USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 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 67 ASN :FLIP amide:sc= -0.332 F(o=-1.7,f=-0.91) USER MOD Set 1.2: A 72 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 1.3: A 74 ASN :FLIP amide:sc= -0.576 F(o=-4.8!,f=-0.91) USER MOD Single : A 11 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.1 X(o=-3.1,f=-2.6!) USER MOD Single : A 31 ASN :FLIP amide:sc= 0.732 F(o=-1.5,f=0.73) USER MOD Single : A 33 SER OG : rot 100:sc= 0.942 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0685) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -139:sc= -0.83 (180deg=-1.31) USER MOD Single : A 48 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.26) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 77:sc= 0.934 USER MOD Single : A 68 SER OG : rot 80:sc= 1.29 USER MOD Single : A 70 THR OG1 : rot 165:sc= 1.68 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 -11.484 6.733 -3.991 1.00 1.46 N ATOM 2 CA GLY A 10 -10.433 5.863 -3.416 1.00 1.08 C ATOM 3 C GLY A 10 -10.999 4.555 -2.912 1.00 0.90 C ATOM 4 O GLY A 10 -11.988 4.056 -3.449 1.00 1.21 O ATOM 0 HA2 GLY A 10 -9.673 5.663 -4.172 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -9.938 6.384 -2.597 1.00 1.08 H new ATOM 8 N THR A 11 -10.384 3.994 -1.880 1.00 0.72 N ATOM 9 CA THR A 11 -10.867 2.766 -1.294 1.00 0.56 C ATOM 10 C THR A 11 -10.966 2.924 0.220 1.00 0.60 C ATOM 11 O THR A 11 -11.200 4.023 0.719 1.00 1.21 O ATOM 12 CB THR A 11 -9.955 1.577 -1.640 1.00 0.62 C ATOM 13 OG1 THR A 11 -9.194 1.858 -2.824 1.00 0.87 O ATOM 14 CG2 THR A 11 -10.782 0.321 -1.854 1.00 0.53 C ATOM 0 H THR A 11 -9.549 4.376 -1.436 1.00 0.72 H new ATOM 0 HA THR A 11 -11.854 2.559 -1.708 1.00 0.56 H new ATOM 0 HB THR A 11 -9.272 1.417 -0.806 1.00 0.62 H new ATOM 0 HG1 THR A 11 -8.740 1.042 -3.122 1.00 0.87 H new ATOM 0 HG21 THR A 11 -10.122 -0.512 -2.098 1.00 0.53 H new ATOM 0 HG22 THR A 11 -11.336 0.091 -0.944 1.00 0.53 H new ATOM 0 HG23 THR A 11 -11.482 0.482 -2.674 1.00 0.53 H new ATOM 22 N TYR A 12 -10.761 1.836 0.943 1.00 0.44 N ATOM 23 CA TYR A 12 -11.073 1.786 2.368 1.00 0.37 C ATOM 24 C TYR A 12 -10.073 0.929 3.114 1.00 0.37 C ATOM 25 O TYR A 12 -8.951 0.704 2.660 1.00 0.41 O ATOM 26 CB TYR A 12 -12.440 1.148 2.579 1.00 0.41 C ATOM 27 CG TYR A 12 -13.407 1.341 1.445 1.00 0.47 C ATOM 28 CD1 TYR A 12 -14.043 2.553 1.238 1.00 0.56 C ATOM 29 CD2 TYR A 12 -13.665 0.302 0.572 1.00 0.57 C ATOM 30 CE1 TYR A 12 -14.915 2.721 0.187 1.00 0.64 C ATOM 31 CE2 TYR A 12 -14.529 0.460 -0.478 1.00 0.67 C ATOM 32 CZ TYR A 12 -15.156 1.671 -0.672 1.00 0.66 C ATOM 33 OH TYR A 12 -16.024 1.835 -1.726 1.00 0.79 O ATOM 0 H TYR A 12 -10.378 0.969 0.567 1.00 0.44 H new ATOM 0 HA TYR A 12 -11.048 2.810 2.740 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.305 0.079 2.745 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -12.881 1.558 3.488 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -13.852 3.377 1.910 1.00 0.56 H new ATOM 0 HD2 TYR A 12 -13.177 -0.650 0.720 1.00 0.57 H new ATOM 0 HE1 TYR A 12 -15.408 3.670 0.036 1.00 0.64 H new ATOM 0 HE2 TYR A 12 -14.718 -0.362 -1.152 1.00 0.67 H new ATOM 0 HH TYR A 12 -16.082 1.000 -2.235 1.00 0.79 H new ATOM 43 N ARG A 13 -10.532 0.441 4.257 1.00 0.38 N ATOM 44 CA ARG A 13 -9.827 -0.531 5.056 1.00 0.40 C ATOM 45 C ARG A 13 -10.805 -1.109 6.066 1.00 0.54 C ATOM 46 O ARG A 13 -11.703 -0.403 6.525 1.00 0.76 O ATOM 47 CB ARG A 13 -8.645 0.104 5.780 1.00 0.49 C ATOM 48 CG ARG A 13 -7.936 -0.866 6.706 1.00 0.61 C ATOM 49 CD ARG A 13 -6.954 -0.167 7.615 1.00 0.36 C ATOM 50 NE ARG A 13 -7.626 0.685 8.599 1.00 0.97 N ATOM 51 CZ ARG A 13 -7.342 0.697 9.902 1.00 0.99 C ATOM 52 NH1 ARG A 13 -6.399 -0.098 10.390 1.00 1.29 N ATOM 53 NH2 ARG A 13 -8.008 1.501 10.723 1.00 1.67 N ATOM 0 H ARG A 13 -11.427 0.721 4.658 1.00 0.38 H new ATOM 0 HA ARG A 13 -9.433 -1.315 4.410 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -7.935 0.483 5.045 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -8.995 0.960 6.356 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -8.673 -1.396 7.309 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.411 -1.615 6.113 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -6.348 -0.910 8.133 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -6.274 0.438 7.016 1.00 0.36 H new ATOM 0 HE ARG A 13 -8.360 1.310 8.266 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -5.887 -0.723 9.768 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -6.186 -0.084 11.387 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -8.739 2.111 10.357 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -7.789 1.508 11.719 1.00 1.67 H new ATOM 67 N GLY A 14 -10.656 -2.381 6.397 1.00 0.54 N ATOM 68 CA GLY A 14 -11.533 -2.971 7.393 1.00 0.68 C ATOM 69 C GLY A 14 -12.894 -3.354 6.858 1.00 0.77 C ATOM 70 O GLY A 14 -13.914 -2.883 7.365 1.00 1.39 O ATOM 0 H GLY A 14 -9.956 -3.010 6.003 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -11.053 -3.858 7.807 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -11.661 -2.266 8.214 1.00 0.68 H new ATOM 74 N ARG A 15 -12.923 -4.213 5.848 1.00 0.70 N ATOM 75 CA ARG A 15 -14.182 -4.600 5.217 1.00 0.80 C ATOM 76 C ARG A 15 -13.950 -5.601 4.104 1.00 0.91 C ATOM 77 O ARG A 15 -14.676 -5.617 3.108 1.00 1.43 O ATOM 78 CB ARG A 15 -14.894 -3.361 4.668 1.00 0.84 C ATOM 79 CG ARG A 15 -14.012 -2.504 3.779 1.00 0.83 C ATOM 80 CD ARG A 15 -14.568 -1.108 3.635 1.00 0.65 C ATOM 81 NE ARG A 15 -15.947 -1.105 3.148 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.749 -0.040 3.179 1.00 1.18 C ATOM 83 NH1 ARG A 15 -16.341 1.094 3.738 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.966 -0.115 2.659 1.00 1.29 N ATOM 0 H ARG A 15 -12.095 -4.654 5.448 1.00 0.70 H new ATOM 0 HA ARG A 15 -14.810 -5.072 5.972 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -15.771 -3.676 4.102 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -15.252 -2.758 5.502 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -13.007 -2.456 4.198 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -13.925 -2.966 2.796 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -14.525 -0.601 4.599 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -13.942 -0.539 2.948 1.00 0.65 H new ATOM 0 HE ARG A 15 -16.319 -1.972 2.760 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -15.409 1.154 4.147 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -16.960 1.904 3.758 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -18.287 -0.986 2.236 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -18.581 0.698 2.682 1.00 1.29 H new ATOM 98 N GLY A 16 -12.948 -6.451 4.281 1.00 0.78 N ATOM 99 CA GLY A 16 -12.546 -7.333 3.209 1.00 0.88 C ATOM 100 C GLY A 16 -12.116 -6.527 2.010 1.00 0.76 C ATOM 101 O GLY A 16 -12.303 -6.942 0.867 1.00 1.05 O ATOM 0 H GLY A 16 -12.410 -6.544 5.143 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -11.727 -7.972 3.541 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -13.373 -7.990 2.938 1.00 0.88 H new ATOM 105 N VAL A 17 -11.569 -5.345 2.307 1.00 0.43 N ATOM 106 CA VAL A 17 -11.148 -4.381 1.290 1.00 0.29 C ATOM 107 C VAL A 17 -10.459 -5.027 0.118 1.00 0.25 C ATOM 108 O VAL A 17 -9.512 -5.797 0.272 1.00 0.33 O ATOM 109 CB VAL A 17 -10.218 -3.290 1.854 1.00 0.23 C ATOM 110 CG1 VAL A 17 -11.006 -2.022 2.066 1.00 0.27 C ATOM 111 CG2 VAL A 17 -9.552 -3.760 3.141 1.00 0.26 C ATOM 0 H VAL A 17 -11.406 -5.030 3.263 1.00 0.43 H new ATOM 0 HA VAL A 17 -12.078 -3.925 0.950 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.421 -3.087 1.138 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.350 -1.248 2.465 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.423 -1.689 1.115 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.816 -2.210 2.771 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.900 -2.974 3.521 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -10.316 -3.989 3.884 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -8.963 -4.655 2.940 1.00 0.26 H new ATOM 121 N ALA A 18 -10.952 -4.692 -1.051 1.00 0.25 N ATOM 122 CA ALA A 18 -10.384 -5.177 -2.283 1.00 0.27 C ATOM 123 C ALA A 18 -9.350 -4.195 -2.783 1.00 0.23 C ATOM 124 O ALA A 18 -8.556 -4.521 -3.669 1.00 0.25 O ATOM 125 CB ALA A 18 -11.466 -5.399 -3.327 1.00 0.35 C ATOM 0 H ALA A 18 -11.756 -4.077 -1.173 1.00 0.25 H new ATOM 0 HA ALA A 18 -9.902 -6.137 -2.097 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -11.013 -5.765 -4.248 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -12.182 -6.133 -2.958 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -11.980 -4.458 -3.524 1.00 0.35 H new ATOM 131 N LEU A 19 -9.372 -2.981 -2.202 1.00 0.21 N ATOM 132 CA LEU A 19 -8.400 -1.954 -2.540 1.00 0.20 C ATOM 133 C LEU A 19 -8.551 -1.637 -4.042 1.00 0.25 C ATOM 134 O LEU A 19 -9.524 -2.076 -4.658 1.00 0.49 O ATOM 135 CB LEU A 19 -7.039 -2.523 -2.127 1.00 0.20 C ATOM 136 CG LEU A 19 -5.799 -1.646 -2.160 1.00 0.28 C ATOM 137 CD1 LEU A 19 -5.150 -1.658 -3.498 1.00 0.99 C ATOM 138 CD2 LEU A 19 -6.088 -0.232 -1.721 1.00 1.14 C ATOM 0 H LEU A 19 -10.055 -2.699 -1.499 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.533 -1.002 -2.025 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.142 -2.898 -1.109 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -6.842 -3.384 -2.766 1.00 0.20 H new ATOM 0 HG LEU A 19 -5.100 -2.076 -1.442 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -4.267 -1.019 -3.480 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -4.855 -2.677 -3.750 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -5.851 -1.287 -4.246 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -5.171 0.356 -1.761 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -6.832 0.210 -2.384 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -6.470 -0.239 -0.700 1.00 1.14 H new ATOM 150 N THR A 20 -7.680 -0.844 -4.632 1.00 0.37 N ATOM 151 CA THR A 20 -7.648 -0.779 -6.078 1.00 0.37 C ATOM 152 C THR A 20 -7.082 -2.097 -6.623 1.00 0.35 C ATOM 153 O THR A 20 -6.467 -2.870 -5.885 1.00 0.44 O ATOM 154 CB THR A 20 -6.869 0.450 -6.617 1.00 0.48 C ATOM 155 OG1 THR A 20 -6.690 0.360 -8.036 1.00 0.88 O ATOM 156 CG2 THR A 20 -5.519 0.600 -5.941 1.00 0.45 C ATOM 0 H THR A 20 -7.004 -0.252 -4.150 1.00 0.37 H new ATOM 0 HA THR A 20 -8.669 -0.644 -6.434 1.00 0.37 H new ATOM 0 HB THR A 20 -7.467 1.332 -6.387 1.00 0.48 H new ATOM 0 HG1 THR A 20 -6.198 1.146 -8.354 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.004 1.472 -6.346 1.00 0.45 H new ATOM 0 HG22 THR A 20 -5.662 0.728 -4.868 1.00 0.45 H new ATOM 0 HG23 THR A 20 -4.920 -0.292 -6.123 1.00 0.45 H new ATOM 164 N ASP A 21 -7.301 -2.355 -7.900 1.00 0.35 N ATOM 165 CA ASP A 21 -7.035 -3.675 -8.478 1.00 0.37 C ATOM 166 C ASP A 21 -5.583 -4.123 -8.311 1.00 0.32 C ATOM 167 O ASP A 21 -5.315 -5.165 -7.708 1.00 0.37 O ATOM 168 CB ASP A 21 -7.407 -3.683 -9.961 1.00 0.44 C ATOM 169 CG ASP A 21 -7.029 -4.978 -10.652 1.00 1.28 C ATOM 170 OD1 ASP A 21 -7.782 -5.971 -10.519 1.00 1.65 O ATOM 171 OD2 ASP A 21 -5.966 -5.015 -11.313 1.00 2.15 O ATOM 0 H ASP A 21 -7.663 -1.671 -8.564 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.654 -4.385 -7.929 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -8.480 -3.521 -10.063 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -6.910 -2.851 -10.460 1.00 0.44 H new ATOM 176 N ASP A 22 -4.658 -3.329 -8.822 1.00 0.29 N ATOM 177 CA ASP A 22 -3.256 -3.735 -8.901 1.00 0.28 C ATOM 178 C ASP A 22 -2.603 -3.799 -7.519 1.00 0.22 C ATOM 179 O ASP A 22 -2.104 -4.846 -7.109 1.00 0.22 O ATOM 180 CB ASP A 22 -2.496 -2.765 -9.800 1.00 0.38 C ATOM 181 CG ASP A 22 -1.127 -3.273 -10.203 1.00 1.06 C ATOM 182 OD1 ASP A 22 -1.049 -4.360 -10.809 1.00 1.01 O ATOM 183 OD2 ASP A 22 -0.128 -2.564 -9.962 1.00 2.05 O ATOM 0 H ASP A 22 -4.848 -2.397 -9.190 1.00 0.29 H new ATOM 0 HA ASP A 22 -3.217 -4.739 -9.325 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -3.084 -2.575 -10.698 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -2.385 -1.812 -9.283 1.00 0.38 H new ATOM 188 N GLU A 23 -2.629 -2.669 -6.823 1.00 0.23 N ATOM 189 CA GLU A 23 -1.978 -2.513 -5.516 1.00 0.24 C ATOM 190 C GLU A 23 -2.252 -3.658 -4.545 1.00 0.17 C ATOM 191 O GLU A 23 -1.377 -4.042 -3.782 1.00 0.17 O ATOM 192 CB GLU A 23 -2.423 -1.230 -4.875 1.00 0.34 C ATOM 193 CG GLU A 23 -2.135 -0.031 -5.735 1.00 0.60 C ATOM 194 CD GLU A 23 -0.701 0.416 -5.642 1.00 1.17 C ATOM 195 OE1 GLU A 23 -0.338 1.089 -4.661 1.00 1.66 O ATOM 196 OE2 GLU A 23 0.075 0.060 -6.551 1.00 2.01 O ATOM 0 H GLU A 23 -3.104 -1.826 -7.146 1.00 0.23 H new ATOM 0 HA GLU A 23 -0.907 -2.511 -5.718 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -3.493 -1.280 -4.672 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -1.922 -1.114 -3.914 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -2.372 -0.267 -6.772 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -2.788 0.790 -5.438 1.00 0.60 H new ATOM 203 N TYR A 24 -3.472 -4.176 -4.545 1.00 0.13 N ATOM 204 CA TYR A 24 -3.843 -5.255 -3.638 1.00 0.12 C ATOM 205 C TYR A 24 -2.977 -6.496 -3.897 1.00 0.12 C ATOM 206 O TYR A 24 -2.280 -6.984 -3.007 1.00 0.14 O ATOM 207 CB TYR A 24 -5.335 -5.552 -3.829 1.00 0.12 C ATOM 208 CG TYR A 24 -5.905 -6.635 -2.929 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.749 -7.975 -3.265 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.621 -6.330 -1.763 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.271 -8.980 -2.480 1.00 0.17 C ATOM 212 CE2 TYR A 24 -7.151 -7.339 -0.977 1.00 0.14 C ATOM 213 CZ TYR A 24 -6.971 -8.659 -1.340 1.00 0.15 C ATOM 214 OH TYR A 24 -7.504 -9.663 -0.564 1.00 0.22 O ATOM 0 H TYR A 24 -4.223 -3.867 -5.163 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.668 -4.959 -2.604 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -5.895 -4.632 -3.662 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.500 -5.842 -4.867 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.206 -8.234 -4.162 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.760 -5.298 -1.475 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -6.131 -10.014 -2.758 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.704 -7.094 -0.082 1.00 0.14 H new ATOM 0 HH TYR A 24 -7.967 -9.271 0.206 1.00 0.22 H new ATOM 224 N ASP A 25 -3.045 -7.004 -5.120 1.00 0.14 N ATOM 225 CA ASP A 25 -2.146 -8.076 -5.559 1.00 0.18 C ATOM 226 C ASP A 25 -0.688 -7.704 -5.280 1.00 0.16 C ATOM 227 O ASP A 25 0.110 -8.530 -4.828 1.00 0.17 O ATOM 228 CB ASP A 25 -2.325 -8.367 -7.048 1.00 0.25 C ATOM 229 CG ASP A 25 -1.643 -9.656 -7.464 1.00 1.04 C ATOM 230 OD1 ASP A 25 -2.238 -10.738 -7.301 1.00 1.80 O ATOM 231 OD2 ASP A 25 -0.500 -9.593 -7.959 1.00 1.58 O ATOM 0 H ASP A 25 -3.710 -6.695 -5.829 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.401 -8.973 -4.995 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -3.388 -8.429 -7.279 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -1.920 -7.539 -7.630 1.00 0.25 H new ATOM 236 N GLU A 26 -0.364 -6.447 -5.528 1.00 0.15 N ATOM 237 CA GLU A 26 0.980 -5.933 -5.311 1.00 0.15 C ATOM 238 C GLU A 26 1.345 -5.885 -3.824 1.00 0.12 C ATOM 239 O GLU A 26 2.521 -5.855 -3.478 1.00 0.12 O ATOM 240 CB GLU A 26 1.106 -4.546 -5.925 1.00 0.22 C ATOM 241 CG GLU A 26 1.009 -4.540 -7.443 1.00 0.50 C ATOM 242 CD GLU A 26 2.098 -5.358 -8.106 1.00 0.65 C ATOM 243 OE1 GLU A 26 1.911 -6.579 -8.284 1.00 1.27 O ATOM 244 OE2 GLU A 26 3.142 -4.779 -8.476 1.00 0.59 O ATOM 0 H GLU A 26 -1.022 -5.754 -5.885 1.00 0.15 H new ATOM 0 HA GLU A 26 1.678 -6.616 -5.795 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.324 -3.905 -5.517 1.00 0.22 H new ATOM 0 HB3 GLU A 26 2.061 -4.112 -5.629 1.00 0.22 H new ATOM 0 HG2 GLU A 26 0.036 -4.930 -7.741 1.00 0.50 H new ATOM 0 HG3 GLU A 26 1.064 -3.512 -7.802 1.00 0.50 H new ATOM 251 N TRP A 27 0.342 -5.866 -2.952 1.00 0.11 N ATOM 252 CA TRP A 27 0.570 -5.949 -1.512 1.00 0.10 C ATOM 253 C TRP A 27 1.178 -7.290 -1.170 1.00 0.10 C ATOM 254 O TRP A 27 2.055 -7.387 -0.311 1.00 0.11 O ATOM 255 CB TRP A 27 -0.739 -5.733 -0.743 1.00 0.10 C ATOM 256 CG TRP A 27 -0.904 -6.576 0.496 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.314 -6.405 1.727 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.748 -7.726 0.618 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.759 -7.371 2.593 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.635 -8.190 1.937 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.591 -8.409 -0.263 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.338 -9.292 2.397 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.287 -9.509 0.196 1.00 0.16 C ATOM 264 CH2 TRP A 27 -3.158 -9.940 1.518 1.00 0.16 C ATOM 0 H TRP A 27 -0.640 -5.794 -3.218 1.00 0.11 H new ATOM 0 HA TRP A 27 1.264 -5.162 -1.217 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -0.806 -4.683 -0.460 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.573 -5.936 -1.414 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.393 -5.627 1.974 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.481 -7.463 3.570 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.696 -8.081 -1.287 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -2.240 -9.628 3.419 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.941 -10.044 -0.477 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.717 -10.802 1.851 1.00 0.16 H new ATOM 275 N ARG A 28 0.719 -8.315 -1.864 1.00 0.12 N ATOM 276 CA ARG A 28 1.268 -9.646 -1.696 1.00 0.13 C ATOM 277 C ARG A 28 2.757 -9.633 -2.058 1.00 0.13 C ATOM 278 O ARG A 28 3.579 -10.314 -1.431 1.00 0.15 O ATOM 279 CB ARG A 28 0.482 -10.646 -2.553 1.00 0.16 C ATOM 280 CG ARG A 28 -1.024 -10.562 -2.332 1.00 0.19 C ATOM 281 CD ARG A 28 -1.755 -11.805 -2.819 1.00 0.53 C ATOM 282 NE ARG A 28 -1.722 -11.948 -4.276 1.00 1.32 N ATOM 283 CZ ARG A 28 -1.963 -13.094 -4.913 1.00 1.90 C ATOM 284 NH1 ARG A 28 -2.178 -14.210 -4.226 1.00 1.88 N ATOM 285 NH2 ARG A 28 -1.996 -13.121 -6.239 1.00 2.63 N ATOM 0 H ARG A 28 -0.033 -8.250 -2.550 1.00 0.12 H new ATOM 0 HA ARG A 28 1.176 -9.960 -0.656 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.700 -10.465 -3.605 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.822 -11.657 -2.326 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.225 -10.419 -1.270 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.416 -9.687 -2.851 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -1.307 -12.687 -2.362 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -2.792 -11.765 -2.486 1.00 0.53 H new ATOM 0 HE ARG A 28 -1.502 -11.124 -4.835 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -2.159 -14.193 -3.206 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -2.362 -15.084 -4.718 1.00 1.88 H new ATOM 0 HH21 ARG A 28 -1.837 -12.265 -6.771 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -2.180 -13.998 -6.727 1.00 2.63 H new ATOM 299 N GLU A 29 3.110 -8.822 -3.052 1.00 0.13 N ATOM 300 CA GLU A 29 4.514 -8.611 -3.397 1.00 0.14 C ATOM 301 C GLU A 29 5.198 -7.717 -2.358 1.00 0.12 C ATOM 302 O GLU A 29 6.370 -7.905 -2.047 1.00 0.13 O ATOM 303 CB GLU A 29 4.654 -7.994 -4.791 1.00 0.17 C ATOM 304 CG GLU A 29 6.100 -7.863 -5.245 1.00 0.22 C ATOM 305 CD GLU A 29 6.225 -7.413 -6.684 1.00 0.62 C ATOM 306 OE1 GLU A 29 5.848 -8.186 -7.587 1.00 0.84 O ATOM 307 OE2 GLU A 29 6.689 -6.276 -6.922 1.00 0.97 O ATOM 0 H GLU A 29 2.449 -8.303 -3.630 1.00 0.13 H new ATOM 0 HA GLU A 29 5.003 -9.585 -3.401 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.108 -8.606 -5.509 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.188 -7.009 -4.794 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.615 -7.151 -4.600 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.602 -8.823 -5.125 1.00 0.22 H new ATOM 314 N HIS A 30 4.465 -6.729 -1.851 1.00 0.12 N ATOM 315 CA HIS A 30 4.943 -5.883 -0.753 1.00 0.11 C ATOM 316 C HIS A 30 5.408 -6.742 0.419 1.00 0.12 C ATOM 317 O HIS A 30 6.422 -6.435 1.048 1.00 0.13 O ATOM 318 CB HIS A 30 3.844 -4.903 -0.303 1.00 0.11 C ATOM 319 CG HIS A 30 4.175 -4.091 0.923 1.00 0.11 C ATOM 320 ND1 HIS A 30 3.252 -3.808 1.911 1.00 0.11 N ATOM 321 CD2 HIS A 30 5.317 -3.470 1.300 1.00 0.14 C ATOM 322 CE1 HIS A 30 3.816 -3.045 2.834 1.00 0.11 C ATOM 323 NE2 HIS A 30 5.067 -2.828 2.487 1.00 0.13 N ATOM 0 H HIS A 30 3.531 -6.491 -2.184 1.00 0.12 H new ATOM 0 HA HIS A 30 5.792 -5.301 -1.113 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.629 -4.220 -1.125 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.932 -5.468 -0.111 1.00 0.11 H new ATOM 0 HD2 HIS A 30 6.255 -3.478 0.764 1.00 0.14 H new ATOM 0 HE1 HIS A 30 3.332 -2.665 3.721 1.00 0.11 H new ATOM 0 HE2 HIS A 30 5.741 -2.273 3.014 1.00 0.13 H new ATOM 332 N ASN A 31 4.662 -7.808 0.700 1.00 0.14 N ATOM 333 CA ASN A 31 5.059 -8.788 1.707 1.00 0.17 C ATOM 334 C ASN A 31 6.463 -9.290 1.413 1.00 0.16 C ATOM 335 O ASN A 31 7.341 -9.271 2.277 1.00 0.18 O ATOM 336 CB ASN A 31 4.093 -9.977 1.727 1.00 0.23 C ATOM 337 CG ASN A 31 2.811 -9.702 2.489 1.00 0.88 C ATOM 338 OD1 ASN A 31 2.758 -10.136 3.739 1.00 1.78 O flip ATOM 339 ND2 ASN A 31 1.862 -9.143 1.949 1.00 1.54 N flip ATOM 0 H ASN A 31 3.775 -8.015 0.241 1.00 0.14 H new ATOM 0 HA ASN A 31 5.035 -8.300 2.682 1.00 0.17 H new ATOM 0 HB2 ASN A 31 3.845 -10.251 0.701 1.00 0.23 H new ATOM 0 HB3 ASN A 31 4.595 -10.835 2.174 1.00 0.23 H new ATOM 0 HD21 ASN A 31 1.941 -8.822 0.984 1.00 1.54 H new ATOM 0 HD22 ASN A 31 0.994 -8.999 2.465 1.00 1.54 H new ATOM 346 N ALA A 32 6.663 -9.708 0.171 1.00 0.17 N ATOM 347 CA ALA A 32 7.945 -10.238 -0.269 1.00 0.18 C ATOM 348 C ALA A 32 9.040 -9.175 -0.282 1.00 0.16 C ATOM 349 O ALA A 32 10.044 -9.298 0.416 1.00 0.19 O ATOM 350 CB ALA A 32 7.804 -10.831 -1.656 1.00 0.19 C ATOM 0 H ALA A 32 5.947 -9.690 -0.555 1.00 0.17 H new ATOM 0 HA ALA A 32 8.240 -11.007 0.445 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.766 -11.227 -1.982 1.00 0.19 H new ATOM 0 HB2 ALA A 32 7.069 -11.636 -1.635 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.476 -10.058 -2.351 1.00 0.19 H new ATOM 356 N SER A 33 8.838 -8.131 -1.082 1.00 0.13 N ATOM 357 CA SER A 33 9.880 -7.143 -1.348 1.00 0.14 C ATOM 358 C SER A 33 10.366 -6.438 -0.080 1.00 0.18 C ATOM 359 O SER A 33 11.561 -6.188 0.070 1.00 0.27 O ATOM 360 CB SER A 33 9.393 -6.115 -2.378 1.00 0.13 C ATOM 361 OG SER A 33 10.427 -5.214 -2.731 1.00 0.17 O ATOM 0 H SER A 33 7.956 -7.947 -1.560 1.00 0.13 H new ATOM 0 HA SER A 33 10.733 -7.686 -1.754 1.00 0.14 H new ATOM 0 HB2 SER A 33 9.036 -6.631 -3.270 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.547 -5.561 -1.971 1.00 0.13 H new ATOM 0 HG SER A 33 10.820 -5.486 -3.586 1.00 0.17 H new ATOM 367 N ARG A 34 9.461 -6.131 0.837 1.00 0.19 N ATOM 368 CA ARG A 34 9.855 -5.435 2.056 1.00 0.23 C ATOM 369 C ARG A 34 10.191 -6.410 3.171 1.00 0.26 C ATOM 370 O ARG A 34 10.476 -6.004 4.298 1.00 0.31 O ATOM 371 CB ARG A 34 8.781 -4.452 2.499 1.00 0.22 C ATOM 372 CG ARG A 34 8.722 -3.200 1.639 1.00 0.23 C ATOM 373 CD ARG A 34 10.053 -2.458 1.619 1.00 0.27 C ATOM 374 NE ARG A 34 10.574 -2.203 2.964 1.00 0.34 N ATOM 375 CZ ARG A 34 11.229 -1.093 3.315 1.00 0.71 C ATOM 376 NH1 ARG A 34 11.424 -0.121 2.433 1.00 1.04 N ATOM 377 NH2 ARG A 34 11.688 -0.959 4.551 1.00 0.86 N ATOM 0 H ARG A 34 8.467 -6.347 0.765 1.00 0.19 H new ATOM 0 HA ARG A 34 10.758 -4.868 1.830 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.811 -4.948 2.473 1.00 0.22 H new ATOM 0 HB3 ARG A 34 8.965 -4.165 3.534 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.443 -3.472 0.621 1.00 0.23 H new ATOM 0 HG3 ARG A 34 7.943 -2.537 2.016 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.782 -3.041 1.055 1.00 0.27 H new ATOM 0 HD3 ARG A 34 9.929 -1.510 1.095 1.00 0.27 H new ATOM 0 HE ARG A 34 10.428 -2.918 3.677 1.00 0.34 H new ATOM 0 HH11 ARG A 34 11.073 -0.219 1.480 1.00 1.04 H new ATOM 0 HH12 ARG A 34 11.925 0.724 2.708 1.00 1.04 H new ATOM 0 HH21 ARG A 34 11.541 -1.703 5.233 1.00 0.86 H new ATOM 0 HH22 ARG A 34 12.188 -0.112 4.820 1.00 0.86 H new ATOM 391 N LYS A 35 10.155 -7.698 2.828 1.00 0.26 N ATOM 392 CA LYS A 35 10.553 -8.773 3.728 1.00 0.30 C ATOM 393 C LYS A 35 9.797 -8.714 5.046 1.00 0.34 C ATOM 394 O LYS A 35 10.370 -8.928 6.116 1.00 0.58 O ATOM 395 CB LYS A 35 12.056 -8.730 3.970 1.00 0.33 C ATOM 396 CG LYS A 35 12.858 -8.917 2.699 1.00 0.54 C ATOM 397 CD LYS A 35 12.715 -10.321 2.138 1.00 1.10 C ATOM 398 CE LYS A 35 13.429 -10.463 0.805 1.00 0.95 C ATOM 399 NZ LYS A 35 14.897 -10.271 0.935 1.00 1.27 N ATOM 0 H LYS A 35 9.847 -8.023 1.912 1.00 0.26 H new ATOM 0 HA LYS A 35 10.299 -9.718 3.249 1.00 0.30 H new ATOM 0 HB2 LYS A 35 12.320 -7.775 4.424 1.00 0.33 H new ATOM 0 HB3 LYS A 35 12.327 -9.508 4.684 1.00 0.33 H new ATOM 0 HG2 LYS A 35 12.529 -8.193 1.953 1.00 0.54 H new ATOM 0 HG3 LYS A 35 13.910 -8.712 2.900 1.00 0.54 H new ATOM 0 HD2 LYS A 35 13.122 -11.041 2.848 1.00 1.10 H new ATOM 0 HD3 LYS A 35 11.658 -10.558 2.013 1.00 1.10 H new ATOM 0 HE2 LYS A 35 13.228 -11.451 0.390 1.00 0.95 H new ATOM 0 HE3 LYS A 35 13.029 -9.734 0.100 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 15.359 -10.509 0.034 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 15.097 -9.279 1.176 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 15.263 -10.891 1.686 1.00 1.27 H new ATOM 413 N LEU A 36 8.505 -8.444 4.959 1.00 0.26 N ATOM 414 CA LEU A 36 7.662 -8.292 6.126 1.00 0.31 C ATOM 415 C LEU A 36 6.430 -9.159 5.966 1.00 0.34 C ATOM 416 O LEU A 36 6.295 -9.894 4.987 1.00 0.36 O ATOM 417 CB LEU A 36 7.255 -6.817 6.319 1.00 0.32 C ATOM 418 CG LEU A 36 7.087 -5.994 5.041 1.00 0.26 C ATOM 419 CD1 LEU A 36 6.010 -6.586 4.160 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.751 -4.556 5.375 1.00 0.30 C ATOM 0 H LEU A 36 8.013 -8.324 4.073 1.00 0.26 H new ATOM 0 HA LEU A 36 8.218 -8.606 7.010 1.00 0.31 H new ATOM 0 HB2 LEU A 36 6.316 -6.789 6.871 1.00 0.32 H new ATOM 0 HB3 LEU A 36 8.006 -6.332 6.943 1.00 0.32 H new ATOM 0 HG LEU A 36 8.032 -6.017 4.498 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.908 -5.985 3.257 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.282 -7.606 3.888 1.00 0.26 H new ATOM 0 HD13 LEU A 36 5.063 -6.595 4.699 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.635 -3.986 4.453 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.821 -4.522 5.942 1.00 0.30 H new ATOM 0 HD23 LEU A 36 7.555 -4.123 5.971 1.00 0.30 H new ATOM 432 N ASP A 37 5.531 -9.057 6.912 1.00 0.41 N ATOM 433 CA ASP A 37 4.290 -9.800 6.871 1.00 0.47 C ATOM 434 C ASP A 37 3.174 -8.925 7.387 1.00 0.51 C ATOM 435 O ASP A 37 3.080 -8.656 8.584 1.00 1.00 O ATOM 436 CB ASP A 37 4.380 -11.082 7.703 1.00 0.54 C ATOM 437 CG ASP A 37 3.092 -11.885 7.659 1.00 0.68 C ATOM 438 OD1 ASP A 37 2.924 -12.701 6.728 1.00 0.73 O ATOM 439 OD2 ASP A 37 2.238 -11.702 8.550 1.00 0.85 O ATOM 0 H ASP A 37 5.635 -8.459 7.732 1.00 0.41 H new ATOM 0 HA ASP A 37 4.090 -10.089 5.839 1.00 0.47 H new ATOM 0 HB2 ASP A 37 5.202 -11.696 7.334 1.00 0.54 H new ATOM 0 HB3 ASP A 37 4.612 -10.827 8.737 1.00 0.54 H new ATOM 444 N LEU A 38 2.355 -8.450 6.480 1.00 0.26 N ATOM 445 CA LEU A 38 1.264 -7.576 6.836 1.00 0.26 C ATOM 446 C LEU A 38 0.021 -7.984 6.104 1.00 0.26 C ATOM 447 O LEU A 38 0.081 -8.604 5.041 1.00 0.32 O ATOM 448 CB LEU A 38 1.589 -6.123 6.506 1.00 0.32 C ATOM 449 CG LEU A 38 1.450 -5.722 5.068 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.640 -4.228 4.958 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.450 -6.448 4.182 1.00 0.34 C ATOM 0 H LEU A 38 2.425 -8.656 5.483 1.00 0.26 H new ATOM 0 HA LEU A 38 1.106 -7.660 7.911 1.00 0.26 H new ATOM 0 HB2 LEU A 38 0.940 -5.483 7.104 1.00 0.32 H new ATOM 0 HB3 LEU A 38 2.613 -5.922 6.820 1.00 0.32 H new ATOM 0 HG LEU A 38 0.454 -6.000 4.723 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.541 -3.924 3.916 1.00 0.26 H new ATOM 0 HD12 LEU A 38 0.884 -3.720 5.557 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.632 -3.960 5.321 1.00 0.26 H new ATOM 0 HD21 LEU A 38 2.317 -6.130 3.148 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.463 -6.211 4.507 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.287 -7.523 4.255 1.00 0.34 H new ATOM 463 N SER A 39 -1.095 -7.631 6.675 1.00 0.22 N ATOM 464 CA SER A 39 -2.362 -7.879 6.041 1.00 0.21 C ATOM 465 C SER A 39 -2.727 -6.694 5.171 1.00 0.17 C ATOM 466 O SER A 39 -2.094 -5.639 5.269 1.00 0.25 O ATOM 467 CB SER A 39 -3.436 -8.157 7.085 1.00 0.29 C ATOM 468 OG SER A 39 -3.057 -9.246 7.910 1.00 0.64 O ATOM 0 H SER A 39 -1.155 -7.169 7.582 1.00 0.22 H new ATOM 0 HA SER A 39 -2.287 -8.764 5.409 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.596 -7.269 7.696 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.382 -8.379 6.592 1.00 0.29 H new ATOM 0 HG SER A 39 -3.757 -9.411 8.576 1.00 0.64 H new ATOM 474 N VAL A 40 -3.725 -6.855 4.325 1.00 0.18 N ATOM 475 CA VAL A 40 -4.000 -5.863 3.311 1.00 0.15 C ATOM 476 C VAL A 40 -4.335 -4.524 3.942 1.00 0.15 C ATOM 477 O VAL A 40 -3.816 -3.502 3.518 1.00 0.13 O ATOM 478 CB VAL A 40 -5.120 -6.334 2.352 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.476 -5.703 2.649 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.700 -6.069 0.934 1.00 0.17 C ATOM 0 H VAL A 40 -4.354 -7.658 4.321 1.00 0.18 H new ATOM 0 HA VAL A 40 -3.097 -5.733 2.715 1.00 0.15 H new ATOM 0 HB VAL A 40 -5.256 -7.404 2.507 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -7.214 -6.077 1.940 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.783 -5.961 3.663 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.401 -4.619 2.557 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.486 -6.399 0.254 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.528 -5.001 0.799 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.781 -6.614 0.719 1.00 0.17 H new ATOM 490 N GLU A 41 -5.163 -4.557 4.977 1.00 0.17 N ATOM 491 CA GLU A 41 -5.574 -3.352 5.683 1.00 0.17 C ATOM 492 C GLU A 41 -4.378 -2.432 5.941 1.00 0.14 C ATOM 493 O GLU A 41 -4.408 -1.256 5.581 1.00 0.14 O ATOM 494 CB GLU A 41 -6.229 -3.722 7.009 1.00 0.24 C ATOM 495 CG GLU A 41 -7.393 -4.684 6.873 1.00 0.30 C ATOM 496 CD GLU A 41 -8.080 -4.944 8.195 1.00 0.46 C ATOM 497 OE1 GLU A 41 -8.995 -4.177 8.560 1.00 0.82 O ATOM 498 OE2 GLU A 41 -7.709 -5.920 8.876 1.00 0.65 O ATOM 0 H GLU A 41 -5.567 -5.416 5.350 1.00 0.17 H new ATOM 0 HA GLU A 41 -6.291 -2.821 5.057 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.478 -4.166 7.662 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.578 -2.812 7.497 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -8.115 -4.279 6.164 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -7.036 -5.627 6.460 1.00 0.30 H new ATOM 505 N ASP A 42 -3.330 -2.980 6.560 1.00 0.15 N ATOM 506 CA ASP A 42 -2.112 -2.229 6.840 1.00 0.16 C ATOM 507 C ASP A 42 -1.483 -1.674 5.570 1.00 0.13 C ATOM 508 O ASP A 42 -1.028 -0.530 5.550 1.00 0.16 O ATOM 509 CB ASP A 42 -1.093 -3.109 7.562 1.00 0.23 C ATOM 510 CG ASP A 42 -1.496 -3.432 8.982 1.00 0.43 C ATOM 511 OD1 ASP A 42 -1.144 -2.657 9.891 1.00 0.66 O ATOM 512 OD2 ASP A 42 -2.174 -4.459 9.195 1.00 0.57 O ATOM 0 H ASP A 42 -3.305 -3.949 6.878 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.394 -1.392 7.478 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.964 -4.038 7.006 1.00 0.23 H new ATOM 0 HB3 ASP A 42 -0.126 -2.605 7.570 1.00 0.23 H new ATOM 517 N PHE A 43 -1.453 -2.484 4.513 1.00 0.11 N ATOM 518 CA PHE A 43 -0.932 -2.028 3.229 1.00 0.10 C ATOM 519 C PHE A 43 -1.737 -0.833 2.761 1.00 0.08 C ATOM 520 O PHE A 43 -1.190 0.222 2.439 1.00 0.09 O ATOM 521 CB PHE A 43 -1.006 -3.130 2.163 1.00 0.12 C ATOM 522 CG PHE A 43 -0.683 -2.665 0.753 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.641 -2.035 -0.022 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.587 -2.844 0.212 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.342 -1.600 -1.303 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.888 -2.413 -1.060 1.00 0.13 C ATOM 527 CZ PHE A 43 -0.109 -1.835 -1.842 1.00 0.17 C ATOM 0 H PHE A 43 -1.780 -3.450 4.521 1.00 0.11 H new ATOM 0 HA PHE A 43 0.115 -1.758 3.367 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.316 -3.929 2.436 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -2.008 -3.558 2.170 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.633 -1.881 0.376 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.350 -3.330 0.801 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -2.088 -1.072 -1.879 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.890 -2.522 -1.449 1.00 0.13 H new ATOM 0 HZ PHE A 43 0.092 -1.574 -2.870 1.00 0.17 H new ATOM 537 N LEU A 44 -3.046 -1.043 2.718 1.00 0.09 N ATOM 538 CA LEU A 44 -4.000 -0.042 2.263 1.00 0.11 C ATOM 539 C LEU A 44 -3.809 1.245 3.037 1.00 0.11 C ATOM 540 O LEU A 44 -3.972 2.319 2.486 1.00 0.14 O ATOM 541 CB LEU A 44 -5.449 -0.564 2.413 1.00 0.13 C ATOM 542 CG LEU A 44 -5.690 -2.019 1.981 1.00 0.14 C ATOM 543 CD1 LEU A 44 -7.111 -2.233 1.536 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.759 -2.451 0.881 1.00 0.15 C ATOM 0 H LEU A 44 -3.479 -1.922 3.001 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.822 0.159 1.206 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.744 -0.463 3.457 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -6.108 0.081 1.831 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.491 -2.630 2.862 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.246 -3.273 1.238 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.789 -2.000 2.358 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.329 -1.581 0.690 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -4.970 -3.486 0.612 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -4.904 -1.813 0.010 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.728 -2.368 1.224 1.00 0.15 H new ATOM 556 N MET A 45 -3.430 1.125 4.303 1.00 0.12 N ATOM 557 CA MET A 45 -3.105 2.295 5.123 1.00 0.14 C ATOM 558 C MET A 45 -1.854 2.990 4.601 1.00 0.11 C ATOM 559 O MET A 45 -1.872 4.187 4.324 1.00 0.12 O ATOM 560 CB MET A 45 -2.867 1.907 6.580 1.00 0.20 C ATOM 561 CG MET A 45 -4.058 1.264 7.248 1.00 0.32 C ATOM 562 SD MET A 45 -3.751 0.872 8.979 1.00 0.55 S ATOM 563 CE MET A 45 -3.681 2.516 9.688 1.00 1.27 C ATOM 0 H MET A 45 -3.339 0.232 4.788 1.00 0.12 H new ATOM 0 HA MET A 45 -3.959 2.970 5.064 1.00 0.14 H new ATOM 0 HB2 MET A 45 -2.022 1.220 6.629 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.586 2.798 7.141 1.00 0.20 H new ATOM 0 HG2 MET A 45 -4.915 1.933 7.177 1.00 0.32 H new ATOM 0 HG3 MET A 45 -4.321 0.351 6.713 1.00 0.32 H new ATOM 0 HE1 MET A 45 -2.874 2.563 10.419 1.00 1.27 H new ATOM 0 HE2 MET A 45 -3.499 3.245 8.899 1.00 1.27 H new ATOM 0 HE3 MET A 45 -4.628 2.741 10.178 1.00 1.27 H new ATOM 573 N LEU A 46 -0.765 2.229 4.509 1.00 0.10 N ATOM 574 CA LEU A 46 0.517 2.736 4.015 1.00 0.11 C ATOM 575 C LEU A 46 0.346 3.542 2.732 1.00 0.12 C ATOM 576 O LEU A 46 0.818 4.675 2.632 1.00 0.14 O ATOM 577 CB LEU A 46 1.495 1.583 3.765 1.00 0.12 C ATOM 578 CG LEU A 46 1.763 0.671 4.962 1.00 0.12 C ATOM 579 CD1 LEU A 46 2.912 -0.273 4.666 1.00 0.14 C ATOM 580 CD2 LEU A 46 2.058 1.495 6.202 1.00 0.12 C ATOM 0 H LEU A 46 -0.745 1.244 4.774 1.00 0.10 H new ATOM 0 HA LEU A 46 0.920 3.394 4.785 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.109 0.975 2.947 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.444 2.002 3.431 1.00 0.12 H new ATOM 0 HG LEU A 46 0.869 0.076 5.148 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.088 -0.914 5.530 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.664 -0.889 3.802 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.812 0.304 4.454 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.246 0.830 7.045 1.00 0.12 H new ATOM 0 HD22 LEU A 46 2.937 2.115 6.026 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.203 2.132 6.427 1.00 0.12 H new ATOM 592 N ARG A 47 -0.342 2.960 1.763 1.00 0.12 N ATOM 593 CA ARG A 47 -0.588 3.645 0.503 1.00 0.15 C ATOM 594 C ARG A 47 -1.547 4.800 0.701 1.00 0.15 C ATOM 595 O ARG A 47 -1.323 5.881 0.178 1.00 0.20 O ATOM 596 CB ARG A 47 -1.146 2.698 -0.550 1.00 0.25 C ATOM 597 CG ARG A 47 -2.121 1.681 -0.011 1.00 0.91 C ATOM 598 CD ARG A 47 -3.124 1.290 -1.064 1.00 0.40 C ATOM 599 NE ARG A 47 -2.631 1.574 -2.407 1.00 1.16 N ATOM 600 CZ ARG A 47 -3.256 2.361 -3.272 1.00 1.30 C ATOM 601 NH1 ARG A 47 -4.461 2.839 -2.993 1.00 1.51 N ATOM 602 NH2 ARG A 47 -2.677 2.655 -4.424 1.00 2.08 N ATOM 0 H ARG A 47 -0.738 2.022 1.823 1.00 0.12 H new ATOM 0 HA ARG A 47 0.371 4.026 0.151 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -1.641 3.284 -1.325 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -0.318 2.174 -1.027 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -1.581 0.797 0.329 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -2.639 2.091 0.856 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.349 0.227 -0.976 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -4.057 1.829 -0.897 1.00 0.40 H new ATOM 0 HE ARG A 47 -1.754 1.142 -2.698 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -4.912 2.602 -2.109 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -4.937 3.444 -3.662 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -1.755 2.277 -4.643 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -3.152 3.260 -5.094 1.00 2.08 H new ATOM 616 N HIS A 48 -2.629 4.536 1.426 1.00 0.14 N ATOM 617 CA HIS A 48 -3.615 5.552 1.761 1.00 0.15 C ATOM 618 C HIS A 48 -2.946 6.828 2.222 1.00 0.17 C ATOM 619 O HIS A 48 -3.035 7.833 1.547 1.00 0.20 O ATOM 620 CB HIS A 48 -4.570 5.039 2.836 1.00 0.18 C ATOM 621 CG HIS A 48 -5.899 4.610 2.311 1.00 0.21 C ATOM 622 ND1 HIS A 48 -6.947 4.227 3.118 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.325 4.455 1.045 1.00 0.21 C ATOM 624 CE1 HIS A 48 -7.960 3.850 2.363 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.611 3.977 1.097 1.00 0.31 N ATOM 0 H HIS A 48 -2.845 3.611 1.797 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.187 5.773 0.860 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -4.105 4.198 3.350 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.720 5.823 3.579 1.00 0.18 H new ATOM 0 HD2 HIS A 48 -5.759 4.668 0.150 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -8.916 3.496 2.721 1.00 0.47 H new ATOM 0 HE2 HIS A 48 -8.198 3.757 0.292 1.00 0.31 H new ATOM 634 N ARG A 49 -2.218 6.768 3.323 1.00 0.17 N ATOM 635 CA ARG A 49 -1.645 7.972 3.911 1.00 0.18 C ATOM 636 C ARG A 49 -0.839 8.752 2.870 1.00 0.22 C ATOM 637 O ARG A 49 -1.058 9.944 2.667 1.00 0.28 O ATOM 638 CB ARG A 49 -0.766 7.608 5.090 1.00 0.16 C ATOM 639 CG ARG A 49 -1.457 6.697 6.084 1.00 0.17 C ATOM 640 CD ARG A 49 -0.708 6.678 7.388 1.00 0.17 C ATOM 641 NE ARG A 49 -0.713 5.356 8.020 1.00 0.29 N ATOM 642 CZ ARG A 49 -0.795 5.158 9.337 1.00 0.52 C ATOM 643 NH1 ARG A 49 -0.998 6.184 10.158 1.00 0.69 N ATOM 644 NH2 ARG A 49 -0.698 3.931 9.832 1.00 0.68 N ATOM 0 H ARG A 49 -2.009 5.906 3.827 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.459 8.607 4.260 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.138 7.120 4.725 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.453 8.520 5.598 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.479 7.038 6.250 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.519 5.687 5.679 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.322 6.991 7.216 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -1.152 7.404 8.069 1.00 0.17 H new ATOM 0 HE ARG A 49 -0.650 4.537 7.416 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -1.092 7.127 9.782 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -1.060 6.028 11.164 1.00 0.69 H new ATOM 0 HH21 ARG A 49 -0.561 3.138 9.206 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -0.761 3.781 10.839 1.00 0.68 H new ATOM 658 N ALA A 50 0.082 8.048 2.224 1.00 0.24 N ATOM 659 CA ALA A 50 0.880 8.603 1.129 1.00 0.31 C ATOM 660 C ALA A 50 -0.006 9.245 0.053 1.00 0.35 C ATOM 661 O ALA A 50 0.160 10.419 -0.290 1.00 0.42 O ATOM 662 CB ALA A 50 1.754 7.515 0.516 1.00 0.34 C ATOM 0 H ALA A 50 0.300 7.076 2.442 1.00 0.24 H new ATOM 0 HA ALA A 50 1.517 9.386 1.541 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.344 7.937 -0.298 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.422 7.113 1.278 1.00 0.34 H new ATOM 0 HB3 ALA A 50 1.122 6.716 0.129 1.00 0.34 H new ATOM 668 N ALA A 51 -0.936 8.457 -0.476 1.00 0.34 N ATOM 669 CA ALA A 51 -1.887 8.899 -1.486 1.00 0.43 C ATOM 670 C ALA A 51 -2.708 10.101 -1.031 1.00 0.41 C ATOM 671 O ALA A 51 -2.973 11.014 -1.813 1.00 0.47 O ATOM 672 CB ALA A 51 -2.824 7.747 -1.821 1.00 0.52 C ATOM 0 H ALA A 51 -1.051 7.479 -0.210 1.00 0.34 H new ATOM 0 HA ALA A 51 -1.318 9.208 -2.363 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -3.540 8.069 -2.577 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -2.245 6.907 -2.204 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -3.359 7.440 -0.922 1.00 0.52 H new ATOM 678 N LEU A 52 -3.110 10.095 0.227 1.00 0.36 N ATOM 679 CA LEU A 52 -4.053 11.085 0.722 1.00 0.39 C ATOM 680 C LEU A 52 -3.320 12.319 1.239 1.00 0.40 C ATOM 681 O LEU A 52 -3.332 13.369 0.590 1.00 0.46 O ATOM 682 CB LEU A 52 -4.938 10.468 1.807 1.00 0.39 C ATOM 683 CG LEU A 52 -5.430 9.053 1.492 1.00 0.36 C ATOM 684 CD1 LEU A 52 -6.159 8.445 2.672 1.00 0.39 C ATOM 685 CD2 LEU A 52 -6.305 9.046 0.256 1.00 0.43 C ATOM 0 H LEU A 52 -2.800 9.418 0.924 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.693 11.405 -0.100 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -4.381 10.446 2.744 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.802 11.113 1.965 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.553 8.437 1.291 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.495 7.441 2.414 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.486 8.394 3.528 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -7.021 9.062 2.924 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.641 8.029 0.054 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -7.170 9.689 0.419 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.734 9.415 -0.596 1.00 0.43 H new ATOM 697 N GLY A 53 -2.675 12.203 2.393 1.00 0.36 N ATOM 698 CA GLY A 53 -1.850 13.292 2.874 1.00 0.37 C ATOM 699 C GLY A 53 -1.338 13.082 4.285 1.00 0.36 C ATOM 700 O GLY A 53 -1.245 14.032 5.061 1.00 0.55 O ATOM 0 H GLY A 53 -2.708 11.383 2.998 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -1.001 13.419 2.202 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -2.425 14.217 2.838 1.00 0.37 H new ATOM 704 N ALA A 54 -1.005 11.847 4.633 1.00 0.30 N ATOM 705 CA ALA A 54 -0.457 11.551 5.946 1.00 0.27 C ATOM 706 C ALA A 54 0.918 10.905 5.813 1.00 0.23 C ATOM 707 O ALA A 54 1.130 10.043 4.965 1.00 0.24 O ATOM 708 CB ALA A 54 -1.411 10.661 6.726 1.00 0.29 C ATOM 0 H ALA A 54 -1.105 11.035 4.024 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.338 12.483 6.499 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -0.988 10.447 7.708 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.367 11.170 6.846 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.562 9.727 6.185 1.00 0.29 H new ATOM 714 N ASP A 55 1.845 11.320 6.662 1.00 0.24 N ATOM 715 CA ASP A 55 3.233 10.895 6.547 1.00 0.24 C ATOM 716 C ASP A 55 3.684 10.127 7.778 1.00 0.21 C ATOM 717 O ASP A 55 4.726 10.425 8.363 1.00 0.25 O ATOM 718 CB ASP A 55 4.158 12.097 6.325 1.00 0.33 C ATOM 719 CG ASP A 55 4.130 12.616 4.901 1.00 1.21 C ATOM 720 OD1 ASP A 55 3.208 13.393 4.562 1.00 1.37 O ATOM 721 OD2 ASP A 55 5.013 12.234 4.103 1.00 1.93 O ATOM 0 H ASP A 55 1.661 11.953 7.441 1.00 0.24 H new ATOM 0 HA ASP A 55 3.294 10.233 5.683 1.00 0.24 H new ATOM 0 HB2 ASP A 55 3.869 12.900 7.003 1.00 0.33 H new ATOM 0 HB3 ASP A 55 5.179 11.814 6.582 1.00 0.33 H new ATOM 726 N ASP A 56 2.888 9.154 8.185 1.00 0.19 N ATOM 727 CA ASP A 56 3.310 8.227 9.232 1.00 0.22 C ATOM 728 C ASP A 56 4.409 7.324 8.688 1.00 0.17 C ATOM 729 O ASP A 56 4.265 6.777 7.603 1.00 0.21 O ATOM 730 CB ASP A 56 2.143 7.378 9.728 1.00 0.30 C ATOM 731 CG ASP A 56 2.540 6.477 10.880 1.00 0.65 C ATOM 732 OD1 ASP A 56 2.524 6.937 12.041 1.00 0.86 O ATOM 733 OD2 ASP A 56 2.864 5.297 10.626 1.00 0.93 O ATOM 0 H ASP A 56 1.954 8.982 7.814 1.00 0.19 H new ATOM 0 HA ASP A 56 3.684 8.807 10.076 1.00 0.22 H new ATOM 0 HB2 ASP A 56 1.329 8.031 10.043 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.764 6.770 8.907 1.00 0.30 H new ATOM 738 N ASN A 57 5.510 7.202 9.423 1.00 0.23 N ATOM 739 CA ASN A 57 6.719 6.554 8.925 1.00 0.20 C ATOM 740 C ASN A 57 6.497 5.221 8.208 1.00 0.17 C ATOM 741 O ASN A 57 7.170 4.953 7.220 1.00 0.18 O ATOM 742 CB ASN A 57 7.738 6.365 10.036 1.00 0.25 C ATOM 743 CG ASN A 57 7.210 5.569 11.211 1.00 0.35 C ATOM 744 OD1 ASN A 57 6.586 6.120 12.115 1.00 0.70 O ATOM 745 ND2 ASN A 57 7.477 4.274 11.222 1.00 0.47 N ATOM 0 H ASN A 57 5.589 7.549 10.379 1.00 0.23 H new ATOM 0 HA ASN A 57 7.098 7.243 8.170 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.616 5.861 9.631 1.00 0.25 H new ATOM 0 HB3 ASN A 57 8.066 7.343 10.388 1.00 0.25 H new ATOM 0 HD21 ASN A 57 7.162 3.695 12.000 1.00 0.47 H new ATOM 0 HD22 ASN A 57 7.998 3.854 10.452 1.00 0.47 H new ATOM 752 N ASP A 58 5.573 4.391 8.667 1.00 0.18 N ATOM 753 CA ASP A 58 5.337 3.112 7.991 1.00 0.19 C ATOM 754 C ASP A 58 4.874 3.376 6.569 1.00 0.16 C ATOM 755 O ASP A 58 5.322 2.744 5.614 1.00 0.19 O ATOM 756 CB ASP A 58 4.301 2.268 8.740 1.00 0.22 C ATOM 757 CG ASP A 58 4.924 1.378 9.794 1.00 1.28 C ATOM 758 OD1 ASP A 58 5.310 1.894 10.865 1.00 1.35 O ATOM 759 OD2 ASP A 58 5.023 0.155 9.564 1.00 2.31 O ATOM 0 H ASP A 58 4.985 4.567 9.482 1.00 0.18 H new ATOM 0 HA ASP A 58 6.270 2.548 7.975 1.00 0.19 H new ATOM 0 HB2 ASP A 58 3.573 2.928 9.212 1.00 0.22 H new ATOM 0 HB3 ASP A 58 3.756 1.651 8.026 1.00 0.22 H new ATOM 764 N ALA A 59 3.989 4.340 6.467 1.00 0.13 N ATOM 765 CA ALA A 59 3.474 4.792 5.189 1.00 0.11 C ATOM 766 C ALA A 59 4.562 5.447 4.347 1.00 0.12 C ATOM 767 O ALA A 59 4.580 5.292 3.126 1.00 0.13 O ATOM 768 CB ALA A 59 2.323 5.749 5.394 1.00 0.10 C ATOM 0 H ALA A 59 3.602 4.837 7.270 1.00 0.13 H new ATOM 0 HA ALA A 59 3.116 3.916 4.648 1.00 0.11 H new ATOM 0 HB1 ALA A 59 1.947 6.079 4.425 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.525 5.246 5.940 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.665 6.613 5.964 1.00 0.10 H new ATOM 774 N VAL A 60 5.482 6.166 4.985 1.00 0.14 N ATOM 775 CA VAL A 60 6.505 6.872 4.229 1.00 0.17 C ATOM 776 C VAL A 60 7.566 5.898 3.725 1.00 0.18 C ATOM 777 O VAL A 60 8.061 6.036 2.611 1.00 0.20 O ATOM 778 CB VAL A 60 7.179 8.017 5.022 1.00 0.21 C ATOM 779 CG1 VAL A 60 6.145 8.829 5.778 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.261 7.506 5.953 1.00 0.25 C ATOM 0 H VAL A 60 5.539 6.273 5.998 1.00 0.14 H new ATOM 0 HA VAL A 60 5.991 7.333 3.386 1.00 0.17 H new ATOM 0 HB VAL A 60 7.666 8.670 4.298 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.641 9.628 6.328 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.435 9.261 5.073 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.615 8.182 6.477 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.706 8.345 6.489 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.826 6.808 6.668 1.00 0.25 H new ATOM 0 HG23 VAL A 60 9.030 6.997 5.372 1.00 0.25 H new ATOM 790 N LYS A 61 7.907 4.910 4.553 1.00 0.19 N ATOM 791 CA LYS A 61 8.842 3.874 4.159 1.00 0.22 C ATOM 792 C LYS A 61 8.209 2.961 3.119 1.00 0.20 C ATOM 793 O LYS A 61 8.901 2.312 2.333 1.00 0.28 O ATOM 794 CB LYS A 61 9.259 3.100 5.397 1.00 0.29 C ATOM 795 CG LYS A 61 9.962 3.976 6.422 1.00 0.37 C ATOM 796 CD LYS A 61 9.837 3.410 7.828 1.00 0.49 C ATOM 797 CE LYS A 61 10.048 1.911 7.841 1.00 1.13 C ATOM 798 NZ LYS A 61 11.450 1.534 7.519 1.00 1.71 N ATOM 0 H LYS A 61 7.545 4.812 5.501 1.00 0.19 H new ATOM 0 HA LYS A 61 9.727 4.319 3.705 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.378 2.648 5.853 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.921 2.284 5.106 1.00 0.29 H new ATOM 0 HG2 LYS A 61 11.016 4.068 6.160 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.538 4.980 6.395 1.00 0.37 H new ATOM 0 HD2 LYS A 61 10.568 3.887 8.480 1.00 0.49 H new ATOM 0 HD3 LYS A 61 8.851 3.644 8.230 1.00 0.49 H new ATOM 0 HE2 LYS A 61 9.785 1.518 8.823 1.00 1.13 H new ATOM 0 HE3 LYS A 61 9.375 1.446 7.121 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 11.545 0.499 7.540 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 11.695 1.885 6.571 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 12.092 1.955 8.220 1.00 1.71 H new ATOM 812 N PHE A 62 6.884 2.919 3.122 1.00 0.14 N ATOM 813 CA PHE A 62 6.143 2.269 2.063 1.00 0.13 C ATOM 814 C PHE A 62 6.320 3.060 0.784 1.00 0.13 C ATOM 815 O PHE A 62 6.725 2.522 -0.239 1.00 0.15 O ATOM 816 CB PHE A 62 4.660 2.187 2.417 1.00 0.14 C ATOM 817 CG PHE A 62 3.811 1.618 1.320 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.690 0.251 1.172 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.140 2.449 0.435 1.00 0.15 C ATOM 820 CE1 PHE A 62 2.916 -0.281 0.164 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.366 1.921 -0.576 1.00 0.16 C ATOM 822 CZ PHE A 62 2.254 0.555 -0.712 1.00 0.17 C ATOM 0 H PHE A 62 6.303 3.331 3.852 1.00 0.14 H new ATOM 0 HA PHE A 62 6.521 1.255 1.931 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.542 1.575 3.311 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.298 3.185 2.664 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.207 -0.408 1.853 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.225 3.521 0.539 1.00 0.15 H new ATOM 0 HE1 PHE A 62 2.827 -1.352 0.059 1.00 0.18 H new ATOM 0 HE2 PHE A 62 1.848 2.577 -1.260 1.00 0.16 H new ATOM 0 HZ PHE A 62 1.649 0.138 -1.503 1.00 0.17 H new ATOM 832 N ARG A 63 6.011 4.345 0.868 1.00 0.12 N ATOM 833 CA ARG A 63 6.161 5.268 -0.243 1.00 0.15 C ATOM 834 C ARG A 63 7.564 5.196 -0.838 1.00 0.14 C ATOM 835 O ARG A 63 7.725 4.872 -2.009 1.00 0.16 O ATOM 836 CB ARG A 63 5.841 6.681 0.267 1.00 0.21 C ATOM 837 CG ARG A 63 6.242 7.833 -0.644 1.00 0.42 C ATOM 838 CD ARG A 63 7.691 8.243 -0.418 1.00 0.39 C ATOM 839 NE ARG A 63 7.954 9.604 -0.853 1.00 0.76 N ATOM 840 CZ ARG A 63 9.081 10.263 -0.599 1.00 1.06 C ATOM 841 NH1 ARG A 63 10.054 9.681 0.096 1.00 1.44 N ATOM 842 NH2 ARG A 63 9.236 11.503 -1.043 1.00 1.37 N ATOM 0 H ARG A 63 5.646 4.778 1.716 1.00 0.12 H new ATOM 0 HA ARG A 63 5.472 4.999 -1.044 1.00 0.15 H new ATOM 0 HB2 ARG A 63 4.768 6.745 0.447 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.335 6.818 1.229 1.00 0.21 H new ATOM 0 HG2 ARG A 63 6.103 7.541 -1.685 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.589 8.686 -0.463 1.00 0.42 H new ATOM 0 HD2 ARG A 63 7.932 8.150 0.641 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.348 7.559 -0.956 1.00 0.39 H new ATOM 0 HE ARG A 63 7.229 10.084 -1.386 1.00 0.76 H new ATOM 0 HH11 ARG A 63 9.937 8.726 0.436 1.00 1.44 H new ATOM 0 HH12 ARG A 63 10.917 10.189 0.289 1.00 1.44 H new ATOM 0 HH21 ARG A 63 8.492 11.950 -1.578 1.00 1.37 H new ATOM 0 HH22 ARG A 63 10.100 12.010 -0.849 1.00 1.37 H new ATOM 856 N SER A 64 8.555 5.502 -0.015 1.00 0.13 N ATOM 857 CA SER A 64 9.955 5.516 -0.431 1.00 0.16 C ATOM 858 C SER A 64 10.369 4.257 -1.204 1.00 0.17 C ATOM 859 O SER A 64 11.148 4.331 -2.153 1.00 0.28 O ATOM 860 CB SER A 64 10.846 5.717 0.792 1.00 0.21 C ATOM 861 OG SER A 64 10.526 6.938 1.443 1.00 1.30 O ATOM 0 H SER A 64 8.414 5.749 0.965 1.00 0.13 H new ATOM 0 HA SER A 64 10.080 6.348 -1.124 1.00 0.16 H new ATOM 0 HB2 SER A 64 10.718 4.884 1.484 1.00 0.21 H new ATOM 0 HB3 SER A 64 11.893 5.722 0.490 1.00 0.21 H new ATOM 0 HG SER A 64 9.702 6.826 1.962 1.00 1.30 H new ATOM 867 N TRP A 65 9.849 3.106 -0.808 1.00 0.13 N ATOM 868 CA TRP A 65 10.143 1.863 -1.511 1.00 0.14 C ATOM 869 C TRP A 65 9.254 1.704 -2.742 1.00 0.13 C ATOM 870 O TRP A 65 9.746 1.551 -3.856 1.00 0.15 O ATOM 871 CB TRP A 65 9.996 0.677 -0.552 1.00 0.17 C ATOM 872 CG TRP A 65 9.702 -0.642 -1.208 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.580 -1.518 -1.773 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.418 -1.235 -1.335 1.00 0.16 C ATOM 875 NE1 TRP A 65 9.906 -2.628 -2.231 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.573 -2.469 -1.981 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.153 -0.828 -0.959 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.494 -3.304 -2.257 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.081 -1.649 -1.230 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.257 -2.877 -1.876 1.00 0.21 C ATOM 0 H TRP A 65 9.224 3.004 -0.008 1.00 0.13 H new ATOM 0 HA TRP A 65 11.174 1.893 -1.864 1.00 0.14 H new ATOM 0 HB2 TRP A 65 10.916 0.581 0.025 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.197 0.899 0.156 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.646 -1.364 -1.850 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.333 -3.437 -2.683 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.007 0.119 -0.460 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.632 -4.253 -2.754 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.088 -1.340 -0.939 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.397 -3.498 -2.077 1.00 0.21 H new ATOM 891 N TRP A 66 7.954 1.814 -2.536 1.00 0.12 N ATOM 892 CA TRP A 66 6.963 1.495 -3.557 1.00 0.13 C ATOM 893 C TRP A 66 7.012 2.492 -4.710 1.00 0.12 C ATOM 894 O TRP A 66 6.674 2.160 -5.844 1.00 0.19 O ATOM 895 CB TRP A 66 5.576 1.485 -2.903 1.00 0.16 C ATOM 896 CG TRP A 66 4.491 0.850 -3.713 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.265 1.375 -3.971 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.512 -0.435 -4.343 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.527 0.510 -4.725 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.268 -0.603 -4.972 1.00 0.27 C ATOM 901 CE3 TRP A 66 5.456 -1.454 -4.444 1.00 0.30 C ATOM 902 CZ2 TRP A 66 2.945 -1.739 -5.685 1.00 0.34 C ATOM 903 CZ3 TRP A 66 5.134 -2.591 -5.155 1.00 0.38 C ATOM 904 CH2 TRP A 66 3.888 -2.726 -5.771 1.00 0.39 C ATOM 0 H TRP A 66 7.551 2.128 -1.653 1.00 0.12 H new ATOM 0 HA TRP A 66 7.181 0.513 -3.977 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.647 0.963 -1.948 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.289 2.513 -2.684 1.00 0.16 H new ATOM 0 HD1 TRP A 66 2.923 2.340 -3.628 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.574 0.672 -5.051 1.00 0.26 H new ATOM 0 HE3 TRP A 66 6.423 -1.356 -3.974 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 1.980 -1.845 -6.159 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 5.857 -3.389 -5.237 1.00 0.38 H new ATOM 0 HH2 TRP A 66 3.665 -3.626 -6.325 1.00 0.39 H new ATOM 915 N ASN A 67 7.475 3.700 -4.425 1.00 0.17 N ATOM 916 CA ASN A 67 7.504 4.769 -5.418 1.00 0.17 C ATOM 917 C ASN A 67 8.843 4.847 -6.119 1.00 0.18 C ATOM 918 O ASN A 67 9.063 5.711 -6.962 1.00 0.22 O ATOM 919 CB ASN A 67 7.192 6.104 -4.770 1.00 0.20 C ATOM 920 CG ASN A 67 5.713 6.281 -4.532 1.00 0.23 C ATOM 921 OD1 ASN A 67 5.240 5.776 -3.411 1.00 0.31 O flip ATOM 922 ND2 ASN A 67 4.996 6.844 -5.356 1.00 0.38 N flip ATOM 0 H ASN A 67 7.838 3.967 -3.510 1.00 0.17 H new ATOM 0 HA ASN A 67 6.742 4.539 -6.163 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.724 6.181 -3.822 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.557 6.911 -5.406 1.00 0.20 H new ATOM 0 HD21 ASN A 67 5.402 7.222 -6.212 1.00 0.38 H new ATOM 0 HD22 ASN A 67 3.995 6.934 -5.184 1.00 0.38 H new ATOM 929 N SER A 68 9.739 3.956 -5.766 1.00 0.18 N ATOM 930 CA SER A 68 11.009 3.866 -6.462 1.00 0.22 C ATOM 931 C SER A 68 10.907 2.828 -7.563 1.00 0.22 C ATOM 932 O SER A 68 11.704 2.798 -8.498 1.00 0.24 O ATOM 933 CB SER A 68 12.136 3.505 -5.500 1.00 0.25 C ATOM 934 OG SER A 68 12.323 4.519 -4.525 1.00 0.85 O ATOM 0 H SER A 68 9.618 3.286 -5.007 1.00 0.18 H new ATOM 0 HA SER A 68 11.239 4.838 -6.897 1.00 0.22 H new ATOM 0 HB2 SER A 68 11.908 2.560 -5.007 1.00 0.25 H new ATOM 0 HB3 SER A 68 13.061 3.358 -6.058 1.00 0.25 H new ATOM 0 HG SER A 68 11.648 4.424 -3.821 1.00 0.85 H new ATOM 940 N ARG A 69 9.898 1.988 -7.436 1.00 0.20 N ATOM 941 CA ARG A 69 9.708 0.863 -8.323 1.00 0.22 C ATOM 942 C ARG A 69 8.440 1.045 -9.146 1.00 0.24 C ATOM 943 O ARG A 69 8.480 1.290 -10.349 1.00 0.27 O ATOM 944 CB ARG A 69 9.639 -0.431 -7.513 1.00 0.22 C ATOM 945 CG ARG A 69 9.237 -0.240 -6.059 1.00 0.29 C ATOM 946 CD ARG A 69 8.695 -1.521 -5.457 1.00 0.22 C ATOM 947 NE ARG A 69 9.630 -2.631 -5.598 1.00 0.84 N ATOM 948 CZ ARG A 69 9.255 -3.882 -5.863 1.00 0.99 C ATOM 949 NH1 ARG A 69 7.972 -4.158 -6.060 1.00 0.97 N ATOM 950 NH2 ARG A 69 10.161 -4.845 -5.958 1.00 1.70 N ATOM 0 H ARG A 69 9.185 2.069 -6.711 1.00 0.20 H new ATOM 0 HA ARG A 69 10.555 0.805 -9.007 1.00 0.22 H new ATOM 0 HB2 ARG A 69 8.927 -1.106 -7.989 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.613 -0.919 -7.547 1.00 0.22 H new ATOM 0 HG2 ARG A 69 10.099 0.097 -5.484 1.00 0.29 H new ATOM 0 HG3 ARG A 69 8.482 0.543 -5.989 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.479 -1.362 -4.401 1.00 0.22 H new ATOM 0 HD3 ARG A 69 7.752 -1.778 -5.940 1.00 0.22 H new ATOM 0 HE ARG A 69 10.626 -2.439 -5.488 1.00 0.84 H new ATOM 0 HH11 ARG A 69 7.276 -3.414 -6.008 1.00 0.97 H new ATOM 0 HH12 ARG A 69 7.681 -5.114 -6.263 1.00 0.97 H new ATOM 0 HH21 ARG A 69 11.150 -4.630 -5.828 1.00 1.70 H new ATOM 0 HH22 ARG A 69 9.870 -5.801 -6.161 1.00 1.70 H new ATOM 964 N THR A 70 7.322 0.944 -8.451 1.00 0.24 N ATOM 965 CA THR A 70 5.998 1.017 -9.046 1.00 0.26 C ATOM 966 C THR A 70 5.526 2.445 -9.194 1.00 0.25 C ATOM 967 O THR A 70 5.175 2.888 -10.288 1.00 0.29 O ATOM 968 CB THR A 70 5.006 0.306 -8.132 1.00 0.27 C ATOM 969 OG1 THR A 70 5.487 -1.005 -7.827 1.00 0.33 O ATOM 970 CG2 THR A 70 3.626 0.231 -8.755 1.00 0.31 C ATOM 0 H THR A 70 7.307 0.807 -7.440 1.00 0.24 H new ATOM 0 HA THR A 70 6.054 0.554 -10.031 1.00 0.26 H new ATOM 0 HB THR A 70 4.917 0.884 -7.212 1.00 0.27 H new ATOM 0 HG1 THR A 70 4.992 -1.365 -7.061 1.00 0.33 H new ATOM 0 HG21 THR A 70 2.947 -0.282 -8.074 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.257 1.239 -8.944 1.00 0.31 H new ATOM 0 HG23 THR A 70 3.681 -0.318 -9.695 1.00 0.31 H new ATOM 978 N LYS A 71 5.501 3.139 -8.059 1.00 0.24 N ATOM 979 CA LYS A 71 4.922 4.471 -7.944 1.00 0.27 C ATOM 980 C LYS A 71 3.411 4.367 -7.956 1.00 0.30 C ATOM 981 O LYS A 71 2.695 5.328 -8.249 1.00 0.52 O ATOM 982 CB LYS A 71 5.438 5.395 -9.021 1.00 0.32 C ATOM 983 CG LYS A 71 6.958 5.436 -9.079 1.00 0.35 C ATOM 984 CD LYS A 71 7.498 6.660 -9.800 1.00 0.46 C ATOM 985 CE LYS A 71 7.062 7.949 -9.121 1.00 0.93 C ATOM 986 NZ LYS A 71 7.812 9.131 -9.625 1.00 1.20 N ATOM 0 H LYS A 71 5.888 2.786 -7.184 1.00 0.24 H new ATOM 0 HA LYS A 71 5.229 4.911 -6.995 1.00 0.27 H new ATOM 0 HB2 LYS A 71 5.050 5.073 -9.987 1.00 0.32 H new ATOM 0 HB3 LYS A 71 5.058 6.401 -8.844 1.00 0.32 H new ATOM 0 HG2 LYS A 71 7.354 5.416 -8.064 1.00 0.35 H new ATOM 0 HG3 LYS A 71 7.320 4.538 -9.580 1.00 0.35 H new ATOM 0 HD2 LYS A 71 8.587 6.614 -9.830 1.00 0.46 H new ATOM 0 HD3 LYS A 71 7.150 6.657 -10.833 1.00 0.46 H new ATOM 0 HE2 LYS A 71 5.995 8.101 -9.285 1.00 0.93 H new ATOM 0 HE3 LYS A 71 7.210 7.859 -8.045 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 7.482 9.987 -9.134 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 8.828 9.000 -9.446 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 7.651 9.234 -10.647 1.00 1.20 H new ATOM 1000 N MET A 72 2.969 3.157 -7.611 1.00 0.31 N ATOM 1001 CA MET A 72 1.579 2.815 -7.300 1.00 0.32 C ATOM 1002 C MET A 72 0.534 3.382 -8.256 1.00 0.39 C ATOM 1003 O MET A 72 0.822 3.771 -9.389 1.00 0.72 O ATOM 1004 CB MET A 72 1.262 3.216 -5.853 1.00 0.35 C ATOM 1005 CG MET A 72 1.629 4.631 -5.485 1.00 0.40 C ATOM 1006 SD MET A 72 0.290 5.809 -5.737 1.00 1.11 S ATOM 1007 CE MET A 72 1.057 7.307 -5.122 1.00 1.20 C ATOM 0 H MET A 72 3.595 2.355 -7.537 1.00 0.31 H new ATOM 0 HA MET A 72 1.508 1.735 -7.430 1.00 0.32 H new ATOM 0 HB2 MET A 72 0.195 3.077 -5.680 1.00 0.35 H new ATOM 0 HB3 MET A 72 1.785 2.535 -5.181 1.00 0.35 H new ATOM 0 HG2 MET A 72 1.934 4.658 -4.439 1.00 0.40 H new ATOM 0 HG3 MET A 72 2.491 4.940 -6.077 1.00 0.40 H new ATOM 0 HE1 MET A 72 0.314 8.103 -5.075 1.00 1.20 H new ATOM 0 HE2 MET A 72 1.460 7.127 -4.125 1.00 1.20 H new ATOM 0 HE3 MET A 72 1.865 7.604 -5.791 1.00 1.20 H new ATOM 1017 N ALA A 73 -0.693 3.353 -7.775 1.00 0.48 N ATOM 1018 CA ALA A 73 -1.853 3.812 -8.480 1.00 0.56 C ATOM 1019 C ALA A 73 -2.906 4.129 -7.442 1.00 0.61 C ATOM 1020 O ALA A 73 -3.716 3.271 -7.093 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.349 2.766 -9.459 1.00 0.67 C ATOM 0 H ALA A 73 -0.908 2.993 -6.845 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.616 4.698 -9.069 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.230 3.143 -9.979 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -1.566 2.546 -10.185 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -2.609 1.856 -8.918 1.00 0.67 H new ATOM 1027 N ASN A 74 -2.813 5.349 -6.916 1.00 0.64 N ATOM 1028 CA ASN A 74 -3.647 5.855 -5.813 1.00 0.74 C ATOM 1029 C ASN A 74 -5.000 5.158 -5.719 1.00 0.92 C ATOM 1030 O ASN A 74 -5.338 4.599 -4.681 1.00 1.68 O ATOM 1031 CB ASN A 74 -3.843 7.365 -5.980 1.00 0.89 C ATOM 1032 CG ASN A 74 -2.542 8.132 -5.842 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -2.283 8.638 -4.648 1.00 2.37 O flip ATOM 1034 ND2 ASN A 74 -1.791 8.288 -6.805 1.00 1.58 N flip ATOM 0 H ASN A 74 -2.138 6.037 -7.251 1.00 0.64 H new ATOM 0 HA ASN A 74 -3.122 5.639 -4.882 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -4.279 7.567 -6.958 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -4.554 7.722 -5.234 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -2.029 7.880 -7.709 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -0.930 8.825 -6.699 1.00 1.58 H new ATOM 1041 N ASP A 75 -5.761 5.173 -6.797 1.00 0.91 N ATOM 1042 CA ASP A 75 -7.007 4.422 -6.850 1.00 0.98 C ATOM 1043 C ASP A 75 -7.421 4.178 -8.291 1.00 0.96 C ATOM 1044 O ASP A 75 -8.604 4.068 -8.603 1.00 1.14 O ATOM 1045 CB ASP A 75 -8.123 5.148 -6.084 1.00 1.22 C ATOM 1046 CG ASP A 75 -8.338 6.581 -6.542 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -9.120 6.791 -7.493 1.00 2.37 O ATOM 1048 OD2 ASP A 75 -7.709 7.500 -5.973 1.00 2.38 O ATOM 0 H ASP A 75 -5.542 5.694 -7.646 1.00 0.91 H new ATOM 0 HA ASP A 75 -6.840 3.458 -6.369 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -9.054 4.594 -6.202 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -7.884 5.147 -5.021 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.433 4.069 -9.163 1.00 0.81 N ATOM 1054 CA TYR A 76 -6.686 3.904 -10.581 1.00 0.88 C ATOM 1055 C TYR A 76 -6.669 2.428 -10.966 1.00 0.93 C ATOM 1056 O TYR A 76 -5.636 1.959 -11.486 1.00 1.47 O ATOM 1057 CB TYR A 76 -5.645 4.672 -11.381 1.00 0.91 C ATOM 1058 CG TYR A 76 -5.677 6.161 -11.134 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -6.646 6.966 -11.719 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -4.732 6.763 -10.317 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -6.672 8.324 -11.492 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -4.751 8.120 -10.085 1.00 1.23 C ATOM 1063 CZ TYR A 76 -5.748 8.900 -10.688 1.00 1.45 C ATOM 1064 OH TYR A 76 -5.746 10.254 -10.442 1.00 1.70 O ATOM 0 H TYR A 76 -5.445 4.092 -8.911 1.00 0.81 H new ATOM 0 HA TYR A 76 -7.676 4.301 -10.808 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -4.654 4.291 -11.133 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -5.802 4.484 -12.443 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -7.391 6.520 -12.362 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -3.967 6.157 -9.854 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -7.433 8.932 -11.958 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -4.009 8.577 -9.448 1.00 1.23 H new ATOM 0 HH TYR A 76 -5.006 10.476 -9.840 1.00 1.70 H new TER 1074 TYR A 76