USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 517 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 72 MET CE :methyl 142:sc= -0.0987 (180deg=-0.373) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.55 K(o=-1.7,f=-0.19) USER MOD Single : A 11 THR OG1 : rot -110:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -112:sc= 0.256 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.84 K(o=-3.8,f=-2.6) USER MOD Single : A 31 ASN : amide:sc= 0.751 K(o=0.75,f=-0.69) USER MOD Single : A 33 SER OG : rot 120:sc= 0.902 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.023 (180deg=-0.192) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 161:sc= -1.82 (180deg=-2.57!) USER MOD Single : A 48 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.046) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.54! K(o=-3.5!,f=-0.63) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 164:sc= 1.35 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -11.897 6.121 -4.100 1.00 1.46 N ATOM 2 CA GLY A 10 -10.861 5.379 -3.341 1.00 1.08 C ATOM 3 C GLY A 10 -11.458 4.253 -2.523 1.00 0.90 C ATOM 4 O GLY A 10 -12.674 4.060 -2.523 1.00 1.21 O ATOM 0 HA2 GLY A 10 -10.124 4.973 -4.034 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -10.332 6.067 -2.681 1.00 1.08 H new ATOM 8 N THR A 11 -10.612 3.508 -1.822 1.00 0.72 N ATOM 9 CA THR A 11 -11.064 2.400 -1.021 1.00 0.56 C ATOM 10 C THR A 11 -11.034 2.760 0.459 1.00 0.60 C ATOM 11 O THR A 11 -11.162 3.923 0.834 1.00 1.21 O ATOM 12 CB THR A 11 -10.185 1.164 -1.247 1.00 0.62 C ATOM 13 OG1 THR A 11 -9.423 1.309 -2.453 1.00 0.87 O ATOM 14 CG2 THR A 11 -11.041 -0.083 -1.325 1.00 0.53 C ATOM 0 H THR A 11 -9.604 3.661 -1.799 1.00 0.72 H new ATOM 0 HA THR A 11 -12.087 2.175 -1.323 1.00 0.56 H new ATOM 0 HB THR A 11 -9.499 1.069 -0.405 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.758 0.684 -3.129 1.00 0.87 H new ATOM 0 HG21 THR A 11 -10.404 -0.952 -1.486 1.00 0.53 H new ATOM 0 HG22 THR A 11 -11.592 -0.205 -0.393 1.00 0.53 H new ATOM 0 HG23 THR A 11 -11.744 0.009 -2.153 1.00 0.53 H new ATOM 22 N TYR A 12 -10.826 1.751 1.284 1.00 0.44 N ATOM 23 CA TYR A 12 -10.940 1.882 2.730 1.00 0.37 C ATOM 24 C TYR A 12 -9.810 1.134 3.415 1.00 0.37 C ATOM 25 O TYR A 12 -8.761 0.886 2.818 1.00 0.41 O ATOM 26 CB TYR A 12 -12.247 1.266 3.210 1.00 0.41 C ATOM 27 CG TYR A 12 -13.351 1.278 2.191 1.00 0.47 C ATOM 28 CD1 TYR A 12 -14.010 2.448 1.854 1.00 0.56 C ATOM 29 CD2 TYR A 12 -13.710 0.110 1.546 1.00 0.57 C ATOM 30 CE1 TYR A 12 -15.005 2.447 0.903 1.00 0.64 C ATOM 31 CE2 TYR A 12 -14.695 0.099 0.596 1.00 0.67 C ATOM 32 CZ TYR A 12 -15.346 1.270 0.273 1.00 0.66 C ATOM 33 OH TYR A 12 -16.334 1.266 -0.684 1.00 0.79 O ATOM 0 H TYR A 12 -10.572 0.814 0.972 1.00 0.44 H new ATOM 0 HA TYR A 12 -10.901 2.944 2.974 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.059 0.236 3.512 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -12.583 1.802 4.098 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -13.740 3.372 2.343 1.00 0.56 H new ATOM 0 HD2 TYR A 12 -13.204 -0.811 1.796 1.00 0.57 H new ATOM 0 HE1 TYR A 12 -15.516 3.365 0.652 1.00 0.64 H new ATOM 0 HE2 TYR A 12 -14.961 -0.824 0.101 1.00 0.67 H new ATOM 0 HH TYR A 12 -16.450 0.357 -1.030 1.00 0.79 H new ATOM 43 N ARG A 13 -10.062 0.755 4.659 1.00 0.38 N ATOM 44 CA ARG A 13 -9.170 -0.097 5.421 1.00 0.40 C ATOM 45 C ARG A 13 -9.889 -0.517 6.687 1.00 0.54 C ATOM 46 O ARG A 13 -10.583 0.293 7.295 1.00 0.76 O ATOM 47 CB ARG A 13 -7.885 0.648 5.765 1.00 0.49 C ATOM 48 CG ARG A 13 -6.756 -0.232 6.276 1.00 0.61 C ATOM 49 CD ARG A 13 -6.867 -0.539 7.763 1.00 0.36 C ATOM 50 NE ARG A 13 -7.005 0.662 8.584 1.00 0.97 N ATOM 51 CZ ARG A 13 -7.009 0.654 9.920 1.00 0.99 C ATOM 52 NH1 ARG A 13 -6.852 -0.486 10.584 1.00 1.29 N ATOM 53 NH2 ARG A 13 -7.159 1.790 10.588 1.00 1.67 N ATOM 0 H ARG A 13 -10.900 1.034 5.170 1.00 0.38 H new ATOM 0 HA ARG A 13 -8.899 -0.974 4.833 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -7.540 1.178 4.877 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -8.109 1.402 6.520 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -6.751 -1.168 5.717 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -5.803 0.260 6.082 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -7.726 -1.188 7.931 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -5.983 -1.091 8.082 1.00 0.36 H new ATOM 0 HE ARG A 13 -7.104 1.559 8.109 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -6.728 -1.360 10.074 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -6.856 -0.487 11.604 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -7.271 2.668 10.082 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -7.162 1.785 11.608 1.00 1.67 H new ATOM 67 N GLY A 14 -9.749 -1.771 7.076 1.00 0.54 N ATOM 68 CA GLY A 14 -10.391 -2.214 8.297 1.00 0.68 C ATOM 69 C GLY A 14 -11.787 -2.741 8.071 1.00 0.77 C ATOM 70 O GLY A 14 -12.734 -2.282 8.710 1.00 1.39 O ATOM 0 H GLY A 14 -9.212 -2.482 6.580 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -9.784 -2.994 8.758 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -10.432 -1.383 9.002 1.00 0.68 H new ATOM 74 N ARG A 15 -11.916 -3.709 7.176 1.00 0.70 N ATOM 75 CA ARG A 15 -13.223 -4.220 6.787 1.00 0.80 C ATOM 76 C ARG A 15 -13.096 -5.344 5.776 1.00 0.91 C ATOM 77 O ARG A 15 -14.019 -5.602 5.004 1.00 1.43 O ATOM 78 CB ARG A 15 -14.064 -3.083 6.201 1.00 0.84 C ATOM 79 CG ARG A 15 -13.357 -2.334 5.089 1.00 0.83 C ATOM 80 CD ARG A 15 -13.971 -0.971 4.856 1.00 0.65 C ATOM 81 NE ARG A 15 -15.426 -1.021 4.726 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.223 0.038 4.864 1.00 1.18 C ATOM 83 NH1 ARG A 15 -15.720 1.210 5.223 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.527 -0.083 4.664 1.00 1.29 N ATOM 0 H ARG A 15 -11.131 -4.157 6.704 1.00 0.70 H new ATOM 0 HA ARG A 15 -13.713 -4.620 7.675 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -15.000 -3.491 5.819 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -14.322 -2.383 6.996 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -12.302 -2.220 5.340 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -13.405 -2.917 4.169 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -13.707 -0.312 5.683 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -13.545 -0.535 3.953 1.00 0.65 H new ATOM 0 HE ARG A 15 -15.858 -1.921 4.517 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -14.719 1.304 5.395 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -16.334 2.018 5.327 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -17.921 -0.987 4.404 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -18.137 0.728 4.770 1.00 1.29 H new ATOM 98 N GLY A 16 -11.956 -6.018 5.786 1.00 0.78 N ATOM 99 CA GLY A 16 -11.696 -7.017 4.772 1.00 0.88 C ATOM 100 C GLY A 16 -11.551 -6.369 3.416 1.00 0.76 C ATOM 101 O GLY A 16 -11.877 -6.966 2.391 1.00 1.05 O ATOM 0 H GLY A 16 -11.212 -5.893 6.472 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -10.787 -7.566 5.018 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -12.510 -7.742 4.750 1.00 0.88 H new ATOM 105 N VAL A 17 -11.092 -5.118 3.446 1.00 0.43 N ATOM 106 CA VAL A 17 -10.887 -4.302 2.243 1.00 0.29 C ATOM 107 C VAL A 17 -10.345 -5.077 1.063 1.00 0.25 C ATOM 108 O VAL A 17 -9.457 -5.924 1.193 1.00 0.33 O ATOM 109 CB VAL A 17 -9.939 -3.119 2.497 1.00 0.23 C ATOM 110 CG1 VAL A 17 -10.735 -1.893 2.860 1.00 0.27 C ATOM 111 CG2 VAL A 17 -8.932 -3.468 3.579 1.00 0.26 C ATOM 0 H VAL A 17 -10.849 -4.636 4.311 1.00 0.43 H new ATOM 0 HA VAL A 17 -11.887 -3.944 1.998 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.381 -2.905 1.585 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.057 -1.059 3.039 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.411 -1.643 2.042 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.314 -2.089 3.762 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.269 -2.619 3.746 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -9.459 -3.705 4.504 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -8.345 -4.331 3.265 1.00 0.26 H new ATOM 121 N ALA A 18 -10.888 -4.751 -0.089 1.00 0.25 N ATOM 122 CA ALA A 18 -10.471 -5.356 -1.333 1.00 0.27 C ATOM 123 C ALA A 18 -9.534 -4.425 -2.080 1.00 0.23 C ATOM 124 O ALA A 18 -8.884 -4.837 -3.043 1.00 0.25 O ATOM 125 CB ALA A 18 -11.677 -5.704 -2.189 1.00 0.35 C ATOM 0 H ALA A 18 -11.631 -4.059 -0.189 1.00 0.25 H new ATOM 0 HA ALA A 18 -9.937 -6.279 -1.109 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -11.342 -6.158 -3.121 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -12.314 -6.406 -1.651 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -12.241 -4.797 -2.409 1.00 0.35 H new ATOM 131 N LEU A 19 -9.485 -3.157 -1.627 1.00 0.21 N ATOM 132 CA LEU A 19 -8.577 -2.163 -2.194 1.00 0.20 C ATOM 133 C LEU A 19 -8.927 -1.953 -3.684 1.00 0.25 C ATOM 134 O LEU A 19 -9.845 -2.592 -4.198 1.00 0.49 O ATOM 135 CB LEU A 19 -7.154 -2.680 -1.928 1.00 0.20 C ATOM 136 CG LEU A 19 -5.947 -1.815 -2.273 1.00 0.28 C ATOM 137 CD1 LEU A 19 -5.639 -1.859 -3.739 1.00 0.99 C ATOM 138 CD2 LEU A 19 -6.110 -0.388 -1.784 1.00 1.14 C ATOM 0 H LEU A 19 -10.068 -2.805 -0.868 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.664 -1.175 -1.742 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.089 -2.916 -0.866 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -7.045 -3.619 -2.471 1.00 0.20 H new ATOM 0 HG LEU A 19 -5.093 -2.238 -1.744 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -4.773 -1.231 -3.948 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -5.423 -2.886 -4.035 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -6.497 -1.493 -4.302 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -5.227 0.192 -2.052 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -6.990 0.057 -2.248 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -6.230 -0.386 -0.701 1.00 1.14 H new ATOM 150 N THR A 20 -8.283 -1.018 -4.360 1.00 0.37 N ATOM 151 CA THR A 20 -8.388 -0.945 -5.806 1.00 0.37 C ATOM 152 C THR A 20 -7.737 -2.201 -6.435 1.00 0.35 C ATOM 153 O THR A 20 -7.425 -3.166 -5.729 1.00 0.44 O ATOM 154 CB THR A 20 -7.773 0.367 -6.370 1.00 0.48 C ATOM 155 OG1 THR A 20 -7.890 0.426 -7.800 1.00 0.88 O ATOM 156 CG2 THR A 20 -6.314 0.507 -5.980 1.00 0.45 C ATOM 0 H THR A 20 -7.688 -0.306 -3.936 1.00 0.37 H new ATOM 0 HA THR A 20 -9.444 -0.924 -6.076 1.00 0.37 H new ATOM 0 HB THR A 20 -8.336 1.192 -5.933 1.00 0.48 H new ATOM 0 HG1 THR A 20 -7.000 0.360 -8.204 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.915 1.435 -6.390 1.00 0.45 H new ATOM 0 HG22 THR A 20 -6.228 0.524 -4.894 1.00 0.45 H new ATOM 0 HG23 THR A 20 -5.749 -0.337 -6.375 1.00 0.45 H new ATOM 164 N ASP A 21 -7.551 -2.223 -7.741 1.00 0.35 N ATOM 165 CA ASP A 21 -7.094 -3.439 -8.408 1.00 0.37 C ATOM 166 C ASP A 21 -5.614 -3.734 -8.160 1.00 0.32 C ATOM 167 O ASP A 21 -5.274 -4.801 -7.649 1.00 0.37 O ATOM 168 CB ASP A 21 -7.360 -3.363 -9.910 1.00 0.44 C ATOM 169 CG ASP A 21 -7.081 -4.680 -10.610 1.00 1.28 C ATOM 170 OD1 ASP A 21 -7.969 -5.558 -10.606 1.00 1.65 O ATOM 171 OD2 ASP A 21 -5.976 -4.849 -11.162 1.00 2.15 O ATOM 0 H ASP A 21 -7.705 -1.427 -8.359 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.666 -4.259 -7.974 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -8.398 -3.077 -10.079 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -6.738 -2.582 -10.348 1.00 0.44 H new ATOM 176 N ASP A 22 -4.739 -2.795 -8.506 1.00 0.29 N ATOM 177 CA ASP A 22 -3.298 -3.062 -8.501 1.00 0.28 C ATOM 178 C ASP A 22 -2.741 -3.297 -7.101 1.00 0.22 C ATOM 179 O ASP A 22 -2.280 -4.394 -6.800 1.00 0.22 O ATOM 180 CB ASP A 22 -2.535 -1.912 -9.162 1.00 0.38 C ATOM 181 CG ASP A 22 -2.519 -2.011 -10.673 1.00 1.06 C ATOM 182 OD1 ASP A 22 -3.553 -1.697 -11.302 1.00 2.05 O ATOM 183 OD2 ASP A 22 -1.478 -2.398 -11.247 1.00 1.01 O ATOM 0 H ASP A 22 -4.995 -1.850 -8.791 1.00 0.29 H new ATOM 0 HA ASP A 22 -3.157 -3.981 -9.070 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -2.989 -0.965 -8.869 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -1.510 -1.902 -8.792 1.00 0.38 H new ATOM 188 N GLU A 23 -2.793 -2.268 -6.261 1.00 0.23 N ATOM 189 CA GLU A 23 -2.184 -2.313 -4.921 1.00 0.24 C ATOM 190 C GLU A 23 -2.484 -3.584 -4.134 1.00 0.17 C ATOM 191 O GLU A 23 -1.666 -4.002 -3.328 1.00 0.17 O ATOM 192 CB GLU A 23 -2.597 -1.125 -4.064 1.00 0.34 C ATOM 193 CG GLU A 23 -1.915 0.182 -4.434 1.00 0.60 C ATOM 194 CD GLU A 23 -2.229 0.641 -5.834 1.00 1.17 C ATOM 195 OE1 GLU A 23 -3.292 1.250 -6.032 1.00 2.01 O ATOM 196 OE2 GLU A 23 -1.411 0.397 -6.735 1.00 1.66 O ATOM 0 H GLU A 23 -3.252 -1.384 -6.480 1.00 0.23 H new ATOM 0 HA GLU A 23 -1.114 -2.286 -5.126 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -3.676 -0.993 -4.143 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -2.379 -1.352 -3.020 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -2.219 0.955 -3.729 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -0.836 0.063 -4.331 1.00 0.60 H new ATOM 203 N TYR A 24 -3.646 -4.184 -4.327 1.00 0.13 N ATOM 204 CA TYR A 24 -3.997 -5.375 -3.570 1.00 0.12 C ATOM 205 C TYR A 24 -3.110 -6.544 -4.013 1.00 0.12 C ATOM 206 O TYR A 24 -2.463 -7.201 -3.194 1.00 0.14 O ATOM 207 CB TYR A 24 -5.485 -5.679 -3.757 1.00 0.12 C ATOM 208 CG TYR A 24 -6.030 -6.727 -2.800 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.866 -8.081 -3.073 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.715 -6.373 -1.632 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.357 -9.049 -2.220 1.00 0.17 C ATOM 212 CE2 TYR A 24 -7.211 -7.341 -0.779 1.00 0.14 C ATOM 213 CZ TYR A 24 -7.030 -8.675 -1.076 1.00 0.15 C ATOM 214 OH TYR A 24 -7.522 -9.637 -0.224 1.00 0.22 O ATOM 0 H TYR A 24 -4.354 -3.872 -4.992 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.823 -5.213 -2.506 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -6.052 -4.757 -3.630 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.650 -6.016 -4.780 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.344 -8.381 -3.970 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.858 -5.329 -1.394 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -6.215 -10.095 -2.448 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.739 -7.053 0.118 1.00 0.14 H new ATOM 0 HH TYR A 24 -7.968 -9.205 0.534 1.00 0.22 H new ATOM 224 N ASP A 25 -3.077 -6.777 -5.316 1.00 0.14 N ATOM 225 CA ASP A 25 -2.139 -7.731 -5.905 1.00 0.18 C ATOM 226 C ASP A 25 -0.702 -7.354 -5.546 1.00 0.16 C ATOM 227 O ASP A 25 0.100 -8.193 -5.124 1.00 0.17 O ATOM 228 CB ASP A 25 -2.285 -7.766 -7.431 1.00 0.25 C ATOM 229 CG ASP A 25 -3.565 -8.432 -7.903 1.00 1.04 C ATOM 230 OD1 ASP A 25 -4.639 -7.799 -7.800 1.00 1.80 O ATOM 231 OD2 ASP A 25 -3.508 -9.596 -8.354 1.00 1.58 O ATOM 0 H ASP A 25 -3.689 -6.319 -5.991 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.368 -8.718 -5.503 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -2.253 -6.746 -7.814 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -1.432 -8.294 -7.857 1.00 0.25 H new ATOM 236 N GLU A 26 -0.396 -6.077 -5.690 1.00 0.15 N ATOM 237 CA GLU A 26 0.948 -5.572 -5.457 1.00 0.15 C ATOM 238 C GLU A 26 1.338 -5.666 -3.980 1.00 0.12 C ATOM 239 O GLU A 26 2.520 -5.717 -3.647 1.00 0.12 O ATOM 240 CB GLU A 26 1.048 -4.130 -5.944 1.00 0.22 C ATOM 241 CG GLU A 26 0.680 -3.949 -7.411 1.00 0.50 C ATOM 242 CD GLU A 26 1.495 -4.821 -8.342 1.00 0.65 C ATOM 243 OE1 GLU A 26 1.159 -6.010 -8.505 1.00 1.27 O ATOM 244 OE2 GLU A 26 2.473 -4.317 -8.934 1.00 0.59 O ATOM 0 H GLU A 26 -1.068 -5.362 -5.970 1.00 0.15 H new ATOM 0 HA GLU A 26 1.646 -6.193 -6.019 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.395 -3.505 -5.335 1.00 0.22 H new ATOM 0 HB3 GLU A 26 2.066 -3.774 -5.788 1.00 0.22 H new ATOM 0 HG2 GLU A 26 -0.378 -4.176 -7.544 1.00 0.50 H new ATOM 0 HG3 GLU A 26 0.819 -2.904 -7.688 1.00 0.50 H new ATOM 251 N TRP A 27 0.344 -5.686 -3.101 1.00 0.11 N ATOM 252 CA TRP A 27 0.572 -5.889 -1.673 1.00 0.10 C ATOM 253 C TRP A 27 1.155 -7.264 -1.426 1.00 0.10 C ATOM 254 O TRP A 27 2.014 -7.442 -0.562 1.00 0.11 O ATOM 255 CB TRP A 27 -0.737 -5.716 -0.895 1.00 0.10 C ATOM 256 CG TRP A 27 -0.850 -6.551 0.351 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.258 -6.337 1.571 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.634 -7.739 0.494 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.638 -7.317 2.450 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.484 -8.182 1.815 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.455 -8.467 -0.371 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.125 -9.312 2.294 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.090 -9.596 0.106 1.00 0.16 C ATOM 264 CH2 TRP A 27 -2.925 -10.008 1.431 1.00 0.16 C ATOM 0 H TRP A 27 -0.637 -5.563 -3.354 1.00 0.11 H new ATOM 0 HA TRP A 27 1.284 -5.141 -1.323 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -0.844 -4.666 -0.622 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.570 -5.960 -1.555 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.408 -5.519 1.803 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.338 -7.389 3.422 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.590 -8.152 -1.395 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -1.997 -9.633 3.317 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.724 -10.169 -0.555 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.439 -10.892 1.780 1.00 0.16 H new ATOM 275 N ARG A 28 0.684 -8.233 -2.191 1.00 0.12 N ATOM 276 CA ARG A 28 1.204 -9.582 -2.102 1.00 0.13 C ATOM 277 C ARG A 28 2.704 -9.570 -2.406 1.00 0.13 C ATOM 278 O ARG A 28 3.489 -10.276 -1.765 1.00 0.15 O ATOM 279 CB ARG A 28 0.450 -10.501 -3.064 1.00 0.16 C ATOM 280 CG ARG A 28 -1.060 -10.417 -2.907 1.00 0.19 C ATOM 281 CD ARG A 28 -1.775 -11.459 -3.747 1.00 0.53 C ATOM 282 NE ARG A 28 -1.480 -11.318 -5.172 1.00 1.32 N ATOM 283 CZ ARG A 28 -2.062 -12.041 -6.128 1.00 1.90 C ATOM 284 NH1 ARG A 28 -2.953 -12.974 -5.812 1.00 1.88 N ATOM 285 NH2 ARG A 28 -1.739 -11.841 -7.397 1.00 2.63 N ATOM 0 H ARG A 28 -0.058 -8.109 -2.880 1.00 0.12 H new ATOM 0 HA ARG A 28 1.059 -9.966 -1.092 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.718 -10.243 -4.089 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.770 -11.530 -2.900 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.324 -10.553 -1.858 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.400 -9.422 -3.195 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -1.482 -12.455 -3.414 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -2.850 -11.374 -3.590 1.00 0.53 H new ATOM 0 HE ARG A 28 -0.787 -10.624 -5.451 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -3.194 -13.139 -4.835 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -3.396 -13.525 -6.547 1.00 1.88 H new ATOM 0 HH21 ARG A 28 -1.045 -11.134 -7.641 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -2.184 -12.394 -8.130 1.00 2.63 H new ATOM 299 N GLU A 29 3.099 -8.730 -3.361 1.00 0.13 N ATOM 300 CA GLU A 29 4.517 -8.528 -3.660 1.00 0.14 C ATOM 301 C GLU A 29 5.198 -7.725 -2.547 1.00 0.12 C ATOM 302 O GLU A 29 6.335 -8.007 -2.181 1.00 0.13 O ATOM 303 CB GLU A 29 4.693 -7.821 -5.002 1.00 0.17 C ATOM 304 CG GLU A 29 6.148 -7.645 -5.411 1.00 0.22 C ATOM 305 CD GLU A 29 6.300 -7.228 -6.857 1.00 0.62 C ATOM 306 OE1 GLU A 29 6.110 -6.035 -7.162 1.00 0.97 O ATOM 307 OE2 GLU A 29 6.605 -8.098 -7.698 1.00 0.84 O ATOM 0 H GLU A 29 2.462 -8.181 -3.938 1.00 0.13 H new ATOM 0 HA GLU A 29 4.990 -9.508 -3.720 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.174 -8.389 -5.774 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.217 -6.842 -4.953 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.614 -6.896 -4.770 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.683 -8.581 -5.249 1.00 0.22 H new ATOM 314 N HIS A 30 4.506 -6.699 -2.047 1.00 0.12 N ATOM 315 CA HIS A 30 4.962 -5.947 -0.868 1.00 0.11 C ATOM 316 C HIS A 30 5.376 -6.901 0.248 1.00 0.12 C ATOM 317 O HIS A 30 6.364 -6.658 0.940 1.00 0.13 O ATOM 318 CB HIS A 30 3.860 -4.987 -0.373 1.00 0.11 C ATOM 319 CG HIS A 30 4.208 -4.194 0.868 1.00 0.11 C ATOM 320 ND1 HIS A 30 3.261 -3.761 1.777 1.00 0.11 N ATOM 321 CD2 HIS A 30 5.394 -3.733 1.329 1.00 0.14 C ATOM 322 CE1 HIS A 30 3.855 -3.067 2.737 1.00 0.11 C ATOM 323 NE2 HIS A 30 5.147 -3.038 2.488 1.00 0.13 N ATOM 0 H HIS A 30 3.625 -6.367 -2.439 1.00 0.12 H new ATOM 0 HA HIS A 30 5.830 -5.354 -1.157 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.620 -4.289 -1.176 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.958 -5.566 -0.174 1.00 0.11 H new ATOM 0 HD2 HIS A 30 6.359 -3.884 0.869 1.00 0.14 H new ATOM 0 HE1 HIS A 30 3.363 -2.604 3.580 1.00 0.11 H new ATOM 0 HE2 HIS A 30 5.851 -2.575 3.063 1.00 0.13 H new ATOM 332 N ASN A 31 4.617 -7.979 0.414 1.00 0.14 N ATOM 333 CA ASN A 31 4.945 -9.008 1.394 1.00 0.17 C ATOM 334 C ASN A 31 6.324 -9.583 1.124 1.00 0.16 C ATOM 335 O ASN A 31 7.169 -9.648 2.018 1.00 0.18 O ATOM 336 CB ASN A 31 3.906 -10.129 1.393 1.00 0.23 C ATOM 337 CG ASN A 31 2.673 -9.780 2.199 1.00 0.88 C ATOM 338 OD1 ASN A 31 2.622 -10.009 3.405 1.00 1.78 O ATOM 339 ND2 ASN A 31 1.666 -9.231 1.541 1.00 1.54 N ATOM 0 H ASN A 31 3.767 -8.163 -0.120 1.00 0.14 H new ATOM 0 HA ASN A 31 4.941 -8.538 2.377 1.00 0.17 H new ATOM 0 HB2 ASN A 31 3.614 -10.348 0.366 1.00 0.23 H new ATOM 0 HB3 ASN A 31 4.355 -11.036 1.797 1.00 0.23 H new ATOM 0 HD21 ASN A 31 0.809 -8.982 2.035 1.00 1.54 H new ATOM 0 HD22 ASN A 31 1.746 -9.056 0.539 1.00 1.54 H new ATOM 346 N ALA A 32 6.548 -9.962 -0.123 1.00 0.17 N ATOM 347 CA ALA A 32 7.817 -10.538 -0.537 1.00 0.18 C ATOM 348 C ALA A 32 8.950 -9.524 -0.439 1.00 0.16 C ATOM 349 O ALA A 32 9.911 -9.721 0.304 1.00 0.19 O ATOM 350 CB ALA A 32 7.706 -11.047 -1.961 1.00 0.19 C ATOM 0 H ALA A 32 5.861 -9.880 -0.872 1.00 0.17 H new ATOM 0 HA ALA A 32 8.048 -11.365 0.135 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.659 -11.478 -2.269 1.00 0.19 H new ATOM 0 HB2 ALA A 32 6.928 -11.809 -2.015 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.451 -10.220 -2.624 1.00 0.19 H new ATOM 356 N SER A 33 8.817 -8.437 -1.189 1.00 0.13 N ATOM 357 CA SER A 33 9.878 -7.444 -1.326 1.00 0.14 C ATOM 358 C SER A 33 10.322 -6.847 0.014 1.00 0.18 C ATOM 359 O SER A 33 11.493 -6.512 0.179 1.00 0.27 O ATOM 360 CB SER A 33 9.427 -6.332 -2.280 1.00 0.13 C ATOM 361 OG SER A 33 10.466 -5.400 -2.514 1.00 0.17 O ATOM 0 H SER A 33 7.973 -8.218 -1.719 1.00 0.13 H new ATOM 0 HA SER A 33 10.746 -7.960 -1.736 1.00 0.14 H new ATOM 0 HB2 SER A 33 9.108 -6.769 -3.226 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.563 -5.818 -1.859 1.00 0.13 H new ATOM 0 HG SER A 33 10.677 -5.379 -3.471 1.00 0.17 H new ATOM 367 N ARG A 34 9.408 -6.712 0.968 1.00 0.19 N ATOM 368 CA ARG A 34 9.752 -6.100 2.248 1.00 0.23 C ATOM 369 C ARG A 34 9.957 -7.143 3.340 1.00 0.26 C ATOM 370 O ARG A 34 10.225 -6.796 4.492 1.00 0.31 O ATOM 371 CB ARG A 34 8.707 -5.063 2.646 1.00 0.22 C ATOM 372 CG ARG A 34 8.725 -3.833 1.748 1.00 0.23 C ATOM 373 CD ARG A 34 10.012 -3.031 1.894 1.00 0.27 C ATOM 374 NE ARG A 34 10.083 -2.324 3.171 1.00 0.34 N ATOM 375 CZ ARG A 34 10.943 -1.341 3.429 1.00 0.71 C ATOM 376 NH1 ARG A 34 11.857 -1.002 2.528 1.00 1.04 N ATOM 377 NH2 ARG A 34 10.900 -0.712 4.596 1.00 0.86 N ATOM 0 H ARG A 34 8.437 -7.013 0.883 1.00 0.19 H new ATOM 0 HA ARG A 34 10.706 -5.586 2.126 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.717 -5.519 2.611 1.00 0.22 H new ATOM 0 HB3 ARG A 34 8.880 -4.757 3.678 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.608 -4.142 0.709 1.00 0.23 H new ATOM 0 HG3 ARG A 34 7.873 -3.197 1.989 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.867 -3.701 1.804 1.00 0.27 H new ATOM 0 HD3 ARG A 34 10.084 -2.311 1.078 1.00 0.27 H new ATOM 0 HE ARG A 34 9.435 -2.600 3.909 1.00 0.34 H new ATOM 0 HH11 ARG A 34 11.901 -1.495 1.636 1.00 1.04 H new ATOM 0 HH12 ARG A 34 12.515 -0.249 2.728 1.00 1.04 H new ATOM 0 HH21 ARG A 34 10.208 -0.981 5.295 1.00 0.86 H new ATOM 0 HH22 ARG A 34 11.559 0.041 4.794 1.00 0.86 H new ATOM 391 N LYS A 35 9.820 -8.418 2.970 1.00 0.26 N ATOM 392 CA LYS A 35 10.164 -9.542 3.846 1.00 0.30 C ATOM 393 C LYS A 35 9.323 -9.544 5.116 1.00 0.34 C ATOM 394 O LYS A 35 9.752 -10.044 6.157 1.00 0.58 O ATOM 395 CB LYS A 35 11.654 -9.536 4.213 1.00 0.33 C ATOM 396 CG LYS A 35 12.587 -9.922 3.072 1.00 0.54 C ATOM 397 CD LYS A 35 12.824 -8.771 2.108 1.00 1.10 C ATOM 398 CE LYS A 35 13.671 -9.203 0.922 1.00 0.95 C ATOM 399 NZ LYS A 35 14.980 -9.770 1.345 1.00 1.27 N ATOM 0 H LYS A 35 9.468 -8.701 2.056 1.00 0.26 H new ATOM 0 HA LYS A 35 9.946 -10.451 3.285 1.00 0.30 H new ATOM 0 HB2 LYS A 35 11.924 -8.541 4.566 1.00 0.33 H new ATOM 0 HB3 LYS A 35 11.813 -10.223 5.044 1.00 0.33 H new ATOM 0 HG2 LYS A 35 13.541 -10.253 3.482 1.00 0.54 H new ATOM 0 HG3 LYS A 35 12.163 -10.767 2.529 1.00 0.54 H new ATOM 0 HD2 LYS A 35 11.867 -8.389 1.753 1.00 1.10 H new ATOM 0 HD3 LYS A 35 13.319 -7.953 2.631 1.00 1.10 H new ATOM 0 HE2 LYS A 35 13.126 -9.946 0.340 1.00 0.95 H new ATOM 0 HE3 LYS A 35 13.841 -8.348 0.268 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 15.590 -9.894 0.512 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 15.438 -9.122 2.017 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 14.828 -10.692 1.802 1.00 1.27 H new ATOM 413 N LEU A 36 8.135 -8.974 5.029 1.00 0.26 N ATOM 414 CA LEU A 36 7.211 -8.923 6.148 1.00 0.31 C ATOM 415 C LEU A 36 6.065 -9.900 5.927 1.00 0.34 C ATOM 416 O LEU A 36 6.121 -10.760 5.044 1.00 0.36 O ATOM 417 CB LEU A 36 6.682 -7.483 6.313 1.00 0.32 C ATOM 418 CG LEU A 36 6.688 -6.645 5.035 1.00 0.26 C ATOM 419 CD1 LEU A 36 5.748 -7.239 4.014 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.312 -5.206 5.320 1.00 0.30 C ATOM 0 H LEU A 36 7.783 -8.533 4.179 1.00 0.26 H new ATOM 0 HA LEU A 36 7.730 -9.212 7.062 1.00 0.31 H new ATOM 0 HB2 LEU A 36 5.663 -7.528 6.696 1.00 0.32 H new ATOM 0 HB3 LEU A 36 7.284 -6.975 7.066 1.00 0.32 H new ATOM 0 HG LEU A 36 7.701 -6.655 4.632 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.763 -6.632 3.109 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.065 -8.254 3.775 1.00 0.26 H new ATOM 0 HD13 LEU A 36 4.737 -7.261 4.420 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.325 -4.636 4.391 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.313 -5.170 5.754 1.00 0.30 H new ATOM 0 HD23 LEU A 36 7.027 -4.775 6.021 1.00 0.30 H new ATOM 432 N ASP A 37 5.035 -9.760 6.731 1.00 0.41 N ATOM 433 CA ASP A 37 3.864 -10.622 6.657 1.00 0.47 C ATOM 434 C ASP A 37 2.643 -9.781 6.980 1.00 0.51 C ATOM 435 O ASP A 37 1.751 -10.178 7.728 1.00 1.00 O ATOM 436 CB ASP A 37 3.995 -11.801 7.631 1.00 0.54 C ATOM 437 CG ASP A 37 2.921 -12.854 7.425 1.00 0.68 C ATOM 438 OD1 ASP A 37 2.925 -13.513 6.366 1.00 0.73 O ATOM 439 OD2 ASP A 37 2.075 -13.040 8.327 1.00 0.85 O ATOM 0 H ASP A 37 4.980 -9.046 7.457 1.00 0.41 H new ATOM 0 HA ASP A 37 3.769 -11.043 5.656 1.00 0.47 H new ATOM 0 HB2 ASP A 37 4.976 -12.260 7.509 1.00 0.54 H new ATOM 0 HB3 ASP A 37 3.942 -11.429 8.654 1.00 0.54 H new ATOM 444 N LEU A 38 2.644 -8.589 6.411 1.00 0.26 N ATOM 445 CA LEU A 38 1.624 -7.598 6.683 1.00 0.26 C ATOM 446 C LEU A 38 0.324 -7.971 5.990 1.00 0.26 C ATOM 447 O LEU A 38 0.329 -8.606 4.933 1.00 0.32 O ATOM 448 CB LEU A 38 2.103 -6.220 6.208 1.00 0.32 C ATOM 449 CG LEU A 38 1.653 -5.809 4.825 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.705 -4.304 4.715 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.513 -6.459 3.757 1.00 0.34 C ATOM 0 H LEU A 38 3.354 -8.282 5.746 1.00 0.26 H new ATOM 0 HA LEU A 38 1.442 -7.562 7.757 1.00 0.26 H new ATOM 0 HB2 LEU A 38 1.757 -5.471 6.920 1.00 0.32 H new ATOM 0 HB3 LEU A 38 3.193 -6.206 6.234 1.00 0.32 H new ATOM 0 HG LEU A 38 0.629 -6.147 4.667 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.382 -4.001 3.719 1.00 0.26 H new ATOM 0 HD12 LEU A 38 1.045 -3.862 5.461 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.726 -3.962 4.885 1.00 0.26 H new ATOM 0 HD21 LEU A 38 2.168 -6.146 2.772 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.551 -6.155 3.891 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.439 -7.543 3.840 1.00 0.34 H new ATOM 463 N SER A 39 -0.787 -7.555 6.567 1.00 0.22 N ATOM 464 CA SER A 39 -2.077 -7.811 5.965 1.00 0.21 C ATOM 465 C SER A 39 -2.408 -6.699 4.987 1.00 0.17 C ATOM 466 O SER A 39 -1.715 -5.676 4.958 1.00 0.25 O ATOM 467 CB SER A 39 -3.168 -7.927 7.023 1.00 0.29 C ATOM 468 OG SER A 39 -2.917 -9.002 7.909 1.00 0.64 O ATOM 0 H SER A 39 -0.821 -7.041 7.447 1.00 0.22 H new ATOM 0 HA SER A 39 -2.029 -8.762 5.434 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.231 -6.996 7.587 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.133 -8.071 6.538 1.00 0.29 H new ATOM 0 HG SER A 39 -3.633 -9.050 8.577 1.00 0.64 H new ATOM 474 N VAL A 40 -3.447 -6.879 4.198 1.00 0.18 N ATOM 475 CA VAL A 40 -3.745 -5.933 3.152 1.00 0.15 C ATOM 476 C VAL A 40 -4.104 -4.587 3.744 1.00 0.15 C ATOM 477 O VAL A 40 -3.601 -3.564 3.305 1.00 0.13 O ATOM 478 CB VAL A 40 -4.860 -6.456 2.215 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.248 -5.927 2.562 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.503 -6.126 0.798 1.00 0.17 C ATOM 0 H VAL A 40 -4.092 -7.666 4.263 1.00 0.18 H new ATOM 0 HA VAL A 40 -2.850 -5.808 2.543 1.00 0.15 H new ATOM 0 HB VAL A 40 -4.918 -7.536 2.350 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -6.978 -6.336 1.864 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.509 -6.228 3.577 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.250 -4.839 2.494 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.284 -6.491 0.131 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.409 -5.046 0.689 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.556 -6.601 0.541 1.00 0.17 H new ATOM 490 N GLU A 41 -4.934 -4.610 4.769 1.00 0.17 N ATOM 491 CA GLU A 41 -5.372 -3.396 5.424 1.00 0.17 C ATOM 492 C GLU A 41 -4.176 -2.544 5.846 1.00 0.14 C ATOM 493 O GLU A 41 -4.152 -1.340 5.600 1.00 0.14 O ATOM 494 CB GLU A 41 -6.253 -3.746 6.606 1.00 0.24 C ATOM 495 CG GLU A 41 -7.226 -4.858 6.269 1.00 0.30 C ATOM 496 CD GLU A 41 -8.416 -4.915 7.190 1.00 0.46 C ATOM 497 OE1 GLU A 41 -8.232 -5.129 8.403 1.00 0.65 O ATOM 498 OE2 GLU A 41 -9.547 -4.735 6.698 1.00 0.82 O ATOM 0 H GLU A 41 -5.321 -5.465 5.168 1.00 0.17 H new ATOM 0 HA GLU A 41 -5.957 -2.801 4.723 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.630 -4.050 7.447 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.806 -2.862 6.922 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -7.575 -4.726 5.245 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -6.701 -5.813 6.307 1.00 0.30 H new ATOM 505 N ASP A 42 -3.173 -3.170 6.456 1.00 0.15 N ATOM 506 CA ASP A 42 -1.943 -2.469 6.800 1.00 0.16 C ATOM 507 C ASP A 42 -1.308 -1.828 5.569 1.00 0.13 C ATOM 508 O ASP A 42 -0.853 -0.687 5.626 1.00 0.16 O ATOM 509 CB ASP A 42 -0.941 -3.409 7.473 1.00 0.23 C ATOM 510 CG ASP A 42 -1.234 -3.628 8.944 1.00 0.43 C ATOM 511 OD1 ASP A 42 -1.998 -4.564 9.271 1.00 0.57 O ATOM 512 OD2 ASP A 42 -0.712 -2.862 9.780 1.00 0.66 O ATOM 0 H ASP A 42 -3.189 -4.155 6.720 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.208 -1.680 7.504 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.950 -4.370 6.959 1.00 0.23 H new ATOM 0 HB3 ASP A 42 0.063 -2.999 7.365 1.00 0.23 H new ATOM 517 N PHE A 43 -1.292 -2.556 4.452 1.00 0.11 N ATOM 518 CA PHE A 43 -0.789 -2.008 3.195 1.00 0.10 C ATOM 519 C PHE A 43 -1.612 -0.800 2.799 1.00 0.08 C ATOM 520 O PHE A 43 -1.078 0.271 2.508 1.00 0.09 O ATOM 521 CB PHE A 43 -0.853 -3.044 2.058 1.00 0.12 C ATOM 522 CG PHE A 43 -0.534 -2.481 0.679 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.392 -1.579 0.054 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.624 -2.845 0.013 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.107 -1.059 -1.179 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.914 -2.327 -1.238 1.00 0.13 C ATOM 527 CZ PHE A 43 0.047 -1.429 -1.831 1.00 0.17 C ATOM 0 H PHE A 43 -1.620 -3.520 4.393 1.00 0.11 H new ATOM 0 HA PHE A 43 0.253 -1.727 3.351 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.155 -3.852 2.278 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -1.851 -3.482 2.037 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.303 -1.284 0.554 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.309 -3.541 0.474 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -1.787 -0.359 -1.640 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.817 -2.625 -1.750 1.00 0.13 H new ATOM 0 HZ PHE A 43 0.275 -1.019 -2.804 1.00 0.17 H new ATOM 537 N LEU A 44 -2.916 -1.017 2.736 1.00 0.09 N ATOM 538 CA LEU A 44 -3.853 -0.024 2.243 1.00 0.11 C ATOM 539 C LEU A 44 -3.715 1.261 3.020 1.00 0.11 C ATOM 540 O LEU A 44 -3.932 2.330 2.474 1.00 0.14 O ATOM 541 CB LEU A 44 -5.288 -0.557 2.313 1.00 0.13 C ATOM 542 CG LEU A 44 -5.470 -1.997 1.832 1.00 0.14 C ATOM 543 CD1 LEU A 44 -6.897 -2.252 1.434 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.547 -2.331 0.678 1.00 0.15 C ATOM 0 H LEU A 44 -3.355 -1.891 3.027 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.622 0.185 1.198 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.634 -0.488 3.344 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -5.930 0.092 1.717 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.210 -2.645 2.669 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.002 -3.283 1.095 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.549 -2.083 2.291 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.176 -1.575 0.627 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -4.710 -3.363 0.369 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -4.755 -1.664 -0.159 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.511 -2.206 0.993 1.00 0.15 H new ATOM 556 N MET A 45 -3.326 1.143 4.282 1.00 0.12 N ATOM 557 CA MET A 45 -3.021 2.315 5.098 1.00 0.14 C ATOM 558 C MET A 45 -1.812 3.045 4.531 1.00 0.11 C ATOM 559 O MET A 45 -1.877 4.235 4.233 1.00 0.12 O ATOM 560 CB MET A 45 -2.746 1.935 6.557 1.00 0.20 C ATOM 561 CG MET A 45 -3.951 1.370 7.280 1.00 0.32 C ATOM 562 SD MET A 45 -3.749 1.349 9.076 1.00 0.55 S ATOM 563 CE MET A 45 -2.612 -0.016 9.286 1.00 1.27 C ATOM 0 H MET A 45 -3.214 0.251 4.764 1.00 0.12 H new ATOM 0 HA MET A 45 -3.894 2.967 5.074 1.00 0.14 H new ATOM 0 HB2 MET A 45 -1.940 1.202 6.586 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.394 2.817 7.092 1.00 0.20 H new ATOM 0 HG2 MET A 45 -4.831 1.961 7.025 1.00 0.32 H new ATOM 0 HG3 MET A 45 -4.136 0.355 6.929 1.00 0.32 H new ATOM 0 HE1 MET A 45 -2.136 0.054 10.264 1.00 1.27 H new ATOM 0 HE2 MET A 45 -3.157 -0.957 9.215 1.00 1.27 H new ATOM 0 HE3 MET A 45 -1.850 0.022 8.508 1.00 1.27 H new ATOM 573 N LEU A 46 -0.715 2.309 4.390 1.00 0.10 N ATOM 574 CA LEU A 46 0.534 2.846 3.851 1.00 0.11 C ATOM 575 C LEU A 46 0.305 3.610 2.548 1.00 0.12 C ATOM 576 O LEU A 46 0.660 4.785 2.437 1.00 0.14 O ATOM 577 CB LEU A 46 1.541 1.713 3.609 1.00 0.12 C ATOM 578 CG LEU A 46 1.757 0.759 4.785 1.00 0.12 C ATOM 579 CD1 LEU A 46 2.917 -0.179 4.518 1.00 0.14 C ATOM 580 CD2 LEU A 46 1.996 1.539 6.060 1.00 0.12 C ATOM 0 H LEU A 46 -0.664 1.323 4.646 1.00 0.10 H new ATOM 0 HA LEU A 46 0.934 3.542 4.589 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.207 1.132 2.749 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.501 2.155 3.342 1.00 0.12 H new ATOM 0 HG LEU A 46 0.855 0.159 4.903 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.049 -0.846 5.370 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.711 -0.768 3.624 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.827 0.402 4.368 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.148 0.846 6.887 1.00 0.12 H new ATOM 0 HD22 LEU A 46 2.881 2.164 5.943 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.131 2.169 6.269 1.00 0.12 H new ATOM 592 N ARG A 47 -0.295 2.944 1.568 1.00 0.12 N ATOM 593 CA ARG A 47 -0.544 3.568 0.277 1.00 0.15 C ATOM 594 C ARG A 47 -1.573 4.692 0.398 1.00 0.15 C ATOM 595 O ARG A 47 -1.404 5.743 -0.213 1.00 0.20 O ATOM 596 CB ARG A 47 -0.972 2.519 -0.759 1.00 0.25 C ATOM 597 CG ARG A 47 -2.203 2.902 -1.560 1.00 0.91 C ATOM 598 CD ARG A 47 -3.404 2.051 -1.190 1.00 0.40 C ATOM 599 NE ARG A 47 -4.659 2.716 -1.548 1.00 1.16 N ATOM 600 CZ ARG A 47 -5.130 2.813 -2.793 1.00 1.30 C ATOM 601 NH1 ARG A 47 -4.472 2.259 -3.797 1.00 1.51 N ATOM 602 NH2 ARG A 47 -6.258 3.465 -3.031 1.00 2.08 N ATOM 0 H ARG A 47 -0.616 1.979 1.643 1.00 0.12 H new ATOM 0 HA ARG A 47 0.387 4.017 -0.070 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.144 2.345 -1.447 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -1.164 1.576 -0.247 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -2.436 3.953 -1.388 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -1.993 2.791 -2.624 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.342 1.089 -1.699 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -3.391 1.846 -0.119 1.00 0.40 H new ATOM 0 HE ARG A 47 -5.209 3.132 -0.797 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -3.602 1.756 -3.621 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -4.834 2.335 -4.748 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -6.770 3.895 -2.261 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -6.614 3.537 -3.984 1.00 2.08 H new ATOM 616 N HIS A 48 -2.657 4.438 1.140 1.00 0.14 N ATOM 617 CA HIS A 48 -3.628 5.486 1.479 1.00 0.15 C ATOM 618 C HIS A 48 -2.915 6.769 1.848 1.00 0.17 C ATOM 619 O HIS A 48 -3.001 7.751 1.131 1.00 0.20 O ATOM 620 CB HIS A 48 -4.529 5.072 2.649 1.00 0.18 C ATOM 621 CG HIS A 48 -5.900 4.597 2.265 1.00 0.21 C ATOM 622 ND1 HIS A 48 -6.832 4.191 3.191 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.483 4.433 1.056 1.00 0.21 C ATOM 624 CE1 HIS A 48 -7.922 3.792 2.573 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.744 3.921 1.272 1.00 0.31 N ATOM 0 H HIS A 48 -2.884 3.518 1.517 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.248 5.641 0.596 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -4.031 4.279 3.207 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.632 5.921 3.325 1.00 0.18 H new ATOM 0 HD2 HIS A 48 -6.041 4.661 0.097 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -8.816 3.420 3.052 1.00 0.47 H new ATOM 0 HE2 HIS A 48 -8.424 3.683 0.550 1.00 0.31 H new ATOM 634 N ARG A 49 -2.136 6.725 2.915 1.00 0.17 N ATOM 635 CA ARG A 49 -1.539 7.933 3.459 1.00 0.18 C ATOM 636 C ARG A 49 -0.680 8.627 2.407 1.00 0.22 C ATOM 637 O ARG A 49 -0.744 9.841 2.242 1.00 0.28 O ATOM 638 CB ARG A 49 -0.715 7.606 4.685 1.00 0.16 C ATOM 639 CG ARG A 49 -1.496 6.818 5.713 1.00 0.17 C ATOM 640 CD ARG A 49 -0.748 6.748 7.014 1.00 0.17 C ATOM 641 NE ARG A 49 -0.984 5.484 7.712 1.00 0.29 N ATOM 642 CZ ARG A 49 -1.737 5.357 8.807 1.00 0.52 C ATOM 643 NH1 ARG A 49 -2.323 6.420 9.350 1.00 0.69 N ATOM 644 NH2 ARG A 49 -1.901 4.165 9.363 1.00 0.68 N ATOM 0 H ARG A 49 -1.903 5.870 3.420 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.339 8.613 3.750 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.165 7.036 4.386 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.357 8.532 5.136 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.469 7.284 5.872 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.682 5.811 5.341 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.319 6.865 6.826 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -1.052 7.577 7.653 1.00 0.17 H new ATOM 0 HE ARG A 49 -0.544 4.644 7.337 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -2.199 7.341 8.930 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -2.897 6.314 10.187 1.00 0.69 H new ATOM 0 HH21 ARG A 49 -1.452 3.345 8.954 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -2.476 4.067 10.200 1.00 0.68 H new ATOM 658 N ALA A 50 0.097 7.831 1.685 1.00 0.24 N ATOM 659 CA ALA A 50 0.947 8.341 0.617 1.00 0.31 C ATOM 660 C ALA A 50 0.117 9.017 -0.482 1.00 0.35 C ATOM 661 O ALA A 50 0.337 10.188 -0.798 1.00 0.42 O ATOM 662 CB ALA A 50 1.801 7.218 0.041 1.00 0.34 C ATOM 0 H ALA A 50 0.156 6.822 1.821 1.00 0.24 H new ATOM 0 HA ALA A 50 1.607 9.098 1.040 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.431 7.612 -0.756 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.429 6.799 0.827 1.00 0.34 H new ATOM 0 HB3 ALA A 50 1.154 6.438 -0.361 1.00 0.34 H new ATOM 668 N ALA A 51 -0.823 8.273 -1.068 1.00 0.34 N ATOM 669 CA ALA A 51 -1.709 8.803 -2.105 1.00 0.43 C ATOM 670 C ALA A 51 -2.507 10.015 -1.631 1.00 0.41 C ATOM 671 O ALA A 51 -2.671 10.986 -2.372 1.00 0.47 O ATOM 672 CB ALA A 51 -2.672 7.720 -2.573 1.00 0.52 C ATOM 0 H ALA A 51 -0.991 7.293 -0.839 1.00 0.34 H new ATOM 0 HA ALA A 51 -1.073 9.126 -2.929 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -3.327 8.124 -3.345 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -2.107 6.881 -2.980 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -3.272 7.378 -1.730 1.00 0.52 H new ATOM 678 N LEU A 52 -3.009 9.955 -0.407 1.00 0.36 N ATOM 679 CA LEU A 52 -3.892 10.996 0.102 1.00 0.39 C ATOM 680 C LEU A 52 -3.088 12.224 0.523 1.00 0.40 C ATOM 681 O LEU A 52 -3.077 13.232 -0.182 1.00 0.46 O ATOM 682 CB LEU A 52 -4.736 10.469 1.268 1.00 0.39 C ATOM 683 CG LEU A 52 -5.342 9.081 1.049 1.00 0.36 C ATOM 684 CD1 LEU A 52 -6.066 8.600 2.291 1.00 0.39 C ATOM 685 CD2 LEU A 52 -6.261 9.078 -0.153 1.00 0.43 C ATOM 0 H LEU A 52 -2.821 9.199 0.252 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.570 11.292 -0.698 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -4.115 10.441 2.163 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.543 11.175 1.462 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.527 8.385 0.850 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.487 7.611 2.107 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.364 8.547 3.123 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -6.868 9.296 2.537 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.680 8.081 -0.288 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -7.069 9.792 0.005 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.697 9.359 -1.043 1.00 0.43 H new ATOM 697 N GLY A 53 -2.404 12.139 1.659 1.00 0.36 N ATOM 698 CA GLY A 53 -1.547 13.234 2.077 1.00 0.37 C ATOM 699 C GLY A 53 -0.979 13.062 3.475 1.00 0.36 C ATOM 700 O GLY A 53 -0.454 14.012 4.053 1.00 0.55 O ATOM 0 H GLY A 53 -2.426 11.340 2.293 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -0.724 13.331 1.369 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -2.114 14.164 2.036 1.00 0.37 H new ATOM 704 N ALA A 54 -1.070 11.858 4.023 1.00 0.30 N ATOM 705 CA ALA A 54 -0.573 11.596 5.366 1.00 0.27 C ATOM 706 C ALA A 54 0.841 11.029 5.319 1.00 0.23 C ATOM 707 O ALA A 54 1.144 10.144 4.521 1.00 0.24 O ATOM 708 CB ALA A 54 -1.508 10.657 6.105 1.00 0.29 C ATOM 0 H ALA A 54 -1.483 11.049 3.559 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.538 12.540 5.909 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -1.121 10.472 7.107 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.497 11.110 6.176 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.579 9.714 5.564 1.00 0.29 H new ATOM 714 N ASP A 55 1.702 11.546 6.179 1.00 0.24 N ATOM 715 CA ASP A 55 3.105 11.157 6.185 1.00 0.24 C ATOM 716 C ASP A 55 3.473 10.436 7.469 1.00 0.21 C ATOM 717 O ASP A 55 4.470 10.756 8.114 1.00 0.25 O ATOM 718 CB ASP A 55 4.015 12.375 5.991 1.00 0.33 C ATOM 719 CG ASP A 55 4.077 12.837 4.549 1.00 1.21 C ATOM 720 OD1 ASP A 55 3.059 13.344 4.033 1.00 1.37 O ATOM 721 OD2 ASP A 55 5.143 12.682 3.920 1.00 1.93 O ATOM 0 H ASP A 55 1.454 12.239 6.885 1.00 0.24 H new ATOM 0 HA ASP A 55 3.254 10.472 5.350 1.00 0.24 H new ATOM 0 HB2 ASP A 55 3.657 13.194 6.615 1.00 0.33 H new ATOM 0 HB3 ASP A 55 5.021 12.130 6.333 1.00 0.33 H new ATOM 726 N ASP A 56 2.655 9.471 7.842 1.00 0.19 N ATOM 727 CA ASP A 56 2.986 8.597 8.959 1.00 0.22 C ATOM 728 C ASP A 56 4.075 7.617 8.520 1.00 0.17 C ATOM 729 O ASP A 56 3.953 6.985 7.478 1.00 0.21 O ATOM 730 CB ASP A 56 1.754 7.843 9.448 1.00 0.30 C ATOM 731 CG ASP A 56 1.958 7.252 10.825 1.00 0.65 C ATOM 732 OD1 ASP A 56 2.613 6.192 10.931 1.00 0.93 O ATOM 733 OD2 ASP A 56 1.476 7.835 11.811 1.00 0.86 O ATOM 0 H ASP A 56 1.761 9.270 7.394 1.00 0.19 H new ATOM 0 HA ASP A 56 3.352 9.202 9.789 1.00 0.22 H new ATOM 0 HB2 ASP A 56 0.900 8.519 9.467 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.514 7.046 8.744 1.00 0.30 H new ATOM 738 N ASN A 57 5.144 7.543 9.307 1.00 0.23 N ATOM 739 CA ASN A 57 6.367 6.821 8.950 1.00 0.20 C ATOM 740 C ASN A 57 6.188 5.480 8.224 1.00 0.17 C ATOM 741 O ASN A 57 6.900 5.227 7.258 1.00 0.18 O ATOM 742 CB ASN A 57 7.238 6.604 10.171 1.00 0.25 C ATOM 743 CG ASN A 57 6.548 5.836 11.280 1.00 0.35 C ATOM 744 OD1 ASN A 57 5.900 6.420 12.148 1.00 0.70 O ATOM 745 ND2 ASN A 57 6.689 4.519 11.264 1.00 0.47 N ATOM 0 H ASN A 57 5.189 7.988 10.224 1.00 0.23 H new ATOM 0 HA ASN A 57 6.842 7.481 8.224 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.138 6.066 9.874 1.00 0.25 H new ATOM 0 HB3 ASN A 57 7.558 7.572 10.556 1.00 0.25 H new ATOM 0 HD21 ASN A 57 6.252 3.950 11.989 1.00 0.47 H new ATOM 0 HD22 ASN A 57 7.235 4.073 10.526 1.00 0.47 H new ATOM 752 N ASP A 58 5.291 4.609 8.670 1.00 0.18 N ATOM 753 CA ASP A 58 5.148 3.304 8.013 1.00 0.19 C ATOM 754 C ASP A 58 4.697 3.494 6.576 1.00 0.16 C ATOM 755 O ASP A 58 5.118 2.774 5.669 1.00 0.19 O ATOM 756 CB ASP A 58 4.198 2.363 8.772 1.00 0.22 C ATOM 757 CG ASP A 58 2.927 3.023 9.277 1.00 1.28 C ATOM 758 OD1 ASP A 58 2.136 3.535 8.463 1.00 2.31 O ATOM 759 OD2 ASP A 58 2.708 3.010 10.505 1.00 1.35 O ATOM 0 H ASP A 58 4.666 4.769 9.460 1.00 0.18 H new ATOM 0 HA ASP A 58 6.126 2.823 8.019 1.00 0.19 H new ATOM 0 HB2 ASP A 58 3.927 1.535 8.117 1.00 0.22 H new ATOM 0 HB3 ASP A 58 4.732 1.936 9.621 1.00 0.22 H new ATOM 764 N ALA A 59 3.867 4.492 6.394 1.00 0.13 N ATOM 765 CA ALA A 59 3.411 4.884 5.077 1.00 0.11 C ATOM 766 C ALA A 59 4.525 5.542 4.272 1.00 0.12 C ATOM 767 O ALA A 59 4.622 5.334 3.062 1.00 0.13 O ATOM 768 CB ALA A 59 2.228 5.813 5.185 1.00 0.10 C ATOM 0 H ALA A 59 3.487 5.057 7.153 1.00 0.13 H new ATOM 0 HA ALA A 59 3.107 3.980 4.550 1.00 0.11 H new ATOM 0 HB1 ALA A 59 1.897 6.098 4.186 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.415 5.308 5.706 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.516 6.705 5.741 1.00 0.10 H new ATOM 774 N VAL A 60 5.382 6.322 4.931 1.00 0.14 N ATOM 775 CA VAL A 60 6.415 7.046 4.202 1.00 0.17 C ATOM 776 C VAL A 60 7.536 6.102 3.791 1.00 0.18 C ATOM 777 O VAL A 60 8.097 6.231 2.707 1.00 0.20 O ATOM 778 CB VAL A 60 7.009 8.244 4.986 1.00 0.21 C ATOM 779 CG1 VAL A 60 5.913 9.076 5.616 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.024 7.801 6.022 1.00 0.25 C ATOM 0 H VAL A 60 5.381 6.465 5.941 1.00 0.14 H new ATOM 0 HA VAL A 60 5.923 7.458 3.321 1.00 0.17 H new ATOM 0 HB VAL A 60 7.540 8.868 4.267 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.356 9.910 6.160 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.254 9.460 4.837 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.338 8.458 6.305 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.413 8.674 6.546 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.546 7.131 6.737 1.00 0.25 H new ATOM 0 HG23 VAL A 60 8.844 7.279 5.528 1.00 0.25 H new ATOM 790 N LYS A 61 7.865 5.158 4.668 1.00 0.19 N ATOM 791 CA LYS A 61 8.849 4.138 4.352 1.00 0.22 C ATOM 792 C LYS A 61 8.304 3.169 3.311 1.00 0.20 C ATOM 793 O LYS A 61 9.058 2.614 2.510 1.00 0.28 O ATOM 794 CB LYS A 61 9.256 3.420 5.629 1.00 0.29 C ATOM 795 CG LYS A 61 9.922 4.352 6.609 1.00 0.37 C ATOM 796 CD LYS A 61 9.940 3.763 8.002 1.00 0.49 C ATOM 797 CE LYS A 61 10.385 4.798 9.003 1.00 1.13 C ATOM 798 NZ LYS A 61 10.439 4.260 10.389 1.00 1.71 N ATOM 0 H LYS A 61 7.462 5.082 5.602 1.00 0.19 H new ATOM 0 HA LYS A 61 9.734 4.606 3.921 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.375 2.975 6.092 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.935 2.603 5.386 1.00 0.29 H new ATOM 0 HG2 LYS A 61 10.943 4.555 6.285 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.395 5.306 6.622 1.00 0.37 H new ATOM 0 HD2 LYS A 61 8.946 3.399 8.263 1.00 0.49 H new ATOM 0 HD3 LYS A 61 10.612 2.905 8.033 1.00 0.49 H new ATOM 0 HE2 LYS A 61 11.370 5.171 8.722 1.00 1.13 H new ATOM 0 HE3 LYS A 61 9.702 5.647 8.972 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 10.750 5.009 11.040 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 9.494 3.928 10.669 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 11.111 3.467 10.428 1.00 1.71 H new ATOM 812 N PHE A 62 6.988 2.978 3.318 1.00 0.14 N ATOM 813 CA PHE A 62 6.323 2.258 2.249 1.00 0.13 C ATOM 814 C PHE A 62 6.536 3.005 0.953 1.00 0.13 C ATOM 815 O PHE A 62 7.014 2.449 -0.028 1.00 0.15 O ATOM 816 CB PHE A 62 4.825 2.145 2.523 1.00 0.14 C ATOM 817 CG PHE A 62 4.047 1.535 1.390 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.938 0.157 1.256 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.425 2.342 0.459 1.00 0.15 C ATOM 820 CE1 PHE A 62 3.224 -0.396 0.217 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.709 1.794 -0.584 1.00 0.16 C ATOM 822 CZ PHE A 62 2.615 0.401 -0.696 1.00 0.17 C ATOM 0 H PHE A 62 6.366 3.313 4.053 1.00 0.14 H new ATOM 0 HA PHE A 62 6.741 1.253 2.185 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.673 1.545 3.420 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.427 3.138 2.732 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.419 -0.489 1.976 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.500 3.416 0.549 1.00 0.15 H new ATOM 0 HE1 PHE A 62 3.148 -1.470 0.128 1.00 0.18 H new ATOM 0 HE2 PHE A 62 2.225 2.433 -1.308 1.00 0.16 H new ATOM 0 HZ PHE A 62 2.057 -0.039 -1.510 1.00 0.17 H new ATOM 832 N ARG A 63 6.157 4.272 0.976 1.00 0.12 N ATOM 833 CA ARG A 63 6.349 5.177 -0.139 1.00 0.15 C ATOM 834 C ARG A 63 7.779 5.103 -0.663 1.00 0.14 C ATOM 835 O ARG A 63 8.000 4.811 -1.827 1.00 0.16 O ATOM 836 CB ARG A 63 5.997 6.593 0.339 1.00 0.21 C ATOM 837 CG ARG A 63 6.356 7.727 -0.606 1.00 0.42 C ATOM 838 CD ARG A 63 7.794 8.197 -0.411 1.00 0.39 C ATOM 839 NE ARG A 63 7.945 9.597 -0.767 1.00 0.76 N ATOM 840 CZ ARG A 63 9.108 10.199 -0.997 1.00 1.06 C ATOM 841 NH1 ARG A 63 10.245 9.518 -0.945 1.00 1.44 N ATOM 842 NH2 ARG A 63 9.130 11.493 -1.285 1.00 1.37 N ATOM 0 H ARG A 63 5.702 4.704 1.780 1.00 0.12 H new ATOM 0 HA ARG A 63 5.700 4.897 -0.969 1.00 0.15 H new ATOM 0 HB2 ARG A 63 4.925 6.633 0.531 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.498 6.768 1.291 1.00 0.21 H new ATOM 0 HG2 ARG A 63 6.218 7.398 -1.636 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.676 8.563 -0.444 1.00 0.42 H new ATOM 0 HD2 ARG A 63 8.089 8.050 0.628 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.463 7.590 -1.021 1.00 0.39 H new ATOM 0 HE ARG A 63 7.098 10.159 -0.846 1.00 0.76 H new ATOM 0 HH11 ARG A 63 10.233 8.522 -0.727 1.00 1.44 H new ATOM 0 HH12 ARG A 63 11.131 9.991 -1.123 1.00 1.44 H new ATOM 0 HH21 ARG A 63 8.258 12.021 -1.329 1.00 1.37 H new ATOM 0 HH22 ARG A 63 10.019 11.961 -1.462 1.00 1.37 H new ATOM 856 N SER A 64 8.726 5.388 0.213 1.00 0.13 N ATOM 857 CA SER A 64 10.156 5.298 -0.092 1.00 0.16 C ATOM 858 C SER A 64 10.506 4.063 -0.940 1.00 0.17 C ATOM 859 O SER A 64 11.214 4.171 -1.945 1.00 0.28 O ATOM 860 CB SER A 64 10.951 5.272 1.217 1.00 0.21 C ATOM 861 OG SER A 64 12.344 5.159 0.981 1.00 1.30 O ATOM 0 H SER A 64 8.530 5.692 1.167 1.00 0.13 H new ATOM 0 HA SER A 64 10.421 6.174 -0.683 1.00 0.16 H new ATOM 0 HB2 SER A 64 10.750 6.182 1.783 1.00 0.21 H new ATOM 0 HB3 SER A 64 10.616 4.435 1.830 1.00 0.21 H new ATOM 0 HG SER A 64 12.821 5.147 1.837 1.00 1.30 H new ATOM 867 N TRP A 65 10.000 2.903 -0.545 1.00 0.13 N ATOM 868 CA TRP A 65 10.286 1.656 -1.250 1.00 0.14 C ATOM 869 C TRP A 65 9.415 1.493 -2.498 1.00 0.13 C ATOM 870 O TRP A 65 9.918 1.207 -3.582 1.00 0.15 O ATOM 871 CB TRP A 65 10.115 0.477 -0.277 1.00 0.17 C ATOM 872 CG TRP A 65 9.816 -0.841 -0.926 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.697 -1.745 -1.435 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.524 -1.402 -1.107 1.00 0.16 C ATOM 875 NE1 TRP A 65 10.016 -2.837 -1.927 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.679 -2.642 -1.738 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.254 -0.961 -0.794 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.595 -3.450 -2.064 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.174 -1.757 -1.114 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.352 -2.994 -1.745 1.00 0.21 C ATOM 0 H TRP A 65 9.387 2.797 0.263 1.00 0.13 H new ATOM 0 HA TRP A 65 11.317 1.679 -1.603 1.00 0.14 H new ATOM 0 HB2 TRP A 65 11.026 0.376 0.312 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.310 0.713 0.419 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.770 -1.624 -1.451 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.441 -3.656 -2.361 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.108 -0.008 -0.307 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.734 -4.403 -2.552 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.176 -1.421 -0.874 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.488 -3.597 -1.983 1.00 0.21 H new ATOM 891 N TRP A 66 8.125 1.728 -2.350 1.00 0.12 N ATOM 892 CA TRP A 66 7.150 1.413 -3.388 1.00 0.13 C ATOM 893 C TRP A 66 7.127 2.468 -4.484 1.00 0.12 C ATOM 894 O TRP A 66 6.771 2.179 -5.622 1.00 0.19 O ATOM 895 CB TRP A 66 5.765 1.288 -2.755 1.00 0.16 C ATOM 896 CG TRP A 66 4.721 0.724 -3.663 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.557 1.322 -4.029 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.737 -0.547 -4.319 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.852 0.507 -4.866 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.553 -0.640 -5.061 1.00 0.27 C ATOM 901 CE3 TRP A 66 5.634 -1.613 -4.354 1.00 0.30 C ATOM 902 CZ2 TRP A 66 3.240 -1.746 -5.825 1.00 0.34 C ATOM 903 CZ3 TRP A 66 5.324 -2.721 -5.115 1.00 0.38 C ATOM 904 CH2 TRP A 66 4.135 -2.781 -5.845 1.00 0.39 C ATOM 0 H TRP A 66 7.720 2.142 -1.510 1.00 0.12 H new ATOM 0 HA TRP A 66 7.439 0.469 -3.851 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.839 0.657 -1.870 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.443 2.273 -2.418 1.00 0.16 H new ATOM 0 HD1 TRP A 66 3.236 2.301 -3.704 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.945 0.724 -5.279 1.00 0.26 H new ATOM 0 HE3 TRP A 66 6.557 -1.572 -3.794 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 2.320 -1.793 -6.388 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 6.011 -3.554 -5.147 1.00 0.38 H new ATOM 0 HH2 TRP A 66 3.918 -3.659 -6.435 1.00 0.39 H new ATOM 915 N ASN A 67 7.537 3.679 -4.154 1.00 0.17 N ATOM 916 CA ASN A 67 7.479 4.788 -5.099 1.00 0.17 C ATOM 917 C ASN A 67 8.788 4.934 -5.831 1.00 0.18 C ATOM 918 O ASN A 67 8.949 5.799 -6.685 1.00 0.22 O ATOM 919 CB ASN A 67 7.145 6.095 -4.402 1.00 0.20 C ATOM 920 CG ASN A 67 5.658 6.279 -4.229 1.00 0.23 C ATOM 921 OD1 ASN A 67 4.987 6.852 -5.083 1.00 0.31 O ATOM 922 ND2 ASN A 67 5.132 5.777 -3.134 1.00 0.38 N ATOM 0 H ASN A 67 7.915 3.924 -3.239 1.00 0.17 H new ATOM 0 HA ASN A 67 6.687 4.561 -5.813 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.629 6.119 -3.426 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.549 6.927 -4.979 1.00 0.20 H new ATOM 0 HD21 ASN A 67 4.129 5.856 -2.968 1.00 0.38 H new ATOM 0 HD22 ASN A 67 5.727 5.309 -2.451 1.00 0.38 H new ATOM 929 N SER A 68 9.738 4.109 -5.474 1.00 0.18 N ATOM 930 CA SER A 68 10.990 4.085 -6.184 1.00 0.22 C ATOM 931 C SER A 68 10.927 3.021 -7.273 1.00 0.22 C ATOM 932 O SER A 68 11.748 2.986 -8.188 1.00 0.24 O ATOM 933 CB SER A 68 12.146 3.825 -5.216 1.00 0.25 C ATOM 934 OG SER A 68 13.407 3.964 -5.852 1.00 0.85 O ATOM 0 H SER A 68 9.669 3.448 -4.700 1.00 0.18 H new ATOM 0 HA SER A 68 11.167 5.054 -6.652 1.00 0.22 H new ATOM 0 HB2 SER A 68 12.082 4.520 -4.379 1.00 0.25 H new ATOM 0 HB3 SER A 68 12.056 2.820 -4.803 1.00 0.25 H new ATOM 0 HG SER A 68 14.121 3.792 -5.203 1.00 0.85 H new ATOM 940 N ARG A 69 9.933 2.151 -7.152 1.00 0.20 N ATOM 941 CA ARG A 69 9.771 1.035 -8.065 1.00 0.22 C ATOM 942 C ARG A 69 8.507 1.202 -8.900 1.00 0.24 C ATOM 943 O ARG A 69 8.560 1.331 -10.121 1.00 0.27 O ATOM 944 CB ARG A 69 9.734 -0.287 -7.288 1.00 0.22 C ATOM 945 CG ARG A 69 8.918 -0.248 -6.010 1.00 0.29 C ATOM 946 CD ARG A 69 8.944 -1.585 -5.296 1.00 0.22 C ATOM 947 NE ARG A 69 10.305 -2.026 -4.993 1.00 0.84 N ATOM 948 CZ ARG A 69 10.740 -3.274 -5.165 1.00 0.99 C ATOM 949 NH1 ARG A 69 9.943 -4.192 -5.703 1.00 0.97 N ATOM 950 NH2 ARG A 69 11.979 -3.601 -4.815 1.00 1.70 N ATOM 0 H ARG A 69 9.222 2.201 -6.422 1.00 0.20 H new ATOM 0 HA ARG A 69 10.625 1.016 -8.742 1.00 0.22 H new ATOM 0 HB2 ARG A 69 9.330 -1.063 -7.938 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.756 -0.577 -7.042 1.00 0.22 H new ATOM 0 HG2 ARG A 69 9.309 0.526 -5.350 1.00 0.29 H new ATOM 0 HG3 ARG A 69 7.888 0.022 -6.242 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.374 -1.511 -4.370 1.00 0.22 H new ATOM 0 HD3 ARG A 69 8.451 -2.335 -5.915 1.00 0.22 H new ATOM 0 HE ARG A 69 10.962 -1.336 -4.628 1.00 0.84 H new ATOM 0 HH11 ARG A 69 8.995 -3.942 -5.986 1.00 0.97 H new ATOM 0 HH12 ARG A 69 10.279 -5.146 -5.833 1.00 0.97 H new ATOM 0 HH21 ARG A 69 12.598 -2.897 -4.414 1.00 1.70 H new ATOM 0 HH22 ARG A 69 12.311 -4.556 -4.947 1.00 1.70 H new ATOM 964 N THR A 70 7.386 1.236 -8.208 1.00 0.24 N ATOM 965 CA THR A 70 6.068 1.244 -8.830 1.00 0.26 C ATOM 966 C THR A 70 5.432 2.617 -8.804 1.00 0.25 C ATOM 967 O THR A 70 5.112 3.185 -9.848 1.00 0.29 O ATOM 968 CB THR A 70 5.141 0.316 -8.054 1.00 0.27 C ATOM 969 OG1 THR A 70 5.775 -0.949 -7.856 1.00 0.33 O ATOM 970 CG2 THR A 70 3.813 0.138 -8.767 1.00 0.31 C ATOM 0 H THR A 70 7.359 1.259 -7.189 1.00 0.24 H new ATOM 0 HA THR A 70 6.203 0.926 -9.864 1.00 0.26 H new ATOM 0 HB THR A 70 4.937 0.770 -7.084 1.00 0.27 H new ATOM 0 HG1 THR A 70 5.299 -1.448 -7.159 1.00 0.33 H new ATOM 0 HG21 THR A 70 3.175 -0.529 -8.187 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.324 1.106 -8.872 1.00 0.31 H new ATOM 0 HG23 THR A 70 3.985 -0.291 -9.754 1.00 0.31 H new ATOM 978 N LYS A 71 5.235 3.111 -7.582 1.00 0.24 N ATOM 979 CA LYS A 71 4.474 4.325 -7.319 1.00 0.27 C ATOM 980 C LYS A 71 2.991 4.057 -7.478 1.00 0.30 C ATOM 981 O LYS A 71 2.217 4.967 -7.779 1.00 0.52 O ATOM 982 CB LYS A 71 4.913 5.467 -8.213 1.00 0.32 C ATOM 983 CG LYS A 71 6.414 5.715 -8.177 1.00 0.35 C ATOM 984 CD LYS A 71 6.844 6.901 -9.022 1.00 0.46 C ATOM 985 CE LYS A 71 6.196 8.192 -8.540 1.00 0.93 C ATOM 986 NZ LYS A 71 6.574 9.356 -9.381 1.00 1.20 N ATOM 0 H LYS A 71 5.605 2.672 -6.739 1.00 0.24 H new ATOM 0 HA LYS A 71 4.670 4.627 -6.290 1.00 0.27 H new ATOM 0 HB2 LYS A 71 4.611 5.254 -9.238 1.00 0.32 H new ATOM 0 HB3 LYS A 71 4.394 6.377 -7.911 1.00 0.32 H new ATOM 0 HG2 LYS A 71 6.724 5.881 -7.145 1.00 0.35 H new ATOM 0 HG3 LYS A 71 6.932 4.822 -8.526 1.00 0.35 H new ATOM 0 HD2 LYS A 71 7.929 7.001 -8.986 1.00 0.46 H new ATOM 0 HD3 LYS A 71 6.575 6.724 -10.063 1.00 0.46 H new ATOM 0 HE2 LYS A 71 5.112 8.077 -8.547 1.00 0.93 H new ATOM 0 HE3 LYS A 71 6.490 8.381 -7.508 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 6.110 10.213 -9.017 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 7.606 9.483 -9.355 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 6.271 9.189 -10.362 1.00 1.20 H new ATOM 1000 N MET A 72 2.623 2.786 -7.258 1.00 0.31 N ATOM 1001 CA MET A 72 1.226 2.319 -7.188 1.00 0.32 C ATOM 1002 C MET A 72 0.340 2.837 -8.327 1.00 0.39 C ATOM 1003 O MET A 72 0.816 3.355 -9.336 1.00 0.72 O ATOM 1004 CB MET A 72 0.612 2.663 -5.817 1.00 0.35 C ATOM 1005 CG MET A 72 0.859 4.072 -5.358 1.00 0.40 C ATOM 1006 SD MET A 72 0.389 4.356 -3.642 1.00 1.11 S ATOM 1007 CE MET A 72 0.890 6.063 -3.443 1.00 1.20 C ATOM 0 H MET A 72 3.301 2.036 -7.121 1.00 0.31 H new ATOM 0 HA MET A 72 1.262 1.236 -7.310 1.00 0.32 H new ATOM 0 HB2 MET A 72 -0.464 2.493 -5.862 1.00 0.35 H new ATOM 0 HB3 MET A 72 1.013 1.976 -5.071 1.00 0.35 H new ATOM 0 HG2 MET A 72 1.916 4.307 -5.481 1.00 0.40 H new ATOM 0 HG3 MET A 72 0.303 4.758 -5.998 1.00 0.40 H new ATOM 0 HE1 MET A 72 0.162 6.586 -2.823 1.00 1.20 H new ATOM 0 HE2 MET A 72 1.868 6.102 -2.964 1.00 1.20 H new ATOM 0 HE3 MET A 72 0.946 6.542 -4.420 1.00 1.20 H new ATOM 1017 N ALA A 73 -0.953 2.617 -8.167 1.00 0.48 N ATOM 1018 CA ALA A 73 -1.957 3.086 -9.087 1.00 0.56 C ATOM 1019 C ALA A 73 -3.163 3.543 -8.294 1.00 0.61 C ATOM 1020 O ALA A 73 -4.233 2.941 -8.389 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.327 1.996 -10.079 1.00 0.67 C ATOM 0 H ALA A 73 -1.335 2.097 -7.377 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.569 3.925 -9.664 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.087 2.371 -10.765 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -1.442 1.702 -10.643 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -2.718 1.132 -9.541 1.00 0.67 H new ATOM 1027 N ASN A 74 -2.943 4.633 -7.538 1.00 0.64 N ATOM 1028 CA ASN A 74 -3.871 5.182 -6.531 1.00 0.74 C ATOM 1029 C ASN A 74 -5.267 4.564 -6.580 1.00 0.92 C ATOM 1030 O ASN A 74 -5.658 3.814 -5.690 1.00 1.68 O ATOM 1031 CB ASN A 74 -3.978 6.698 -6.706 1.00 0.89 C ATOM 1032 CG ASN A 74 -2.676 7.428 -6.426 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -2.379 8.443 -7.054 1.00 2.37 O ATOM 1034 ND2 ASN A 74 -1.898 6.934 -5.472 1.00 1.58 N ATOM 0 H ASN A 74 -2.083 5.176 -7.614 1.00 0.64 H new ATOM 0 HA ASN A 74 -3.454 4.930 -5.556 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -4.298 6.918 -7.725 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -4.751 7.080 -6.040 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -1.020 7.398 -5.238 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -2.177 6.090 -4.972 1.00 1.58 H new ATOM 1041 N ASP A 75 -6.016 4.885 -7.616 1.00 0.91 N ATOM 1042 CA ASP A 75 -7.338 4.306 -7.802 1.00 0.98 C ATOM 1043 C ASP A 75 -7.543 3.956 -9.269 1.00 0.96 C ATOM 1044 O ASP A 75 -8.673 3.867 -9.752 1.00 1.14 O ATOM 1045 CB ASP A 75 -8.419 5.285 -7.332 1.00 1.22 C ATOM 1046 CG ASP A 75 -8.427 6.578 -8.131 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -7.521 7.413 -7.929 1.00 2.38 O ATOM 1048 OD2 ASP A 75 -9.343 6.766 -8.958 1.00 2.37 O ATOM 0 H ASP A 75 -5.735 5.543 -8.343 1.00 0.91 H new ATOM 0 HA ASP A 75 -7.415 3.397 -7.206 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -9.396 4.807 -7.412 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -8.262 5.515 -6.278 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.440 3.741 -9.969 1.00 0.81 N ATOM 1054 CA TYR A 76 -6.478 3.519 -11.397 1.00 0.88 C ATOM 1055 C TYR A 76 -6.463 2.032 -11.712 1.00 0.93 C ATOM 1056 O TYR A 76 -5.398 1.402 -11.579 1.00 1.47 O ATOM 1057 CB TYR A 76 -5.298 4.225 -12.046 1.00 0.91 C ATOM 1058 CG TYR A 76 -5.282 5.707 -11.758 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -6.134 6.574 -12.428 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -4.397 6.242 -10.834 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -6.104 7.929 -12.185 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -4.364 7.596 -10.581 1.00 1.23 C ATOM 1063 CZ TYR A 76 -5.284 8.427 -11.198 1.00 1.45 C ATOM 1064 OH TYR A 76 -5.182 9.793 -11.017 1.00 1.70 O ATOM 0 H TYR A 76 -5.504 3.716 -9.564 1.00 0.81 H new ATOM 0 HA TYR A 76 -7.404 3.930 -11.800 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -4.370 3.779 -11.689 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -5.333 4.068 -13.124 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -6.832 6.179 -13.152 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -3.722 5.586 -10.304 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -6.721 8.598 -12.766 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -3.627 8.006 -9.907 1.00 1.23 H new ATOM 0 HH TYR A 76 -4.564 9.980 -10.280 1.00 1.70 H new TER 1074 TYR A 76