USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 36 SER OG : rot -87:sc= 2.1 USER MOD Set 1.2: A 45 HIS : no HE2:sc= 0.467 K(o=2.6,f=-3.6!) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.375 X(o=0.82,f=1) USER MOD Set 2.2: A 61 THR OG1 : rot 76:sc= 1.2 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.429 USER MOD Set 3.2: A 18 CYS SG : rot -70:sc= -0.0745 USER MOD Single : A 13 MET CE :methyl -153:sc= -0.048 (180deg=-0.64) USER MOD Single : A 14 THR OG1 : rot -15:sc= 0.463 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.662 K(o=-0.66,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= -0.0781 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -54:sc= -0.361 USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.53 USER MOD Single : A 42 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 2.5 (180deg=2.28) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0139) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 16:sc= 0.998 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.629 -12.846 -1.843 1.00 1.11 N ATOM 40 CA GLY A 4 -3.465 -11.987 -1.852 1.00 1.42 C ATOM 41 C GLY A 4 -3.786 -10.810 -0.945 1.00 1.30 C ATOM 42 O GLY A 4 -4.520 -9.901 -1.327 1.00 1.63 O ATOM 0 HA2 GLY A 4 -2.586 -12.523 -1.495 1.00 1.42 H new ATOM 0 HA3 GLY A 4 -3.242 -11.647 -2.863 1.00 1.42 H new ATOM 46 N VAL A 5 -3.259 -10.843 0.280 1.00 1.15 N ATOM 47 CA VAL A 5 -3.421 -9.787 1.260 1.00 1.06 C ATOM 48 C VAL A 5 -2.037 -9.437 1.787 1.00 1.00 C ATOM 49 O VAL A 5 -1.237 -10.334 2.053 1.00 1.46 O ATOM 50 CB VAL A 5 -4.401 -10.226 2.360 1.00 1.24 C ATOM 51 CG1 VAL A 5 -3.956 -11.478 3.127 1.00 1.91 C ATOM 52 CG2 VAL A 5 -4.653 -9.078 3.342 1.00 1.94 C ATOM 0 H VAL A 5 -2.697 -11.624 0.618 1.00 1.15 H new ATOM 0 HA VAL A 5 -3.859 -8.892 0.819 1.00 1.06 H new ATOM 0 HB VAL A 5 -5.324 -10.491 1.845 1.00 1.24 H new ATOM 0 HG11 VAL A 5 -4.700 -11.724 3.885 1.00 1.91 H new ATOM 0 HG12 VAL A 5 -3.855 -12.313 2.434 1.00 1.91 H new ATOM 0 HG13 VAL A 5 -2.996 -11.288 3.608 1.00 1.91 H new ATOM 0 HG21 VAL A 5 -5.349 -9.406 4.114 1.00 1.94 H new ATOM 0 HG22 VAL A 5 -3.712 -8.781 3.804 1.00 1.94 H new ATOM 0 HG23 VAL A 5 -5.078 -8.229 2.807 1.00 1.94 H new ATOM 62 N LEU A 6 -1.737 -8.144 1.893 1.00 0.77 N ATOM 63 CA LEU A 6 -0.467 -7.660 2.396 1.00 0.88 C ATOM 64 C LEU A 6 -0.728 -6.373 3.166 1.00 0.77 C ATOM 65 O LEU A 6 -1.117 -5.374 2.560 1.00 0.95 O ATOM 66 CB LEU A 6 0.483 -7.437 1.210 1.00 1.05 C ATOM 67 CG LEU A 6 1.866 -6.901 1.608 1.00 1.18 C ATOM 68 CD1 LEU A 6 2.581 -7.880 2.546 1.00 2.09 C ATOM 69 CD2 LEU A 6 2.707 -6.694 0.342 1.00 2.03 C ATOM 0 H LEU A 6 -2.381 -7.399 1.627 1.00 0.77 H new ATOM 0 HA LEU A 6 0.003 -8.379 3.067 1.00 0.88 H new ATOM 0 HB2 LEU A 6 0.610 -8.380 0.677 1.00 1.05 H new ATOM 0 HB3 LEU A 6 0.020 -6.737 0.514 1.00 1.05 H new ATOM 0 HG LEU A 6 1.739 -5.954 2.133 1.00 1.18 H new ATOM 0 HD11 LEU A 6 3.558 -7.479 2.814 1.00 2.09 H new ATOM 0 HD12 LEU A 6 1.986 -8.020 3.448 1.00 2.09 H new ATOM 0 HD13 LEU A 6 2.708 -8.839 2.043 1.00 2.09 H new ATOM 0 HD21 LEU A 6 3.691 -6.313 0.617 1.00 2.03 H new ATOM 0 HD22 LEU A 6 2.818 -7.644 -0.180 1.00 2.03 H new ATOM 0 HD23 LEU A 6 2.210 -5.977 -0.312 1.00 2.03 H new ATOM 81 N GLU A 7 -0.516 -6.398 4.487 1.00 0.76 N ATOM 82 CA GLU A 7 -0.423 -5.180 5.274 1.00 0.70 C ATOM 83 C GLU A 7 1.031 -4.768 5.408 1.00 0.74 C ATOM 84 O GLU A 7 1.898 -5.590 5.701 1.00 1.18 O ATOM 85 CB GLU A 7 -1.148 -5.277 6.631 1.00 0.90 C ATOM 86 CG GLU A 7 -2.505 -4.616 6.401 1.00 1.50 C ATOM 87 CD GLU A 7 -3.445 -4.517 7.587 1.00 2.22 C ATOM 88 OE1 GLU A 7 -4.149 -5.518 7.833 1.00 2.90 O ATOM 89 OE2 GLU A 7 -3.592 -3.378 8.086 1.00 3.32 O ATOM 0 H GLU A 7 -0.406 -7.256 5.028 1.00 0.76 H new ATOM 0 HA GLU A 7 -0.954 -4.392 4.740 1.00 0.70 H new ATOM 0 HB2 GLU A 7 -1.262 -6.315 6.944 1.00 0.90 H new ATOM 0 HB3 GLU A 7 -0.588 -4.767 7.415 1.00 0.90 H new ATOM 0 HG2 GLU A 7 -2.329 -3.608 6.026 1.00 1.50 H new ATOM 0 HG3 GLU A 7 -3.017 -5.165 5.611 1.00 1.50 H new ATOM 96 N LEU A 8 1.273 -3.481 5.173 1.00 0.57 N ATOM 97 CA LEU A 8 2.548 -2.837 5.389 1.00 0.62 C ATOM 98 C LEU A 8 2.289 -1.556 6.159 1.00 0.58 C ATOM 99 O LEU A 8 1.230 -0.949 6.001 1.00 0.64 O ATOM 100 CB LEU A 8 3.271 -2.608 4.051 1.00 0.84 C ATOM 101 CG LEU A 8 2.452 -1.897 2.951 1.00 1.08 C ATOM 102 CD1 LEU A 8 2.466 -0.365 3.063 1.00 2.24 C ATOM 103 CD2 LEU A 8 3.056 -2.246 1.592 1.00 1.96 C ATOM 0 H LEU A 8 0.559 -2.845 4.816 1.00 0.57 H new ATOM 0 HA LEU A 8 3.217 -3.465 5.976 1.00 0.62 H new ATOM 0 HB2 LEU A 8 4.170 -2.022 4.242 1.00 0.84 H new ATOM 0 HB3 LEU A 8 3.596 -3.575 3.666 1.00 0.84 H new ATOM 0 HG LEU A 8 1.423 -2.237 3.066 1.00 1.08 H new ATOM 0 HD11 LEU A 8 1.870 0.064 2.257 1.00 2.24 H new ATOM 0 HD12 LEU A 8 2.046 -0.067 4.024 1.00 2.24 H new ATOM 0 HD13 LEU A 8 3.492 -0.004 2.988 1.00 2.24 H new ATOM 0 HD21 LEU A 8 2.489 -1.751 0.804 1.00 1.96 H new ATOM 0 HD22 LEU A 8 4.093 -1.911 1.558 1.00 1.96 H new ATOM 0 HD23 LEU A 8 3.018 -3.325 1.443 1.00 1.96 H new ATOM 115 N VAL A 9 3.252 -1.161 6.988 1.00 0.58 N ATOM 116 CA VAL A 9 3.346 0.186 7.501 1.00 0.58 C ATOM 117 C VAL A 9 3.977 1.021 6.390 1.00 0.52 C ATOM 118 O VAL A 9 4.855 0.527 5.680 1.00 0.67 O ATOM 119 CB VAL A 9 4.143 0.188 8.814 1.00 0.67 C ATOM 120 CG1 VAL A 9 5.009 1.429 9.004 1.00 0.74 C ATOM 121 CG2 VAL A 9 3.178 0.069 10.003 1.00 0.81 C ATOM 0 H VAL A 9 3.992 -1.780 7.320 1.00 0.58 H new ATOM 0 HA VAL A 9 2.377 0.615 7.756 1.00 0.58 H new ATOM 0 HB VAL A 9 4.817 -0.667 8.763 1.00 0.67 H new ATOM 0 HG11 VAL A 9 5.542 1.359 9.952 1.00 0.74 H new ATOM 0 HG12 VAL A 9 5.728 1.499 8.188 1.00 0.74 H new ATOM 0 HG13 VAL A 9 4.377 2.317 9.007 1.00 0.74 H new ATOM 0 HG21 VAL A 9 3.745 0.071 10.934 1.00 0.81 H new ATOM 0 HG22 VAL A 9 2.488 0.913 9.997 1.00 0.81 H new ATOM 0 HG23 VAL A 9 2.615 -0.861 9.923 1.00 0.81 H new ATOM 131 N VAL A 10 3.524 2.266 6.236 1.00 0.52 N ATOM 132 CA VAL A 10 4.026 3.233 5.291 1.00 0.58 C ATOM 133 C VAL A 10 4.469 4.471 6.082 1.00 0.66 C ATOM 134 O VAL A 10 3.659 5.338 6.419 1.00 1.01 O ATOM 135 CB VAL A 10 2.964 3.479 4.205 1.00 0.66 C ATOM 136 CG1 VAL A 10 1.542 3.680 4.739 1.00 1.95 C ATOM 137 CG2 VAL A 10 3.384 4.652 3.323 1.00 2.46 C ATOM 0 H VAL A 10 2.759 2.634 6.801 1.00 0.52 H new ATOM 0 HA VAL A 10 4.904 2.886 4.746 1.00 0.58 H new ATOM 0 HB VAL A 10 2.918 2.563 3.615 1.00 0.66 H new ATOM 0 HG11 VAL A 10 0.860 3.847 3.905 1.00 1.95 H new ATOM 0 HG12 VAL A 10 1.231 2.792 5.290 1.00 1.95 H new ATOM 0 HG13 VAL A 10 1.521 4.544 5.403 1.00 1.95 H new ATOM 0 HG21 VAL A 10 2.627 4.820 2.557 1.00 2.46 H new ATOM 0 HG22 VAL A 10 3.487 5.548 3.934 1.00 2.46 H new ATOM 0 HG23 VAL A 10 4.338 4.426 2.847 1.00 2.46 H new ATOM 147 N ARG A 11 5.763 4.567 6.399 1.00 0.98 N ATOM 148 CA ARG A 11 6.312 5.665 7.188 1.00 1.14 C ATOM 149 C ARG A 11 6.536 6.886 6.291 1.00 1.12 C ATOM 150 O ARG A 11 7.653 7.378 6.162 1.00 2.40 O ATOM 151 CB ARG A 11 7.621 5.248 7.874 1.00 1.24 C ATOM 152 CG ARG A 11 7.520 4.084 8.866 1.00 1.78 C ATOM 153 CD ARG A 11 6.626 4.383 10.082 1.00 2.64 C ATOM 154 NE ARG A 11 6.759 3.323 11.098 1.00 3.85 N ATOM 155 CZ ARG A 11 5.877 3.023 12.067 1.00 5.60 C ATOM 156 NH1 ARG A 11 4.817 3.807 12.292 1.00 6.64 N ATOM 157 NH2 ARG A 11 6.064 1.923 12.795 1.00 6.84 N ATOM 0 H ARG A 11 6.460 3.880 6.112 1.00 0.98 H new ATOM 0 HA ARG A 11 5.597 5.925 7.969 1.00 1.14 H new ATOM 0 HB2 ARG A 11 8.343 4.980 7.102 1.00 1.24 H new ATOM 0 HB3 ARG A 11 8.024 6.114 8.400 1.00 1.24 H new ATOM 0 HG2 ARG A 11 7.131 3.208 8.347 1.00 1.78 H new ATOM 0 HG3 ARG A 11 8.520 3.829 9.216 1.00 1.78 H new ATOM 0 HD2 ARG A 11 6.901 5.345 10.514 1.00 2.64 H new ATOM 0 HD3 ARG A 11 5.586 4.462 9.765 1.00 2.64 H new ATOM 0 HE ARG A 11 7.608 2.759 11.062 1.00 3.85 H new ATOM 0 HH11 ARG A 11 4.671 4.643 11.725 1.00 6.64 H new ATOM 0 HH12 ARG A 11 4.154 3.569 13.030 1.00 6.64 H new ATOM 0 HH21 ARG A 11 6.868 1.322 12.614 1.00 6.84 H new ATOM 0 HH22 ARG A 11 5.403 1.682 13.534 1.00 6.84 H new ATOM 171 N GLY A 12 5.464 7.386 5.675 1.00 1.26 N ATOM 172 CA GLY A 12 5.526 8.573 4.837 1.00 1.28 C ATOM 173 C GLY A 12 4.212 9.349 4.742 1.00 1.12 C ATOM 174 O GLY A 12 4.172 10.372 4.061 1.00 1.46 O ATOM 0 H GLY A 12 4.532 6.977 5.746 1.00 1.26 H new ATOM 0 HA2 GLY A 12 6.299 9.237 5.225 1.00 1.28 H new ATOM 0 HA3 GLY A 12 5.833 8.279 3.833 1.00 1.28 H new ATOM 178 N MET A 13 3.138 8.910 5.414 1.00 1.14 N ATOM 179 CA MET A 13 1.854 9.585 5.332 1.00 1.16 C ATOM 180 C MET A 13 1.878 10.844 6.193 1.00 0.92 C ATOM 181 O MET A 13 1.355 10.873 7.304 1.00 1.33 O ATOM 182 CB MET A 13 0.716 8.627 5.694 1.00 1.63 C ATOM 183 CG MET A 13 0.691 7.454 4.711 1.00 0.97 C ATOM 184 SD MET A 13 -0.853 6.521 4.652 1.00 1.64 S ATOM 185 CE MET A 13 -0.990 5.978 6.361 1.00 1.54 C ATOM 0 H MET A 13 3.143 8.089 6.019 1.00 1.14 H new ATOM 0 HA MET A 13 1.667 9.902 4.306 1.00 1.16 H new ATOM 0 HB2 MET A 13 0.849 8.258 6.711 1.00 1.63 H new ATOM 0 HB3 MET A 13 -0.237 9.155 5.669 1.00 1.63 H new ATOM 0 HG2 MET A 13 0.903 7.835 3.712 1.00 0.97 H new ATOM 0 HG3 MET A 13 1.499 6.769 4.969 1.00 0.97 H new ATOM 0 HE1 MET A 13 -1.564 5.052 6.404 1.00 1.54 H new ATOM 0 HE2 MET A 13 0.006 5.807 6.769 1.00 1.54 H new ATOM 0 HE3 MET A 13 -1.495 6.745 6.947 1.00 1.54 H new ATOM 195 N THR A 14 2.528 11.879 5.671 1.00 0.77 N ATOM 196 CA THR A 14 2.784 13.115 6.385 1.00 1.01 C ATOM 197 C THR A 14 1.542 14.008 6.500 1.00 1.20 C ATOM 198 O THR A 14 1.598 14.978 7.257 1.00 1.78 O ATOM 199 CB THR A 14 3.990 13.840 5.763 1.00 1.38 C ATOM 200 OG1 THR A 14 4.273 15.035 6.464 1.00 1.97 O ATOM 201 CG2 THR A 14 3.803 14.142 4.273 1.00 1.59 C ATOM 0 H THR A 14 2.897 11.877 4.720 1.00 0.77 H new ATOM 0 HA THR A 14 3.037 12.863 7.415 1.00 1.01 H new ATOM 0 HB THR A 14 4.835 13.157 5.850 1.00 1.38 H new ATOM 0 HG1 THR A 14 3.510 15.269 7.033 1.00 1.97 H new ATOM 0 HG21 THR A 14 4.687 14.654 3.892 1.00 1.59 H new ATOM 0 HG22 THR A 14 3.661 13.209 3.728 1.00 1.59 H new ATOM 0 HG23 THR A 14 2.929 14.778 4.138 1.00 1.59 H new ATOM 209 N CYS A 15 0.448 13.731 5.777 1.00 0.91 N ATOM 210 CA CYS A 15 -0.812 14.441 5.947 1.00 1.01 C ATOM 211 C CYS A 15 -1.944 13.604 5.355 1.00 0.95 C ATOM 212 O CYS A 15 -1.691 12.600 4.686 1.00 0.90 O ATOM 213 CB CYS A 15 -0.742 15.828 5.287 1.00 1.03 C ATOM 214 SG CYS A 15 -0.772 15.809 3.478 1.00 0.73 S ATOM 0 H CYS A 15 0.419 13.007 5.059 1.00 0.91 H new ATOM 0 HA CYS A 15 -1.005 14.593 7.009 1.00 1.01 H new ATOM 0 HB2 CYS A 15 -1.579 16.428 5.644 1.00 1.03 H new ATOM 0 HB3 CYS A 15 0.170 16.326 5.616 1.00 1.03 H new ATOM 0 HG CYS A 15 -0.711 17.028 3.030 1.00 0.73 H new ATOM 219 N ALA A 16 -3.186 14.050 5.571 1.00 1.06 N ATOM 220 CA ALA A 16 -4.390 13.441 5.016 1.00 1.14 C ATOM 221 C ALA A 16 -4.218 13.112 3.537 1.00 1.02 C ATOM 222 O ALA A 16 -4.592 12.025 3.097 1.00 1.24 O ATOM 223 CB ALA A 16 -5.582 14.387 5.190 1.00 1.22 C ATOM 0 H ALA A 16 -3.382 14.865 6.152 1.00 1.06 H new ATOM 0 HA ALA A 16 -4.571 12.512 5.556 1.00 1.14 H new ATOM 0 HB1 ALA A 16 -6.477 13.925 4.773 1.00 1.22 H new ATOM 0 HB2 ALA A 16 -5.737 14.586 6.250 1.00 1.22 H new ATOM 0 HB3 ALA A 16 -5.382 15.324 4.670 1.00 1.22 H new ATOM 229 N SER A 17 -3.656 14.056 2.774 1.00 0.79 N ATOM 230 CA SER A 17 -3.490 13.910 1.337 1.00 0.82 C ATOM 231 C SER A 17 -2.829 12.575 0.999 1.00 1.04 C ATOM 232 O SER A 17 -3.246 11.895 0.063 1.00 1.52 O ATOM 233 CB SER A 17 -2.716 15.090 0.738 1.00 0.90 C ATOM 234 OG SER A 17 -2.879 15.110 -0.668 1.00 2.48 O ATOM 0 H SER A 17 -3.306 14.940 3.142 1.00 0.79 H new ATOM 0 HA SER A 17 -4.481 13.915 0.884 1.00 0.82 H new ATOM 0 HB2 SER A 17 -3.073 16.026 1.167 1.00 0.90 H new ATOM 0 HB3 SER A 17 -1.659 15.007 0.989 1.00 0.90 H new ATOM 0 HG SER A 17 -2.383 15.867 -1.044 1.00 2.48 H new ATOM 240 N CYS A 18 -1.825 12.172 1.783 1.00 0.87 N ATOM 241 CA CYS A 18 -1.095 10.947 1.522 1.00 0.90 C ATOM 242 C CYS A 18 -2.003 9.716 1.521 1.00 0.90 C ATOM 243 O CYS A 18 -1.765 8.789 0.752 1.00 1.14 O ATOM 244 CB CYS A 18 0.036 10.805 2.534 1.00 0.96 C ATOM 245 SG CYS A 18 1.254 12.149 2.499 1.00 1.06 S ATOM 0 H CYS A 18 -1.505 12.685 2.605 1.00 0.87 H new ATOM 0 HA CYS A 18 -0.673 11.010 0.519 1.00 0.90 H new ATOM 0 HB2 CYS A 18 -0.394 10.748 3.534 1.00 0.96 H new ATOM 0 HB3 CYS A 18 0.551 9.861 2.354 1.00 0.96 H new ATOM 0 HG CYS A 18 1.954 12.072 1.406 1.00 1.06 H new ATOM 250 N VAL A 19 -3.036 9.700 2.366 1.00 0.78 N ATOM 251 CA VAL A 19 -3.917 8.552 2.523 1.00 0.80 C ATOM 252 C VAL A 19 -4.578 8.236 1.176 1.00 0.71 C ATOM 253 O VAL A 19 -4.306 7.212 0.544 1.00 0.66 O ATOM 254 CB VAL A 19 -4.938 8.852 3.641 1.00 0.85 C ATOM 255 CG1 VAL A 19 -5.900 7.688 3.890 1.00 0.94 C ATOM 256 CG2 VAL A 19 -4.217 9.153 4.960 1.00 0.93 C ATOM 0 H VAL A 19 -3.282 10.490 2.962 1.00 0.78 H new ATOM 0 HA VAL A 19 -3.360 7.664 2.822 1.00 0.80 H new ATOM 0 HB VAL A 19 -5.511 9.715 3.301 1.00 0.85 H new ATOM 0 HG11 VAL A 19 -6.595 7.955 4.686 1.00 0.94 H new ATOM 0 HG12 VAL A 19 -6.457 7.475 2.978 1.00 0.94 H new ATOM 0 HG13 VAL A 19 -5.334 6.804 4.184 1.00 0.94 H new ATOM 0 HG21 VAL A 19 -4.952 9.362 5.737 1.00 0.93 H new ATOM 0 HG22 VAL A 19 -3.616 8.291 5.251 1.00 0.93 H new ATOM 0 HG23 VAL A 19 -3.569 10.020 4.831 1.00 0.93 H new ATOM 266 N HIS A 20 -5.451 9.138 0.724 1.00 0.74 N ATOM 267 CA HIS A 20 -6.148 8.961 -0.533 1.00 0.64 C ATOM 268 C HIS A 20 -5.185 9.027 -1.714 1.00 0.51 C ATOM 269 O HIS A 20 -5.415 8.329 -2.692 1.00 0.57 O ATOM 270 CB HIS A 20 -7.347 9.907 -0.666 1.00 0.73 C ATOM 271 CG HIS A 20 -7.034 11.346 -0.975 1.00 0.68 C ATOM 272 ND1 HIS A 20 -7.629 12.117 -1.949 1.00 0.71 N ATOM 273 CD2 HIS A 20 -6.244 12.171 -0.228 1.00 1.18 C ATOM 274 CE1 HIS A 20 -7.184 13.377 -1.792 1.00 0.95 C ATOM 275 NE2 HIS A 20 -6.335 13.460 -0.759 1.00 1.38 N ATOM 0 H HIS A 20 -5.687 9.999 1.218 1.00 0.74 H new ATOM 0 HA HIS A 20 -6.572 7.957 -0.542 1.00 0.64 H new ATOM 0 HB2 HIS A 20 -7.999 9.523 -1.451 1.00 0.73 H new ATOM 0 HB3 HIS A 20 -7.914 9.873 0.265 1.00 0.73 H new ATOM 0 HD1 HIS A 20 -8.286 11.793 -2.659 1.00 0.71 H new ATOM 0 HD2 HIS A 20 -5.651 11.878 0.626 1.00 1.18 H new ATOM 0 HE1 HIS A 20 -7.473 14.210 -2.415 1.00 0.95 H new ATOM 283 N LYS A 21 -4.104 9.814 -1.647 1.00 0.52 N ATOM 284 CA LYS A 21 -3.071 9.791 -2.676 1.00 0.60 C ATOM 285 C LYS A 21 -2.568 8.360 -2.880 1.00 0.54 C ATOM 286 O LYS A 21 -2.558 7.884 -4.012 1.00 0.57 O ATOM 287 CB LYS A 21 -1.932 10.748 -2.302 1.00 0.81 C ATOM 288 CG LYS A 21 -0.723 10.732 -3.246 1.00 1.04 C ATOM 289 CD LYS A 21 0.281 11.790 -2.752 1.00 1.54 C ATOM 290 CE LYS A 21 1.671 11.664 -3.391 1.00 2.21 C ATOM 291 NZ LYS A 21 1.653 11.899 -4.849 1.00 2.96 N ATOM 0 H LYS A 21 -3.927 10.473 -0.889 1.00 0.52 H new ATOM 0 HA LYS A 21 -3.491 10.133 -3.622 1.00 0.60 H new ATOM 0 HB2 LYS A 21 -2.330 11.762 -2.265 1.00 0.81 H new ATOM 0 HB3 LYS A 21 -1.590 10.503 -1.296 1.00 0.81 H new ATOM 0 HG2 LYS A 21 -0.261 9.745 -3.257 1.00 1.04 H new ATOM 0 HG3 LYS A 21 -1.034 10.950 -4.268 1.00 1.04 H new ATOM 0 HD2 LYS A 21 -0.117 12.783 -2.962 1.00 1.54 H new ATOM 0 HD3 LYS A 21 0.379 11.708 -1.670 1.00 1.54 H new ATOM 0 HE2 LYS A 21 2.348 12.377 -2.921 1.00 2.21 H new ATOM 0 HE3 LYS A 21 2.068 10.669 -3.193 1.00 2.21 H new ATOM 0 HZ1 LYS A 21 2.616 11.802 -5.228 1.00 2.96 H new ATOM 0 HZ2 LYS A 21 1.029 11.203 -5.305 1.00 2.96 H new ATOM 0 HZ3 LYS A 21 1.301 12.858 -5.042 1.00 2.96 H new ATOM 305 N ILE A 22 -2.154 7.674 -1.810 1.00 0.52 N ATOM 306 CA ILE A 22 -1.713 6.287 -1.903 1.00 0.48 C ATOM 307 C ILE A 22 -2.807 5.463 -2.552 1.00 0.41 C ATOM 308 O ILE A 22 -2.604 4.925 -3.642 1.00 0.42 O ATOM 309 CB ILE A 22 -1.321 5.729 -0.521 1.00 0.58 C ATOM 310 CG1 ILE A 22 0.044 6.328 -0.188 1.00 0.70 C ATOM 311 CG2 ILE A 22 -1.218 4.193 -0.502 1.00 0.75 C ATOM 312 CD1 ILE A 22 0.414 6.218 1.290 1.00 0.81 C ATOM 0 H ILE A 22 -2.117 8.063 -0.868 1.00 0.52 H new ATOM 0 HA ILE A 22 -0.818 6.234 -2.522 1.00 0.48 H new ATOM 0 HB ILE A 22 -2.090 5.994 0.205 1.00 0.58 H new ATOM 0 HG12 ILE A 22 0.807 5.827 -0.784 1.00 0.70 H new ATOM 0 HG13 ILE A 22 0.052 7.378 -0.479 1.00 0.70 H new ATOM 0 HG21 ILE A 22 -0.939 3.859 0.497 1.00 0.75 H new ATOM 0 HG22 ILE A 22 -2.181 3.760 -0.773 1.00 0.75 H new ATOM 0 HG23 ILE A 22 -0.461 3.870 -1.217 1.00 0.75 H new ATOM 0 HD11 ILE A 22 1.395 6.663 1.454 1.00 0.81 H new ATOM 0 HD12 ILE A 22 -0.328 6.744 1.891 1.00 0.81 H new ATOM 0 HD13 ILE A 22 0.439 5.168 1.582 1.00 0.81 H new ATOM 324 N GLU A 23 -3.957 5.361 -1.883 1.00 0.47 N ATOM 325 CA GLU A 23 -4.981 4.447 -2.343 1.00 0.58 C ATOM 326 C GLU A 23 -5.359 4.764 -3.796 1.00 0.49 C ATOM 327 O GLU A 23 -5.223 3.903 -4.658 1.00 0.64 O ATOM 328 CB GLU A 23 -6.155 4.381 -1.354 1.00 0.88 C ATOM 329 CG GLU A 23 -7.254 3.524 -1.984 1.00 2.01 C ATOM 330 CD GLU A 23 -8.081 2.702 -0.996 1.00 2.62 C ATOM 331 OE1 GLU A 23 -8.643 3.317 -0.065 1.00 2.55 O ATOM 332 OE2 GLU A 23 -8.154 1.469 -1.214 1.00 4.22 O ATOM 0 H GLU A 23 -4.191 5.889 -1.043 1.00 0.47 H new ATOM 0 HA GLU A 23 -4.593 3.429 -2.362 1.00 0.58 H new ATOM 0 HB2 GLU A 23 -5.832 3.950 -0.406 1.00 0.88 H new ATOM 0 HB3 GLU A 23 -6.529 5.382 -1.138 1.00 0.88 H new ATOM 0 HG2 GLU A 23 -7.926 4.175 -2.543 1.00 2.01 H new ATOM 0 HG3 GLU A 23 -6.796 2.845 -2.704 1.00 2.01 H new ATOM 339 N SER A 24 -5.742 6.008 -4.087 1.00 0.41 N ATOM 340 CA SER A 24 -6.068 6.479 -5.429 1.00 0.46 C ATOM 341 C SER A 24 -4.957 6.152 -6.439 1.00 0.56 C ATOM 342 O SER A 24 -5.223 5.714 -7.558 1.00 0.75 O ATOM 343 CB SER A 24 -6.367 7.986 -5.381 1.00 0.54 C ATOM 344 OG SER A 24 -6.849 8.449 -6.628 1.00 0.80 O ATOM 0 H SER A 24 -5.836 6.733 -3.376 1.00 0.41 H new ATOM 0 HA SER A 24 -6.957 5.953 -5.776 1.00 0.46 H new ATOM 0 HB2 SER A 24 -7.104 8.189 -4.604 1.00 0.54 H new ATOM 0 HB3 SER A 24 -5.462 8.531 -5.112 1.00 0.54 H new ATOM 0 HG SER A 24 -7.033 9.410 -6.571 1.00 0.80 H new ATOM 350 N SER A 25 -3.693 6.367 -6.062 1.00 0.54 N ATOM 351 CA SER A 25 -2.585 6.175 -6.982 1.00 0.69 C ATOM 352 C SER A 25 -2.393 4.691 -7.257 1.00 0.80 C ATOM 353 O SER A 25 -1.931 4.324 -8.333 1.00 1.30 O ATOM 354 CB SER A 25 -1.297 6.799 -6.437 1.00 0.75 C ATOM 355 OG SER A 25 -0.265 6.694 -7.401 1.00 1.21 O ATOM 0 H SER A 25 -3.420 6.673 -5.128 1.00 0.54 H new ATOM 0 HA SER A 25 -2.822 6.680 -7.918 1.00 0.69 H new ATOM 0 HB2 SER A 25 -1.468 7.846 -6.187 1.00 0.75 H new ATOM 0 HB3 SER A 25 -1.000 6.296 -5.517 1.00 0.75 H new ATOM 0 HG SER A 25 0.405 6.048 -7.094 1.00 1.21 H new ATOM 361 N LEU A 26 -2.661 3.842 -6.269 1.00 0.58 N ATOM 362 CA LEU A 26 -2.639 2.408 -6.465 1.00 0.76 C ATOM 363 C LEU A 26 -3.850 1.926 -7.279 1.00 0.88 C ATOM 364 O LEU A 26 -3.688 1.148 -8.214 1.00 1.04 O ATOM 365 CB LEU A 26 -2.499 1.701 -5.118 1.00 0.89 C ATOM 366 CG LEU A 26 -1.031 1.426 -4.738 1.00 1.08 C ATOM 367 CD1 LEU A 26 -0.222 2.709 -4.516 1.00 2.64 C ATOM 368 CD2 LEU A 26 -0.978 0.584 -3.462 1.00 1.51 C ATOM 0 H LEU A 26 -2.897 4.132 -5.320 1.00 0.58 H new ATOM 0 HA LEU A 26 -1.766 2.145 -7.063 1.00 0.76 H new ATOM 0 HB2 LEU A 26 -2.962 2.311 -4.343 1.00 0.89 H new ATOM 0 HB3 LEU A 26 -3.044 0.758 -5.149 1.00 0.89 H new ATOM 0 HG LEU A 26 -0.584 0.893 -5.577 1.00 1.08 H new ATOM 0 HD11 LEU A 26 0.803 2.451 -4.251 1.00 2.64 H new ATOM 0 HD12 LEU A 26 -0.222 3.302 -5.430 1.00 2.64 H new ATOM 0 HD13 LEU A 26 -0.671 3.287 -3.708 1.00 2.64 H new ATOM 0 HD21 LEU A 26 0.061 0.391 -3.196 1.00 1.51 H new ATOM 0 HD22 LEU A 26 -1.466 1.123 -2.650 1.00 1.51 H new ATOM 0 HD23 LEU A 26 -1.491 -0.363 -3.629 1.00 1.51 H new ATOM 380 N THR A 27 -5.071 2.344 -6.944 1.00 0.83 N ATOM 381 CA THR A 27 -6.285 1.710 -7.453 1.00 0.78 C ATOM 382 C THR A 27 -6.409 1.755 -8.982 1.00 0.78 C ATOM 383 O THR A 27 -7.147 0.960 -9.562 1.00 1.05 O ATOM 384 CB THR A 27 -7.527 2.254 -6.738 1.00 0.82 C ATOM 385 OG1 THR A 27 -7.458 3.660 -6.680 1.00 2.12 O ATOM 386 CG2 THR A 27 -7.622 1.680 -5.320 1.00 1.55 C ATOM 0 H THR A 27 -5.245 3.128 -6.315 1.00 0.83 H new ATOM 0 HA THR A 27 -6.207 0.649 -7.218 1.00 0.78 H new ATOM 0 HB THR A 27 -8.415 1.955 -7.295 1.00 0.82 H new ATOM 0 HG1 THR A 27 -8.253 4.008 -6.224 1.00 2.12 H new ATOM 0 HG21 THR A 27 -8.509 2.076 -4.826 1.00 1.55 H new ATOM 0 HG22 THR A 27 -7.690 0.593 -5.371 1.00 1.55 H new ATOM 0 HG23 THR A 27 -6.735 1.962 -4.753 1.00 1.55 H new ATOM 394 N LYS A 28 -5.668 2.639 -9.655 1.00 0.94 N ATOM 395 CA LYS A 28 -5.515 2.600 -11.105 1.00 0.93 C ATOM 396 C LYS A 28 -5.053 1.230 -11.627 1.00 0.94 C ATOM 397 O LYS A 28 -5.547 0.782 -12.664 1.00 1.09 O ATOM 398 CB LYS A 28 -4.601 3.735 -11.581 1.00 1.02 C ATOM 399 CG LYS A 28 -3.235 3.789 -10.883 1.00 1.43 C ATOM 400 CD LYS A 28 -2.054 3.644 -11.850 1.00 2.73 C ATOM 401 CE LYS A 28 -0.750 3.821 -11.055 1.00 4.12 C ATOM 402 NZ LYS A 28 0.456 3.705 -11.898 1.00 5.35 N ATOM 0 H LYS A 28 -5.159 3.401 -9.207 1.00 0.94 H new ATOM 0 HA LYS A 28 -6.505 2.755 -11.535 1.00 0.93 H new ATOM 0 HB2 LYS A 28 -4.442 3.630 -12.654 1.00 1.02 H new ATOM 0 HB3 LYS A 28 -5.112 4.685 -11.425 1.00 1.02 H new ATOM 0 HG2 LYS A 28 -3.145 4.735 -10.349 1.00 1.43 H new ATOM 0 HG3 LYS A 28 -3.184 2.996 -10.137 1.00 1.43 H new ATOM 0 HD2 LYS A 28 -2.075 2.666 -12.330 1.00 2.73 H new ATOM 0 HD3 LYS A 28 -2.119 4.390 -12.642 1.00 2.73 H new ATOM 0 HE2 LYS A 28 -0.756 4.797 -10.570 1.00 4.12 H new ATOM 0 HE3 LYS A 28 -0.708 3.072 -10.264 1.00 4.12 H new ATOM 0 HZ1 LYS A 28 1.304 3.833 -11.310 1.00 5.35 H new ATOM 0 HZ2 LYS A 28 0.480 2.765 -12.341 1.00 5.35 H new ATOM 0 HZ3 LYS A 28 0.434 4.436 -12.638 1.00 5.35 H new ATOM 416 N HIS A 29 -4.136 0.537 -10.935 1.00 0.91 N ATOM 417 CA HIS A 29 -3.737 -0.806 -11.356 1.00 1.02 C ATOM 418 C HIS A 29 -4.962 -1.726 -11.327 1.00 1.27 C ATOM 419 O HIS A 29 -6.010 -1.343 -10.807 1.00 2.50 O ATOM 420 CB HIS A 29 -2.629 -1.377 -10.459 1.00 1.04 C ATOM 421 CG HIS A 29 -1.427 -0.494 -10.235 1.00 1.02 C ATOM 422 ND1 HIS A 29 -0.370 -0.314 -11.099 1.00 1.75 N ATOM 423 CD2 HIS A 29 -1.080 0.087 -9.044 1.00 0.98 C ATOM 424 CE1 HIS A 29 0.566 0.394 -10.441 1.00 1.66 C ATOM 425 NE2 HIS A 29 0.168 0.688 -9.197 1.00 1.20 N ATOM 0 H HIS A 29 -3.667 0.880 -10.097 1.00 0.91 H new ATOM 0 HA HIS A 29 -3.338 -0.744 -12.369 1.00 1.02 H new ATOM 0 HB2 HIS A 29 -3.064 -1.615 -9.488 1.00 1.04 H new ATOM 0 HB3 HIS A 29 -2.287 -2.316 -10.894 1.00 1.04 H new ATOM 0 HD2 HIS A 29 -1.672 0.080 -8.141 1.00 0.98 H new ATOM 0 HE1 HIS A 29 1.516 0.687 -10.862 1.00 1.66 H new ATOM 0 HE2 HIS A 29 0.674 1.239 -8.504 1.00 1.20 H new ATOM 433 N ARG A 30 -4.862 -2.923 -11.906 1.00 0.86 N ATOM 434 CA ARG A 30 -5.960 -3.890 -11.928 1.00 0.94 C ATOM 435 C ARG A 30 -5.656 -5.118 -11.065 1.00 0.95 C ATOM 436 O ARG A 30 -6.578 -5.839 -10.701 1.00 1.76 O ATOM 437 CB ARG A 30 -6.269 -4.296 -13.382 1.00 1.23 C ATOM 438 CG ARG A 30 -7.438 -3.548 -14.046 1.00 1.98 C ATOM 439 CD ARG A 30 -7.225 -2.044 -14.310 1.00 3.11 C ATOM 440 NE ARG A 30 -7.445 -1.200 -13.122 1.00 4.33 N ATOM 441 CZ ARG A 30 -8.593 -1.058 -12.442 1.00 5.36 C ATOM 442 NH1 ARG A 30 -9.732 -1.537 -12.953 1.00 5.49 N ATOM 443 NH2 ARG A 30 -8.603 -0.445 -11.257 1.00 6.90 N ATOM 0 H ARG A 30 -4.016 -3.250 -12.374 1.00 0.86 H new ATOM 0 HA ARG A 30 -6.841 -3.414 -11.498 1.00 0.94 H new ATOM 0 HB2 ARG A 30 -5.373 -4.139 -13.982 1.00 1.23 H new ATOM 0 HB3 ARG A 30 -6.485 -5.364 -13.404 1.00 1.23 H new ATOM 0 HG2 ARG A 30 -7.660 -4.034 -14.996 1.00 1.98 H new ATOM 0 HG3 ARG A 30 -8.320 -3.663 -13.416 1.00 1.98 H new ATOM 0 HD2 ARG A 30 -6.209 -1.888 -14.674 1.00 3.11 H new ATOM 0 HD3 ARG A 30 -7.900 -1.724 -15.103 1.00 3.11 H new ATOM 0 HE ARG A 30 -6.643 -0.670 -12.782 1.00 4.33 H new ATOM 0 HH11 ARG A 30 -9.727 -2.009 -13.857 1.00 5.49 H new ATOM 0 HH12 ARG A 30 -10.606 -1.431 -12.438 1.00 5.49 H new ATOM 0 HH21 ARG A 30 -7.735 -0.081 -10.864 1.00 6.90 H new ATOM 0 HH22 ARG A 30 -9.479 -0.340 -10.745 1.00 6.90 H new ATOM 457 N GLY A 31 -4.387 -5.366 -10.729 1.00 0.74 N ATOM 458 CA GLY A 31 -4.037 -6.476 -9.854 1.00 0.74 C ATOM 459 C GLY A 31 -4.420 -6.203 -8.403 1.00 0.77 C ATOM 460 O GLY A 31 -4.590 -7.142 -7.630 1.00 1.15 O ATOM 0 H GLY A 31 -3.592 -4.813 -11.050 1.00 0.74 H new ATOM 0 HA2 GLY A 31 -4.539 -7.380 -10.197 1.00 0.74 H new ATOM 0 HA3 GLY A 31 -2.965 -6.663 -9.917 1.00 0.74 H new ATOM 464 N ILE A 32 -4.559 -4.930 -8.021 1.00 0.74 N ATOM 465 CA ILE A 32 -5.032 -4.580 -6.690 1.00 0.75 C ATOM 466 C ILE A 32 -6.554 -4.733 -6.624 1.00 0.77 C ATOM 467 O ILE A 32 -7.239 -4.670 -7.644 1.00 1.04 O ATOM 468 CB ILE A 32 -4.575 -3.175 -6.249 1.00 0.87 C ATOM 469 CG1 ILE A 32 -5.541 -2.022 -6.562 1.00 1.81 C ATOM 470 CG2 ILE A 32 -3.123 -2.871 -6.637 1.00 1.56 C ATOM 471 CD1 ILE A 32 -5.787 -1.802 -8.048 1.00 3.29 C ATOM 0 H ILE A 32 -4.350 -4.130 -8.618 1.00 0.74 H new ATOM 0 HA ILE A 32 -4.580 -5.272 -5.980 1.00 0.75 H new ATOM 0 HB ILE A 32 -4.607 -3.230 -5.161 1.00 0.87 H new ATOM 0 HG12 ILE A 32 -6.495 -2.218 -6.072 1.00 1.81 H new ATOM 0 HG13 ILE A 32 -5.144 -1.103 -6.131 1.00 1.81 H new ATOM 0 HG21 ILE A 32 -2.859 -1.869 -6.300 1.00 1.56 H new ATOM 0 HG22 ILE A 32 -2.461 -3.598 -6.167 1.00 1.56 H new ATOM 0 HG23 ILE A 32 -3.016 -2.930 -7.720 1.00 1.56 H new ATOM 0 HD11 ILE A 32 -6.479 -0.971 -8.183 1.00 3.29 H new ATOM 0 HD12 ILE A 32 -4.843 -1.572 -8.543 1.00 3.29 H new ATOM 0 HD13 ILE A 32 -6.215 -2.705 -8.484 1.00 3.29 H new ATOM 483 N LEU A 33 -7.073 -4.896 -5.410 1.00 0.88 N ATOM 484 CA LEU A 33 -8.495 -4.960 -5.112 1.00 1.04 C ATOM 485 C LEU A 33 -8.869 -3.816 -4.167 1.00 1.07 C ATOM 486 O LEU A 33 -9.869 -3.140 -4.400 1.00 1.31 O ATOM 487 CB LEU A 33 -8.839 -6.324 -4.498 1.00 1.12 C ATOM 488 CG LEU A 33 -8.482 -7.520 -5.400 1.00 1.22 C ATOM 489 CD1 LEU A 33 -8.642 -8.823 -4.609 1.00 1.73 C ATOM 490 CD2 LEU A 33 -9.359 -7.572 -6.656 1.00 1.98 C ATOM 0 H LEU A 33 -6.490 -4.990 -4.578 1.00 0.88 H new ATOM 0 HA LEU A 33 -9.071 -4.850 -6.031 1.00 1.04 H new ATOM 0 HB2 LEU A 33 -8.314 -6.427 -3.549 1.00 1.12 H new ATOM 0 HB3 LEU A 33 -9.906 -6.354 -4.277 1.00 1.12 H new ATOM 0 HG LEU A 33 -7.448 -7.398 -5.722 1.00 1.22 H new ATOM 0 HD11 LEU A 33 -8.389 -9.670 -5.247 1.00 1.73 H new ATOM 0 HD12 LEU A 33 -7.977 -8.808 -3.746 1.00 1.73 H new ATOM 0 HD13 LEU A 33 -9.674 -8.919 -4.271 1.00 1.73 H new ATOM 0 HD21 LEU A 33 -9.074 -8.431 -7.264 1.00 1.98 H new ATOM 0 HD22 LEU A 33 -10.405 -7.665 -6.365 1.00 1.98 H new ATOM 0 HD23 LEU A 33 -9.223 -6.657 -7.233 1.00 1.98 H new ATOM 502 N TYR A 34 -8.086 -3.593 -3.103 1.00 0.89 N ATOM 503 CA TYR A 34 -8.359 -2.546 -2.122 1.00 0.91 C ATOM 504 C TYR A 34 -7.049 -2.159 -1.445 1.00 0.71 C ATOM 505 O TYR A 34 -6.164 -3.010 -1.383 1.00 0.53 O ATOM 506 CB TYR A 34 -9.337 -3.100 -1.074 1.00 0.97 C ATOM 507 CG TYR A 34 -9.943 -2.111 -0.092 1.00 0.98 C ATOM 508 CD1 TYR A 34 -10.122 -0.753 -0.420 1.00 2.14 C ATOM 509 CD2 TYR A 34 -10.326 -2.566 1.182 1.00 1.53 C ATOM 510 CE1 TYR A 34 -10.454 0.172 0.583 1.00 2.17 C ATOM 511 CE2 TYR A 34 -10.706 -1.645 2.173 1.00 1.60 C ATOM 512 CZ TYR A 34 -10.708 -0.269 1.889 1.00 1.19 C ATOM 513 OH TYR A 34 -10.868 0.634 2.896 1.00 1.46 O ATOM 0 H TYR A 34 -7.246 -4.136 -2.902 1.00 0.89 H new ATOM 0 HA TYR A 34 -8.794 -1.671 -2.605 1.00 0.91 H new ATOM 0 HB2 TYR A 34 -10.153 -3.593 -1.602 1.00 0.97 H new ATOM 0 HB3 TYR A 34 -8.818 -3.868 -0.501 1.00 0.97 H new ATOM 0 HD1 TYR A 34 -10.004 -0.424 -1.442 1.00 2.14 H new ATOM 0 HD2 TYR A 34 -10.328 -3.624 1.399 1.00 1.53 H new ATOM 0 HE1 TYR A 34 -10.514 1.224 0.348 1.00 2.17 H new ATOM 0 HE2 TYR A 34 -10.996 -1.995 3.153 1.00 1.60 H new ATOM 0 HH TYR A 34 -11.038 0.160 3.737 1.00 1.46 H new ATOM 523 N CYS A 35 -6.922 -0.928 -0.933 1.00 0.85 N ATOM 524 CA CYS A 35 -5.740 -0.448 -0.229 1.00 0.84 C ATOM 525 C CYS A 35 -6.165 0.230 1.082 1.00 1.12 C ATOM 526 O CYS A 35 -6.187 1.451 1.194 1.00 2.31 O ATOM 527 CB CYS A 35 -4.980 0.492 -1.167 1.00 0.92 C ATOM 528 SG CYS A 35 -3.437 1.027 -0.409 1.00 2.77 S ATOM 0 H CYS A 35 -7.659 -0.227 -1.002 1.00 0.85 H new ATOM 0 HA CYS A 35 -5.074 -1.266 0.044 1.00 0.84 H new ATOM 0 HB2 CYS A 35 -4.773 -0.015 -2.109 1.00 0.92 H new ATOM 0 HB3 CYS A 35 -5.597 1.359 -1.401 1.00 0.92 H new ATOM 0 HG CYS A 35 -3.683 1.544 0.758 1.00 2.77 H new ATOM 534 N SER A 36 -6.509 -0.559 2.110 1.00 0.74 N ATOM 535 CA SER A 36 -7.159 -0.059 3.319 1.00 1.05 C ATOM 536 C SER A 36 -6.124 0.625 4.221 1.00 1.00 C ATOM 537 O SER A 36 -5.523 0.015 5.118 1.00 1.13 O ATOM 538 CB SER A 36 -7.939 -1.177 4.033 1.00 1.35 C ATOM 539 OG SER A 36 -7.984 -2.345 3.236 1.00 3.43 O ATOM 0 H SER A 36 -6.341 -1.565 2.121 1.00 0.74 H new ATOM 0 HA SER A 36 -7.899 0.694 3.048 1.00 1.05 H new ATOM 0 HB2 SER A 36 -7.468 -1.402 4.990 1.00 1.35 H new ATOM 0 HB3 SER A 36 -8.953 -0.839 4.249 1.00 1.35 H new ATOM 0 HG SER A 36 -8.748 -2.294 2.624 1.00 3.43 H new ATOM 545 N VAL A 37 -5.911 1.899 3.904 1.00 0.96 N ATOM 546 CA VAL A 37 -4.897 2.793 4.429 1.00 0.86 C ATOM 547 C VAL A 37 -5.389 3.548 5.668 1.00 0.94 C ATOM 548 O VAL A 37 -6.537 3.983 5.699 1.00 1.04 O ATOM 549 CB VAL A 37 -4.430 3.698 3.270 1.00 1.10 C ATOM 550 CG1 VAL A 37 -5.574 4.496 2.626 1.00 2.67 C ATOM 551 CG2 VAL A 37 -3.299 4.634 3.698 1.00 1.84 C ATOM 0 H VAL A 37 -6.497 2.367 3.213 1.00 0.96 H new ATOM 0 HA VAL A 37 -4.034 2.236 4.795 1.00 0.86 H new ATOM 0 HB VAL A 37 -4.047 3.019 2.508 1.00 1.10 H new ATOM 0 HG11 VAL A 37 -5.178 5.112 1.818 1.00 2.67 H new ATOM 0 HG12 VAL A 37 -6.318 3.807 2.226 1.00 2.67 H new ATOM 0 HG13 VAL A 37 -6.038 5.136 3.376 1.00 2.67 H new ATOM 0 HG21 VAL A 37 -3.000 5.254 2.853 1.00 1.84 H new ATOM 0 HG22 VAL A 37 -3.643 5.272 4.512 1.00 1.84 H new ATOM 0 HG23 VAL A 37 -2.447 4.044 4.035 1.00 1.84 H new ATOM 561 N ALA A 38 -4.546 3.703 6.706 1.00 0.96 N ATOM 562 CA ALA A 38 -4.892 4.541 7.845 1.00 1.08 C ATOM 563 C ALA A 38 -3.658 5.189 8.461 1.00 1.08 C ATOM 564 O ALA A 38 -2.763 4.479 8.925 1.00 1.14 O ATOM 565 CB ALA A 38 -5.583 3.707 8.918 1.00 1.13 C ATOM 0 H ALA A 38 -3.630 3.259 6.770 1.00 0.96 H new ATOM 0 HA ALA A 38 -5.558 5.323 7.480 1.00 1.08 H new ATOM 0 HB1 ALA A 38 -5.838 4.343 9.766 1.00 1.13 H new ATOM 0 HB2 ALA A 38 -6.492 3.268 8.508 1.00 1.13 H new ATOM 0 HB3 ALA A 38 -4.914 2.913 9.249 1.00 1.13 H new ATOM 571 N LEU A 39 -3.667 6.525 8.560 1.00 1.13 N ATOM 572 CA LEU A 39 -2.829 7.280 9.487 1.00 1.36 C ATOM 573 C LEU A 39 -2.918 6.662 10.879 1.00 1.48 C ATOM 574 O LEU A 39 -1.896 6.468 11.530 1.00 1.61 O ATOM 575 CB LEU A 39 -3.294 8.743 9.553 1.00 2.03 C ATOM 576 CG LEU A 39 -2.931 9.553 8.303 1.00 0.83 C ATOM 577 CD1 LEU A 39 -3.790 10.820 8.236 1.00 2.16 C ATOM 578 CD2 LEU A 39 -1.456 9.966 8.308 1.00 1.92 C ATOM 0 H LEU A 39 -4.268 7.117 7.987 1.00 1.13 H new ATOM 0 HA LEU A 39 -1.798 7.247 9.134 1.00 1.36 H new ATOM 0 HB2 LEU A 39 -4.375 8.767 9.692 1.00 2.03 H new ATOM 0 HB3 LEU A 39 -2.850 9.219 10.427 1.00 2.03 H new ATOM 0 HG LEU A 39 -3.116 8.918 7.437 1.00 0.83 H new ATOM 0 HD11 LEU A 39 -3.527 11.391 7.346 1.00 2.16 H new ATOM 0 HD12 LEU A 39 -4.843 10.543 8.192 1.00 2.16 H new ATOM 0 HD13 LEU A 39 -3.611 11.428 9.123 1.00 2.16 H new ATOM 0 HD21 LEU A 39 -1.235 10.538 7.407 1.00 1.92 H new ATOM 0 HD22 LEU A 39 -1.253 10.579 9.186 1.00 1.92 H new ATOM 0 HD23 LEU A 39 -0.829 9.075 8.335 1.00 1.92 H new ATOM 590 N ALA A 40 -4.138 6.313 11.303 1.00 1.58 N ATOM 591 CA ALA A 40 -4.424 5.738 12.612 1.00 1.89 C ATOM 592 C ALA A 40 -3.506 4.570 12.986 1.00 1.79 C ATOM 593 O ALA A 40 -3.329 4.312 14.173 1.00 2.38 O ATOM 594 CB ALA A 40 -5.893 5.313 12.686 1.00 2.11 C ATOM 0 H ALA A 40 -4.972 6.428 10.727 1.00 1.58 H new ATOM 0 HA ALA A 40 -4.225 6.520 13.345 1.00 1.89 H new ATOM 0 HB1 ALA A 40 -6.099 4.884 13.667 1.00 2.11 H new ATOM 0 HB2 ALA A 40 -6.532 6.182 12.529 1.00 2.11 H new ATOM 0 HB3 ALA A 40 -6.096 4.569 11.915 1.00 2.11 H new ATOM 600 N THR A 41 -2.923 3.863 12.007 1.00 1.17 N ATOM 601 CA THR A 41 -1.877 2.890 12.302 1.00 0.96 C ATOM 602 C THR A 41 -0.739 2.926 11.277 1.00 0.94 C ATOM 603 O THR A 41 -0.028 1.937 11.116 1.00 1.37 O ATOM 604 CB THR A 41 -2.502 1.509 12.531 1.00 1.24 C ATOM 605 OG1 THR A 41 -1.538 0.615 13.045 1.00 3.05 O ATOM 606 CG2 THR A 41 -3.146 0.879 11.306 1.00 1.84 C ATOM 0 H THR A 41 -3.158 3.949 11.018 1.00 1.17 H new ATOM 0 HA THR A 41 -1.383 3.162 13.235 1.00 0.96 H new ATOM 0 HB THR A 41 -3.307 1.686 13.244 1.00 1.24 H new ATOM 0 HG1 THR A 41 -0.684 0.755 12.585 1.00 3.05 H new ATOM 0 HG21 THR A 41 -3.558 -0.094 11.572 1.00 1.84 H new ATOM 0 HG22 THR A 41 -3.945 1.525 10.942 1.00 1.84 H new ATOM 0 HG23 THR A 41 -2.397 0.754 10.524 1.00 1.84 H new ATOM 614 N ASN A 42 -0.554 4.076 10.616 1.00 0.69 N ATOM 615 CA ASN A 42 0.438 4.338 9.572 1.00 0.71 C ATOM 616 C ASN A 42 0.597 3.174 8.603 1.00 0.74 C ATOM 617 O ASN A 42 1.730 2.818 8.287 1.00 1.10 O ATOM 618 CB ASN A 42 1.801 4.706 10.182 1.00 0.82 C ATOM 619 CG ASN A 42 1.685 5.748 11.278 1.00 1.05 C ATOM 620 OD1 ASN A 42 2.254 5.587 12.353 1.00 1.80 O ATOM 621 ND2 ASN A 42 0.912 6.798 11.020 1.00 1.44 N ATOM 0 H ASN A 42 -1.129 4.896 10.809 1.00 0.69 H new ATOM 0 HA ASN A 42 0.061 5.187 9.001 1.00 0.71 H new ATOM 0 HB2 ASN A 42 2.268 3.808 10.587 1.00 0.82 H new ATOM 0 HB3 ASN A 42 2.457 5.081 9.397 1.00 0.82 H new ATOM 0 HD21 ASN A 42 0.771 7.515 11.732 1.00 1.44 H new ATOM 0 HD22 ASN A 42 0.460 6.887 10.110 1.00 1.44 H new ATOM 628 N LYS A 43 -0.504 2.591 8.119 1.00 0.60 N ATOM 629 CA LYS A 43 -0.438 1.360 7.341 1.00 0.62 C ATOM 630 C LYS A 43 -1.278 1.453 6.092 1.00 0.54 C ATOM 631 O LYS A 43 -2.084 2.376 5.966 1.00 0.59 O ATOM 632 CB LYS A 43 -0.783 0.134 8.215 1.00 0.82 C ATOM 633 CG LYS A 43 -2.160 -0.538 8.032 1.00 1.51 C ATOM 634 CD LYS A 43 -3.364 0.421 8.019 1.00 1.03 C ATOM 635 CE LYS A 43 -4.641 -0.270 8.503 1.00 1.41 C ATOM 636 NZ LYS A 43 -5.087 -1.293 7.537 1.00 2.29 N ATOM 0 H LYS A 43 -1.447 2.954 8.254 1.00 0.60 H new ATOM 0 HA LYS A 43 0.589 1.220 7.004 1.00 0.62 H new ATOM 0 HB2 LYS A 43 -0.019 -0.623 8.040 1.00 0.82 H new ATOM 0 HB3 LYS A 43 -0.698 0.437 9.259 1.00 0.82 H new ATOM 0 HG2 LYS A 43 -2.152 -1.097 7.096 1.00 1.51 H new ATOM 0 HG3 LYS A 43 -2.302 -1.262 8.834 1.00 1.51 H new ATOM 0 HD2 LYS A 43 -3.152 1.281 8.655 1.00 1.03 H new ATOM 0 HD3 LYS A 43 -3.516 0.801 7.009 1.00 1.03 H new ATOM 0 HE2 LYS A 43 -4.463 -0.734 9.473 1.00 1.41 H new ATOM 0 HE3 LYS A 43 -5.428 0.470 8.644 1.00 1.41 H new ATOM 0 HZ1 LYS A 43 -6.022 -1.651 7.818 1.00 2.29 H new ATOM 0 HZ2 LYS A 43 -5.148 -0.871 6.588 1.00 2.29 H new ATOM 0 HZ3 LYS A 43 -4.405 -2.078 7.523 1.00 2.29 H new ATOM 650 N ALA A 44 -1.122 0.446 5.231 1.00 0.59 N ATOM 651 CA ALA A 44 -2.020 0.144 4.139 1.00 0.59 C ATOM 652 C ALA A 44 -2.172 -1.363 4.005 1.00 0.53 C ATOM 653 O ALA A 44 -1.177 -2.088 4.008 1.00 0.59 O ATOM 654 CB ALA A 44 -1.528 0.804 2.860 1.00 0.89 C ATOM 0 H ALA A 44 -0.334 -0.200 5.286 1.00 0.59 H new ATOM 0 HA ALA A 44 -3.010 0.552 4.343 1.00 0.59 H new ATOM 0 HB1 ALA A 44 -2.211 0.570 2.044 1.00 0.89 H new ATOM 0 HB2 ALA A 44 -1.487 1.884 3.001 1.00 0.89 H new ATOM 0 HB3 ALA A 44 -0.533 0.431 2.618 1.00 0.89 H new ATOM 660 N HIS A 45 -3.433 -1.803 3.937 1.00 0.67 N ATOM 661 CA HIS A 45 -3.847 -3.175 3.720 1.00 0.68 C ATOM 662 C HIS A 45 -4.173 -3.329 2.244 1.00 0.72 C ATOM 663 O HIS A 45 -5.258 -2.964 1.804 1.00 0.93 O ATOM 664 CB HIS A 45 -5.047 -3.460 4.631 1.00 0.77 C ATOM 665 CG HIS A 45 -5.625 -4.850 4.550 1.00 0.83 C ATOM 666 ND1 HIS A 45 -5.620 -5.799 5.550 1.00 0.96 N ATOM 667 CD2 HIS A 45 -6.424 -5.318 3.544 1.00 0.84 C ATOM 668 CE1 HIS A 45 -6.384 -6.823 5.136 1.00 0.99 C ATOM 669 NE2 HIS A 45 -6.894 -6.583 3.916 1.00 0.96 N ATOM 0 H HIS A 45 -4.227 -1.171 4.038 1.00 0.67 H new ATOM 0 HA HIS A 45 -3.069 -3.896 3.969 1.00 0.68 H new ATOM 0 HB2 HIS A 45 -4.747 -3.272 5.662 1.00 0.77 H new ATOM 0 HB3 HIS A 45 -5.836 -2.746 4.393 1.00 0.77 H new ATOM 0 HD1 HIS A 45 -5.127 -5.735 6.441 1.00 0.96 H new ATOM 0 HD2 HIS A 45 -6.653 -4.802 2.623 1.00 0.84 H new ATOM 0 HE1 HIS A 45 -6.565 -7.721 5.708 1.00 0.99 H new ATOM 677 N ILE A 46 -3.222 -3.845 1.473 1.00 0.67 N ATOM 678 CA ILE A 46 -3.413 -4.099 0.066 1.00 0.68 C ATOM 679 C ILE A 46 -4.023 -5.493 -0.038 1.00 0.66 C ATOM 680 O ILE A 46 -3.363 -6.482 0.281 1.00 1.05 O ATOM 681 CB ILE A 46 -2.102 -3.926 -0.722 1.00 0.77 C ATOM 682 CG1 ILE A 46 -1.685 -2.447 -0.831 1.00 1.34 C ATOM 683 CG2 ILE A 46 -2.303 -4.437 -2.153 1.00 1.55 C ATOM 684 CD1 ILE A 46 -1.178 -1.835 0.476 1.00 1.52 C ATOM 0 H ILE A 46 -2.295 -4.097 1.817 1.00 0.67 H new ATOM 0 HA ILE A 46 -4.088 -3.376 -0.391 1.00 0.68 H new ATOM 0 HB ILE A 46 -1.331 -4.483 -0.189 1.00 0.77 H new ATOM 0 HG12 ILE A 46 -0.905 -2.357 -1.587 1.00 1.34 H new ATOM 0 HG13 ILE A 46 -2.538 -1.867 -1.183 1.00 1.34 H new ATOM 0 HG21 ILE A 46 -1.377 -4.317 -2.716 1.00 1.55 H new ATOM 0 HG22 ILE A 46 -2.578 -5.491 -2.128 1.00 1.55 H new ATOM 0 HG23 ILE A 46 -3.097 -3.867 -2.635 1.00 1.55 H new ATOM 0 HD11 ILE A 46 -0.907 -0.793 0.308 1.00 1.52 H new ATOM 0 HD12 ILE A 46 -1.962 -1.889 1.231 1.00 1.52 H new ATOM 0 HD13 ILE A 46 -0.304 -2.387 0.821 1.00 1.52 H new ATOM 696 N LYS A 47 -5.280 -5.566 -0.481 1.00 0.46 N ATOM 697 CA LYS A 47 -5.834 -6.771 -1.074 1.00 0.66 C ATOM 698 C LYS A 47 -5.515 -6.694 -2.562 1.00 0.70 C ATOM 699 O LYS A 47 -5.666 -5.624 -3.156 1.00 0.75 O ATOM 700 CB LYS A 47 -7.348 -6.846 -0.836 1.00 0.85 C ATOM 701 CG LYS A 47 -7.697 -7.522 0.494 1.00 0.82 C ATOM 702 CD LYS A 47 -7.646 -9.053 0.338 1.00 1.59 C ATOM 703 CE LYS A 47 -8.146 -9.755 1.605 1.00 1.75 C ATOM 704 NZ LYS A 47 -8.085 -11.226 1.468 1.00 2.72 N ATOM 0 H LYS A 47 -5.938 -4.788 -0.436 1.00 0.46 H new ATOM 0 HA LYS A 47 -5.406 -7.669 -0.628 1.00 0.66 H new ATOM 0 HB2 LYS A 47 -7.766 -5.839 -0.849 1.00 0.85 H new ATOM 0 HB3 LYS A 47 -7.815 -7.396 -1.653 1.00 0.85 H new ATOM 0 HG2 LYS A 47 -6.998 -7.204 1.267 1.00 0.82 H new ATOM 0 HG3 LYS A 47 -8.691 -7.214 0.817 1.00 0.82 H new ATOM 0 HD2 LYS A 47 -8.256 -9.355 -0.513 1.00 1.59 H new ATOM 0 HD3 LYS A 47 -6.624 -9.366 0.125 1.00 1.59 H new ATOM 0 HE2 LYS A 47 -7.543 -9.442 2.458 1.00 1.75 H new ATOM 0 HE3 LYS A 47 -9.172 -9.450 1.811 1.00 1.75 H new ATOM 0 HZ1 LYS A 47 -8.317 -11.669 2.380 1.00 2.72 H new ATOM 0 HZ2 LYS A 47 -8.769 -11.536 0.748 1.00 2.72 H new ATOM 0 HZ3 LYS A 47 -7.127 -11.508 1.179 1.00 2.72 H new ATOM 718 N TYR A 48 -5.049 -7.796 -3.149 1.00 1.06 N ATOM 719 CA TYR A 48 -4.529 -7.847 -4.504 1.00 1.10 C ATOM 720 C TYR A 48 -4.495 -9.296 -4.975 1.00 1.05 C ATOM 721 O TYR A 48 -4.760 -10.201 -4.189 1.00 1.35 O ATOM 722 CB TYR A 48 -3.125 -7.216 -4.573 1.00 1.16 C ATOM 723 CG TYR A 48 -1.994 -7.969 -3.876 1.00 1.11 C ATOM 724 CD1 TYR A 48 -2.036 -8.223 -2.491 1.00 1.81 C ATOM 725 CD2 TYR A 48 -0.834 -8.311 -4.598 1.00 1.83 C ATOM 726 CE1 TYR A 48 -0.961 -8.861 -1.853 1.00 1.85 C ATOM 727 CE2 TYR A 48 0.281 -8.856 -3.936 1.00 1.85 C ATOM 728 CZ TYR A 48 0.209 -9.158 -2.569 1.00 1.18 C ATOM 729 OH TYR A 48 1.275 -9.728 -1.941 1.00 1.32 O ATOM 0 H TYR A 48 -5.025 -8.700 -2.677 1.00 1.06 H new ATOM 0 HA TYR A 48 -5.182 -7.273 -5.161 1.00 1.10 H new ATOM 0 HB2 TYR A 48 -2.857 -7.098 -5.623 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -3.181 -6.216 -4.144 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -2.901 -7.925 -1.917 1.00 1.81 H new ATOM 0 HD2 TYR A 48 -0.800 -8.154 -5.666 1.00 1.83 H new ATOM 0 HE1 TYR A 48 -1.034 -9.124 -0.808 1.00 1.85 H new ATOM 0 HE2 TYR A 48 1.194 -9.042 -4.482 1.00 1.85 H new ATOM 0 HH TYR A 48 1.999 -9.866 -2.586 1.00 1.32 H new ATOM 739 N ASP A 49 -4.136 -9.503 -6.242 1.00 0.81 N ATOM 740 CA ASP A 49 -3.700 -10.782 -6.773 1.00 0.74 C ATOM 741 C ASP A 49 -2.180 -10.688 -6.985 1.00 0.76 C ATOM 742 O ASP A 49 -1.729 -9.755 -7.654 1.00 0.86 O ATOM 743 CB ASP A 49 -4.449 -11.068 -8.077 1.00 0.88 C ATOM 744 CG ASP A 49 -3.919 -12.319 -8.760 1.00 1.85 C ATOM 745 OD1 ASP A 49 -2.718 -12.305 -9.113 1.00 3.09 O ATOM 746 OD2 ASP A 49 -4.716 -13.263 -8.923 1.00 2.72 O ATOM 0 H ASP A 49 -4.143 -8.761 -6.942 1.00 0.81 H new ATOM 0 HA ASP A 49 -3.917 -11.605 -6.093 1.00 0.74 H new ATOM 0 HB2 ASP A 49 -5.512 -11.188 -7.869 1.00 0.88 H new ATOM 0 HB3 ASP A 49 -4.351 -10.216 -8.749 1.00 0.88 H new ATOM 751 N PRO A 50 -1.387 -11.609 -6.409 1.00 0.79 N ATOM 752 CA PRO A 50 0.066 -11.520 -6.381 1.00 0.91 C ATOM 753 C PRO A 50 0.725 -11.839 -7.726 1.00 1.10 C ATOM 754 O PRO A 50 1.944 -11.720 -7.841 1.00 1.77 O ATOM 755 CB PRO A 50 0.501 -12.518 -5.304 1.00 0.96 C ATOM 756 CG PRO A 50 -0.570 -13.602 -5.401 1.00 0.99 C ATOM 757 CD PRO A 50 -1.832 -12.794 -5.694 1.00 0.86 C ATOM 0 HA PRO A 50 0.380 -10.499 -6.166 1.00 0.91 H new ATOM 0 HB2 PRO A 50 1.498 -12.915 -5.498 1.00 0.96 H new ATOM 0 HB3 PRO A 50 0.527 -12.061 -4.315 1.00 0.96 H new ATOM 0 HG2 PRO A 50 -0.353 -14.317 -6.194 1.00 0.99 H new ATOM 0 HG3 PRO A 50 -0.658 -14.170 -4.475 1.00 0.99 H new ATOM 0 HD2 PRO A 50 -2.535 -13.371 -6.294 1.00 0.86 H new ATOM 0 HD3 PRO A 50 -2.346 -12.524 -4.772 1.00 0.86 H new ATOM 765 N GLU A 51 -0.050 -12.281 -8.721 1.00 0.88 N ATOM 766 CA GLU A 51 0.436 -12.686 -10.029 1.00 0.95 C ATOM 767 C GLU A 51 0.026 -11.631 -11.065 1.00 1.02 C ATOM 768 O GLU A 51 0.801 -11.329 -11.971 1.00 1.48 O ATOM 769 CB GLU A 51 -0.078 -14.111 -10.303 1.00 1.06 C ATOM 770 CG GLU A 51 0.702 -15.105 -9.415 1.00 2.23 C ATOM 771 CD GLU A 51 -0.103 -16.323 -8.985 1.00 2.57 C ATOM 772 OE1 GLU A 51 -0.439 -17.160 -9.847 1.00 2.60 O ATOM 773 OE2 GLU A 51 -0.338 -16.453 -7.762 1.00 3.93 O ATOM 0 H GLU A 51 -1.062 -12.367 -8.628 1.00 0.88 H new ATOM 0 HA GLU A 51 1.524 -12.733 -10.084 1.00 0.95 H new ATOM 0 HB2 GLU A 51 -1.145 -14.174 -10.091 1.00 1.06 H new ATOM 0 HB3 GLU A 51 0.053 -14.363 -11.355 1.00 1.06 H new ATOM 0 HG2 GLU A 51 1.587 -15.441 -9.956 1.00 2.23 H new ATOM 0 HG3 GLU A 51 1.052 -14.582 -8.525 1.00 2.23 H new ATOM 780 N ILE A 52 -1.151 -11.014 -10.910 1.00 1.02 N ATOM 781 CA ILE A 52 -1.545 -9.848 -11.702 1.00 1.24 C ATOM 782 C ILE A 52 -0.722 -8.623 -11.304 1.00 1.28 C ATOM 783 O ILE A 52 -0.427 -7.795 -12.166 1.00 1.60 O ATOM 784 CB ILE A 52 -3.064 -9.597 -11.635 1.00 1.31 C ATOM 785 CG1 ILE A 52 -3.819 -10.853 -12.103 1.00 2.37 C ATOM 786 CG2 ILE A 52 -3.460 -8.411 -12.532 1.00 2.21 C ATOM 787 CD1 ILE A 52 -5.339 -10.739 -11.954 1.00 3.55 C ATOM 0 H ILE A 52 -1.854 -11.310 -10.233 1.00 1.02 H new ATOM 0 HA ILE A 52 -1.324 -10.056 -12.749 1.00 1.24 H new ATOM 0 HB ILE A 52 -3.327 -9.366 -10.603 1.00 1.31 H new ATOM 0 HG12 ILE A 52 -3.577 -11.045 -13.148 1.00 2.37 H new ATOM 0 HG13 ILE A 52 -3.469 -11.713 -11.532 1.00 2.37 H new ATOM 0 HG21 ILE A 52 -4.536 -8.251 -12.470 1.00 2.21 H new ATOM 0 HG22 ILE A 52 -2.940 -7.513 -12.198 1.00 2.21 H new ATOM 0 HG23 ILE A 52 -3.184 -8.628 -13.564 1.00 2.21 H new ATOM 0 HD11 ILE A 52 -5.809 -11.659 -12.302 1.00 3.55 H new ATOM 0 HD12 ILE A 52 -5.591 -10.577 -10.906 1.00 3.55 H new ATOM 0 HD13 ILE A 52 -5.701 -9.899 -12.548 1.00 3.55 H new ATOM 799 N ILE A 53 -0.336 -8.485 -10.030 1.00 1.03 N ATOM 800 CA ILE A 53 0.638 -7.485 -9.641 1.00 1.08 C ATOM 801 C ILE A 53 1.558 -8.106 -8.596 1.00 1.09 C ATOM 802 O ILE A 53 1.095 -8.739 -7.651 1.00 1.29 O ATOM 803 CB ILE A 53 -0.057 -6.183 -9.207 1.00 1.10 C ATOM 804 CG1 ILE A 53 0.908 -5.020 -9.418 1.00 1.25 C ATOM 805 CG2 ILE A 53 -0.599 -6.227 -7.773 1.00 1.22 C ATOM 806 CD1 ILE A 53 0.252 -3.667 -9.158 1.00 1.01 C ATOM 0 H ILE A 53 -0.688 -9.056 -9.261 1.00 1.03 H new ATOM 0 HA ILE A 53 1.263 -7.183 -10.481 1.00 1.08 H new ATOM 0 HB ILE A 53 -0.941 -6.046 -9.830 1.00 1.10 H new ATOM 0 HG12 ILE A 53 1.766 -5.138 -8.756 1.00 1.25 H new ATOM 0 HG13 ILE A 53 1.287 -5.047 -10.439 1.00 1.25 H new ATOM 0 HG21 ILE A 53 -1.076 -5.276 -7.535 1.00 1.22 H new ATOM 0 HG22 ILE A 53 -1.329 -7.031 -7.685 1.00 1.22 H new ATOM 0 HG23 ILE A 53 0.222 -6.405 -7.079 1.00 1.22 H new ATOM 0 HD11 ILE A 53 0.980 -2.872 -9.322 1.00 1.01 H new ATOM 0 HD12 ILE A 53 -0.589 -3.534 -9.838 1.00 1.01 H new ATOM 0 HD13 ILE A 53 -0.104 -3.627 -8.128 1.00 1.01 H new ATOM 818 N GLY A 54 2.863 -7.987 -8.816 1.00 1.35 N ATOM 819 CA GLY A 54 3.876 -8.639 -8.009 1.00 1.57 C ATOM 820 C GLY A 54 4.010 -7.992 -6.629 1.00 1.41 C ATOM 821 O GLY A 54 3.349 -7.000 -6.322 1.00 1.21 O ATOM 0 H GLY A 54 3.248 -7.424 -9.574 1.00 1.35 H new ATOM 0 HA2 GLY A 54 3.624 -9.693 -7.893 1.00 1.57 H new ATOM 0 HA3 GLY A 54 4.835 -8.595 -8.525 1.00 1.57 H new ATOM 825 N PRO A 55 4.864 -8.566 -5.769 1.00 1.80 N ATOM 826 CA PRO A 55 5.014 -8.122 -4.397 1.00 1.87 C ATOM 827 C PRO A 55 5.646 -6.731 -4.330 1.00 1.39 C ATOM 828 O PRO A 55 5.060 -5.828 -3.734 1.00 1.43 O ATOM 829 CB PRO A 55 5.853 -9.198 -3.699 1.00 2.46 C ATOM 830 CG PRO A 55 6.619 -9.873 -4.838 1.00 2.62 C ATOM 831 CD PRO A 55 5.669 -9.747 -6.031 1.00 2.35 C ATOM 0 HA PRO A 55 4.053 -8.011 -3.896 1.00 1.87 H new ATOM 0 HB2 PRO A 55 6.532 -8.761 -2.967 1.00 2.46 H new ATOM 0 HB3 PRO A 55 5.224 -9.910 -3.165 1.00 2.46 H new ATOM 0 HG2 PRO A 55 7.571 -9.379 -5.029 1.00 2.62 H new ATOM 0 HG3 PRO A 55 6.841 -10.916 -4.610 1.00 2.62 H new ATOM 0 HD2 PRO A 55 6.223 -9.644 -6.964 1.00 2.35 H new ATOM 0 HD3 PRO A 55 5.043 -10.634 -6.128 1.00 2.35 H new ATOM 839 N ARG A 56 6.842 -6.540 -4.908 1.00 1.10 N ATOM 840 CA ARG A 56 7.493 -5.240 -4.796 1.00 0.71 C ATOM 841 C ARG A 56 6.688 -4.170 -5.524 1.00 0.66 C ATOM 842 O ARG A 56 6.685 -3.047 -5.062 1.00 0.91 O ATOM 843 CB ARG A 56 8.980 -5.219 -5.199 1.00 1.08 C ATOM 844 CG ARG A 56 9.618 -3.902 -4.692 1.00 2.33 C ATOM 845 CD ARG A 56 11.102 -3.729 -5.018 1.00 3.03 C ATOM 846 NE ARG A 56 11.602 -2.406 -4.571 1.00 4.23 N ATOM 847 CZ ARG A 56 12.870 -1.989 -4.724 1.00 5.25 C ATOM 848 NH1 ARG A 56 13.768 -2.806 -5.285 1.00 5.66 N ATOM 849 NH2 ARG A 56 13.248 -0.772 -4.327 1.00 6.34 N ATOM 0 H ARG A 56 7.357 -7.244 -5.437 1.00 1.10 H new ATOM 0 HA ARG A 56 7.505 -5.010 -3.731 1.00 0.71 H new ATOM 0 HB2 ARG A 56 9.498 -6.078 -4.772 1.00 1.08 H new ATOM 0 HB3 ARG A 56 9.078 -5.293 -6.282 1.00 1.08 H new ATOM 0 HG2 ARG A 56 9.069 -3.063 -5.119 1.00 2.33 H new ATOM 0 HG3 ARG A 56 9.491 -3.849 -3.611 1.00 2.33 H new ATOM 0 HD2 ARG A 56 11.677 -4.519 -4.535 1.00 3.03 H new ATOM 0 HD3 ARG A 56 11.255 -3.834 -6.092 1.00 3.03 H new ATOM 0 HE ARG A 56 10.942 -1.773 -4.119 1.00 4.23 H new ATOM 0 HH11 ARG A 56 13.488 -3.737 -5.593 1.00 5.66 H new ATOM 0 HH12 ARG A 56 14.733 -2.498 -5.405 1.00 5.66 H new ATOM 0 HH21 ARG A 56 12.570 -0.141 -3.899 1.00 6.34 H new ATOM 0 HH22 ARG A 56 14.215 -0.473 -4.451 1.00 6.34 H new ATOM 863 N ASP A 57 6.011 -4.469 -6.630 1.00 0.68 N ATOM 864 CA ASP A 57 5.233 -3.532 -7.433 1.00 0.66 C ATOM 865 C ASP A 57 4.540 -2.477 -6.554 1.00 0.54 C ATOM 866 O ASP A 57 4.769 -1.273 -6.683 1.00 0.51 O ATOM 867 CB ASP A 57 4.186 -4.323 -8.234 1.00 0.72 C ATOM 868 CG ASP A 57 4.702 -5.526 -9.026 1.00 1.34 C ATOM 869 OD1 ASP A 57 5.696 -6.144 -8.577 1.00 2.24 O ATOM 870 OD2 ASP A 57 4.032 -5.874 -10.023 1.00 2.32 O ATOM 0 H ASP A 57 5.990 -5.416 -7.008 1.00 0.68 H new ATOM 0 HA ASP A 57 5.905 -3.003 -8.108 1.00 0.66 H new ATOM 0 HB2 ASP A 57 3.419 -4.673 -7.542 1.00 0.72 H new ATOM 0 HB3 ASP A 57 3.700 -3.639 -8.930 1.00 0.72 H new ATOM 875 N ILE A 58 3.723 -2.954 -5.612 1.00 0.53 N ATOM 876 CA ILE A 58 3.063 -2.147 -4.592 1.00 0.50 C ATOM 877 C ILE A 58 4.076 -1.272 -3.849 1.00 0.47 C ATOM 878 O ILE A 58 3.965 -0.045 -3.818 1.00 0.46 O ATOM 879 CB ILE A 58 2.346 -3.100 -3.617 1.00 0.60 C ATOM 880 CG1 ILE A 58 1.180 -3.795 -4.336 1.00 0.64 C ATOM 881 CG2 ILE A 58 1.831 -2.393 -2.356 1.00 0.74 C ATOM 882 CD1 ILE A 58 0.991 -5.211 -3.795 1.00 0.83 C ATOM 0 H ILE A 58 3.497 -3.946 -5.539 1.00 0.53 H new ATOM 0 HA ILE A 58 2.340 -1.478 -5.059 1.00 0.50 H new ATOM 0 HB ILE A 58 3.083 -3.834 -3.290 1.00 0.60 H new ATOM 0 HG12 ILE A 58 0.264 -3.220 -4.197 1.00 0.64 H new ATOM 0 HG13 ILE A 58 1.375 -3.831 -5.408 1.00 0.64 H new ATOM 0 HG21 ILE A 58 1.336 -3.117 -1.709 1.00 0.74 H new ATOM 0 HG22 ILE A 58 2.669 -1.944 -1.823 1.00 0.74 H new ATOM 0 HG23 ILE A 58 1.122 -1.615 -2.639 1.00 0.74 H new ATOM 0 HD11 ILE A 58 0.161 -5.691 -4.314 1.00 0.83 H new ATOM 0 HD12 ILE A 58 1.902 -5.787 -3.957 1.00 0.83 H new ATOM 0 HD13 ILE A 58 0.774 -5.167 -2.728 1.00 0.83 H new ATOM 894 N ILE A 59 5.057 -1.933 -3.233 1.00 0.51 N ATOM 895 CA ILE A 59 6.111 -1.314 -2.453 1.00 0.59 C ATOM 896 C ILE A 59 6.754 -0.192 -3.268 1.00 0.54 C ATOM 897 O ILE A 59 6.666 0.968 -2.896 1.00 0.58 O ATOM 898 CB ILE A 59 7.141 -2.379 -2.027 1.00 0.72 C ATOM 899 CG1 ILE A 59 6.543 -3.596 -1.302 1.00 1.22 C ATOM 900 CG2 ILE A 59 8.245 -1.723 -1.208 1.00 0.81 C ATOM 901 CD1 ILE A 59 5.671 -3.233 -0.103 1.00 1.72 C ATOM 0 H ILE A 59 5.136 -2.949 -3.269 1.00 0.51 H new ATOM 0 HA ILE A 59 5.697 -0.876 -1.545 1.00 0.59 H new ATOM 0 HB ILE A 59 7.557 -2.793 -2.946 1.00 0.72 H new ATOM 0 HG12 ILE A 59 5.948 -4.173 -2.010 1.00 1.22 H new ATOM 0 HG13 ILE A 59 7.354 -4.242 -0.967 1.00 1.22 H new ATOM 0 HG21 ILE A 59 8.972 -2.477 -0.908 1.00 0.81 H new ATOM 0 HG22 ILE A 59 8.740 -0.961 -1.809 1.00 0.81 H new ATOM 0 HG23 ILE A 59 7.814 -1.261 -0.320 1.00 0.81 H new ATOM 0 HD11 ILE A 59 5.286 -4.144 0.356 1.00 1.72 H new ATOM 0 HD12 ILE A 59 6.266 -2.683 0.626 1.00 1.72 H new ATOM 0 HD13 ILE A 59 4.838 -2.613 -0.434 1.00 1.72 H new ATOM 913 N HIS A 60 7.365 -0.534 -4.397 1.00 0.59 N ATOM 914 CA HIS A 60 7.979 0.369 -5.346 1.00 0.67 C ATOM 915 C HIS A 60 7.046 1.521 -5.729 1.00 0.60 C ATOM 916 O HIS A 60 7.529 2.631 -5.942 1.00 0.64 O ATOM 917 CB HIS A 60 8.501 -0.436 -6.548 1.00 0.94 C ATOM 918 CG HIS A 60 8.360 0.270 -7.865 1.00 1.56 C ATOM 919 ND1 HIS A 60 9.139 1.300 -8.340 1.00 2.98 N ATOM 920 CD2 HIS A 60 7.269 0.160 -8.677 1.00 3.47 C ATOM 921 CE1 HIS A 60 8.533 1.780 -9.441 1.00 4.36 C ATOM 922 NE2 HIS A 60 7.389 1.118 -9.687 1.00 4.89 N ATOM 0 H HIS A 60 7.446 -1.509 -4.685 1.00 0.59 H new ATOM 0 HA HIS A 60 8.836 0.857 -4.882 1.00 0.67 H new ATOM 0 HB2 HIS A 60 9.553 -0.672 -6.385 1.00 0.94 H new ATOM 0 HB3 HIS A 60 7.966 -1.384 -6.597 1.00 0.94 H new ATOM 0 HD2 HIS A 60 6.457 -0.543 -8.560 1.00 3.47 H new ATOM 0 HE1 HIS A 60 8.914 2.589 -10.046 1.00 4.36 H new ATOM 0 HE2 HIS A 60 6.739 1.282 -10.456 1.00 4.89 H new ATOM 930 N THR A 61 5.730 1.306 -5.817 1.00 0.54 N ATOM 931 CA THR A 61 4.833 2.425 -6.081 1.00 0.57 C ATOM 932 C THR A 61 4.882 3.390 -4.890 1.00 0.56 C ATOM 933 O THR A 61 5.074 4.594 -5.063 1.00 0.64 O ATOM 934 CB THR A 61 3.418 1.927 -6.414 1.00 0.58 C ATOM 935 OG1 THR A 61 3.485 1.030 -7.504 1.00 0.76 O ATOM 936 CG2 THR A 61 2.503 3.081 -6.832 1.00 0.77 C ATOM 0 H THR A 61 5.277 0.398 -5.713 1.00 0.54 H new ATOM 0 HA THR A 61 5.159 2.976 -6.963 1.00 0.57 H new ATOM 0 HB THR A 61 3.018 1.448 -5.520 1.00 0.58 H new ATOM 0 HG1 THR A 61 3.824 0.164 -7.195 1.00 0.76 H new ATOM 0 HG21 THR A 61 1.510 2.694 -7.060 1.00 0.77 H new ATOM 0 HG22 THR A 61 2.433 3.803 -6.018 1.00 0.77 H new ATOM 0 HG23 THR A 61 2.914 3.570 -7.715 1.00 0.77 H new ATOM 944 N ILE A 62 4.756 2.856 -3.673 1.00 0.51 N ATOM 945 CA ILE A 62 4.877 3.624 -2.438 1.00 0.56 C ATOM 946 C ILE A 62 6.244 4.334 -2.357 1.00 0.72 C ATOM 947 O ILE A 62 6.281 5.535 -2.076 1.00 0.86 O ATOM 948 CB ILE A 62 4.531 2.710 -1.243 1.00 0.43 C ATOM 949 CG1 ILE A 62 3.017 2.451 -1.239 1.00 0.47 C ATOM 950 CG2 ILE A 62 4.924 3.330 0.105 1.00 0.52 C ATOM 951 CD1 ILE A 62 2.625 1.243 -0.384 1.00 1.22 C ATOM 0 H ILE A 62 4.565 1.866 -3.519 1.00 0.51 H new ATOM 0 HA ILE A 62 4.157 4.442 -2.414 1.00 0.56 H new ATOM 0 HB ILE A 62 5.096 1.785 -1.362 1.00 0.43 H new ATOM 0 HG12 ILE A 62 2.502 3.337 -0.866 1.00 0.47 H new ATOM 0 HG13 ILE A 62 2.677 2.292 -2.262 1.00 0.47 H new ATOM 0 HG21 ILE A 62 4.659 2.646 0.911 1.00 0.52 H new ATOM 0 HG22 ILE A 62 5.999 3.512 0.122 1.00 0.52 H new ATOM 0 HG23 ILE A 62 4.394 4.273 0.240 1.00 0.52 H new ATOM 0 HD11 ILE A 62 1.544 1.108 -0.419 1.00 1.22 H new ATOM 0 HD12 ILE A 62 3.115 0.349 -0.771 1.00 1.22 H new ATOM 0 HD13 ILE A 62 2.937 1.410 0.647 1.00 1.22 H new ATOM 963 N GLU A 63 7.348 3.629 -2.639 1.00 0.73 N ATOM 964 CA GLU A 63 8.684 4.212 -2.745 1.00 0.89 C ATOM 965 C GLU A 63 8.639 5.408 -3.701 1.00 0.81 C ATOM 966 O GLU A 63 8.993 6.530 -3.346 1.00 0.89 O ATOM 967 CB GLU A 63 9.715 3.181 -3.262 1.00 0.98 C ATOM 968 CG GLU A 63 9.909 1.913 -2.412 1.00 1.27 C ATOM 969 CD GLU A 63 10.908 0.953 -3.062 1.00 1.33 C ATOM 970 OE1 GLU A 63 12.058 1.371 -3.307 1.00 2.05 O ATOM 971 OE2 GLU A 63 10.574 -0.216 -3.364 1.00 2.28 O ATOM 0 H GLU A 63 7.333 2.622 -2.802 1.00 0.73 H new ATOM 0 HA GLU A 63 8.995 4.532 -1.750 1.00 0.89 H new ATOM 0 HB2 GLU A 63 9.418 2.876 -4.265 1.00 0.98 H new ATOM 0 HB3 GLU A 63 10.680 3.680 -3.353 1.00 0.98 H new ATOM 0 HG2 GLU A 63 10.261 2.190 -1.418 1.00 1.27 H new ATOM 0 HG3 GLU A 63 8.951 1.410 -2.282 1.00 1.27 H new ATOM 978 N SER A 64 8.200 5.142 -4.934 1.00 0.72 N ATOM 979 CA SER A 64 8.246 6.080 -6.041 1.00 0.76 C ATOM 980 C SER A 64 7.340 7.287 -5.815 1.00 0.73 C ATOM 981 O SER A 64 7.596 8.332 -6.410 1.00 0.81 O ATOM 982 CB SER A 64 7.878 5.373 -7.350 1.00 0.82 C ATOM 983 OG SER A 64 8.125 6.225 -8.454 1.00 1.32 O ATOM 0 H SER A 64 7.793 4.242 -5.189 1.00 0.72 H new ATOM 0 HA SER A 64 9.268 6.454 -6.108 1.00 0.76 H new ATOM 0 HB2 SER A 64 8.459 4.456 -7.452 1.00 0.82 H new ATOM 0 HB3 SER A 64 6.827 5.084 -7.333 1.00 0.82 H new ATOM 0 HG SER A 64 7.888 5.762 -9.284 1.00 1.32 H new ATOM 989 N LEU A 65 6.262 7.148 -5.036 1.00 0.71 N ATOM 990 CA LEU A 65 5.405 8.276 -4.714 1.00 0.71 C ATOM 991 C LEU A 65 6.171 9.290 -3.862 1.00 0.70 C ATOM 992 O LEU A 65 6.597 10.320 -4.381 1.00 0.93 O ATOM 993 CB LEU A 65 4.110 7.793 -4.043 1.00 0.82 C ATOM 994 CG LEU A 65 3.115 7.240 -5.075 1.00 0.97 C ATOM 995 CD1 LEU A 65 2.099 6.320 -4.389 1.00 2.31 C ATOM 996 CD2 LEU A 65 2.366 8.378 -5.779 1.00 1.31 C ATOM 0 H LEU A 65 5.969 6.264 -4.621 1.00 0.71 H new ATOM 0 HA LEU A 65 5.111 8.785 -5.632 1.00 0.71 H new ATOM 0 HB2 LEU A 65 4.344 7.020 -3.311 1.00 0.82 H new ATOM 0 HB3 LEU A 65 3.651 8.618 -3.499 1.00 0.82 H new ATOM 0 HG LEU A 65 3.681 6.676 -5.817 1.00 0.97 H new ATOM 0 HD11 LEU A 65 1.399 5.934 -5.130 1.00 2.31 H new ATOM 0 HD12 LEU A 65 2.622 5.489 -3.916 1.00 2.31 H new ATOM 0 HD13 LEU A 65 1.552 6.882 -3.632 1.00 2.31 H new ATOM 0 HD21 LEU A 65 1.668 7.960 -6.504 1.00 1.31 H new ATOM 0 HD22 LEU A 65 1.816 8.963 -5.041 1.00 1.31 H new ATOM 0 HD23 LEU A 65 3.081 9.021 -6.292 1.00 1.31 H new ATOM 1008 N GLY A 66 6.282 9.068 -2.551 1.00 0.66 N ATOM 1009 CA GLY A 66 7.150 9.902 -1.729 1.00 0.71 C ATOM 1010 C GLY A 66 7.513 9.260 -0.394 1.00 0.65 C ATOM 1011 O GLY A 66 7.706 9.989 0.576 1.00 0.77 O ATOM 0 H GLY A 66 5.790 8.331 -2.046 1.00 0.66 H new ATOM 0 HA2 GLY A 66 8.065 10.118 -2.281 1.00 0.71 H new ATOM 0 HA3 GLY A 66 6.657 10.856 -1.544 1.00 0.71 H new ATOM 1015 N PHE A 67 7.503 7.926 -0.296 1.00 0.66 N ATOM 1016 CA PHE A 67 7.277 7.269 0.987 1.00 0.63 C ATOM 1017 C PHE A 67 8.267 6.132 1.238 1.00 0.72 C ATOM 1018 O PHE A 67 9.089 5.806 0.388 1.00 1.02 O ATOM 1019 CB PHE A 67 5.830 6.765 1.032 1.00 0.68 C ATOM 1020 CG PHE A 67 4.762 7.748 0.581 1.00 0.67 C ATOM 1021 CD1 PHE A 67 4.667 9.018 1.179 1.00 1.51 C ATOM 1022 CD2 PHE A 67 3.833 7.380 -0.411 1.00 1.77 C ATOM 1023 CE1 PHE A 67 3.610 9.880 0.849 1.00 1.47 C ATOM 1024 CE2 PHE A 67 2.791 8.256 -0.761 1.00 1.88 C ATOM 1025 CZ PHE A 67 2.655 9.490 -0.103 1.00 0.85 C ATOM 0 H PHE A 67 7.647 7.291 -1.081 1.00 0.66 H new ATOM 0 HA PHE A 67 7.441 7.993 1.785 1.00 0.63 H new ATOM 0 HB2 PHE A 67 5.759 5.873 0.410 1.00 0.68 H new ATOM 0 HB3 PHE A 67 5.605 6.460 2.054 1.00 0.68 H new ATOM 0 HD1 PHE A 67 5.412 9.331 1.896 1.00 1.51 H new ATOM 0 HD2 PHE A 67 3.921 6.423 -0.904 1.00 1.77 H new ATOM 0 HE1 PHE A 67 3.531 10.845 1.328 1.00 1.47 H new ATOM 0 HE2 PHE A 67 2.093 7.980 -1.538 1.00 1.88 H new ATOM 0 HZ PHE A 67 1.819 10.136 -0.329 1.00 0.85 H new ATOM 1035 N GLU A 68 8.165 5.534 2.428 1.00 0.61 N ATOM 1036 CA GLU A 68 8.938 4.393 2.890 1.00 0.69 C ATOM 1037 C GLU A 68 7.909 3.374 3.365 1.00 0.68 C ATOM 1038 O GLU A 68 6.949 3.768 4.028 1.00 0.92 O ATOM 1039 CB GLU A 68 9.834 4.842 4.053 1.00 0.82 C ATOM 1040 CG GLU A 68 10.643 3.688 4.659 1.00 2.29 C ATOM 1041 CD GLU A 68 11.350 4.136 5.931 1.00 2.51 C ATOM 1042 OE1 GLU A 68 10.718 4.000 7.001 1.00 2.94 O ATOM 1043 OE2 GLU A 68 12.492 4.624 5.803 1.00 3.24 O ATOM 0 H GLU A 68 7.500 5.857 3.131 1.00 0.61 H new ATOM 0 HA GLU A 68 9.580 3.972 2.116 1.00 0.69 H new ATOM 0 HB2 GLU A 68 10.518 5.614 3.701 1.00 0.82 H new ATOM 0 HB3 GLU A 68 9.216 5.293 4.829 1.00 0.82 H new ATOM 0 HG2 GLU A 68 9.981 2.851 4.880 1.00 2.29 H new ATOM 0 HG3 GLU A 68 11.376 3.332 3.935 1.00 2.29 H new ATOM 1050 N ALA A 69 8.087 2.095 3.021 1.00 0.61 N ATOM 1051 CA ALA A 69 7.208 1.007 3.426 1.00 0.61 C ATOM 1052 C ALA A 69 7.984 -0.033 4.226 1.00 0.65 C ATOM 1053 O ALA A 69 9.188 -0.188 4.030 1.00 0.83 O ATOM 1054 CB ALA A 69 6.602 0.350 2.186 1.00 0.87 C ATOM 0 H ALA A 69 8.866 1.786 2.440 1.00 0.61 H new ATOM 0 HA ALA A 69 6.413 1.412 4.052 1.00 0.61 H new ATOM 0 HB1 ALA A 69 5.944 -0.464 2.490 1.00 0.87 H new ATOM 0 HB2 ALA A 69 6.029 1.089 1.626 1.00 0.87 H new ATOM 0 HB3 ALA A 69 7.400 -0.044 1.556 1.00 0.87 H new ATOM 1060 N SER A 70 7.303 -0.775 5.102 1.00 0.64 N ATOM 1061 CA SER A 70 7.857 -1.939 5.780 1.00 0.77 C ATOM 1062 C SER A 70 6.724 -2.886 6.183 1.00 0.75 C ATOM 1063 O SER A 70 5.720 -2.462 6.752 1.00 0.80 O ATOM 1064 CB SER A 70 8.691 -1.506 6.992 1.00 0.90 C ATOM 1065 OG SER A 70 9.923 -0.953 6.576 1.00 1.73 O ATOM 0 H SER A 70 6.337 -0.577 5.361 1.00 0.64 H new ATOM 0 HA SER A 70 8.522 -2.473 5.102 1.00 0.77 H new ATOM 0 HB2 SER A 70 8.137 -0.773 7.578 1.00 0.90 H new ATOM 0 HB3 SER A 70 8.871 -2.363 7.641 1.00 0.90 H new ATOM 0 HG SER A 70 9.879 -0.738 5.621 1.00 1.73 H new ATOM 1071 N LEU A 71 6.880 -4.178 5.885 1.00 0.84 N ATOM 1072 CA LEU A 71 5.879 -5.220 6.101 1.00 0.82 C ATOM 1073 C LEU A 71 5.900 -5.635 7.578 1.00 0.97 C ATOM 1074 O LEU A 71 6.152 -6.796 7.906 1.00 2.06 O ATOM 1075 CB LEU A 71 6.204 -6.414 5.186 1.00 0.97 C ATOM 1076 CG LEU A 71 6.014 -6.174 3.675 1.00 1.97 C ATOM 1077 CD1 LEU A 71 6.899 -5.073 3.077 1.00 3.37 C ATOM 1078 CD2 LEU A 71 6.335 -7.484 2.944 1.00 2.39 C ATOM 0 H LEU A 71 7.740 -4.538 5.471 1.00 0.84 H new ATOM 0 HA LEU A 71 4.881 -4.855 5.859 1.00 0.82 H new ATOM 0 HB2 LEU A 71 7.239 -6.710 5.360 1.00 0.97 H new ATOM 0 HB3 LEU A 71 5.578 -7.255 5.482 1.00 0.97 H new ATOM 0 HG LEU A 71 4.983 -5.843 3.546 1.00 1.97 H new ATOM 0 HD11 LEU A 71 6.693 -4.979 2.011 1.00 3.37 H new ATOM 0 HD12 LEU A 71 6.686 -4.126 3.572 1.00 3.37 H new ATOM 0 HD13 LEU A 71 7.948 -5.330 3.222 1.00 3.37 H new ATOM 0 HD21 LEU A 71 6.208 -7.342 1.871 1.00 2.39 H new ATOM 0 HD22 LEU A 71 7.365 -7.774 3.153 1.00 2.39 H new ATOM 0 HD23 LEU A 71 5.660 -8.268 3.289 1.00 2.39 H new