USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 545 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 34 TYR OH : rot 130:sc= 0.515 USER MOD Set 1.2: A 36 SER OG : rot 74:sc= 1.8 USER MOD Set 2.1: A 24 SER OG : rot -79:sc= 1.04 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -119:sc= 0.389 (180deg=-0.129) USER MOD Set 3.1: A 14 THR OG1 : rot 92:sc= 0.476 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= 0.36 USER MOD Set 3.3: A 17 SER OG : rot 180:sc= 0.0383 USER MOD Set 3.4: A 18 CYS SG : rot 136:sc= 0.11 USER MOD Set 4.1: A 13 MET CE :methyl 177:sc= -0.625 (180deg=-0.642) USER MOD Set 4.2: A 42 ASN : amide:sc= 0 K(o=-0.63,f=-2.2) USER MOD Single : A 20 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.022) USER MOD Single : A 21 LYS NZ :NH3+ -129:sc= 1.25 (180deg=0.826) USER MOD Single : A 25 SER OG : rot 110:sc= 0 USER MOD Single : A 27 THR OG1 : rot 87:sc= 0.127 USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.652 F(o=-2.3,f=-0.65) USER MOD Single : A 35 CYS SG : rot -54:sc= -2.46 USER MOD Single : A 41 THR OG1 : rot 36:sc= 0.943 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.06) USER MOD Single : A 45 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-4.5!) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.073) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.97 X(o=-0.97,f=-0.61) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.993 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 5.264 3.059 -11.364 1.00 1.40 N ATOM 40 CA GLY A 4 5.775 2.517 -10.126 1.00 1.78 C ATOM 41 C GLY A 4 4.664 1.662 -9.544 1.00 1.60 C ATOM 42 O GLY A 4 3.939 2.081 -8.643 1.00 2.16 O ATOM 0 HA2 GLY A 4 6.671 1.922 -10.303 1.00 1.78 H new ATOM 0 HA3 GLY A 4 6.053 3.315 -9.437 1.00 1.78 H new ATOM 46 N VAL A 5 4.526 0.454 -10.093 1.00 1.08 N ATOM 47 CA VAL A 5 3.567 -0.532 -9.630 1.00 0.96 C ATOM 48 C VAL A 5 4.137 -1.174 -8.365 1.00 1.04 C ATOM 49 O VAL A 5 4.699 -2.269 -8.381 1.00 1.94 O ATOM 50 CB VAL A 5 3.207 -1.512 -10.768 1.00 1.01 C ATOM 51 CG1 VAL A 5 4.389 -2.258 -11.410 1.00 2.21 C ATOM 52 CG2 VAL A 5 2.143 -2.517 -10.311 1.00 1.91 C ATOM 0 H VAL A 5 5.088 0.135 -10.882 1.00 1.08 H new ATOM 0 HA VAL A 5 2.611 -0.084 -9.357 1.00 0.96 H new ATOM 0 HB VAL A 5 2.815 -0.867 -11.555 1.00 1.01 H new ATOM 0 HG11 VAL A 5 4.020 -2.917 -12.195 1.00 2.21 H new ATOM 0 HG12 VAL A 5 5.085 -1.537 -11.839 1.00 2.21 H new ATOM 0 HG13 VAL A 5 4.902 -2.849 -10.651 1.00 2.21 H new ATOM 0 HG21 VAL A 5 1.907 -3.196 -11.131 1.00 1.91 H new ATOM 0 HG22 VAL A 5 2.523 -3.089 -9.464 1.00 1.91 H new ATOM 0 HG23 VAL A 5 1.242 -1.982 -10.012 1.00 1.91 H new ATOM 62 N LEU A 6 3.982 -0.473 -7.241 1.00 0.75 N ATOM 63 CA LEU A 6 4.318 -1.008 -5.937 1.00 0.84 C ATOM 64 C LEU A 6 3.185 -1.931 -5.538 1.00 0.65 C ATOM 65 O LEU A 6 2.322 -1.615 -4.720 1.00 0.87 O ATOM 66 CB LEU A 6 4.562 0.113 -4.923 1.00 1.01 C ATOM 67 CG LEU A 6 4.957 -0.372 -3.519 1.00 1.47 C ATOM 68 CD1 LEU A 6 6.294 -1.120 -3.537 1.00 1.79 C ATOM 69 CD2 LEU A 6 5.072 0.850 -2.606 1.00 2.40 C ATOM 0 H LEU A 6 3.620 0.480 -7.217 1.00 0.75 H new ATOM 0 HA LEU A 6 5.252 -1.568 -5.966 1.00 0.84 H new ATOM 0 HB2 LEU A 6 5.349 0.765 -5.303 1.00 1.01 H new ATOM 0 HB3 LEU A 6 3.658 0.717 -4.844 1.00 1.01 H new ATOM 0 HG LEU A 6 4.195 -1.062 -3.157 1.00 1.47 H new ATOM 0 HD11 LEU A 6 6.541 -1.448 -2.527 1.00 1.79 H new ATOM 0 HD12 LEU A 6 6.217 -1.988 -4.192 1.00 1.79 H new ATOM 0 HD13 LEU A 6 7.077 -0.457 -3.905 1.00 1.79 H new ATOM 0 HD21 LEU A 6 5.352 0.529 -1.603 1.00 2.40 H new ATOM 0 HD22 LEU A 6 5.833 1.526 -2.997 1.00 2.40 H new ATOM 0 HD23 LEU A 6 4.113 1.367 -2.567 1.00 2.40 H new ATOM 81 N GLU A 7 3.254 -3.112 -6.134 1.00 0.63 N ATOM 82 CA GLU A 7 2.509 -4.254 -5.693 1.00 0.64 C ATOM 83 C GLU A 7 3.265 -4.787 -4.483 1.00 0.65 C ATOM 84 O GLU A 7 4.450 -5.114 -4.591 1.00 0.84 O ATOM 85 CB GLU A 7 2.477 -5.282 -6.824 1.00 0.93 C ATOM 86 CG GLU A 7 1.098 -5.923 -6.915 1.00 0.82 C ATOM 87 CD GLU A 7 0.049 -5.042 -7.560 1.00 1.08 C ATOM 88 OE1 GLU A 7 0.394 -3.895 -7.902 1.00 2.42 O ATOM 89 OE2 GLU A 7 -1.076 -5.565 -7.748 1.00 1.75 O ATOM 0 H GLU A 7 3.841 -3.294 -6.948 1.00 0.63 H new ATOM 0 HA GLU A 7 1.477 -4.020 -5.431 1.00 0.64 H new ATOM 0 HB2 GLU A 7 2.725 -4.800 -7.770 1.00 0.93 H new ATOM 0 HB3 GLU A 7 3.232 -6.049 -6.649 1.00 0.93 H new ATOM 0 HG2 GLU A 7 1.177 -6.851 -7.482 1.00 0.82 H new ATOM 0 HG3 GLU A 7 0.766 -6.190 -5.912 1.00 0.82 H new ATOM 96 N LEU A 8 2.610 -4.868 -3.332 1.00 0.60 N ATOM 97 CA LEU A 8 3.204 -5.465 -2.154 1.00 0.69 C ATOM 98 C LEU A 8 2.224 -6.453 -1.545 1.00 0.60 C ATOM 99 O LEU A 8 1.015 -6.240 -1.607 1.00 0.62 O ATOM 100 CB LEU A 8 3.727 -4.369 -1.207 1.00 0.85 C ATOM 101 CG LEU A 8 2.733 -3.312 -0.712 1.00 0.89 C ATOM 102 CD1 LEU A 8 1.801 -3.873 0.370 1.00 2.10 C ATOM 103 CD2 LEU A 8 3.522 -2.143 -0.114 1.00 1.58 C ATOM 0 H LEU A 8 1.660 -4.523 -3.194 1.00 0.60 H new ATOM 0 HA LEU A 8 4.089 -6.050 -2.404 1.00 0.69 H new ATOM 0 HB2 LEU A 8 4.156 -4.859 -0.333 1.00 0.85 H new ATOM 0 HB3 LEU A 8 4.541 -3.851 -1.713 1.00 0.85 H new ATOM 0 HG LEU A 8 2.124 -2.992 -1.558 1.00 0.89 H new ATOM 0 HD11 LEU A 8 1.111 -3.094 0.696 1.00 2.10 H new ATOM 0 HD12 LEU A 8 1.236 -4.712 -0.036 1.00 2.10 H new ATOM 0 HD13 LEU A 8 2.393 -4.212 1.220 1.00 2.10 H new ATOM 0 HD21 LEU A 8 2.829 -1.381 0.243 1.00 1.58 H new ATOM 0 HD22 LEU A 8 4.128 -2.501 0.718 1.00 1.58 H new ATOM 0 HD23 LEU A 8 4.171 -1.714 -0.877 1.00 1.58 H new ATOM 115 N VAL A 9 2.738 -7.544 -0.976 1.00 0.59 N ATOM 116 CA VAL A 9 1.942 -8.387 -0.099 1.00 0.57 C ATOM 117 C VAL A 9 1.867 -7.656 1.240 1.00 0.56 C ATOM 118 O VAL A 9 2.868 -7.097 1.687 1.00 0.66 O ATOM 119 CB VAL A 9 2.584 -9.779 0.026 1.00 0.65 C ATOM 120 CG1 VAL A 9 1.902 -10.623 1.111 1.00 1.64 C ATOM 121 CG2 VAL A 9 2.467 -10.521 -1.312 1.00 1.99 C ATOM 0 H VAL A 9 3.699 -7.859 -1.109 1.00 0.59 H new ATOM 0 HA VAL A 9 0.938 -8.555 -0.488 1.00 0.57 H new ATOM 0 HB VAL A 9 3.629 -9.636 0.300 1.00 0.65 H new ATOM 0 HG11 VAL A 9 2.384 -11.599 1.169 1.00 1.64 H new ATOM 0 HG12 VAL A 9 1.989 -10.118 2.073 1.00 1.64 H new ATOM 0 HG13 VAL A 9 0.849 -10.752 0.863 1.00 1.64 H new ATOM 0 HG21 VAL A 9 2.922 -11.507 -1.222 1.00 1.99 H new ATOM 0 HG22 VAL A 9 1.415 -10.630 -1.577 1.00 1.99 H new ATOM 0 HG23 VAL A 9 2.980 -9.954 -2.089 1.00 1.99 H new ATOM 131 N VAL A 10 0.687 -7.623 1.858 1.00 0.56 N ATOM 132 CA VAL A 10 0.468 -7.046 3.176 1.00 0.58 C ATOM 133 C VAL A 10 -0.135 -8.142 4.053 1.00 0.60 C ATOM 134 O VAL A 10 -0.677 -9.117 3.536 1.00 1.20 O ATOM 135 CB VAL A 10 -0.375 -5.757 3.063 1.00 0.69 C ATOM 136 CG1 VAL A 10 -1.725 -5.979 2.379 1.00 2.29 C ATOM 137 CG2 VAL A 10 -0.600 -5.076 4.418 1.00 2.17 C ATOM 0 H VAL A 10 -0.162 -8.007 1.442 1.00 0.56 H new ATOM 0 HA VAL A 10 1.393 -6.719 3.650 1.00 0.58 H new ATOM 0 HB VAL A 10 0.221 -5.096 2.434 1.00 0.69 H new ATOM 0 HG11 VAL A 10 -2.268 -5.035 2.331 1.00 2.29 H new ATOM 0 HG12 VAL A 10 -1.564 -6.356 1.369 1.00 2.29 H new ATOM 0 HG13 VAL A 10 -2.307 -6.704 2.949 1.00 2.29 H new ATOM 0 HG21 VAL A 10 -1.198 -4.176 4.278 1.00 2.17 H new ATOM 0 HG22 VAL A 10 -1.124 -5.759 5.086 1.00 2.17 H new ATOM 0 HG23 VAL A 10 0.362 -4.808 4.855 1.00 2.17 H new ATOM 147 N ARG A 11 0.000 -8.031 5.374 1.00 0.52 N ATOM 148 CA ARG A 11 -0.633 -8.958 6.293 1.00 0.72 C ATOM 149 C ARG A 11 -1.029 -8.218 7.567 1.00 0.63 C ATOM 150 O ARG A 11 -0.383 -7.239 7.946 1.00 0.80 O ATOM 151 CB ARG A 11 0.271 -10.173 6.547 1.00 1.00 C ATOM 152 CG ARG A 11 1.552 -9.826 7.311 1.00 1.55 C ATOM 153 CD ARG A 11 2.445 -11.068 7.442 1.00 1.62 C ATOM 154 NE ARG A 11 3.467 -10.910 8.487 1.00 3.09 N ATOM 155 CZ ARG A 11 3.286 -11.049 9.811 1.00 4.46 C ATOM 156 NH1 ARG A 11 2.089 -11.424 10.277 1.00 5.02 N ATOM 157 NH2 ARG A 11 4.283 -10.812 10.668 1.00 5.89 N ATOM 0 H ARG A 11 0.548 -7.300 5.828 1.00 0.52 H new ATOM 0 HA ARG A 11 -1.548 -9.356 5.854 1.00 0.72 H new ATOM 0 HB2 ARG A 11 -0.288 -10.921 7.109 1.00 1.00 H new ATOM 0 HB3 ARG A 11 0.537 -10.625 5.592 1.00 1.00 H new ATOM 0 HG2 ARG A 11 2.091 -9.035 6.790 1.00 1.55 H new ATOM 0 HG3 ARG A 11 1.302 -9.443 8.300 1.00 1.55 H new ATOM 0 HD2 ARG A 11 1.826 -11.936 7.670 1.00 1.62 H new ATOM 0 HD3 ARG A 11 2.932 -11.266 6.487 1.00 1.62 H new ATOM 0 HE ARG A 11 4.408 -10.671 8.175 1.00 3.09 H new ATOM 0 HH11 ARG A 11 1.322 -11.602 9.628 1.00 5.02 H new ATOM 0 HH12 ARG A 11 1.943 -11.532 11.281 1.00 5.02 H new ATOM 0 HH21 ARG A 11 5.197 -10.521 10.320 1.00 5.89 H new ATOM 0 HH22 ARG A 11 4.131 -10.922 11.671 1.00 5.89 H new ATOM 171 N GLY A 12 -2.111 -8.689 8.195 1.00 0.71 N ATOM 172 CA GLY A 12 -2.751 -8.065 9.345 1.00 0.81 C ATOM 173 C GLY A 12 -4.114 -7.469 8.976 1.00 0.91 C ATOM 174 O GLY A 12 -4.900 -7.143 9.862 1.00 1.65 O ATOM 0 H GLY A 12 -2.578 -9.547 7.901 1.00 0.71 H new ATOM 0 HA2 GLY A 12 -2.878 -8.803 10.137 1.00 0.81 H new ATOM 0 HA3 GLY A 12 -2.105 -7.281 9.741 1.00 0.81 H new ATOM 178 N MET A 13 -4.419 -7.326 7.680 1.00 0.70 N ATOM 179 CA MET A 13 -5.727 -6.855 7.254 1.00 0.78 C ATOM 180 C MET A 13 -6.796 -7.889 7.604 1.00 0.88 C ATOM 181 O MET A 13 -6.810 -8.980 7.035 1.00 1.40 O ATOM 182 CB MET A 13 -5.762 -6.594 5.751 1.00 1.15 C ATOM 183 CG MET A 13 -4.747 -5.552 5.281 1.00 0.82 C ATOM 184 SD MET A 13 -5.232 -4.748 3.736 1.00 1.51 S ATOM 185 CE MET A 13 -5.496 -6.171 2.667 1.00 0.92 C ATOM 0 H MET A 13 -3.775 -7.531 6.916 1.00 0.70 H new ATOM 0 HA MET A 13 -5.927 -5.919 7.776 1.00 0.78 H new ATOM 0 HB2 MET A 13 -5.577 -7.531 5.225 1.00 1.15 H new ATOM 0 HB3 MET A 13 -6.763 -6.264 5.472 1.00 1.15 H new ATOM 0 HG2 MET A 13 -4.625 -4.795 6.056 1.00 0.82 H new ATOM 0 HG3 MET A 13 -3.777 -6.031 5.147 1.00 0.82 H new ATOM 0 HE1 MET A 13 -5.852 -5.834 1.693 1.00 0.92 H new ATOM 0 HE2 MET A 13 -4.558 -6.712 2.543 1.00 0.92 H new ATOM 0 HE3 MET A 13 -6.239 -6.831 3.116 1.00 0.92 H new ATOM 195 N THR A 14 -7.694 -7.530 8.520 1.00 0.90 N ATOM 196 CA THR A 14 -8.804 -8.357 8.951 1.00 1.23 C ATOM 197 C THR A 14 -9.971 -8.242 7.967 1.00 1.05 C ATOM 198 O THR A 14 -10.552 -9.243 7.556 1.00 2.34 O ATOM 199 CB THR A 14 -9.226 -7.862 10.342 1.00 1.95 C ATOM 200 OG1 THR A 14 -9.394 -6.453 10.288 1.00 3.69 O ATOM 201 CG2 THR A 14 -8.162 -8.203 11.391 1.00 1.31 C ATOM 0 H THR A 14 -7.662 -6.627 8.993 1.00 0.90 H new ATOM 0 HA THR A 14 -8.510 -9.406 8.988 1.00 1.23 H new ATOM 0 HB THR A 14 -10.157 -8.352 10.626 1.00 1.95 H new ATOM 0 HG1 THR A 14 -10.326 -6.243 10.070 1.00 3.69 H new ATOM 0 HG21 THR A 14 -8.485 -7.842 12.367 1.00 1.31 H new ATOM 0 HG22 THR A 14 -8.024 -9.283 11.431 1.00 1.31 H new ATOM 0 HG23 THR A 14 -7.219 -7.727 11.121 1.00 1.31 H new ATOM 209 N CYS A 15 -10.360 -7.003 7.657 1.00 0.76 N ATOM 210 CA CYS A 15 -11.655 -6.667 7.084 1.00 0.76 C ATOM 211 C CYS A 15 -11.663 -5.212 6.625 1.00 0.68 C ATOM 212 O CYS A 15 -10.722 -4.460 6.892 1.00 1.03 O ATOM 213 CB CYS A 15 -12.764 -6.890 8.124 1.00 1.21 C ATOM 214 SG CYS A 15 -12.637 -5.633 9.419 1.00 2.33 S ATOM 0 H CYS A 15 -9.764 -6.188 7.803 1.00 0.76 H new ATOM 0 HA CYS A 15 -11.837 -7.312 6.224 1.00 0.76 H new ATOM 0 HB2 CYS A 15 -13.742 -6.837 7.646 1.00 1.21 H new ATOM 0 HB3 CYS A 15 -12.675 -7.886 8.559 1.00 1.21 H new ATOM 0 HG CYS A 15 -13.576 -5.820 10.298 1.00 2.33 H new ATOM 220 N ALA A 16 -12.752 -4.853 5.938 1.00 0.58 N ATOM 221 CA ALA A 16 -13.061 -3.576 5.307 1.00 0.57 C ATOM 222 C ALA A 16 -12.438 -2.353 5.987 1.00 0.65 C ATOM 223 O ALA A 16 -11.858 -1.503 5.318 1.00 1.18 O ATOM 224 CB ALA A 16 -14.582 -3.449 5.242 1.00 0.66 C ATOM 0 H ALA A 16 -13.512 -5.520 5.799 1.00 0.58 H new ATOM 0 HA ALA A 16 -12.612 -3.582 4.314 1.00 0.57 H new ATOM 0 HB1 ALA A 16 -14.848 -2.501 4.774 1.00 0.66 H new ATOM 0 HB2 ALA A 16 -14.991 -4.271 4.655 1.00 0.66 H new ATOM 0 HB3 ALA A 16 -14.993 -3.483 6.251 1.00 0.66 H new ATOM 230 N SER A 17 -12.554 -2.248 7.310 1.00 0.51 N ATOM 231 CA SER A 17 -12.008 -1.119 8.044 1.00 0.55 C ATOM 232 C SER A 17 -10.473 -1.108 8.029 1.00 0.57 C ATOM 233 O SER A 17 -9.855 -0.076 7.786 1.00 0.85 O ATOM 234 CB SER A 17 -12.545 -1.167 9.471 1.00 0.95 C ATOM 235 OG SER A 17 -12.443 -2.485 9.975 1.00 1.23 O ATOM 0 H SER A 17 -13.025 -2.939 7.894 1.00 0.51 H new ATOM 0 HA SER A 17 -12.322 -0.195 7.559 1.00 0.55 H new ATOM 0 HB2 SER A 17 -11.983 -0.481 10.104 1.00 0.95 H new ATOM 0 HB3 SER A 17 -13.584 -0.840 9.490 1.00 0.95 H new ATOM 0 HG SER A 17 -12.787 -2.512 10.892 1.00 1.23 H new ATOM 241 N CYS A 18 -9.841 -2.250 8.315 1.00 0.59 N ATOM 242 CA CYS A 18 -8.387 -2.332 8.369 1.00 0.77 C ATOM 243 C CYS A 18 -7.849 -2.209 6.956 1.00 0.80 C ATOM 244 O CYS A 18 -6.809 -1.598 6.733 1.00 1.00 O ATOM 245 CB CYS A 18 -7.940 -3.646 9.014 1.00 1.10 C ATOM 246 SG CYS A 18 -8.099 -3.525 10.812 1.00 1.58 S ATOM 0 H CYS A 18 -10.319 -3.129 8.512 1.00 0.59 H new ATOM 0 HA CYS A 18 -7.993 -1.522 8.983 1.00 0.77 H new ATOM 0 HB2 CYS A 18 -8.546 -4.471 8.640 1.00 1.10 H new ATOM 0 HB3 CYS A 18 -6.906 -3.862 8.744 1.00 1.10 H new ATOM 0 HG CYS A 18 -8.638 -4.614 11.274 1.00 1.58 H new ATOM 252 N VAL A 19 -8.602 -2.771 6.011 1.00 0.75 N ATOM 253 CA VAL A 19 -8.424 -2.570 4.593 1.00 0.81 C ATOM 254 C VAL A 19 -8.367 -1.068 4.286 1.00 0.85 C ATOM 255 O VAL A 19 -7.287 -0.523 4.059 1.00 1.08 O ATOM 256 CB VAL A 19 -9.529 -3.359 3.861 1.00 0.78 C ATOM 257 CG1 VAL A 19 -9.838 -2.950 2.418 1.00 0.85 C ATOM 258 CG2 VAL A 19 -9.196 -4.852 3.895 1.00 0.94 C ATOM 0 H VAL A 19 -9.376 -3.398 6.230 1.00 0.75 H new ATOM 0 HA VAL A 19 -7.473 -2.959 4.228 1.00 0.81 H new ATOM 0 HB VAL A 19 -10.436 -3.115 4.413 1.00 0.78 H new ATOM 0 HG11 VAL A 19 -10.632 -3.583 2.022 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -10.159 -1.909 2.396 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -8.943 -3.066 1.807 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -9.976 -5.411 3.378 1.00 0.94 H new ATOM 0 HG22 VAL A 19 -8.239 -5.023 3.401 1.00 0.94 H new ATOM 0 HG23 VAL A 19 -9.135 -5.188 4.930 1.00 0.94 H new ATOM 268 N HIS A 20 -9.509 -0.375 4.267 1.00 0.66 N ATOM 269 CA HIS A 20 -9.535 0.956 3.674 1.00 0.73 C ATOM 270 C HIS A 20 -8.796 2.018 4.507 1.00 0.62 C ATOM 271 O HIS A 20 -8.434 3.069 3.979 1.00 0.65 O ATOM 272 CB HIS A 20 -10.932 1.369 3.186 1.00 0.83 C ATOM 273 CG HIS A 20 -11.862 1.900 4.239 1.00 0.77 C ATOM 274 ND1 HIS A 20 -12.916 2.762 4.051 1.00 1.16 N ATOM 275 CD2 HIS A 20 -11.778 1.635 5.571 1.00 0.67 C ATOM 276 CE1 HIS A 20 -13.457 2.996 5.261 1.00 1.11 C ATOM 277 NE2 HIS A 20 -12.795 2.332 6.223 1.00 0.86 N ATOM 0 H HIS A 20 -10.398 -0.703 4.643 1.00 0.66 H new ATOM 0 HA HIS A 20 -8.941 0.890 2.763 1.00 0.73 H new ATOM 0 HB2 HIS A 20 -10.816 2.129 2.414 1.00 0.83 H new ATOM 0 HB3 HIS A 20 -11.402 0.505 2.715 1.00 0.83 H new ATOM 0 HD2 HIS A 20 -11.048 0.994 6.043 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -14.311 3.634 5.436 1.00 1.11 H new ATOM 0 HE2 HIS A 20 -12.995 2.337 7.223 1.00 0.86 H new ATOM 285 N LYS A 21 -8.519 1.732 5.792 1.00 0.58 N ATOM 286 CA LYS A 21 -7.579 2.511 6.591 1.00 0.55 C ATOM 287 C LYS A 21 -6.319 2.767 5.762 1.00 0.47 C ATOM 288 O LYS A 21 -5.845 3.899 5.685 1.00 0.48 O ATOM 289 CB LYS A 21 -7.241 1.756 7.891 1.00 0.60 C ATOM 290 CG LYS A 21 -6.313 2.525 8.843 1.00 0.59 C ATOM 291 CD LYS A 21 -5.917 1.634 10.035 1.00 2.07 C ATOM 292 CE LYS A 21 -5.226 2.456 11.136 1.00 2.43 C ATOM 293 NZ LYS A 21 -4.717 1.624 12.249 1.00 3.99 N ATOM 0 H LYS A 21 -8.944 0.954 6.297 1.00 0.58 H new ATOM 0 HA LYS A 21 -8.024 3.467 6.865 1.00 0.55 H new ATOM 0 HB2 LYS A 21 -8.168 1.524 8.415 1.00 0.60 H new ATOM 0 HB3 LYS A 21 -6.773 0.805 7.635 1.00 0.60 H new ATOM 0 HG2 LYS A 21 -5.420 2.849 8.309 1.00 0.59 H new ATOM 0 HG3 LYS A 21 -6.813 3.424 9.202 1.00 0.59 H new ATOM 0 HD2 LYS A 21 -6.805 1.150 10.442 1.00 2.07 H new ATOM 0 HD3 LYS A 21 -5.249 0.842 9.695 1.00 2.07 H new ATOM 0 HE2 LYS A 21 -4.398 3.014 10.699 1.00 2.43 H new ATOM 0 HE3 LYS A 21 -5.930 3.188 11.530 1.00 2.43 H new ATOM 0 HZ1 LYS A 21 -5.053 2.011 13.154 1.00 3.99 H new ATOM 0 HZ2 LYS A 21 -5.062 0.649 12.140 1.00 3.99 H new ATOM 0 HZ3 LYS A 21 -3.677 1.626 12.237 1.00 3.99 H new ATOM 307 N ILE A 22 -5.796 1.710 5.132 1.00 0.43 N ATOM 308 CA ILE A 22 -4.616 1.813 4.297 1.00 0.40 C ATOM 309 C ILE A 22 -4.905 2.758 3.143 1.00 0.40 C ATOM 310 O ILE A 22 -4.272 3.806 3.045 1.00 0.40 O ATOM 311 CB ILE A 22 -4.168 0.430 3.798 1.00 0.41 C ATOM 312 CG1 ILE A 22 -3.826 -0.456 5.003 1.00 0.39 C ATOM 313 CG2 ILE A 22 -2.958 0.578 2.863 1.00 0.50 C ATOM 314 CD1 ILE A 22 -3.598 -1.909 4.602 1.00 0.48 C ATOM 0 H ILE A 22 -6.183 0.768 5.192 1.00 0.43 H new ATOM 0 HA ILE A 22 -3.791 2.217 4.885 1.00 0.40 H new ATOM 0 HB ILE A 22 -4.975 -0.040 3.235 1.00 0.41 H new ATOM 0 HG12 ILE A 22 -2.931 -0.071 5.493 1.00 0.39 H new ATOM 0 HG13 ILE A 22 -4.635 -0.404 5.731 1.00 0.39 H new ATOM 0 HG21 ILE A 22 -2.646 -0.406 2.513 1.00 0.50 H new ATOM 0 HG22 ILE A 22 -3.232 1.197 2.009 1.00 0.50 H new ATOM 0 HG23 ILE A 22 -2.136 1.048 3.403 1.00 0.50 H new ATOM 0 HD11 ILE A 22 -3.359 -2.498 5.488 1.00 0.48 H new ATOM 0 HD12 ILE A 22 -4.501 -2.304 4.137 1.00 0.48 H new ATOM 0 HD13 ILE A 22 -2.771 -1.966 3.894 1.00 0.48 H new ATOM 326 N GLU A 23 -5.830 2.378 2.257 1.00 0.44 N ATOM 327 CA GLU A 23 -5.979 3.061 0.983 1.00 0.50 C ATOM 328 C GLU A 23 -6.194 4.555 1.185 1.00 0.49 C ATOM 329 O GLU A 23 -5.463 5.369 0.620 1.00 0.57 O ATOM 330 CB GLU A 23 -7.017 2.359 0.094 1.00 0.69 C ATOM 331 CG GLU A 23 -8.475 2.516 0.515 1.00 1.58 C ATOM 332 CD GLU A 23 -9.118 3.851 0.159 1.00 3.08 C ATOM 333 OE1 GLU A 23 -8.862 4.331 -0.963 1.00 3.75 O ATOM 334 OE2 GLU A 23 -9.838 4.376 1.038 1.00 4.38 O ATOM 0 H GLU A 23 -6.480 1.605 2.403 1.00 0.44 H new ATOM 0 HA GLU A 23 -5.048 2.990 0.421 1.00 0.50 H new ATOM 0 HB2 GLU A 23 -6.910 2.737 -0.923 1.00 0.69 H new ATOM 0 HB3 GLU A 23 -6.781 1.295 0.065 1.00 0.69 H new ATOM 0 HG2 GLU A 23 -9.057 1.718 0.054 1.00 1.58 H new ATOM 0 HG3 GLU A 23 -8.541 2.376 1.594 1.00 1.58 H new ATOM 341 N SER A 24 -7.115 4.898 2.088 1.00 0.50 N ATOM 342 CA SER A 24 -7.360 6.272 2.468 1.00 0.59 C ATOM 343 C SER A 24 -6.039 6.894 2.913 1.00 0.68 C ATOM 344 O SER A 24 -5.586 7.861 2.305 1.00 1.07 O ATOM 345 CB SER A 24 -8.435 6.313 3.560 1.00 0.66 C ATOM 346 OG SER A 24 -8.694 7.637 4.008 1.00 1.05 O ATOM 0 H SER A 24 -7.707 4.223 2.571 1.00 0.50 H new ATOM 0 HA SER A 24 -7.738 6.856 1.629 1.00 0.59 H new ATOM 0 HB2 SER A 24 -9.356 5.874 3.177 1.00 0.66 H new ATOM 0 HB3 SER A 24 -8.117 5.701 4.404 1.00 0.66 H new ATOM 0 HG SER A 24 -7.993 7.913 4.634 1.00 1.05 H new ATOM 352 N SER A 25 -5.414 6.337 3.954 1.00 0.45 N ATOM 353 CA SER A 25 -4.203 6.894 4.540 1.00 0.43 C ATOM 354 C SER A 25 -3.129 7.150 3.482 1.00 0.45 C ATOM 355 O SER A 25 -2.473 8.187 3.507 1.00 0.68 O ATOM 356 CB SER A 25 -3.681 5.992 5.659 1.00 0.43 C ATOM 357 OG SER A 25 -2.630 6.651 6.338 1.00 0.88 O ATOM 0 H SER A 25 -5.739 5.485 4.411 1.00 0.45 H new ATOM 0 HA SER A 25 -4.458 7.860 4.975 1.00 0.43 H new ATOM 0 HB2 SER A 25 -4.486 5.753 6.355 1.00 0.43 H new ATOM 0 HB3 SER A 25 -3.327 5.048 5.245 1.00 0.43 H new ATOM 0 HG SER A 25 -2.929 6.905 7.236 1.00 0.88 H new ATOM 363 N LEU A 26 -2.933 6.224 2.543 1.00 0.36 N ATOM 364 CA LEU A 26 -1.933 6.445 1.515 1.00 0.42 C ATOM 365 C LEU A 26 -2.370 7.512 0.514 1.00 0.46 C ATOM 366 O LEU A 26 -1.669 8.494 0.289 1.00 0.47 O ATOM 367 CB LEU A 26 -1.458 5.160 0.859 1.00 0.45 C ATOM 368 CG LEU A 26 -1.096 4.077 1.883 1.00 0.50 C ATOM 369 CD1 LEU A 26 -0.729 2.822 1.107 1.00 1.65 C ATOM 370 CD2 LEU A 26 0.040 4.509 2.813 1.00 1.60 C ATOM 0 H LEU A 26 -3.440 5.341 2.477 1.00 0.36 H new ATOM 0 HA LEU A 26 -1.052 6.843 2.019 1.00 0.42 H new ATOM 0 HB2 LEU A 26 -2.238 4.784 0.197 1.00 0.45 H new ATOM 0 HB3 LEU A 26 -0.588 5.373 0.237 1.00 0.45 H new ATOM 0 HG LEU A 26 -1.950 3.891 2.534 1.00 0.50 H new ATOM 0 HD11 LEU A 26 -0.465 2.027 1.805 1.00 1.65 H new ATOM 0 HD12 LEU A 26 -1.579 2.506 0.502 1.00 1.65 H new ATOM 0 HD13 LEU A 26 0.121 3.032 0.457 1.00 1.65 H new ATOM 0 HD21 LEU A 26 0.258 3.707 3.518 1.00 1.60 H new ATOM 0 HD22 LEU A 26 0.931 4.725 2.223 1.00 1.60 H new ATOM 0 HD23 LEU A 26 -0.258 5.403 3.361 1.00 1.60 H new ATOM 382 N THR A 27 -3.545 7.365 -0.087 1.00 0.60 N ATOM 383 CA THR A 27 -4.064 8.371 -1.002 1.00 0.66 C ATOM 384 C THR A 27 -3.990 9.787 -0.401 1.00 0.73 C ATOM 385 O THR A 27 -3.720 10.746 -1.123 1.00 1.36 O ATOM 386 CB THR A 27 -5.474 7.936 -1.399 1.00 0.73 C ATOM 387 OG1 THR A 27 -5.378 6.727 -2.126 1.00 1.77 O ATOM 388 CG2 THR A 27 -6.225 8.966 -2.241 1.00 1.37 C ATOM 0 H THR A 27 -4.155 6.558 0.044 1.00 0.60 H new ATOM 0 HA THR A 27 -3.451 8.438 -1.901 1.00 0.66 H new ATOM 0 HB THR A 27 -6.045 7.817 -0.478 1.00 0.73 H new ATOM 0 HG1 THR A 27 -5.375 5.970 -1.503 1.00 1.77 H new ATOM 0 HG21 THR A 27 -7.217 8.585 -2.483 1.00 1.37 H new ATOM 0 HG22 THR A 27 -6.320 9.895 -1.679 1.00 1.37 H new ATOM 0 HG23 THR A 27 -5.674 9.154 -3.163 1.00 1.37 H new ATOM 396 N LYS A 28 -4.154 9.928 0.921 1.00 0.82 N ATOM 397 CA LYS A 28 -3.996 11.204 1.620 1.00 0.93 C ATOM 398 C LYS A 28 -2.675 11.920 1.329 1.00 0.90 C ATOM 399 O LYS A 28 -2.648 13.150 1.322 1.00 1.14 O ATOM 400 CB LYS A 28 -4.138 11.019 3.132 1.00 1.07 C ATOM 401 CG LYS A 28 -5.534 10.528 3.533 1.00 2.22 C ATOM 402 CD LYS A 28 -6.481 11.657 3.947 1.00 3.33 C ATOM 403 CE LYS A 28 -7.857 11.124 4.384 1.00 4.90 C ATOM 404 NZ LYS A 28 -8.477 10.202 3.403 1.00 6.11 N ATOM 0 H LYS A 28 -4.402 9.153 1.537 1.00 0.82 H new ATOM 0 HA LYS A 28 -4.795 11.837 1.233 1.00 0.93 H new ATOM 0 HB2 LYS A 28 -3.391 10.305 3.480 1.00 1.07 H new ATOM 0 HB3 LYS A 28 -3.931 11.965 3.632 1.00 1.07 H new ATOM 0 HG2 LYS A 28 -5.973 9.984 2.697 1.00 2.22 H new ATOM 0 HG3 LYS A 28 -5.439 9.822 4.358 1.00 2.22 H new ATOM 0 HD2 LYS A 28 -6.035 12.223 4.765 1.00 3.33 H new ATOM 0 HD3 LYS A 28 -6.608 12.348 3.113 1.00 3.33 H new ATOM 0 HE2 LYS A 28 -7.751 10.608 5.338 1.00 4.90 H new ATOM 0 HE3 LYS A 28 -8.527 11.967 4.551 1.00 4.90 H new ATOM 0 HZ1 LYS A 28 -9.379 10.601 3.073 1.00 6.11 H new ATOM 0 HZ2 LYS A 28 -7.837 10.076 2.593 1.00 6.11 H new ATOM 0 HZ3 LYS A 28 -8.650 9.281 3.854 1.00 6.11 H new ATOM 418 N HIS A 29 -1.583 11.185 1.095 1.00 0.75 N ATOM 419 CA HIS A 29 -0.309 11.793 0.722 1.00 0.88 C ATOM 420 C HIS A 29 -0.468 12.690 -0.513 1.00 1.20 C ATOM 421 O HIS A 29 0.311 13.621 -0.694 1.00 2.37 O ATOM 422 CB HIS A 29 0.728 10.708 0.411 1.00 0.83 C ATOM 423 CG HIS A 29 1.053 9.751 1.534 1.00 0.64 C ATOM 424 ND1 HIS A 29 0.936 8.394 1.463 1.00 1.44 N flip ATOM 425 CD2 HIS A 29 1.606 10.040 2.762 1.00 0.79 C flip ATOM 426 CE1 HIS A 29 1.392 7.834 2.649 1.00 1.11 C flip ATOM 427 NE2 HIS A 29 1.785 8.867 3.403 1.00 0.67 N flip ATOM 0 H HIS A 29 -1.560 10.167 1.158 1.00 0.75 H new ATOM 0 HA HIS A 29 0.027 12.398 1.565 1.00 0.88 H new ATOM 0 HB2 HIS A 29 0.372 10.128 -0.440 1.00 0.83 H new ATOM 0 HB3 HIS A 29 1.651 11.196 0.100 1.00 0.83 H new ATOM 0 HD2 HIS A 29 1.850 11.022 3.140 1.00 0.79 H new ATOM 0 HE1 HIS A 29 1.423 6.786 2.908 1.00 1.11 H new ATOM 0 HE2 HIS A 29 2.171 8.779 4.343 1.00 0.67 H new ATOM 435 N ARG A 30 -1.420 12.364 -1.398 1.00 1.74 N ATOM 436 CA ARG A 30 -1.661 13.019 -2.684 1.00 1.84 C ATOM 437 C ARG A 30 -0.582 12.669 -3.719 1.00 1.78 C ATOM 438 O ARG A 30 -0.654 13.116 -4.860 1.00 2.15 O ATOM 439 CB ARG A 30 -1.787 14.541 -2.496 1.00 2.08 C ATOM 440 CG ARG A 30 -2.661 15.208 -3.568 1.00 2.64 C ATOM 441 CD ARG A 30 -2.220 16.658 -3.795 1.00 2.84 C ATOM 442 NE ARG A 30 -2.134 17.402 -2.527 1.00 3.40 N ATOM 443 CZ ARG A 30 -1.502 18.576 -2.366 1.00 3.99 C ATOM 444 NH1 ARG A 30 -0.982 19.202 -3.427 1.00 3.99 N ATOM 445 NH2 ARG A 30 -1.393 19.117 -1.147 1.00 5.35 N ATOM 0 H ARG A 30 -2.072 11.599 -1.225 1.00 1.74 H new ATOM 0 HA ARG A 30 -2.605 12.642 -3.077 1.00 1.84 H new ATOM 0 HB2 ARG A 30 -2.209 14.746 -1.512 1.00 2.08 H new ATOM 0 HB3 ARG A 30 -0.793 14.988 -2.516 1.00 2.08 H new ATOM 0 HG2 ARG A 30 -2.591 14.650 -4.502 1.00 2.64 H new ATOM 0 HG3 ARG A 30 -3.706 15.184 -3.260 1.00 2.64 H new ATOM 0 HD2 ARG A 30 -1.250 16.671 -4.292 1.00 2.84 H new ATOM 0 HD3 ARG A 30 -2.926 17.154 -4.462 1.00 2.84 H new ATOM 0 HE ARG A 30 -2.589 16.995 -1.710 1.00 3.40 H new ATOM 0 HH11 ARG A 30 -1.066 18.788 -4.355 1.00 3.99 H new ATOM 0 HH12 ARG A 30 -0.501 20.094 -3.308 1.00 3.99 H new ATOM 0 HH21 ARG A 30 -1.790 18.638 -0.339 1.00 5.35 H new ATOM 0 HH22 ARG A 30 -0.913 20.009 -1.026 1.00 5.35 H new ATOM 459 N GLY A 31 0.410 11.865 -3.330 1.00 1.46 N ATOM 460 CA GLY A 31 1.480 11.409 -4.196 1.00 1.43 C ATOM 461 C GLY A 31 1.078 10.131 -4.916 1.00 1.32 C ATOM 462 O GLY A 31 1.290 9.975 -6.111 1.00 1.95 O ATOM 0 H GLY A 31 0.486 11.508 -2.377 1.00 1.46 H new ATOM 0 HA2 GLY A 31 1.720 12.183 -4.925 1.00 1.43 H new ATOM 0 HA3 GLY A 31 2.381 11.234 -3.608 1.00 1.43 H new ATOM 466 N ILE A 32 0.445 9.224 -4.177 1.00 0.86 N ATOM 467 CA ILE A 32 0.089 7.911 -4.678 1.00 0.60 C ATOM 468 C ILE A 32 -1.103 8.097 -5.622 1.00 0.65 C ATOM 469 O ILE A 32 -2.110 8.698 -5.246 1.00 0.99 O ATOM 470 CB ILE A 32 -0.277 7.016 -3.480 1.00 0.60 C ATOM 471 CG1 ILE A 32 0.932 6.508 -2.687 1.00 1.69 C ATOM 472 CG2 ILE A 32 -1.088 5.790 -3.907 1.00 2.00 C ATOM 473 CD1 ILE A 32 1.583 7.634 -1.895 1.00 3.04 C ATOM 0 H ILE A 32 0.166 9.386 -3.209 1.00 0.86 H new ATOM 0 HA ILE A 32 0.909 7.437 -5.218 1.00 0.60 H new ATOM 0 HB ILE A 32 -0.867 7.671 -2.839 1.00 0.60 H new ATOM 0 HG12 ILE A 32 0.618 5.716 -2.007 1.00 1.69 H new ATOM 0 HG13 ILE A 32 1.661 6.071 -3.370 1.00 1.69 H new ATOM 0 HG21 ILE A 32 -1.324 5.187 -3.030 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -2.013 6.114 -4.385 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -0.505 5.195 -4.610 1.00 2.00 H new ATOM 0 HD11 ILE A 32 2.438 7.243 -1.343 1.00 3.04 H new ATOM 0 HD12 ILE A 32 1.919 8.413 -2.579 1.00 3.04 H new ATOM 0 HD13 ILE A 32 0.859 8.052 -1.195 1.00 3.04 H new ATOM 485 N LEU A 33 -0.974 7.599 -6.855 1.00 0.52 N ATOM 486 CA LEU A 33 -1.947 7.804 -7.915 1.00 0.59 C ATOM 487 C LEU A 33 -3.116 6.849 -7.738 1.00 0.55 C ATOM 488 O LEU A 33 -4.261 7.221 -7.983 1.00 0.62 O ATOM 489 CB LEU A 33 -1.306 7.605 -9.300 1.00 0.70 C ATOM 490 CG LEU A 33 -0.156 8.560 -9.681 1.00 0.85 C ATOM 491 CD1 LEU A 33 -0.454 10.018 -9.315 1.00 2.75 C ATOM 492 CD2 LEU A 33 1.202 8.132 -9.110 1.00 2.14 C ATOM 0 H LEU A 33 -0.175 7.034 -7.142 1.00 0.52 H new ATOM 0 HA LEU A 33 -2.309 8.830 -7.853 1.00 0.59 H new ATOM 0 HB2 LEU A 33 -0.931 6.583 -9.356 1.00 0.70 H new ATOM 0 HB3 LEU A 33 -2.089 7.699 -10.053 1.00 0.70 H new ATOM 0 HG LEU A 33 -0.087 8.493 -10.767 1.00 0.85 H new ATOM 0 HD11 LEU A 33 0.389 10.646 -9.605 1.00 2.75 H new ATOM 0 HD12 LEU A 33 -1.351 10.349 -9.839 1.00 2.75 H new ATOM 0 HD13 LEU A 33 -0.612 10.098 -8.240 1.00 2.75 H new ATOM 0 HD21 LEU A 33 1.967 8.846 -9.415 1.00 2.14 H new ATOM 0 HD22 LEU A 33 1.146 8.103 -8.022 1.00 2.14 H new ATOM 0 HD23 LEU A 33 1.459 7.142 -9.487 1.00 2.14 H new ATOM 504 N TYR A 34 -2.835 5.611 -7.327 1.00 0.50 N ATOM 505 CA TYR A 34 -3.878 4.633 -7.089 1.00 0.51 C ATOM 506 C TYR A 34 -3.411 3.644 -6.029 1.00 0.46 C ATOM 507 O TYR A 34 -2.205 3.508 -5.831 1.00 0.48 O ATOM 508 CB TYR A 34 -4.253 3.951 -8.410 1.00 0.66 C ATOM 509 CG TYR A 34 -5.562 3.213 -8.325 1.00 0.70 C ATOM 510 CD1 TYR A 34 -6.717 3.911 -7.932 1.00 1.66 C ATOM 511 CD2 TYR A 34 -5.588 1.813 -8.425 1.00 1.91 C ATOM 512 CE1 TYR A 34 -7.827 3.206 -7.451 1.00 1.70 C ATOM 513 CE2 TYR A 34 -6.741 1.113 -8.043 1.00 2.08 C ATOM 514 CZ TYR A 34 -7.827 1.802 -7.474 1.00 1.16 C ATOM 515 OH TYR A 34 -8.834 1.112 -6.871 1.00 1.60 O ATOM 0 H TYR A 34 -1.890 5.269 -7.154 1.00 0.50 H new ATOM 0 HA TYR A 34 -4.778 5.116 -6.709 1.00 0.51 H new ATOM 0 HB2 TYR A 34 -4.313 4.701 -9.199 1.00 0.66 H new ATOM 0 HB3 TYR A 34 -3.464 3.254 -8.692 1.00 0.66 H new ATOM 0 HD1 TYR A 34 -6.748 4.988 -8.001 1.00 1.66 H new ATOM 0 HD2 TYR A 34 -4.725 1.279 -8.794 1.00 1.91 H new ATOM 0 HE1 TYR A 34 -8.681 3.741 -7.063 1.00 1.70 H new ATOM 0 HE2 TYR A 34 -6.795 0.044 -8.186 1.00 2.08 H new ATOM 0 HH TYR A 34 -9.192 0.445 -7.493 1.00 1.60 H new ATOM 525 N CYS A 35 -4.348 3.013 -5.314 1.00 0.51 N ATOM 526 CA CYS A 35 -4.038 2.313 -4.072 1.00 0.50 C ATOM 527 C CYS A 35 -5.052 1.207 -3.764 1.00 0.67 C ATOM 528 O CYS A 35 -5.765 1.256 -2.763 1.00 1.53 O ATOM 529 CB CYS A 35 -3.942 3.343 -2.944 1.00 0.73 C ATOM 530 SG CYS A 35 -3.270 2.509 -1.501 1.00 1.83 S ATOM 0 H CYS A 35 -5.332 2.975 -5.580 1.00 0.51 H new ATOM 0 HA CYS A 35 -3.079 1.804 -4.175 1.00 0.50 H new ATOM 0 HB2 CYS A 35 -3.302 4.174 -3.238 1.00 0.73 H new ATOM 0 HB3 CYS A 35 -4.924 3.760 -2.722 1.00 0.73 H new ATOM 0 HG CYS A 35 -3.983 1.454 -1.238 1.00 1.83 H new ATOM 536 N SER A 36 -5.117 0.193 -4.628 1.00 0.49 N ATOM 537 CA SER A 36 -6.042 -0.925 -4.472 1.00 0.51 C ATOM 538 C SER A 36 -5.485 -1.921 -3.457 1.00 0.48 C ATOM 539 O SER A 36 -4.646 -2.747 -3.819 1.00 0.49 O ATOM 540 CB SER A 36 -6.329 -1.624 -5.814 1.00 0.70 C ATOM 541 OG SER A 36 -7.620 -1.288 -6.292 1.00 1.30 O ATOM 0 H SER A 36 -4.527 0.126 -5.457 1.00 0.49 H new ATOM 0 HA SER A 36 -6.989 -0.529 -4.106 1.00 0.51 H new ATOM 0 HB2 SER A 36 -5.578 -1.333 -6.548 1.00 0.70 H new ATOM 0 HB3 SER A 36 -6.252 -2.704 -5.690 1.00 0.70 H new ATOM 0 HG SER A 36 -7.616 -0.366 -6.625 1.00 1.30 H new ATOM 547 N VAL A 37 -5.961 -1.876 -2.209 1.00 0.51 N ATOM 548 CA VAL A 37 -5.611 -2.879 -1.212 1.00 0.46 C ATOM 549 C VAL A 37 -6.601 -4.052 -1.267 1.00 0.50 C ATOM 550 O VAL A 37 -7.689 -4.025 -0.695 1.00 0.62 O ATOM 551 CB VAL A 37 -5.316 -2.225 0.150 1.00 0.55 C ATOM 552 CG1 VAL A 37 -6.527 -2.036 1.058 1.00 1.22 C ATOM 553 CG2 VAL A 37 -4.258 -3.047 0.889 1.00 1.55 C ATOM 0 H VAL A 37 -6.592 -1.150 -1.869 1.00 0.51 H new ATOM 0 HA VAL A 37 -4.659 -3.359 -1.438 1.00 0.46 H new ATOM 0 HB VAL A 37 -4.963 -1.220 -0.082 1.00 0.55 H new ATOM 0 HG11 VAL A 37 -6.213 -1.568 1.991 1.00 1.22 H new ATOM 0 HG12 VAL A 37 -7.258 -1.399 0.561 1.00 1.22 H new ATOM 0 HG13 VAL A 37 -6.976 -3.006 1.272 1.00 1.22 H new ATOM 0 HG21 VAL A 37 -4.047 -2.586 1.854 1.00 1.55 H new ATOM 0 HG22 VAL A 37 -4.628 -4.061 1.044 1.00 1.55 H new ATOM 0 HG23 VAL A 37 -3.344 -3.081 0.296 1.00 1.55 H new ATOM 563 N ALA A 38 -6.231 -5.079 -2.034 1.00 0.55 N ATOM 564 CA ALA A 38 -7.056 -6.230 -2.352 1.00 0.64 C ATOM 565 C ALA A 38 -6.925 -7.285 -1.251 1.00 0.57 C ATOM 566 O ALA A 38 -5.997 -8.099 -1.265 1.00 0.59 O ATOM 567 CB ALA A 38 -6.643 -6.774 -3.722 1.00 0.79 C ATOM 0 H ALA A 38 -5.308 -5.127 -2.465 1.00 0.55 H new ATOM 0 HA ALA A 38 -8.107 -5.944 -2.402 1.00 0.64 H new ATOM 0 HB1 ALA A 38 -7.257 -7.639 -3.970 1.00 0.79 H new ATOM 0 HB2 ALA A 38 -6.783 -6.001 -4.478 1.00 0.79 H new ATOM 0 HB3 ALA A 38 -5.594 -7.069 -3.695 1.00 0.79 H new ATOM 573 N LEU A 39 -7.881 -7.271 -0.315 1.00 0.61 N ATOM 574 CA LEU A 39 -7.995 -8.188 0.811 1.00 0.66 C ATOM 575 C LEU A 39 -7.917 -9.653 0.384 1.00 0.60 C ATOM 576 O LEU A 39 -7.293 -10.453 1.075 1.00 0.68 O ATOM 577 CB LEU A 39 -9.308 -7.891 1.554 1.00 0.85 C ATOM 578 CG LEU A 39 -9.561 -8.785 2.782 1.00 0.89 C ATOM 579 CD1 LEU A 39 -8.509 -8.596 3.881 1.00 2.04 C ATOM 580 CD2 LEU A 39 -10.952 -8.506 3.361 1.00 2.33 C ATOM 0 H LEU A 39 -8.632 -6.581 -0.329 1.00 0.61 H new ATOM 0 HA LEU A 39 -7.147 -8.029 1.477 1.00 0.66 H new ATOM 0 HB2 LEU A 39 -9.303 -6.849 1.874 1.00 0.85 H new ATOM 0 HB3 LEU A 39 -10.139 -8.007 0.858 1.00 0.85 H new ATOM 0 HG LEU A 39 -9.494 -9.816 2.436 1.00 0.89 H new ATOM 0 HD11 LEU A 39 -8.739 -9.251 4.721 1.00 2.04 H new ATOM 0 HD12 LEU A 39 -7.523 -8.843 3.487 1.00 2.04 H new ATOM 0 HD13 LEU A 39 -8.516 -7.559 4.217 1.00 2.04 H new ATOM 0 HD21 LEU A 39 -11.120 -9.144 4.229 1.00 2.33 H new ATOM 0 HD22 LEU A 39 -11.018 -7.460 3.661 1.00 2.33 H new ATOM 0 HD23 LEU A 39 -11.709 -8.715 2.605 1.00 2.33 H new ATOM 592 N ALA A 40 -8.532 -10.002 -0.750 1.00 0.58 N ATOM 593 CA ALA A 40 -8.584 -11.379 -1.234 1.00 0.66 C ATOM 594 C ALA A 40 -7.174 -11.960 -1.363 1.00 0.72 C ATOM 595 O ALA A 40 -6.890 -13.053 -0.885 1.00 1.13 O ATOM 596 CB ALA A 40 -9.326 -11.425 -2.573 1.00 0.75 C ATOM 0 H ALA A 40 -9.008 -9.334 -1.357 1.00 0.58 H new ATOM 0 HA ALA A 40 -9.127 -11.991 -0.514 1.00 0.66 H new ATOM 0 HB1 ALA A 40 -9.364 -12.453 -2.933 1.00 0.75 H new ATOM 0 HB2 ALA A 40 -10.341 -11.049 -2.440 1.00 0.75 H new ATOM 0 HB3 ALA A 40 -8.802 -10.805 -3.301 1.00 0.75 H new ATOM 602 N THR A 41 -6.287 -11.203 -2.008 1.00 0.57 N ATOM 603 CA THR A 41 -4.874 -11.514 -2.128 1.00 0.60 C ATOM 604 C THR A 41 -4.106 -11.106 -0.864 1.00 0.68 C ATOM 605 O THR A 41 -3.011 -11.601 -0.620 1.00 1.23 O ATOM 606 CB THR A 41 -4.349 -10.763 -3.356 1.00 0.85 C ATOM 607 OG1 THR A 41 -4.971 -9.489 -3.450 1.00 2.26 O ATOM 608 CG2 THR A 41 -4.691 -11.530 -4.636 1.00 1.84 C ATOM 0 H THR A 41 -6.545 -10.333 -2.473 1.00 0.57 H new ATOM 0 HA THR A 41 -4.730 -12.588 -2.244 1.00 0.60 H new ATOM 0 HB THR A 41 -3.269 -10.661 -3.248 1.00 0.85 H new ATOM 0 HG1 THR A 41 -5.110 -9.126 -2.551 1.00 2.26 H new ATOM 0 HG21 THR A 41 -4.312 -10.984 -5.500 1.00 1.84 H new ATOM 0 HG22 THR A 41 -4.233 -12.518 -4.601 1.00 1.84 H new ATOM 0 HG23 THR A 41 -5.773 -11.635 -4.719 1.00 1.84 H new ATOM 616 N ASN A 42 -4.662 -10.162 -0.101 1.00 0.58 N ATOM 617 CA ASN A 42 -4.009 -9.458 0.992 1.00 0.58 C ATOM 618 C ASN A 42 -2.771 -8.755 0.429 1.00 0.45 C ATOM 619 O ASN A 42 -1.637 -8.968 0.850 1.00 0.49 O ATOM 620 CB ASN A 42 -3.771 -10.384 2.199 1.00 0.82 C ATOM 621 CG ASN A 42 -4.152 -9.705 3.518 1.00 1.20 C ATOM 622 OD1 ASN A 42 -3.543 -8.729 3.941 1.00 2.97 O ATOM 623 ND2 ASN A 42 -5.202 -10.195 4.179 1.00 1.27 N ATOM 0 H ASN A 42 -5.626 -9.857 -0.240 1.00 0.58 H new ATOM 0 HA ASN A 42 -4.648 -8.680 1.409 1.00 0.58 H new ATOM 0 HB2 ASN A 42 -4.354 -11.297 2.078 1.00 0.82 H new ATOM 0 HB3 ASN A 42 -2.722 -10.678 2.231 1.00 0.82 H new ATOM 0 HD21 ASN A 42 -5.507 -9.757 5.048 1.00 1.27 H new ATOM 0 HD22 ASN A 42 -5.700 -11.008 3.815 1.00 1.27 H new ATOM 630 N LYS A 43 -3.010 -7.927 -0.593 1.00 0.43 N ATOM 631 CA LYS A 43 -1.973 -7.241 -1.352 1.00 0.40 C ATOM 632 C LYS A 43 -2.395 -5.791 -1.551 1.00 0.38 C ATOM 633 O LYS A 43 -3.578 -5.523 -1.748 1.00 0.44 O ATOM 634 CB LYS A 43 -1.728 -7.994 -2.674 1.00 0.48 C ATOM 635 CG LYS A 43 -1.212 -7.160 -3.862 1.00 0.52 C ATOM 636 CD LYS A 43 -2.370 -6.605 -4.711 1.00 0.68 C ATOM 637 CE LYS A 43 -2.924 -7.629 -5.713 1.00 0.68 C ATOM 638 NZ LYS A 43 -2.002 -7.848 -6.845 1.00 1.00 N ATOM 0 H LYS A 43 -3.953 -7.714 -0.919 1.00 0.43 H new ATOM 0 HA LYS A 43 -1.023 -7.232 -0.817 1.00 0.40 H new ATOM 0 HB2 LYS A 43 -1.011 -8.793 -2.483 1.00 0.48 H new ATOM 0 HB3 LYS A 43 -2.662 -8.469 -2.973 1.00 0.48 H new ATOM 0 HG2 LYS A 43 -0.604 -6.335 -3.491 1.00 0.52 H new ATOM 0 HG3 LYS A 43 -0.565 -7.777 -4.486 1.00 0.52 H new ATOM 0 HD2 LYS A 43 -3.174 -6.280 -4.051 1.00 0.68 H new ATOM 0 HD3 LYS A 43 -2.026 -5.724 -5.253 1.00 0.68 H new ATOM 0 HE2 LYS A 43 -3.103 -8.575 -5.203 1.00 0.68 H new ATOM 0 HE3 LYS A 43 -3.886 -7.283 -6.091 1.00 0.68 H new ATOM 0 HZ1 LYS A 43 -2.456 -8.466 -7.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.770 -6.935 -7.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -1.130 -8.297 -6.500 1.00 1.00 H new ATOM 652 N ALA A 44 -1.428 -4.874 -1.527 1.00 0.39 N ATOM 653 CA ALA A 44 -1.608 -3.477 -1.879 1.00 0.40 C ATOM 654 C ALA A 44 -1.005 -3.237 -3.256 1.00 0.39 C ATOM 655 O ALA A 44 0.204 -3.371 -3.423 1.00 0.41 O ATOM 656 CB ALA A 44 -1.005 -2.573 -0.799 1.00 0.47 C ATOM 0 H ALA A 44 -0.471 -5.096 -1.253 1.00 0.39 H new ATOM 0 HA ALA A 44 -2.668 -3.228 -1.929 1.00 0.40 H new ATOM 0 HB1 ALA A 44 -1.148 -1.529 -1.077 1.00 0.47 H new ATOM 0 HB2 ALA A 44 -1.498 -2.765 0.154 1.00 0.47 H new ATOM 0 HB3 ALA A 44 0.061 -2.781 -0.704 1.00 0.47 H new ATOM 662 N HIS A 45 -1.854 -2.921 -4.233 1.00 0.47 N ATOM 663 CA HIS A 45 -1.477 -2.398 -5.530 1.00 0.47 C ATOM 664 C HIS A 45 -1.412 -0.882 -5.368 1.00 0.49 C ATOM 665 O HIS A 45 -2.430 -0.205 -5.540 1.00 0.55 O ATOM 666 CB HIS A 45 -2.541 -2.833 -6.552 1.00 0.54 C ATOM 667 CG HIS A 45 -2.226 -2.556 -8.000 1.00 0.56 C ATOM 668 ND1 HIS A 45 -2.176 -3.485 -9.010 1.00 0.77 N ATOM 669 CD2 HIS A 45 -1.751 -1.386 -8.511 1.00 0.58 C ATOM 670 CE1 HIS A 45 -1.722 -2.865 -10.113 1.00 0.78 C ATOM 671 NE2 HIS A 45 -1.462 -1.570 -9.866 1.00 0.65 N ATOM 0 H HIS A 45 -2.863 -3.030 -4.131 1.00 0.47 H new ATOM 0 HA HIS A 45 -0.516 -2.768 -5.886 1.00 0.47 H new ATOM 0 HB2 HIS A 45 -2.709 -3.904 -6.437 1.00 0.54 H new ATOM 0 HB3 HIS A 45 -3.478 -2.335 -6.304 1.00 0.54 H new ATOM 0 HD1 HIS A 45 -2.436 -4.468 -8.937 1.00 0.77 H new ATOM 0 HD2 HIS A 45 -1.619 -0.467 -7.959 1.00 0.58 H new ATOM 0 HE1 HIS A 45 -1.584 -3.344 -11.071 1.00 0.78 H new ATOM 679 N ILE A 46 -0.232 -0.355 -5.031 1.00 0.55 N ATOM 680 CA ILE A 46 0.020 1.075 -5.048 1.00 0.53 C ATOM 681 C ILE A 46 0.643 1.421 -6.397 1.00 0.54 C ATOM 682 O ILE A 46 1.665 0.857 -6.777 1.00 0.81 O ATOM 683 CB ILE A 46 0.903 1.518 -3.864 1.00 0.61 C ATOM 684 CG1 ILE A 46 0.065 1.726 -2.593 1.00 1.12 C ATOM 685 CG2 ILE A 46 1.593 2.857 -4.155 1.00 0.78 C ATOM 686 CD1 ILE A 46 -0.540 0.430 -2.066 1.00 1.45 C ATOM 0 H ILE A 46 0.570 -0.913 -4.740 1.00 0.55 H new ATOM 0 HA ILE A 46 -0.916 1.621 -4.927 1.00 0.53 H new ATOM 0 HB ILE A 46 1.638 0.726 -3.721 1.00 0.61 H new ATOM 0 HG12 ILE A 46 0.691 2.170 -1.819 1.00 1.12 H new ATOM 0 HG13 ILE A 46 -0.735 2.436 -2.803 1.00 1.12 H new ATOM 0 HG21 ILE A 46 2.208 3.142 -3.302 1.00 0.78 H new ATOM 0 HG22 ILE A 46 2.223 2.757 -5.039 1.00 0.78 H new ATOM 0 HG23 ILE A 46 0.839 3.624 -4.331 1.00 0.78 H new ATOM 0 HD11 ILE A 46 -1.121 0.639 -1.168 1.00 1.45 H new ATOM 0 HD12 ILE A 46 -1.190 -0.003 -2.826 1.00 1.45 H new ATOM 0 HD13 ILE A 46 0.258 -0.273 -1.827 1.00 1.45 H new ATOM 698 N LYS A 47 0.038 2.375 -7.101 1.00 0.46 N ATOM 699 CA LYS A 47 0.669 3.071 -8.203 1.00 0.50 C ATOM 700 C LYS A 47 1.225 4.378 -7.641 1.00 0.50 C ATOM 701 O LYS A 47 0.444 5.255 -7.267 1.00 0.61 O ATOM 702 CB LYS A 47 -0.362 3.331 -9.304 1.00 0.60 C ATOM 703 CG LYS A 47 -0.598 2.080 -10.160 1.00 0.77 C ATOM 704 CD LYS A 47 0.491 1.978 -11.242 1.00 1.86 C ATOM 705 CE LYS A 47 0.250 0.787 -12.173 1.00 2.54 C ATOM 706 NZ LYS A 47 1.263 0.742 -13.247 1.00 3.61 N ATOM 0 H LYS A 47 -0.916 2.685 -6.914 1.00 0.46 H new ATOM 0 HA LYS A 47 1.473 2.483 -8.645 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.303 3.649 -8.855 1.00 0.60 H new ATOM 0 HB3 LYS A 47 -0.020 4.148 -9.939 1.00 0.60 H new ATOM 0 HG2 LYS A 47 -0.584 1.190 -9.531 1.00 0.77 H new ATOM 0 HG3 LYS A 47 -1.583 2.126 -10.625 1.00 0.77 H new ATOM 0 HD2 LYS A 47 0.512 2.898 -11.826 1.00 1.86 H new ATOM 0 HD3 LYS A 47 1.468 1.878 -10.768 1.00 1.86 H new ATOM 0 HE2 LYS A 47 0.281 -0.140 -11.600 1.00 2.54 H new ATOM 0 HE3 LYS A 47 -0.746 0.858 -12.610 1.00 2.54 H new ATOM 0 HZ1 LYS A 47 1.151 -0.136 -13.793 1.00 3.61 H new ATOM 0 HZ2 LYS A 47 1.138 1.560 -13.877 1.00 3.61 H new ATOM 0 HZ3 LYS A 47 2.215 0.770 -12.828 1.00 3.61 H new ATOM 720 N TYR A 48 2.553 4.496 -7.561 1.00 0.63 N ATOM 721 CA TYR A 48 3.239 5.713 -7.134 1.00 0.60 C ATOM 722 C TYR A 48 4.246 6.112 -8.207 1.00 0.58 C ATOM 723 O TYR A 48 4.665 5.262 -8.990 1.00 0.81 O ATOM 724 CB TYR A 48 3.932 5.504 -5.777 1.00 0.79 C ATOM 725 CG TYR A 48 5.258 4.760 -5.829 1.00 0.88 C ATOM 726 CD1 TYR A 48 5.297 3.404 -6.198 1.00 1.43 C ATOM 727 CD2 TYR A 48 6.466 5.444 -5.597 1.00 2.07 C ATOM 728 CE1 TYR A 48 6.532 2.772 -6.429 1.00 1.57 C ATOM 729 CE2 TYR A 48 7.691 4.761 -5.661 1.00 2.14 C ATOM 730 CZ TYR A 48 7.727 3.436 -6.122 1.00 1.22 C ATOM 731 OH TYR A 48 8.916 2.787 -6.269 1.00 1.41 O ATOM 0 H TYR A 48 3.190 3.735 -7.796 1.00 0.63 H new ATOM 0 HA TYR A 48 2.512 6.515 -7.005 1.00 0.60 H new ATOM 0 HB2 TYR A 48 4.100 6.479 -5.320 1.00 0.79 H new ATOM 0 HB3 TYR A 48 3.254 4.957 -5.122 1.00 0.79 H new ATOM 0 HD1 TYR A 48 4.378 2.847 -6.304 1.00 1.43 H new ATOM 0 HD2 TYR A 48 6.451 6.499 -5.369 1.00 2.07 H new ATOM 0 HE1 TYR A 48 6.559 1.775 -6.843 1.00 1.57 H new ATOM 0 HE2 TYR A 48 8.603 5.254 -5.356 1.00 2.14 H new ATOM 0 HH TYR A 48 9.649 3.386 -6.016 1.00 1.41 H new ATOM 741 N ASP A 49 4.645 7.381 -8.235 1.00 0.63 N ATOM 742 CA ASP A 49 5.687 7.903 -9.098 1.00 0.84 C ATOM 743 C ASP A 49 6.997 7.975 -8.291 1.00 0.81 C ATOM 744 O ASP A 49 7.083 8.741 -7.327 1.00 0.89 O ATOM 745 CB ASP A 49 5.249 9.261 -9.673 1.00 1.14 C ATOM 746 CG ASP A 49 4.785 10.287 -8.649 1.00 2.83 C ATOM 747 OD1 ASP A 49 4.191 9.867 -7.629 1.00 4.11 O ATOM 748 OD2 ASP A 49 5.001 11.483 -8.935 1.00 3.88 O ATOM 0 H ASP A 49 4.233 8.095 -7.634 1.00 0.63 H new ATOM 0 HA ASP A 49 5.862 7.250 -9.953 1.00 0.84 H new ATOM 0 HB2 ASP A 49 6.082 9.684 -10.234 1.00 1.14 H new ATOM 0 HB3 ASP A 49 4.440 9.091 -10.384 1.00 1.14 H new ATOM 753 N PRO A 50 8.019 7.165 -8.635 1.00 0.89 N ATOM 754 CA PRO A 50 9.269 7.066 -7.888 1.00 1.05 C ATOM 755 C PRO A 50 10.147 8.296 -8.127 1.00 1.43 C ATOM 756 O PRO A 50 11.191 8.224 -8.773 1.00 2.89 O ATOM 757 CB PRO A 50 9.925 5.764 -8.363 1.00 1.07 C ATOM 758 CG PRO A 50 9.433 5.635 -9.801 1.00 1.12 C ATOM 759 CD PRO A 50 8.015 6.201 -9.725 1.00 0.99 C ATOM 0 HA PRO A 50 9.109 7.041 -6.810 1.00 1.05 H new ATOM 0 HB2 PRO A 50 11.012 5.818 -8.312 1.00 1.07 H new ATOM 0 HB3 PRO A 50 9.620 4.913 -7.754 1.00 1.07 H new ATOM 0 HG2 PRO A 50 10.057 6.199 -10.494 1.00 1.12 H new ATOM 0 HG3 PRO A 50 9.437 4.599 -10.139 1.00 1.12 H new ATOM 0 HD2 PRO A 50 7.735 6.677 -10.665 1.00 0.99 H new ATOM 0 HD3 PRO A 50 7.289 5.409 -9.541 1.00 0.99 H new ATOM 767 N GLU A 51 9.702 9.427 -7.586 1.00 0.72 N ATOM 768 CA GLU A 51 10.288 10.739 -7.784 1.00 0.92 C ATOM 769 C GLU A 51 9.782 11.695 -6.701 1.00 0.87 C ATOM 770 O GLU A 51 10.582 12.407 -6.098 1.00 1.20 O ATOM 771 CB GLU A 51 10.040 11.234 -9.223 1.00 1.18 C ATOM 772 CG GLU A 51 8.625 10.966 -9.756 1.00 1.70 C ATOM 773 CD GLU A 51 8.503 11.287 -11.233 1.00 2.83 C ATOM 774 OE1 GLU A 51 8.277 12.463 -11.596 1.00 3.78 O ATOM 775 OE2 GLU A 51 8.581 10.345 -12.057 1.00 3.59 O ATOM 0 H GLU A 51 8.888 9.449 -6.972 1.00 0.72 H new ATOM 0 HA GLU A 51 11.371 10.689 -7.676 1.00 0.92 H new ATOM 0 HB2 GLU A 51 10.232 12.306 -9.263 1.00 1.18 H new ATOM 0 HB3 GLU A 51 10.761 10.756 -9.887 1.00 1.18 H new ATOM 0 HG2 GLU A 51 8.367 9.920 -9.590 1.00 1.70 H new ATOM 0 HG3 GLU A 51 7.907 11.564 -9.195 1.00 1.70 H new ATOM 782 N ILE A 52 8.473 11.689 -6.416 1.00 0.85 N ATOM 783 CA ILE A 52 7.891 12.510 -5.357 1.00 0.97 C ATOM 784 C ILE A 52 7.811 11.742 -4.039 1.00 0.92 C ATOM 785 O ILE A 52 7.953 12.348 -2.979 1.00 1.34 O ATOM 786 CB ILE A 52 6.547 13.116 -5.798 1.00 1.16 C ATOM 787 CG1 ILE A 52 5.424 12.083 -5.873 1.00 1.71 C ATOM 788 CG2 ILE A 52 6.689 13.812 -7.154 1.00 1.59 C ATOM 789 CD1 ILE A 52 4.655 11.996 -4.563 1.00 2.90 C ATOM 0 H ILE A 52 7.793 11.115 -6.914 1.00 0.85 H new ATOM 0 HA ILE A 52 8.555 13.354 -5.170 1.00 0.97 H new ATOM 0 HB ILE A 52 6.274 13.842 -5.033 1.00 1.16 H new ATOM 0 HG12 ILE A 52 4.740 12.346 -6.680 1.00 1.71 H new ATOM 0 HG13 ILE A 52 5.843 11.106 -6.115 1.00 1.71 H new ATOM 0 HG21 ILE A 52 5.728 14.234 -7.449 1.00 1.59 H new ATOM 0 HG22 ILE A 52 7.428 14.610 -7.078 1.00 1.59 H new ATOM 0 HG23 ILE A 52 7.012 13.088 -7.902 1.00 1.59 H new ATOM 0 HD11 ILE A 52 3.864 11.251 -4.654 1.00 2.90 H new ATOM 0 HD12 ILE A 52 5.334 11.708 -3.761 1.00 2.90 H new ATOM 0 HD13 ILE A 52 4.215 12.967 -4.334 1.00 2.90 H new ATOM 801 N ILE A 53 7.577 10.425 -4.091 1.00 0.68 N ATOM 802 CA ILE A 53 7.537 9.578 -2.908 1.00 0.61 C ATOM 803 C ILE A 53 8.382 8.332 -3.173 1.00 0.97 C ATOM 804 O ILE A 53 8.481 7.894 -4.321 1.00 2.46 O ATOM 805 CB ILE A 53 6.073 9.251 -2.530 1.00 0.49 C ATOM 806 CG1 ILE A 53 5.982 9.092 -1.011 1.00 0.86 C ATOM 807 CG2 ILE A 53 5.518 8.062 -3.316 1.00 0.76 C ATOM 808 CD1 ILE A 53 4.539 9.027 -0.533 1.00 1.20 C ATOM 0 H ILE A 53 7.410 9.921 -4.962 1.00 0.68 H new ATOM 0 HA ILE A 53 7.962 10.094 -2.047 1.00 0.61 H new ATOM 0 HB ILE A 53 5.426 10.079 -2.820 1.00 0.49 H new ATOM 0 HG12 ILE A 53 6.506 8.185 -0.709 1.00 0.86 H new ATOM 0 HG13 ILE A 53 6.487 9.928 -0.527 1.00 0.86 H new ATOM 0 HG21 ILE A 53 4.488 7.874 -3.013 1.00 0.76 H new ATOM 0 HG22 ILE A 53 5.548 8.285 -4.383 1.00 0.76 H new ATOM 0 HG23 ILE A 53 6.122 7.178 -3.113 1.00 0.76 H new ATOM 0 HD11 ILE A 53 4.520 8.914 0.551 1.00 1.20 H new ATOM 0 HD12 ILE A 53 4.022 9.945 -0.811 1.00 1.20 H new ATOM 0 HD13 ILE A 53 4.041 8.175 -0.996 1.00 1.20 H new ATOM 820 N GLY A 54 8.996 7.764 -2.134 1.00 0.67 N ATOM 821 CA GLY A 54 9.720 6.509 -2.224 1.00 0.53 C ATOM 822 C GLY A 54 8.814 5.339 -1.825 1.00 0.48 C ATOM 823 O GLY A 54 7.793 5.525 -1.159 1.00 0.57 O ATOM 0 H GLY A 54 9.001 8.172 -1.199 1.00 0.67 H new ATOM 0 HA2 GLY A 54 10.085 6.364 -3.241 1.00 0.53 H new ATOM 0 HA3 GLY A 54 10.594 6.539 -1.573 1.00 0.53 H new ATOM 827 N PRO A 55 9.164 4.109 -2.229 1.00 0.50 N ATOM 828 CA PRO A 55 8.379 2.931 -1.907 1.00 0.61 C ATOM 829 C PRO A 55 8.488 2.606 -0.415 1.00 0.71 C ATOM 830 O PRO A 55 7.495 2.251 0.221 1.00 0.75 O ATOM 831 CB PRO A 55 8.937 1.814 -2.791 1.00 0.82 C ATOM 832 CG PRO A 55 10.382 2.239 -3.064 1.00 0.74 C ATOM 833 CD PRO A 55 10.331 3.768 -3.024 1.00 0.53 C ATOM 0 HA PRO A 55 7.315 3.074 -2.098 1.00 0.61 H new ATOM 0 HB2 PRO A 55 8.894 0.848 -2.287 1.00 0.82 H new ATOM 0 HB3 PRO A 55 8.369 1.717 -3.716 1.00 0.82 H new ATOM 0 HG2 PRO A 55 11.064 1.842 -2.312 1.00 0.74 H new ATOM 0 HG3 PRO A 55 10.729 1.876 -4.032 1.00 0.74 H new ATOM 0 HD2 PRO A 55 11.239 4.177 -2.580 1.00 0.53 H new ATOM 0 HD3 PRO A 55 10.253 4.182 -4.029 1.00 0.53 H new ATOM 841 N ARG A 56 9.694 2.722 0.152 1.00 0.83 N ATOM 842 CA ARG A 56 9.928 2.409 1.555 1.00 1.09 C ATOM 843 C ARG A 56 9.025 3.239 2.465 1.00 0.99 C ATOM 844 O ARG A 56 8.586 2.736 3.499 1.00 1.03 O ATOM 845 CB ARG A 56 11.417 2.551 1.908 1.00 1.47 C ATOM 846 CG ARG A 56 11.734 2.068 3.333 1.00 2.34 C ATOM 847 CD ARG A 56 11.600 0.547 3.505 1.00 4.04 C ATOM 848 NE ARG A 56 11.503 0.146 4.919 1.00 5.25 N ATOM 849 CZ ARG A 56 10.346 -0.035 5.582 1.00 6.60 C ATOM 850 NH1 ARG A 56 9.206 0.511 5.151 1.00 7.06 N ATOM 851 NH2 ARG A 56 10.305 -0.787 6.684 1.00 8.01 N ATOM 0 H ARG A 56 10.526 3.034 -0.349 1.00 0.83 H new ATOM 0 HA ARG A 56 9.662 1.366 1.724 1.00 1.09 H new ATOM 0 HB2 ARG A 56 12.012 1.981 1.194 1.00 1.47 H new ATOM 0 HB3 ARG A 56 11.713 3.595 1.808 1.00 1.47 H new ATOM 0 HG2 ARG A 56 12.749 2.368 3.593 1.00 2.34 H new ATOM 0 HG3 ARG A 56 11.065 2.566 4.035 1.00 2.34 H new ATOM 0 HD2 ARG A 56 10.715 0.201 2.971 1.00 4.04 H new ATOM 0 HD3 ARG A 56 12.460 0.056 3.049 1.00 4.04 H new ATOM 0 HE ARG A 56 12.372 -0.005 5.431 1.00 5.25 H new ATOM 0 HH11 ARG A 56 9.201 1.078 4.303 1.00 7.06 H new ATOM 0 HH12 ARG A 56 8.341 0.361 5.669 1.00 7.06 H new ATOM 0 HH21 ARG A 56 11.156 -1.231 7.031 1.00 8.01 H new ATOM 0 HH22 ARG A 56 9.423 -0.918 7.179 1.00 8.01 H new ATOM 865 N ASP A 57 8.767 4.485 2.068 1.00 0.95 N ATOM 866 CA ASP A 57 7.893 5.461 2.696 1.00 0.91 C ATOM 867 C ASP A 57 6.480 4.882 2.790 1.00 0.74 C ATOM 868 O ASP A 57 5.897 4.780 3.872 1.00 0.73 O ATOM 869 CB ASP A 57 7.854 6.788 1.893 1.00 0.98 C ATOM 870 CG ASP A 57 9.087 7.209 1.084 1.00 2.43 C ATOM 871 OD1 ASP A 57 10.036 6.403 0.950 1.00 3.87 O ATOM 872 OD2 ASP A 57 9.017 8.322 0.519 1.00 2.94 O ATOM 0 H ASP A 57 9.204 4.864 1.228 1.00 0.95 H new ATOM 0 HA ASP A 57 8.282 5.679 3.691 1.00 0.91 H new ATOM 0 HB2 ASP A 57 7.013 6.729 1.202 1.00 0.98 H new ATOM 0 HB3 ASP A 57 7.633 7.591 2.596 1.00 0.98 H new ATOM 877 N ILE A 58 5.924 4.485 1.641 1.00 0.61 N ATOM 878 CA ILE A 58 4.616 3.847 1.585 1.00 0.50 C ATOM 879 C ILE A 58 4.618 2.633 2.507 1.00 0.48 C ATOM 880 O ILE A 58 3.735 2.491 3.350 1.00 0.44 O ATOM 881 CB ILE A 58 4.257 3.479 0.134 1.00 0.49 C ATOM 882 CG1 ILE A 58 3.930 4.755 -0.656 1.00 0.61 C ATOM 883 CG2 ILE A 58 3.060 2.526 0.082 1.00 0.48 C ATOM 884 CD1 ILE A 58 4.456 4.664 -2.088 1.00 0.86 C ATOM 0 H ILE A 58 6.370 4.599 0.731 1.00 0.61 H new ATOM 0 HA ILE A 58 3.846 4.537 1.931 1.00 0.50 H new ATOM 0 HB ILE A 58 5.115 2.975 -0.310 1.00 0.49 H new ATOM 0 HG12 ILE A 58 2.851 4.911 -0.671 1.00 0.61 H new ATOM 0 HG13 ILE A 58 4.371 5.618 -0.157 1.00 0.61 H new ATOM 0 HG21 ILE A 58 2.831 2.285 -0.956 1.00 0.48 H new ATOM 0 HG22 ILE A 58 3.300 1.610 0.622 1.00 0.48 H new ATOM 0 HG23 ILE A 58 2.195 3.003 0.543 1.00 0.48 H new ATOM 0 HD11 ILE A 58 4.211 5.580 -2.625 1.00 0.86 H new ATOM 0 HD12 ILE A 58 5.538 4.532 -2.071 1.00 0.86 H new ATOM 0 HD13 ILE A 58 3.995 3.814 -2.592 1.00 0.86 H new ATOM 896 N ILE A 59 5.626 1.771 2.366 1.00 0.57 N ATOM 897 CA ILE A 59 5.720 0.559 3.171 1.00 0.67 C ATOM 898 C ILE A 59 5.722 0.905 4.668 1.00 0.69 C ATOM 899 O ILE A 59 4.945 0.314 5.412 1.00 0.68 O ATOM 900 CB ILE A 59 6.913 -0.305 2.722 1.00 0.92 C ATOM 901 CG1 ILE A 59 6.721 -0.749 1.260 1.00 0.99 C ATOM 902 CG2 ILE A 59 7.054 -1.563 3.593 1.00 1.25 C ATOM 903 CD1 ILE A 59 8.042 -1.150 0.608 1.00 1.37 C ATOM 0 H ILE A 59 6.389 1.893 1.700 1.00 0.57 H new ATOM 0 HA ILE A 59 4.835 -0.057 3.009 1.00 0.67 H new ATOM 0 HB ILE A 59 7.812 0.303 2.823 1.00 0.92 H new ATOM 0 HG12 ILE A 59 6.029 -1.590 1.224 1.00 0.99 H new ATOM 0 HG13 ILE A 59 6.267 0.062 0.691 1.00 0.99 H new ATOM 0 HG21 ILE A 59 7.905 -2.150 3.249 1.00 1.25 H new ATOM 0 HG22 ILE A 59 7.210 -1.271 4.631 1.00 1.25 H new ATOM 0 HG23 ILE A 59 6.146 -2.162 3.517 1.00 1.25 H new ATOM 0 HD11 ILE A 59 7.861 -1.456 -0.422 1.00 1.37 H new ATOM 0 HD12 ILE A 59 8.726 -0.301 0.619 1.00 1.37 H new ATOM 0 HD13 ILE A 59 8.484 -1.979 1.161 1.00 1.37 H new ATOM 915 N HIS A 60 6.533 1.886 5.098 1.00 0.74 N ATOM 916 CA HIS A 60 6.563 2.390 6.470 1.00 0.79 C ATOM 917 C HIS A 60 5.158 2.773 6.891 1.00 0.68 C ATOM 918 O HIS A 60 4.699 2.397 7.968 1.00 0.68 O ATOM 919 CB HIS A 60 7.484 3.613 6.623 1.00 0.90 C ATOM 920 CG HIS A 60 8.959 3.317 6.693 1.00 1.53 C ATOM 921 ND1 HIS A 60 9.945 4.020 6.041 1.00 2.49 N ATOM 922 CD2 HIS A 60 9.571 2.448 7.557 1.00 1.59 C ATOM 923 CE1 HIS A 60 11.128 3.561 6.486 1.00 3.08 C ATOM 924 NE2 HIS A 60 10.953 2.587 7.392 1.00 2.54 N ATOM 0 H HIS A 60 7.198 2.357 4.484 1.00 0.74 H new ATOM 0 HA HIS A 60 6.957 1.596 7.104 1.00 0.79 H new ATOM 0 HB2 HIS A 60 7.307 4.285 5.783 1.00 0.90 H new ATOM 0 HB3 HIS A 60 7.197 4.150 7.527 1.00 0.90 H new ATOM 0 HD2 HIS A 60 9.076 1.776 8.242 1.00 1.59 H new ATOM 0 HE1 HIS A 60 12.090 3.927 6.158 1.00 3.08 H new ATOM 0 HE2 HIS A 60 11.682 2.054 7.866 1.00 2.54 H new ATOM 932 N THR A 61 4.478 3.533 6.035 1.00 0.62 N ATOM 933 CA THR A 61 3.148 4.005 6.361 1.00 0.55 C ATOM 934 C THR A 61 2.225 2.797 6.585 1.00 0.43 C ATOM 935 O THR A 61 1.563 2.704 7.619 1.00 0.43 O ATOM 936 CB THR A 61 2.665 4.993 5.289 1.00 0.64 C ATOM 937 OG1 THR A 61 3.661 5.972 5.059 1.00 0.88 O ATOM 938 CG2 THR A 61 1.406 5.719 5.761 1.00 0.75 C ATOM 0 H THR A 61 4.827 3.828 5.123 1.00 0.62 H new ATOM 0 HA THR A 61 3.144 4.568 7.294 1.00 0.55 H new ATOM 0 HB THR A 61 2.456 4.429 4.380 1.00 0.64 H new ATOM 0 HG1 THR A 61 4.389 5.581 4.532 1.00 0.88 H new ATOM 0 HG21 THR A 61 1.077 6.415 4.990 1.00 0.75 H new ATOM 0 HG22 THR A 61 0.617 4.992 5.954 1.00 0.75 H new ATOM 0 HG23 THR A 61 1.625 6.268 6.677 1.00 0.75 H new ATOM 946 N ILE A 62 2.222 1.842 5.649 1.00 0.41 N ATOM 947 CA ILE A 62 1.430 0.622 5.746 1.00 0.43 C ATOM 948 C ILE A 62 1.728 -0.117 7.046 1.00 0.46 C ATOM 949 O ILE A 62 0.821 -0.302 7.858 1.00 0.44 O ATOM 950 CB ILE A 62 1.643 -0.268 4.508 1.00 0.47 C ATOM 951 CG1 ILE A 62 1.057 0.461 3.292 1.00 0.48 C ATOM 952 CG2 ILE A 62 0.961 -1.637 4.672 1.00 0.55 C ATOM 953 CD1 ILE A 62 1.439 -0.206 1.974 1.00 0.81 C ATOM 0 H ILE A 62 2.777 1.900 4.795 1.00 0.41 H new ATOM 0 HA ILE A 62 0.375 0.894 5.768 1.00 0.43 H new ATOM 0 HB ILE A 62 2.710 -0.449 4.377 1.00 0.47 H new ATOM 0 HG12 ILE A 62 -0.029 0.492 3.379 1.00 0.48 H new ATOM 0 HG13 ILE A 62 1.406 1.494 3.288 1.00 0.48 H new ATOM 0 HG21 ILE A 62 1.132 -2.238 3.779 1.00 0.55 H new ATOM 0 HG22 ILE A 62 1.377 -2.149 5.540 1.00 0.55 H new ATOM 0 HG23 ILE A 62 -0.110 -1.495 4.814 1.00 0.55 H new ATOM 0 HD11 ILE A 62 0.999 0.348 1.145 1.00 0.81 H new ATOM 0 HD12 ILE A 62 2.524 -0.213 1.871 1.00 0.81 H new ATOM 0 HD13 ILE A 62 1.067 -1.230 1.963 1.00 0.81 H new ATOM 965 N GLU A 63 2.972 -0.566 7.241 1.00 0.64 N ATOM 966 CA GLU A 63 3.301 -1.372 8.407 1.00 0.86 C ATOM 967 C GLU A 63 2.890 -0.618 9.677 1.00 0.81 C ATOM 968 O GLU A 63 2.137 -1.138 10.501 1.00 0.86 O ATOM 969 CB GLU A 63 4.763 -1.863 8.370 1.00 1.16 C ATOM 970 CG GLU A 63 5.810 -0.744 8.424 1.00 1.31 C ATOM 971 CD GLU A 63 7.196 -1.192 7.974 1.00 1.88 C ATOM 972 OE1 GLU A 63 7.769 -2.092 8.614 1.00 2.69 O ATOM 973 OE2 GLU A 63 7.718 -0.604 6.998 1.00 2.89 O ATOM 0 H GLU A 63 3.754 -0.385 6.612 1.00 0.64 H new ATOM 0 HA GLU A 63 2.724 -2.297 8.403 1.00 0.86 H new ATOM 0 HB2 GLU A 63 4.928 -2.538 9.209 1.00 1.16 H new ATOM 0 HB3 GLU A 63 4.916 -2.443 7.460 1.00 1.16 H new ATOM 0 HG2 GLU A 63 5.481 0.083 7.794 1.00 1.31 H new ATOM 0 HG3 GLU A 63 5.872 -0.363 9.443 1.00 1.31 H new ATOM 980 N SER A 64 3.293 0.656 9.762 1.00 0.77 N ATOM 981 CA SER A 64 2.943 1.549 10.854 1.00 0.79 C ATOM 982 C SER A 64 1.433 1.580 11.128 1.00 0.75 C ATOM 983 O SER A 64 1.039 1.573 12.292 1.00 0.99 O ATOM 984 CB SER A 64 3.515 2.948 10.580 1.00 0.80 C ATOM 985 OG SER A 64 3.295 3.826 11.670 1.00 0.89 O ATOM 0 H SER A 64 3.883 1.096 9.055 1.00 0.77 H new ATOM 0 HA SER A 64 3.394 1.164 11.768 1.00 0.79 H new ATOM 0 HB2 SER A 64 4.585 2.872 10.384 1.00 0.80 H new ATOM 0 HB3 SER A 64 3.055 3.360 9.682 1.00 0.80 H new ATOM 0 HG SER A 64 3.673 4.706 11.462 1.00 0.89 H new ATOM 991 N LEU A 65 0.570 1.667 10.106 1.00 0.54 N ATOM 992 CA LEU A 65 -0.861 1.772 10.359 1.00 0.51 C ATOM 993 C LEU A 65 -1.431 0.572 11.114 1.00 0.67 C ATOM 994 O LEU A 65 -2.213 0.771 12.048 1.00 1.15 O ATOM 995 CB LEU A 65 -1.619 1.972 9.048 1.00 0.66 C ATOM 996 CG LEU A 65 -1.394 3.386 8.500 1.00 0.90 C ATOM 997 CD1 LEU A 65 -1.548 3.313 6.985 1.00 1.85 C ATOM 998 CD2 LEU A 65 -2.373 4.392 9.113 1.00 1.31 C ATOM 0 H LEU A 65 0.836 1.666 9.121 1.00 0.54 H new ATOM 0 HA LEU A 65 -0.996 2.641 11.003 1.00 0.51 H new ATOM 0 HB2 LEU A 65 -1.288 1.236 8.315 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -2.684 1.805 9.209 1.00 0.66 H new ATOM 0 HG LEU A 65 -0.397 3.738 8.765 1.00 0.90 H new ATOM 0 HD11 LEU A 65 -1.395 4.303 6.556 1.00 1.85 H new ATOM 0 HD12 LEU A 65 -0.810 2.622 6.577 1.00 1.85 H new ATOM 0 HD13 LEU A 65 -2.550 2.961 6.738 1.00 1.85 H new ATOM 0 HD21 LEU A 65 -2.183 5.383 8.700 1.00 1.31 H new ATOM 0 HD22 LEU A 65 -3.395 4.093 8.881 1.00 1.31 H new ATOM 0 HD23 LEU A 65 -2.239 4.418 10.194 1.00 1.31 H new ATOM 1010 N GLY A 66 -1.198 -0.656 10.646 1.00 0.65 N ATOM 1011 CA GLY A 66 -1.689 -1.823 11.375 1.00 0.93 C ATOM 1012 C GLY A 66 -1.028 -3.157 11.030 1.00 0.94 C ATOM 1013 O GLY A 66 -1.589 -4.193 11.381 1.00 1.46 O ATOM 0 H GLY A 66 -0.686 -0.864 9.789 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -1.559 -1.641 12.442 1.00 0.93 H new ATOM 0 HA3 GLY A 66 -2.760 -1.914 11.196 1.00 0.93 H new ATOM 1017 N PHE A 67 0.072 -3.166 10.271 1.00 0.65 N ATOM 1018 CA PHE A 67 0.353 -4.289 9.376 1.00 0.53 C ATOM 1019 C PHE A 67 1.826 -4.692 9.373 1.00 0.82 C ATOM 1020 O PHE A 67 2.666 -4.040 9.987 1.00 1.60 O ATOM 1021 CB PHE A 67 -0.126 -3.911 7.961 1.00 0.46 C ATOM 1022 CG PHE A 67 -1.571 -3.445 7.913 1.00 0.40 C ATOM 1023 CD1 PHE A 67 -2.579 -4.306 8.379 1.00 1.74 C ATOM 1024 CD2 PHE A 67 -1.875 -2.092 7.679 1.00 1.84 C ATOM 1025 CE1 PHE A 67 -3.838 -3.798 8.733 1.00 1.79 C ATOM 1026 CE2 PHE A 67 -3.132 -1.577 8.036 1.00 1.79 C ATOM 1027 CZ PHE A 67 -4.112 -2.430 8.565 1.00 0.39 C ATOM 0 H PHE A 67 0.770 -2.422 10.258 1.00 0.65 H new ATOM 0 HA PHE A 67 -0.187 -5.165 9.737 1.00 0.53 H new ATOM 0 HB2 PHE A 67 0.515 -3.122 7.568 1.00 0.46 H new ATOM 0 HB3 PHE A 67 -0.009 -4.773 7.304 1.00 0.46 H new ATOM 0 HD1 PHE A 67 -2.384 -5.365 8.465 1.00 1.74 H new ATOM 0 HD2 PHE A 67 -1.139 -1.446 7.223 1.00 1.84 H new ATOM 0 HE1 PHE A 67 -4.595 -4.457 9.134 1.00 1.79 H new ATOM 0 HE2 PHE A 67 -3.344 -0.526 7.903 1.00 1.79 H new ATOM 0 HZ PHE A 67 -5.078 -2.035 8.843 1.00 0.39 H new ATOM 1037 N GLU A 68 2.132 -5.761 8.638 1.00 0.50 N ATOM 1038 CA GLU A 68 3.454 -5.999 8.074 1.00 0.52 C ATOM 1039 C GLU A 68 3.251 -6.044 6.560 1.00 0.58 C ATOM 1040 O GLU A 68 2.149 -6.376 6.111 1.00 1.10 O ATOM 1041 CB GLU A 68 4.030 -7.305 8.638 1.00 0.65 C ATOM 1042 CG GLU A 68 5.411 -7.656 8.067 1.00 1.80 C ATOM 1043 CD GLU A 68 5.893 -8.989 8.603 1.00 2.25 C ATOM 1044 OE1 GLU A 68 6.093 -9.095 9.831 1.00 2.83 O ATOM 1045 OE2 GLU A 68 5.871 -9.961 7.820 1.00 3.18 O ATOM 0 H GLU A 68 1.458 -6.494 8.417 1.00 0.50 H new ATOM 0 HA GLU A 68 4.174 -5.222 8.330 1.00 0.52 H new ATOM 0 HB2 GLU A 68 4.103 -7.223 9.722 1.00 0.65 H new ATOM 0 HB3 GLU A 68 3.339 -8.121 8.426 1.00 0.65 H new ATOM 0 HG2 GLU A 68 5.361 -7.693 6.979 1.00 1.80 H new ATOM 0 HG3 GLU A 68 6.126 -6.875 8.326 1.00 1.80 H new ATOM 1052 N ALA A 69 4.272 -5.682 5.777 1.00 0.54 N ATOM 1053 CA ALA A 69 4.186 -5.657 4.326 1.00 0.62 C ATOM 1054 C ALA A 69 5.525 -6.002 3.679 1.00 0.64 C ATOM 1055 O ALA A 69 6.572 -5.862 4.308 1.00 0.97 O ATOM 1056 CB ALA A 69 3.687 -4.282 3.874 1.00 0.85 C ATOM 0 H ALA A 69 5.182 -5.398 6.140 1.00 0.54 H new ATOM 0 HA ALA A 69 3.477 -6.418 4.002 1.00 0.62 H new ATOM 0 HB1 ALA A 69 3.621 -4.258 2.786 1.00 0.85 H new ATOM 0 HB2 ALA A 69 2.702 -4.094 4.302 1.00 0.85 H new ATOM 0 HB3 ALA A 69 4.382 -3.513 4.212 1.00 0.85 H new ATOM 1062 N SER A 70 5.477 -6.470 2.427 1.00 0.53 N ATOM 1063 CA SER A 70 6.614 -6.953 1.660 1.00 0.61 C ATOM 1064 C SER A 70 6.380 -6.633 0.182 1.00 0.57 C ATOM 1065 O SER A 70 5.424 -7.134 -0.410 1.00 0.54 O ATOM 1066 CB SER A 70 6.746 -8.467 1.869 1.00 0.73 C ATOM 1067 OG SER A 70 8.018 -8.899 1.432 1.00 2.01 O ATOM 0 H SER A 70 4.603 -6.522 1.904 1.00 0.53 H new ATOM 0 HA SER A 70 7.534 -6.470 1.988 1.00 0.61 H new ATOM 0 HB2 SER A 70 6.610 -8.712 2.923 1.00 0.73 H new ATOM 0 HB3 SER A 70 5.964 -8.989 1.317 1.00 0.73 H new ATOM 0 HG SER A 70 8.100 -9.866 1.568 1.00 2.01 H new ATOM 1073 N LEU A 71 7.216 -5.777 -0.412 1.00 0.69 N ATOM 1074 CA LEU A 71 7.104 -5.418 -1.821 1.00 0.75 C ATOM 1075 C LEU A 71 7.442 -6.592 -2.733 1.00 0.84 C ATOM 1076 O LEU A 71 8.432 -7.284 -2.508 1.00 1.19 O ATOM 1077 CB LEU A 71 7.898 -4.146 -2.151 1.00 1.12 C ATOM 1078 CG LEU A 71 9.431 -4.265 -2.233 1.00 1.23 C ATOM 1079 CD1 LEU A 71 10.000 -2.899 -2.638 1.00 1.76 C ATOM 1080 CD2 LEU A 71 10.082 -4.700 -0.915 1.00 2.65 C ATOM 0 H LEU A 71 7.986 -5.316 0.072 1.00 0.69 H new ATOM 0 HA LEU A 71 6.059 -5.177 -2.017 1.00 0.75 H new ATOM 0 HB2 LEU A 71 7.539 -3.764 -3.107 1.00 1.12 H new ATOM 0 HB3 LEU A 71 7.659 -3.395 -1.398 1.00 1.12 H new ATOM 0 HG LEU A 71 9.657 -5.038 -2.967 1.00 1.23 H new ATOM 0 HD11 LEU A 71 11.086 -2.962 -2.702 1.00 1.76 H new ATOM 0 HD12 LEU A 71 9.596 -2.610 -3.608 1.00 1.76 H new ATOM 0 HD13 LEU A 71 9.723 -2.154 -1.892 1.00 1.76 H new ATOM 0 HD21 LEU A 71 11.162 -4.763 -1.046 1.00 2.65 H new ATOM 0 HD22 LEU A 71 9.853 -3.971 -0.138 1.00 2.65 H new ATOM 0 HD23 LEU A 71 9.695 -5.676 -0.622 1.00 2.65 H new ATOM 1092 N VAL A 72 6.607 -6.807 -3.755 1.00 1.08 N ATOM 1093 CA VAL A 72 6.762 -7.890 -4.714 1.00 1.28 C ATOM 1094 C VAL A 72 6.900 -7.322 -6.132 1.00 1.52 C ATOM 1095 O VAL A 72 7.775 -7.744 -6.887 1.00 2.33 O ATOM 1096 CB VAL A 72 5.637 -8.930 -4.533 1.00 1.27 C ATOM 1097 CG1 VAL A 72 5.655 -9.484 -3.104 1.00 1.34 C ATOM 1098 CG2 VAL A 72 4.227 -8.436 -4.872 1.00 1.26 C ATOM 0 H VAL A 72 5.793 -6.220 -3.936 1.00 1.08 H new ATOM 0 HA VAL A 72 7.687 -8.437 -4.530 1.00 1.28 H new ATOM 0 HB VAL A 72 5.857 -9.710 -5.262 1.00 1.27 H new ATOM 0 HG11 VAL A 72 4.857 -10.217 -2.988 1.00 1.34 H new ATOM 0 HG12 VAL A 72 6.616 -9.960 -2.911 1.00 1.34 H new ATOM 0 HG13 VAL A 72 5.505 -8.669 -2.396 1.00 1.34 H new ATOM 0 HG21 VAL A 72 3.511 -9.242 -4.712 1.00 1.26 H new ATOM 0 HG22 VAL A 72 3.973 -7.592 -4.231 1.00 1.26 H new ATOM 0 HG23 VAL A 72 4.192 -8.122 -5.915 1.00 1.26 H new