 -7.262 -4.924 1.00 4.87 O ATOM 1438 CB SER B 12 -13.653 -5.033 -5.702 1.00 5.75 C ATOM 1439 OG SER B 12 -12.494 -4.259 -5.958 1.00 6.23 O ATOM 0 H SER B 12 -12.088 -6.908 -5.906 1.00 4.44 H new ATOM 0 HA SER B 12 -13.004 -5.470 -3.705 1.00 4.71 H new ATOM 0 HB2 SER B 12 -13.936 -5.580 -6.601 1.00 5.75 H new ATOM 0 HB3 SER B 12 -14.486 -4.376 -5.454 1.00 5.75 H new ATOM 0 HG SER B 12 -12.671 -3.639 -6.696 1.00 6.23 H new ATOM 1445 N SER B 13 -15.015 -6.543 -2.836 1.00 4.36 N ATOM 1446 CA SER B 13 -16.228 -7.103 -2.269 1.00 4.58 C ATOM 1447 C SER B 13 -17.213 -5.992 -1.917 1.00 4.15 C ATOM 1448 O SER B 13 -18.404 -6.234 -1.727 1.00 4.69 O ATOM 1449 CB SER B 13 -15.880 -7.927 -1.027 1.00 5.38 C ATOM 1450 OG SER B 13 -14.742 -8.744 -1.266 1.00 5.90 O ATOM 0 H SER B 13 -14.421 -6.062 -2.161 1.00 4.36 H new ATOM 0 HA SER B 13 -16.700 -7.754 -3.005 1.00 4.58 H new ATOM 0 HB2 SER B 13 -15.685 -7.261 -0.186 1.00 5.38 H new ATOM 0 HB3 SER B 13 -16.729 -8.551 -0.749 1.00 5.38 H new ATOM 0 HG SER B 13 -14.535 -9.261 -0.460 1.00 5.90 H new ATOM 1456 N ASP B 14 -16.703 -4.773 -1.844 1.00 3.66 N ATOM 1457 CA ASP B 14 -17.519 -3.616 -1.525 1.00 3.77 C ATOM 1458 C ASP B 14 -17.283 -2.540 -2.578 1.00 3.52 C ATOM 1459 O ASP B 14 -16.473 -2.731 -3.483 1.00 3.73 O ATOM 1460 CB ASP B 14 -17.176 -3.090 -0.121 1.00 4.22 C ATOM 1461 CG ASP B 14 -18.116 -1.997 0.357 1.00 5.09 C ATOM 1462 OD1 ASP B 14 -19.294 -1.996 -0.059 1.00 5.62 O ATOM 1463 OD2 ASP B 14 -17.690 -1.139 1.165 1.00 5.48 O ATOM 0 H ASP B 14 -15.718 -4.560 -2.003 1.00 3.66 H new ATOM 0 HA ASP B 14 -18.572 -3.897 -1.527 1.00 3.77 H new ATOM 0 HB2 ASP B 14 -17.204 -3.919 0.587 1.00 4.22 H new ATOM 0 HB3 ASP B 14 -16.156 -2.707 -0.123 1.00 4.22 H new TER 1468 ASP B 14