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 11 THR OG1 : rot -150:sc= 0.00898 USER MOD Set 1.2: A 48 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -105:sc= 0.104 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -7.07! C(o=-7.1!,f=-5.1!) USER MOD Single : A 31 ASN : amide:sc= -3.17! C(o=-3.2!,f=-1.8!) USER MOD Single : A 33 SER OG : rot 120:sc= 0.474 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= -0.0153 (180deg=-0.127) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 133:sc= -0.213 (180deg=-0.686) USER MOD Single : A 57 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -74:sc= -0.533 USER MOD Single : A 67 ASN : amide:sc= -0.979 K(o=-0.98,f=-0.046) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 154:sc= 1.13 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -3.99! C(o=-4!,f=-8.8!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -10.773 7.349 -3.343 1.00 1.46 N ATOM 2 CA GLY A 10 -10.486 6.767 -2.011 1.00 1.08 C ATOM 3 C GLY A 10 -10.758 5.281 -1.974 1.00 0.90 C ATOM 4 O GLY A 10 -11.193 4.701 -2.967 1.00 1.21 O ATOM 0 HA2 GLY A 10 -9.444 6.952 -1.751 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -11.095 7.266 -1.258 1.00 1.08 H new ATOM 8 N THR A 11 -10.474 4.655 -0.844 1.00 0.72 N ATOM 9 CA THR A 11 -10.823 3.268 -0.625 1.00 0.56 C ATOM 10 C THR A 11 -11.269 3.104 0.821 1.00 0.60 C ATOM 11 O THR A 11 -11.906 3.995 1.377 1.00 1.21 O ATOM 12 CB THR A 11 -9.648 2.321 -0.932 1.00 0.62 C ATOM 13 OG1 THR A 11 -8.677 2.988 -1.748 1.00 0.87 O ATOM 14 CG2 THR A 11 -10.148 1.078 -1.653 1.00 0.53 C ATOM 0 H THR A 11 -9.997 5.095 -0.057 1.00 0.72 H new ATOM 0 HA THR A 11 -11.631 3.000 -1.306 1.00 0.56 H new ATOM 0 HB THR A 11 -9.186 2.027 0.010 1.00 0.62 H new ATOM 0 HG1 THR A 11 -8.221 2.332 -2.316 1.00 0.87 H new ATOM 0 HG21 THR A 11 -9.307 0.417 -1.864 1.00 0.53 H new ATOM 0 HG22 THR A 11 -10.870 0.558 -1.023 1.00 0.53 H new ATOM 0 HG23 THR A 11 -10.626 1.368 -2.589 1.00 0.53 H new ATOM 22 N TYR A 12 -10.924 1.986 1.426 1.00 0.44 N ATOM 23 CA TYR A 12 -11.377 1.671 2.770 1.00 0.37 C ATOM 24 C TYR A 12 -10.291 0.912 3.514 1.00 0.37 C ATOM 25 O TYR A 12 -9.155 0.820 3.041 1.00 0.41 O ATOM 26 CB TYR A 12 -12.614 0.791 2.714 1.00 0.41 C ATOM 27 CG TYR A 12 -13.550 1.118 1.588 1.00 0.47 C ATOM 28 CD1 TYR A 12 -14.556 2.046 1.769 1.00 0.56 C ATOM 29 CD2 TYR A 12 -13.434 0.500 0.360 1.00 0.57 C ATOM 30 CE1 TYR A 12 -15.428 2.355 0.761 1.00 0.64 C ATOM 31 CE2 TYR A 12 -14.304 0.801 -0.668 1.00 0.67 C ATOM 32 CZ TYR A 12 -15.251 1.711 -0.513 1.00 0.66 C ATOM 33 OH TYR A 12 -16.180 2.036 -1.480 1.00 0.79 O ATOM 0 H TYR A 12 -10.327 1.274 1.006 1.00 0.44 H new ATOM 0 HA TYR A 12 -11.607 2.605 3.282 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.302 -0.249 2.622 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -13.153 0.880 3.657 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -14.657 2.538 2.725 1.00 0.56 H new ATOM 0 HD2 TYR A 12 -12.653 -0.228 0.201 1.00 0.57 H new ATOM 0 HE1 TYR A 12 -16.228 3.064 0.918 1.00 0.64 H new ATOM 0 HE2 TYR A 12 -14.210 0.286 -1.613 1.00 0.67 H new ATOM 0 HH TYR A 12 -15.975 1.551 -2.307 1.00 0.79 H new ATOM 43 N ARG A 13 -10.655 0.354 4.659 1.00 0.38 N ATOM 44 CA ARG A 13 -9.817 -0.613 5.350 1.00 0.40 C ATOM 45 C ARG A 13 -10.665 -1.433 6.309 1.00 0.54 C ATOM 46 O ARG A 13 -11.591 -0.911 6.923 1.00 0.76 O ATOM 47 CB ARG A 13 -8.680 0.074 6.103 1.00 0.49 C ATOM 48 CG ARG A 13 -7.828 -0.891 6.914 1.00 0.61 C ATOM 49 CD ARG A 13 -6.694 -0.180 7.623 1.00 0.36 C ATOM 50 NE ARG A 13 -7.180 0.850 8.547 1.00 0.97 N ATOM 51 CZ ARG A 13 -6.794 0.962 9.821 1.00 0.99 C ATOM 52 NH1 ARG A 13 -5.952 0.081 10.349 1.00 1.29 N ATOM 53 NH2 ARG A 13 -7.263 1.952 10.572 1.00 1.67 N ATOM 0 H ARG A 13 -11.535 0.558 5.133 1.00 0.38 H new ATOM 0 HA ARG A 13 -9.370 -1.273 4.606 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -8.044 0.598 5.389 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -9.098 0.828 6.770 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -8.453 -1.400 7.648 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.421 -1.658 6.255 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -6.098 -0.908 8.173 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -6.036 0.278 6.885 1.00 0.36 H new ATOM 0 HE ARG A 13 -7.858 1.526 8.194 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -5.596 -0.688 9.781 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -5.662 0.173 11.322 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -7.918 2.626 10.176 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -6.968 2.038 11.545 1.00 1.67 H new ATOM 67 N GLY A 14 -10.375 -2.727 6.393 1.00 0.54 N ATOM 68 CA GLY A 14 -11.067 -3.588 7.337 1.00 0.68 C ATOM 69 C GLY A 14 -12.409 -4.093 6.836 1.00 0.77 C ATOM 70 O GLY A 14 -12.801 -5.218 7.139 1.00 1.39 O ATOM 0 H GLY A 14 -9.671 -3.197 5.823 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -10.431 -4.443 7.569 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -11.219 -3.042 8.268 1.00 0.68 H new ATOM 74 N ARG A 15 -13.110 -3.274 6.063 1.00 0.70 N ATOM 75 CA ARG A 15 -14.459 -3.611 5.602 1.00 0.80 C ATOM 76 C ARG A 15 -14.456 -4.598 4.433 1.00 0.91 C ATOM 77 O ARG A 15 -15.163 -4.409 3.447 1.00 1.43 O ATOM 78 CB ARG A 15 -15.231 -2.327 5.239 1.00 0.84 C ATOM 79 CG ARG A 15 -14.476 -1.368 4.326 1.00 0.83 C ATOM 80 CD ARG A 15 -14.700 -1.664 2.849 1.00 0.65 C ATOM 81 NE ARG A 15 -16.088 -1.427 2.448 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.728 -2.100 1.488 1.00 1.18 C ATOM 83 NH1 ARG A 15 -16.130 -3.091 0.841 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.979 -1.785 1.183 1.00 1.29 N ATOM 0 H ARG A 15 -12.770 -2.369 5.739 1.00 0.70 H new ATOM 0 HA ARG A 15 -14.966 -4.113 6.425 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -16.167 -2.606 4.756 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -15.491 -1.803 6.159 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -14.790 -0.346 4.539 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -13.410 -1.426 4.546 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -14.037 -1.040 2.249 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -14.435 -2.701 2.642 1.00 0.65 H new ATOM 0 HE ARG A 15 -16.603 -0.695 2.937 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -15.171 -3.347 1.075 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -16.629 -3.597 0.110 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -18.451 -1.030 1.681 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -18.470 -2.297 0.450 1.00 1.29 H new ATOM 98 N GLY A 16 -13.686 -5.668 4.555 1.00 0.78 N ATOM 99 CA GLY A 16 -13.597 -6.630 3.474 1.00 0.88 C ATOM 100 C GLY A 16 -12.900 -6.040 2.273 1.00 0.76 C ATOM 101 O GLY A 16 -13.153 -6.442 1.140 1.00 1.05 O ATOM 0 H GLY A 16 -13.124 -5.888 5.377 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -13.056 -7.513 3.814 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -14.598 -6.958 3.192 1.00 0.88 H new ATOM 105 N VAL A 17 -12.042 -5.062 2.539 1.00 0.43 N ATOM 106 CA VAL A 17 -11.332 -4.335 1.489 1.00 0.29 C ATOM 107 C VAL A 17 -10.669 -5.232 0.474 1.00 0.25 C ATOM 108 O VAL A 17 -9.955 -6.183 0.805 1.00 0.33 O ATOM 109 CB VAL A 17 -10.278 -3.363 2.044 1.00 0.23 C ATOM 110 CG1 VAL A 17 -10.937 -2.039 2.313 1.00 0.27 C ATOM 111 CG2 VAL A 17 -9.619 -3.929 3.293 1.00 0.26 C ATOM 0 H VAL A 17 -11.818 -4.750 3.484 1.00 0.43 H new ATOM 0 HA VAL A 17 -12.118 -3.769 0.989 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.485 -3.221 1.310 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.200 -1.339 2.707 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.352 -1.644 1.386 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.737 -2.172 3.041 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.878 -3.222 3.665 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -10.376 -4.098 4.059 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -9.131 -4.873 3.051 1.00 0.26 H new ATOM 121 N ALA A 18 -10.919 -4.892 -0.766 1.00 0.25 N ATOM 122 CA ALA A 18 -10.281 -5.541 -1.888 1.00 0.27 C ATOM 123 C ALA A 18 -9.335 -4.559 -2.546 1.00 0.23 C ATOM 124 O ALA A 18 -8.555 -4.918 -3.423 1.00 0.25 O ATOM 125 CB ALA A 18 -11.314 -6.048 -2.881 1.00 0.35 C ATOM 0 H ALA A 18 -11.573 -4.155 -1.028 1.00 0.25 H new ATOM 0 HA ALA A 18 -9.719 -6.406 -1.536 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -10.809 -6.532 -3.716 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -11.970 -6.765 -2.389 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -11.905 -5.210 -3.251 1.00 0.35 H new ATOM 131 N LEU A 19 -9.426 -3.305 -2.091 1.00 0.21 N ATOM 132 CA LEU A 19 -8.567 -2.224 -2.551 1.00 0.20 C ATOM 133 C LEU A 19 -8.698 -2.024 -4.067 1.00 0.25 C ATOM 134 O LEU A 19 -9.506 -2.686 -4.723 1.00 0.49 O ATOM 135 CB LEU A 19 -7.125 -2.525 -2.110 1.00 0.20 C ATOM 136 CG LEU A 19 -6.026 -1.588 -2.587 1.00 0.28 C ATOM 137 CD1 LEU A 19 -6.174 -0.224 -1.947 1.00 0.99 C ATOM 138 CD2 LEU A 19 -4.673 -2.175 -2.280 1.00 1.14 C ATOM 0 H LEU A 19 -10.106 -3.016 -1.387 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.873 -1.280 -2.101 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.104 -2.538 -1.020 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -6.876 -3.532 -2.446 1.00 0.20 H new ATOM 0 HG LEU A 19 -6.115 -1.468 -3.667 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -5.379 0.432 -2.301 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -7.141 0.201 -2.216 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -6.109 -0.322 -0.863 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -3.894 -1.495 -2.626 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -4.575 -2.321 -1.204 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -4.569 -3.134 -2.787 1.00 1.14 H new ATOM 150 N THR A 20 -7.958 -1.076 -4.613 1.00 0.37 N ATOM 151 CA THR A 20 -7.888 -0.916 -6.051 1.00 0.37 C ATOM 152 C THR A 20 -7.209 -2.148 -6.667 1.00 0.35 C ATOM 153 O THR A 20 -6.617 -2.960 -5.945 1.00 0.44 O ATOM 154 CB THR A 20 -7.173 0.401 -6.438 1.00 0.48 C ATOM 155 OG1 THR A 20 -6.805 0.407 -7.822 1.00 0.88 O ATOM 156 CG2 THR A 20 -5.952 0.633 -5.575 1.00 0.45 C ATOM 0 H THR A 20 -7.399 -0.408 -4.083 1.00 0.37 H new ATOM 0 HA THR A 20 -8.898 -0.843 -6.454 1.00 0.37 H new ATOM 0 HB THR A 20 -7.879 1.214 -6.267 1.00 0.48 H new ATOM 0 HG1 THR A 20 -5.839 0.261 -7.904 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.470 1.565 -5.870 1.00 0.45 H new ATOM 0 HG22 THR A 20 -6.252 0.694 -4.529 1.00 0.45 H new ATOM 0 HG23 THR A 20 -5.253 -0.193 -5.704 1.00 0.45 H new ATOM 164 N ASP A 21 -7.285 -2.290 -7.984 1.00 0.35 N ATOM 165 CA ASP A 21 -6.987 -3.563 -8.642 1.00 0.37 C ATOM 166 C ASP A 21 -5.545 -4.014 -8.446 1.00 0.32 C ATOM 167 O ASP A 21 -5.299 -5.079 -7.885 1.00 0.37 O ATOM 168 CB ASP A 21 -7.290 -3.455 -10.140 1.00 0.44 C ATOM 169 CG ASP A 21 -7.056 -4.757 -10.885 1.00 1.28 C ATOM 170 OD1 ASP A 21 -5.909 -4.999 -11.316 1.00 2.15 O ATOM 171 OD2 ASP A 21 -8.011 -5.549 -11.031 1.00 1.65 O ATOM 0 H ASP A 21 -7.551 -1.540 -8.622 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.623 -4.315 -8.176 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -8.327 -3.146 -10.275 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -6.666 -2.675 -10.577 1.00 0.44 H new ATOM 176 N ASP A 22 -4.599 -3.196 -8.876 1.00 0.29 N ATOM 177 CA ASP A 22 -3.199 -3.612 -8.909 1.00 0.28 C ATOM 178 C ASP A 22 -2.589 -3.604 -7.514 1.00 0.22 C ATOM 179 O ASP A 22 -1.956 -4.572 -7.099 1.00 0.22 O ATOM 180 CB ASP A 22 -2.405 -2.694 -9.839 1.00 0.38 C ATOM 181 CG ASP A 22 -0.967 -3.137 -10.025 1.00 1.06 C ATOM 182 OD1 ASP A 22 -0.712 -3.987 -10.903 1.00 1.01 O ATOM 183 OD2 ASP A 22 -0.082 -2.618 -9.317 1.00 2.05 O ATOM 0 H ASP A 22 -4.769 -2.246 -9.206 1.00 0.29 H new ATOM 0 HA ASP A 22 -3.155 -4.633 -9.288 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -2.897 -2.658 -10.811 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -2.418 -1.681 -9.438 1.00 0.38 H new ATOM 188 N GLU A 23 -2.800 -2.499 -6.815 1.00 0.23 N ATOM 189 CA GLU A 23 -2.248 -2.275 -5.477 1.00 0.24 C ATOM 190 C GLU A 23 -2.438 -3.477 -4.547 1.00 0.17 C ATOM 191 O GLU A 23 -1.533 -3.825 -3.797 1.00 0.17 O ATOM 192 CB GLU A 23 -2.873 -1.036 -4.826 1.00 0.34 C ATOM 193 CG GLU A 23 -2.528 0.300 -5.496 1.00 0.60 C ATOM 194 CD GLU A 23 -2.720 0.323 -7.007 1.00 1.17 C ATOM 195 OE1 GLU A 23 -3.802 -0.078 -7.489 1.00 2.01 O ATOM 196 OE2 GLU A 23 -1.779 0.730 -7.714 1.00 1.66 O ATOM 0 H GLU A 23 -3.364 -1.722 -7.159 1.00 0.23 H new ATOM 0 HA GLU A 23 -1.178 -2.123 -5.616 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -3.957 -1.154 -4.825 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -2.556 -0.994 -3.784 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -3.144 1.083 -5.053 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -1.490 0.546 -5.272 1.00 0.60 H new ATOM 203 N TYR A 24 -3.615 -4.094 -4.579 1.00 0.13 N ATOM 204 CA TYR A 24 -3.912 -5.220 -3.691 1.00 0.12 C ATOM 205 C TYR A 24 -3.031 -6.422 -4.042 1.00 0.12 C ATOM 206 O TYR A 24 -2.298 -6.934 -3.201 1.00 0.14 O ATOM 207 CB TYR A 24 -5.404 -5.565 -3.794 1.00 0.12 C ATOM 208 CG TYR A 24 -5.899 -6.630 -2.821 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.702 -7.981 -3.097 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.588 -6.297 -1.643 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.163 -8.964 -2.243 1.00 0.17 C ATOM 212 CE2 TYR A 24 -7.053 -7.284 -0.792 1.00 0.14 C ATOM 213 CZ TYR A 24 -6.838 -8.612 -1.095 1.00 0.15 C ATOM 214 OH TYR A 24 -7.302 -9.591 -0.244 1.00 0.22 O ATOM 0 H TYR A 24 -4.377 -3.837 -5.206 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.691 -4.945 -2.660 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -5.982 -4.655 -3.634 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.612 -5.900 -4.810 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.178 -8.266 -3.997 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.757 -5.259 -1.399 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -5.995 -10.005 -2.475 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.584 -7.014 0.109 1.00 0.14 H new ATOM 0 HH TYR A 24 -7.755 -9.174 0.519 1.00 0.22 H new ATOM 224 N ASP A 25 -3.125 -6.870 -5.282 1.00 0.14 N ATOM 225 CA ASP A 25 -2.248 -7.934 -5.785 1.00 0.18 C ATOM 226 C ASP A 25 -0.772 -7.596 -5.537 1.00 0.16 C ATOM 227 O ASP A 25 0.033 -8.453 -5.156 1.00 0.17 O ATOM 228 CB ASP A 25 -2.477 -8.168 -7.281 1.00 0.25 C ATOM 229 CG ASP A 25 -3.874 -8.665 -7.597 1.00 1.04 C ATOM 230 OD1 ASP A 25 -4.116 -9.879 -7.468 1.00 1.58 O ATOM 231 OD2 ASP A 25 -4.739 -7.848 -7.975 1.00 1.80 O ATOM 0 H ASP A 25 -3.797 -6.519 -5.965 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.495 -8.846 -5.241 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -2.298 -7.238 -7.820 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -1.749 -8.893 -7.645 1.00 0.25 H new ATOM 236 N GLU A 26 -0.419 -6.341 -5.729 1.00 0.15 N ATOM 237 CA GLU A 26 0.958 -5.917 -5.563 1.00 0.15 C ATOM 238 C GLU A 26 1.312 -5.768 -4.075 1.00 0.12 C ATOM 239 O GLU A 26 2.485 -5.716 -3.714 1.00 0.12 O ATOM 240 CB GLU A 26 1.220 -4.627 -6.336 1.00 0.22 C ATOM 241 CG GLU A 26 2.642 -4.528 -6.867 1.00 0.50 C ATOM 242 CD GLU A 26 2.950 -5.575 -7.921 1.00 0.65 C ATOM 243 OE1 GLU A 26 3.204 -6.740 -7.549 1.00 1.27 O ATOM 244 OE2 GLU A 26 2.934 -5.247 -9.124 1.00 0.59 O ATOM 0 H GLU A 26 -1.064 -5.598 -5.999 1.00 0.15 H new ATOM 0 HA GLU A 26 1.608 -6.689 -5.976 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.522 -4.562 -7.170 1.00 0.22 H new ATOM 0 HB3 GLU A 26 1.021 -3.774 -5.687 1.00 0.22 H new ATOM 0 HG2 GLU A 26 2.799 -3.536 -7.290 1.00 0.50 H new ATOM 0 HG3 GLU A 26 3.343 -4.636 -6.039 1.00 0.50 H new ATOM 251 N TRP A 27 0.299 -5.690 -3.211 1.00 0.11 N ATOM 252 CA TRP A 27 0.514 -5.787 -1.764 1.00 0.10 C ATOM 253 C TRP A 27 1.089 -7.151 -1.433 1.00 0.10 C ATOM 254 O TRP A 27 1.893 -7.298 -0.510 1.00 0.11 O ATOM 255 CB TRP A 27 -0.794 -5.561 -0.988 1.00 0.10 C ATOM 256 CG TRP A 27 -0.950 -6.421 0.243 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.349 -6.264 1.469 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.779 -7.582 0.357 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.771 -7.247 2.326 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.648 -8.063 1.669 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.625 -8.258 -0.524 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.333 -9.182 2.121 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.303 -9.372 -0.075 1.00 0.16 C ATOM 264 CH2 TRP A 27 -3.156 -9.823 1.239 1.00 0.16 C ATOM 0 H TRP A 27 -0.675 -5.561 -3.485 1.00 0.11 H new ATOM 0 HA TRP A 27 1.216 -5.008 -1.464 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -0.850 -4.513 -0.693 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.635 -5.749 -1.656 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.352 -5.482 1.720 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.478 -7.352 3.297 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.747 -7.914 -1.541 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -2.219 -9.534 3.136 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.958 -9.904 -0.750 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.704 -10.695 1.564 1.00 0.16 H new ATOM 275 N ARG A 28 0.671 -8.147 -2.199 1.00 0.12 N ATOM 276 CA ARG A 28 1.216 -9.483 -2.064 1.00 0.13 C ATOM 277 C ARG A 28 2.705 -9.450 -2.403 1.00 0.13 C ATOM 278 O ARG A 28 3.497 -10.228 -1.869 1.00 0.15 O ATOM 279 CB ARG A 28 0.476 -10.460 -2.978 1.00 0.16 C ATOM 280 CG ARG A 28 -1.037 -10.442 -2.822 1.00 0.19 C ATOM 281 CD ARG A 28 -1.694 -11.423 -3.777 1.00 0.53 C ATOM 282 NE ARG A 28 -1.207 -11.258 -5.147 1.00 1.32 N ATOM 283 CZ ARG A 28 -1.705 -11.898 -6.203 1.00 1.90 C ATOM 284 NH1 ARG A 28 -2.733 -12.728 -6.061 1.00 1.88 N ATOM 285 NH2 ARG A 28 -1.168 -11.705 -7.402 1.00 2.63 N ATOM 0 H ARG A 28 -0.044 -8.052 -2.920 1.00 0.12 H new ATOM 0 HA ARG A 28 1.087 -9.825 -1.037 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.725 -10.230 -4.014 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.838 -11.469 -2.780 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.303 -10.694 -1.796 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.414 -9.437 -3.011 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -1.499 -12.442 -3.442 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -2.775 -11.282 -3.756 1.00 0.53 H new ATOM 0 HE ARG A 28 -0.435 -10.610 -5.303 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -3.144 -12.877 -5.140 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -3.111 -13.216 -6.873 1.00 1.88 H new ATOM 0 HH21 ARG A 28 -0.378 -11.069 -7.511 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -1.546 -12.193 -8.214 1.00 2.63 H new ATOM 299 N GLU A 29 3.082 -8.541 -3.301 1.00 0.13 N ATOM 300 CA GLU A 29 4.500 -8.263 -3.547 1.00 0.14 C ATOM 301 C GLU A 29 5.105 -7.403 -2.436 1.00 0.12 C ATOM 302 O GLU A 29 6.269 -7.562 -2.101 1.00 0.13 O ATOM 303 CB GLU A 29 4.721 -7.593 -4.882 1.00 0.17 C ATOM 304 CG GLU A 29 6.195 -7.396 -5.186 1.00 0.22 C ATOM 305 CD GLU A 29 7.048 -8.618 -4.926 1.00 0.62 C ATOM 306 OE1 GLU A 29 6.691 -9.714 -5.409 1.00 0.84 O ATOM 307 OE2 GLU A 29 8.093 -8.484 -4.257 1.00 0.97 O ATOM 0 H GLU A 29 2.436 -7.989 -3.865 1.00 0.13 H new ATOM 0 HA GLU A 29 5.004 -9.229 -3.559 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.267 -8.195 -5.669 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.218 -6.626 -4.890 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.304 -7.106 -6.231 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.572 -6.569 -4.585 1.00 0.22 H new ATOM 314 N HIS A 30 4.334 -6.475 -1.876 1.00 0.12 N ATOM 315 CA HIS A 30 4.800 -5.719 -0.710 1.00 0.11 C ATOM 316 C HIS A 30 5.223 -6.699 0.376 1.00 0.12 C ATOM 317 O HIS A 30 6.242 -6.503 1.037 1.00 0.13 O ATOM 318 CB HIS A 30 3.713 -4.758 -0.191 1.00 0.11 C ATOM 319 CG HIS A 30 4.082 -3.993 1.059 1.00 0.11 C ATOM 320 ND1 HIS A 30 3.154 -3.551 1.977 1.00 0.11 N ATOM 321 CD2 HIS A 30 5.280 -3.570 1.524 1.00 0.14 C ATOM 322 CE1 HIS A 30 3.772 -2.889 2.945 1.00 0.11 C ATOM 323 NE2 HIS A 30 5.059 -2.890 2.690 1.00 0.13 N ATOM 0 H HIS A 30 3.399 -6.229 -2.201 1.00 0.12 H new ATOM 0 HA HIS A 30 5.653 -5.106 -1.001 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.474 -4.044 -0.979 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.807 -5.331 0.006 1.00 0.11 H new ATOM 0 HD2 HIS A 30 6.239 -3.739 1.058 1.00 0.14 H new ATOM 0 HE1 HIS A 30 3.297 -2.427 3.798 1.00 0.11 H new ATOM 0 HE2 HIS A 30 5.778 -2.454 3.268 1.00 0.13 H new ATOM 332 N ASN A 31 4.429 -7.756 0.529 1.00 0.14 N ATOM 333 CA ASN A 31 4.755 -8.875 1.409 1.00 0.17 C ATOM 334 C ASN A 31 6.139 -9.420 1.078 1.00 0.16 C ATOM 335 O ASN A 31 6.992 -9.575 1.952 1.00 0.18 O ATOM 336 CB ASN A 31 3.707 -9.981 1.235 1.00 0.23 C ATOM 337 CG ASN A 31 3.938 -11.180 2.137 1.00 0.88 C ATOM 338 OD1 ASN A 31 4.717 -12.075 1.813 1.00 1.78 O ATOM 339 ND2 ASN A 31 3.228 -11.229 3.253 1.00 1.54 N ATOM 0 H ASN A 31 3.538 -7.861 0.044 1.00 0.14 H new ATOM 0 HA ASN A 31 4.753 -8.529 2.443 1.00 0.17 H new ATOM 0 HB2 ASN A 31 2.718 -9.569 1.437 1.00 0.23 H new ATOM 0 HB3 ASN A 31 3.708 -10.312 0.196 1.00 0.23 H new ATOM 0 HD21 ASN A 31 3.317 -12.029 3.879 1.00 1.54 H new ATOM 0 HD22 ASN A 31 2.592 -10.466 3.487 1.00 1.54 H new ATOM 346 N ALA A 32 6.349 -9.665 -0.203 1.00 0.17 N ATOM 347 CA ALA A 32 7.586 -10.237 -0.705 1.00 0.18 C ATOM 348 C ALA A 32 8.767 -9.279 -0.567 1.00 0.16 C ATOM 349 O ALA A 32 9.760 -9.585 0.095 1.00 0.19 O ATOM 350 CB ALA A 32 7.400 -10.616 -2.161 1.00 0.19 C ATOM 0 H ALA A 32 5.660 -9.471 -0.930 1.00 0.17 H new ATOM 0 HA ALA A 32 7.816 -11.118 -0.106 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.324 -11.046 -2.546 1.00 0.19 H new ATOM 0 HB2 ALA A 32 6.596 -11.347 -2.247 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.145 -9.727 -2.739 1.00 0.19 H new ATOM 356 N SER A 33 8.649 -8.128 -1.209 1.00 0.13 N ATOM 357 CA SER A 33 9.745 -7.176 -1.323 1.00 0.14 C ATOM 358 C SER A 33 10.246 -6.684 0.034 1.00 0.18 C ATOM 359 O SER A 33 11.443 -6.476 0.212 1.00 0.27 O ATOM 360 CB SER A 33 9.306 -5.985 -2.180 1.00 0.13 C ATOM 361 OG SER A 33 10.373 -5.078 -2.385 1.00 0.17 O ATOM 0 H SER A 33 7.789 -7.826 -1.667 1.00 0.13 H new ATOM 0 HA SER A 33 10.576 -7.697 -1.798 1.00 0.14 H new ATOM 0 HB2 SER A 33 8.940 -6.342 -3.142 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.477 -5.471 -1.694 1.00 0.13 H new ATOM 0 HG SER A 33 10.554 -4.997 -3.345 1.00 0.17 H new ATOM 367 N ARG A 34 9.349 -6.497 0.994 1.00 0.19 N ATOM 368 CA ARG A 34 9.751 -5.929 2.274 1.00 0.23 C ATOM 369 C ARG A 34 9.981 -7.006 3.330 1.00 0.26 C ATOM 370 O ARG A 34 10.235 -6.692 4.492 1.00 0.31 O ATOM 371 CB ARG A 34 8.737 -4.894 2.748 1.00 0.22 C ATOM 372 CG ARG A 34 8.626 -3.696 1.813 1.00 0.23 C ATOM 373 CD ARG A 34 9.981 -3.089 1.483 1.00 0.27 C ATOM 374 NE ARG A 34 10.711 -2.643 2.666 1.00 0.34 N ATOM 375 CZ ARG A 34 11.880 -2.002 2.616 1.00 0.71 C ATOM 376 NH1 ARG A 34 12.443 -1.728 1.444 1.00 1.04 N ATOM 377 NH2 ARG A 34 12.485 -1.635 3.736 1.00 0.86 N ATOM 0 H ARG A 34 8.358 -6.725 0.914 1.00 0.19 H new ATOM 0 HA ARG A 34 10.706 -5.425 2.124 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.759 -5.367 2.840 1.00 0.22 H new ATOM 0 HB3 ARG A 34 9.018 -4.547 3.742 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.134 -4.004 0.890 1.00 0.23 H new ATOM 0 HG3 ARG A 34 7.994 -2.937 2.273 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.582 -3.825 0.948 1.00 0.27 H new ATOM 0 HD3 ARG A 34 9.840 -2.243 0.810 1.00 0.27 H new ATOM 0 HE ARG A 34 10.304 -2.832 3.582 1.00 0.34 H new ATOM 0 HH11 ARG A 34 11.981 -2.008 0.579 1.00 1.04 H new ATOM 0 HH12 ARG A 34 13.337 -1.238 1.410 1.00 1.04 H new ATOM 0 HH21 ARG A 34 12.057 -1.842 4.638 1.00 0.86 H new ATOM 0 HH22 ARG A 34 13.379 -1.145 3.696 1.00 0.86 H new ATOM 391 N LYS A 35 9.881 -8.272 2.916 1.00 0.26 N ATOM 392 CA LYS A 35 10.203 -9.418 3.776 1.00 0.30 C ATOM 393 C LYS A 35 9.333 -9.452 5.025 1.00 0.34 C ATOM 394 O LYS A 35 9.711 -10.023 6.050 1.00 0.58 O ATOM 395 CB LYS A 35 11.684 -9.428 4.170 1.00 0.33 C ATOM 396 CG LYS A 35 12.619 -9.879 3.056 1.00 0.54 C ATOM 397 CD LYS A 35 12.771 -8.824 1.972 1.00 1.10 C ATOM 398 CE LYS A 35 13.594 -9.339 0.803 1.00 0.95 C ATOM 399 NZ LYS A 35 14.953 -9.774 1.221 1.00 1.27 N ATOM 0 H LYS A 35 9.576 -8.533 1.978 1.00 0.26 H new ATOM 0 HA LYS A 35 9.994 -10.313 3.190 1.00 0.30 H new ATOM 0 HB2 LYS A 35 11.971 -8.426 4.488 1.00 0.33 H new ATOM 0 HB3 LYS A 35 11.816 -10.085 5.029 1.00 0.33 H new ATOM 0 HG2 LYS A 35 13.598 -10.109 3.476 1.00 0.54 H new ATOM 0 HG3 LYS A 35 12.237 -10.799 2.614 1.00 0.54 H new ATOM 0 HD2 LYS A 35 11.786 -8.520 1.618 1.00 1.10 H new ATOM 0 HD3 LYS A 35 13.247 -7.937 2.390 1.00 1.10 H new ATOM 0 HE2 LYS A 35 13.074 -10.175 0.336 1.00 0.95 H new ATOM 0 HE3 LYS A 35 13.681 -8.556 0.049 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 15.523 -9.989 0.378 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 15.410 -9.013 1.763 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 14.878 -10.625 1.814 1.00 1.27 H new ATOM 413 N LEU A 36 8.173 -8.833 4.932 1.00 0.26 N ATOM 414 CA LEU A 36 7.206 -8.831 6.006 1.00 0.31 C ATOM 415 C LEU A 36 6.074 -9.780 5.661 1.00 0.34 C ATOM 416 O LEU A 36 6.126 -10.481 4.654 1.00 0.36 O ATOM 417 CB LEU A 36 6.675 -7.402 6.227 1.00 0.32 C ATOM 418 CG LEU A 36 6.661 -6.530 4.976 1.00 0.26 C ATOM 419 CD1 LEU A 36 5.713 -7.098 3.953 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.277 -5.108 5.307 1.00 0.30 C ATOM 0 H LEU A 36 7.876 -8.316 4.105 1.00 0.26 H new ATOM 0 HA LEU A 36 7.677 -9.167 6.930 1.00 0.31 H new ATOM 0 HB2 LEU A 36 5.661 -7.462 6.623 1.00 0.32 H new ATOM 0 HB3 LEU A 36 7.286 -6.915 6.987 1.00 0.32 H new ATOM 0 HG LEU A 36 7.669 -6.522 4.561 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.713 -6.465 3.066 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.031 -8.104 3.681 1.00 0.26 H new ATOM 0 HD13 LEU A 36 4.707 -7.136 4.371 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.276 -4.510 4.396 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.282 -5.094 5.752 1.00 0.30 H new ATOM 0 HD23 LEU A 36 6.996 -4.692 6.013 1.00 0.30 H new ATOM 432 N ASP A 37 5.054 -9.784 6.480 1.00 0.41 N ATOM 433 CA ASP A 37 3.923 -10.681 6.294 1.00 0.47 C ATOM 434 C ASP A 37 2.652 -9.915 6.592 1.00 0.51 C ATOM 435 O ASP A 37 1.660 -10.454 7.082 1.00 1.00 O ATOM 436 CB ASP A 37 4.062 -11.911 7.203 1.00 0.54 C ATOM 437 CG ASP A 37 3.032 -12.985 6.908 1.00 0.68 C ATOM 438 OD1 ASP A 37 2.873 -13.364 5.726 1.00 0.73 O ATOM 439 OD2 ASP A 37 2.386 -13.468 7.861 1.00 0.85 O ATOM 0 H ASP A 37 4.976 -9.173 7.293 1.00 0.41 H new ATOM 0 HA ASP A 37 3.892 -11.042 5.266 1.00 0.47 H new ATOM 0 HB2 ASP A 37 5.061 -12.331 7.086 1.00 0.54 H new ATOM 0 HB3 ASP A 37 3.967 -11.600 8.243 1.00 0.54 H new ATOM 444 N LEU A 38 2.719 -8.632 6.281 1.00 0.26 N ATOM 445 CA LEU A 38 1.656 -7.692 6.575 1.00 0.26 C ATOM 446 C LEU A 38 0.351 -8.098 5.900 1.00 0.26 C ATOM 447 O LEU A 38 0.350 -8.686 4.814 1.00 0.32 O ATOM 448 CB LEU A 38 2.067 -6.296 6.107 1.00 0.32 C ATOM 449 CG LEU A 38 1.572 -5.903 4.734 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.564 -4.398 4.625 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.435 -6.522 3.650 1.00 0.34 C ATOM 0 H LEU A 38 3.522 -8.211 5.813 1.00 0.26 H new ATOM 0 HA LEU A 38 1.490 -7.690 7.652 1.00 0.26 H new ATOM 0 HB2 LEU A 38 1.701 -5.566 6.830 1.00 0.32 H new ATOM 0 HB3 LEU A 38 3.155 -6.234 6.114 1.00 0.32 H new ATOM 0 HG LEU A 38 0.558 -6.278 4.595 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.208 -4.107 3.637 1.00 0.26 H new ATOM 0 HD12 LEU A 38 0.904 -3.982 5.386 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.574 -4.017 4.773 1.00 0.26 H new ATOM 0 HD21 LEU A 38 2.059 -6.225 2.671 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.463 -6.179 3.763 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.404 -7.608 3.736 1.00 0.34 H new ATOM 463 N SER A 39 -0.753 -7.775 6.542 1.00 0.22 N ATOM 464 CA SER A 39 -2.058 -8.026 5.972 1.00 0.21 C ATOM 465 C SER A 39 -2.463 -6.851 5.089 1.00 0.17 C ATOM 466 O SER A 39 -1.770 -5.829 5.071 1.00 0.25 O ATOM 467 CB SER A 39 -3.079 -8.255 7.080 1.00 0.29 C ATOM 468 OG SER A 39 -2.619 -9.236 7.996 1.00 0.64 O ATOM 0 H SER A 39 -0.771 -7.336 7.463 1.00 0.22 H new ATOM 0 HA SER A 39 -2.020 -8.926 5.358 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.267 -7.319 7.607 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.027 -8.572 6.646 1.00 0.29 H new ATOM 0 HG SER A 39 -3.289 -9.366 8.700 1.00 0.64 H new ATOM 474 N VAL A 40 -3.560 -6.971 4.360 1.00 0.18 N ATOM 475 CA VAL A 40 -3.892 -5.970 3.371 1.00 0.15 C ATOM 476 C VAL A 40 -4.240 -4.643 4.019 1.00 0.15 C ATOM 477 O VAL A 40 -3.786 -3.605 3.556 1.00 0.13 O ATOM 478 CB VAL A 40 -5.026 -6.433 2.430 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.400 -5.923 2.849 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.699 -6.000 1.031 1.00 0.17 C ATOM 0 H VAL A 40 -4.225 -7.741 4.435 1.00 0.18 H new ATOM 0 HA VAL A 40 -3.000 -5.827 2.761 1.00 0.15 H new ATOM 0 HB VAL A 40 -5.086 -7.520 2.487 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -7.152 -6.284 2.147 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.634 -6.287 3.849 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.399 -4.833 2.851 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.492 -6.321 0.356 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.611 -4.914 0.997 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.756 -6.450 0.722 1.00 0.17 H new ATOM 490 N GLU A 41 -5.011 -4.687 5.100 1.00 0.17 N ATOM 491 CA GLU A 41 -5.425 -3.472 5.788 1.00 0.17 C ATOM 492 C GLU A 41 -4.218 -2.570 6.036 1.00 0.14 C ATOM 493 O GLU A 41 -4.236 -1.388 5.692 1.00 0.14 O ATOM 494 CB GLU A 41 -6.105 -3.813 7.115 1.00 0.24 C ATOM 495 CG GLU A 41 -7.302 -4.740 6.980 1.00 0.30 C ATOM 496 CD GLU A 41 -7.796 -5.253 8.320 1.00 0.46 C ATOM 497 OE1 GLU A 41 -8.458 -4.484 9.047 1.00 0.82 O ATOM 498 OE2 GLU A 41 -7.533 -6.428 8.651 1.00 0.65 O ATOM 0 H GLU A 41 -5.361 -5.550 5.517 1.00 0.17 H new ATOM 0 HA GLU A 41 -6.139 -2.943 5.156 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.373 -4.276 7.777 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.428 -2.888 7.594 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -8.111 -4.211 6.477 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -7.032 -5.586 6.348 1.00 0.30 H new ATOM 505 N ASP A 42 -3.175 -3.148 6.627 1.00 0.15 N ATOM 506 CA ASP A 42 -1.917 -2.450 6.859 1.00 0.16 C ATOM 507 C ASP A 42 -1.353 -1.839 5.574 1.00 0.13 C ATOM 508 O ASP A 42 -0.866 -0.706 5.588 1.00 0.16 O ATOM 509 CB ASP A 42 -0.889 -3.411 7.461 1.00 0.23 C ATOM 510 CG ASP A 42 -1.315 -3.967 8.804 1.00 0.43 C ATOM 511 OD1 ASP A 42 -2.004 -5.008 8.827 1.00 0.57 O ATOM 512 OD2 ASP A 42 -0.960 -3.375 9.845 1.00 0.66 O ATOM 0 H ASP A 42 -3.180 -4.113 6.958 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.120 -1.636 7.555 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.722 -4.236 6.769 1.00 0.23 H new ATOM 0 HB3 ASP A 42 0.063 -2.892 7.574 1.00 0.23 H new ATOM 517 N PHE A 43 -1.407 -2.586 4.469 1.00 0.11 N ATOM 518 CA PHE A 43 -0.952 -2.067 3.178 1.00 0.10 C ATOM 519 C PHE A 43 -1.781 -0.868 2.795 1.00 0.08 C ATOM 520 O PHE A 43 -1.254 0.193 2.457 1.00 0.09 O ATOM 521 CB PHE A 43 -1.074 -3.115 2.062 1.00 0.12 C ATOM 522 CG PHE A 43 -0.758 -2.572 0.677 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.749 -1.986 -0.094 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.527 -2.661 0.132 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.471 -1.502 -1.361 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.797 -2.188 -1.129 1.00 0.13 C ATOM 527 CZ PHE A 43 -0.162 -1.546 -1.845 1.00 0.17 C ATOM 0 H PHE A 43 -1.758 -3.543 4.442 1.00 0.11 H new ATOM 0 HA PHE A 43 0.098 -1.797 3.288 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.401 -3.945 2.280 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -2.087 -3.517 2.063 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.752 -1.906 0.299 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.320 -3.109 0.712 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -2.262 -1.093 -1.972 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.780 -2.328 -1.555 1.00 0.13 H new ATOM 0 HZ PHE A 43 0.086 -1.072 -2.783 1.00 0.17 H new ATOM 537 N LEU A 44 -3.086 -1.075 2.836 1.00 0.09 N ATOM 538 CA LEU A 44 -4.050 -0.079 2.415 1.00 0.11 C ATOM 539 C LEU A 44 -3.821 1.203 3.186 1.00 0.11 C ATOM 540 O LEU A 44 -3.984 2.276 2.634 1.00 0.14 O ATOM 541 CB LEU A 44 -5.494 -0.605 2.604 1.00 0.13 C ATOM 542 CG LEU A 44 -5.738 -2.047 2.141 1.00 0.14 C ATOM 543 CD1 LEU A 44 -7.172 -2.260 1.735 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.838 -2.426 0.998 1.00 0.15 C ATOM 0 H LEU A 44 -3.507 -1.944 3.164 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.917 0.128 1.353 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.753 -0.532 3.660 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -6.175 0.052 2.063 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.510 -2.687 2.994 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.309 -3.292 1.413 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.825 -2.055 2.584 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.422 -1.587 0.914 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -5.042 -3.454 0.700 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -5.021 -1.760 0.155 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.797 -2.338 1.310 1.00 0.15 H new ATOM 556 N MET A 45 -3.410 1.083 4.445 1.00 0.12 N ATOM 557 CA MET A 45 -3.026 2.252 5.247 1.00 0.14 C ATOM 558 C MET A 45 -1.818 2.962 4.647 1.00 0.11 C ATOM 559 O MET A 45 -1.883 4.140 4.309 1.00 0.12 O ATOM 560 CB MET A 45 -2.654 1.838 6.671 1.00 0.20 C ATOM 561 CG MET A 45 -3.726 1.064 7.395 1.00 0.32 C ATOM 562 SD MET A 45 -3.169 0.452 8.997 1.00 0.55 S ATOM 563 CE MET A 45 -2.869 1.990 9.865 1.00 1.27 C ATOM 0 H MET A 45 -3.333 0.192 4.936 1.00 0.12 H new ATOM 0 HA MET A 45 -3.887 2.920 5.256 1.00 0.14 H new ATOM 0 HB2 MET A 45 -1.748 1.233 6.635 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.418 2.733 7.247 1.00 0.20 H new ATOM 0 HG2 MET A 45 -4.598 1.702 7.536 1.00 0.32 H new ATOM 0 HG3 MET A 45 -4.043 0.223 6.778 1.00 0.32 H new ATOM 0 HE1 MET A 45 -3.320 1.942 10.856 1.00 1.27 H new ATOM 0 HE2 MET A 45 -1.795 2.149 9.962 1.00 1.27 H new ATOM 0 HE3 MET A 45 -3.309 2.815 9.305 1.00 1.27 H new ATOM 573 N LEU A 46 -0.712 2.231 4.547 1.00 0.10 N ATOM 574 CA LEU A 46 0.533 2.764 3.990 1.00 0.11 C ATOM 575 C LEU A 46 0.303 3.458 2.661 1.00 0.12 C ATOM 576 O LEU A 46 0.702 4.609 2.474 1.00 0.14 O ATOM 577 CB LEU A 46 1.564 1.654 3.795 1.00 0.12 C ATOM 578 CG LEU A 46 1.867 0.813 5.027 1.00 0.12 C ATOM 579 CD1 LEU A 46 3.090 -0.046 4.793 1.00 0.14 C ATOM 580 CD2 LEU A 46 2.064 1.700 6.237 1.00 0.12 C ATOM 0 H LEU A 46 -0.650 1.258 4.847 1.00 0.10 H new ATOM 0 HA LEU A 46 0.909 3.493 4.708 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.213 0.992 3.003 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.494 2.104 3.447 1.00 0.12 H new ATOM 0 HG LEU A 46 1.017 0.157 5.216 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.293 -0.641 5.684 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.912 -0.709 3.946 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.948 0.592 4.580 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.280 1.083 7.109 1.00 0.12 H new ATOM 0 HD22 LEU A 46 2.897 2.380 6.058 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.157 2.277 6.416 1.00 0.12 H new ATOM 592 N ARG A 47 -0.352 2.762 1.748 1.00 0.12 N ATOM 593 CA ARG A 47 -0.602 3.314 0.431 1.00 0.15 C ATOM 594 C ARG A 47 -1.563 4.491 0.538 1.00 0.15 C ATOM 595 O ARG A 47 -1.411 5.480 -0.157 1.00 0.20 O ATOM 596 CB ARG A 47 -1.135 2.240 -0.528 1.00 0.25 C ATOM 597 CG ARG A 47 -2.397 1.555 -0.063 1.00 0.91 C ATOM 598 CD ARG A 47 -3.555 1.868 -0.986 1.00 0.40 C ATOM 599 NE ARG A 47 -3.630 3.300 -1.275 1.00 1.16 N ATOM 600 CZ ARG A 47 -4.693 3.922 -1.769 1.00 1.30 C ATOM 601 NH1 ARG A 47 -5.793 3.249 -2.078 1.00 1.51 N ATOM 602 NH2 ARG A 47 -4.645 5.231 -1.952 1.00 2.08 N ATOM 0 H ARG A 47 -0.717 1.821 1.894 1.00 0.12 H new ATOM 0 HA ARG A 47 0.340 3.674 0.017 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -1.323 2.699 -1.499 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -0.361 1.487 -0.676 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -2.238 0.477 -0.026 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -2.638 1.877 0.950 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.442 1.312 -1.917 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -4.488 1.537 -0.529 1.00 0.40 H new ATOM 0 HE ARG A 47 -2.802 3.863 -1.082 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -5.830 2.239 -1.937 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -6.602 3.741 -2.457 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -3.799 5.748 -1.714 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -5.454 5.723 -2.331 1.00 2.08 H new ATOM 616 N HIS A 48 -2.581 4.332 1.374 1.00 0.14 N ATOM 617 CA HIS A 48 -3.505 5.412 1.695 1.00 0.15 C ATOM 618 C HIS A 48 -2.746 6.672 2.060 1.00 0.17 C ATOM 619 O HIS A 48 -2.753 7.623 1.304 1.00 0.20 O ATOM 620 CB HIS A 48 -4.419 5.017 2.855 1.00 0.18 C ATOM 621 CG HIS A 48 -5.802 4.606 2.463 1.00 0.21 C ATOM 622 ND1 HIS A 48 -6.817 4.438 3.379 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.323 4.278 1.261 1.00 0.21 C ATOM 624 CE1 HIS A 48 -7.902 4.019 2.761 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.630 3.912 1.472 1.00 0.31 N ATOM 0 H HIS A 48 -2.789 3.453 1.848 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.114 5.603 0.811 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -3.954 4.196 3.400 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.489 5.858 3.545 1.00 0.18 H new ATOM 0 HD1 HIS A 48 -6.740 4.611 4.381 1.00 0.41 H new ATOM 0 HD2 HIS A 48 -5.808 4.299 0.312 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -8.851 3.800 3.228 1.00 0.47 H new ATOM 634 N ARG A 49 -2.009 6.643 3.157 1.00 0.17 N ATOM 635 CA ARG A 49 -1.395 7.859 3.660 1.00 0.18 C ATOM 636 C ARG A 49 -0.502 8.471 2.591 1.00 0.22 C ATOM 637 O ARG A 49 -0.629 9.646 2.246 1.00 0.28 O ATOM 638 CB ARG A 49 -0.555 7.581 4.888 1.00 0.16 C ATOM 639 CG ARG A 49 -1.217 6.694 5.919 1.00 0.17 C ATOM 640 CD ARG A 49 -0.481 6.836 7.220 1.00 0.17 C ATOM 641 NE ARG A 49 -0.303 5.574 7.939 1.00 0.29 N ATOM 642 CZ ARG A 49 -0.676 5.383 9.205 1.00 0.52 C ATOM 643 NH1 ARG A 49 -1.458 6.270 9.815 1.00 0.69 N ATOM 644 NH2 ARG A 49 -0.286 4.292 9.854 1.00 0.68 N ATOM 0 H ARG A 49 -1.823 5.805 3.709 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.196 8.549 3.925 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.380 7.116 4.575 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.297 8.530 5.357 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.263 6.975 6.044 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.203 5.655 5.589 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.498 7.274 7.027 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -1.022 7.534 7.859 1.00 0.17 H new ATOM 0 HE ARG A 49 0.131 4.796 7.443 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -1.775 7.100 9.314 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -1.741 6.120 10.783 1.00 0.69 H new ATOM 0 HH21 ARG A 49 0.299 3.601 9.384 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -0.571 4.145 10.822 1.00 0.68 H new ATOM 658 N ALA A 50 0.384 7.636 2.073 1.00 0.24 N ATOM 659 CA ALA A 50 1.336 8.031 1.051 1.00 0.31 C ATOM 660 C ALA A 50 0.635 8.631 -0.162 1.00 0.35 C ATOM 661 O ALA A 50 0.928 9.757 -0.557 1.00 0.42 O ATOM 662 CB ALA A 50 2.190 6.843 0.641 1.00 0.34 C ATOM 0 H ALA A 50 0.462 6.658 2.353 1.00 0.24 H new ATOM 0 HA ALA A 50 1.982 8.801 1.473 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.900 7.153 -0.126 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.733 6.469 1.509 1.00 0.34 H new ATOM 0 HB3 ALA A 50 1.550 6.054 0.246 1.00 0.34 H new ATOM 668 N ALA A 51 -0.283 7.877 -0.756 1.00 0.34 N ATOM 669 CA ALA A 51 -0.984 8.338 -1.944 1.00 0.43 C ATOM 670 C ALA A 51 -1.883 9.539 -1.677 1.00 0.41 C ATOM 671 O ALA A 51 -2.002 10.419 -2.526 1.00 0.47 O ATOM 672 CB ALA A 51 -1.800 7.208 -2.537 1.00 0.52 C ATOM 0 H ALA A 51 -0.557 6.948 -0.435 1.00 0.34 H new ATOM 0 HA ALA A 51 -0.221 8.662 -2.652 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -2.321 7.563 -3.426 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -1.139 6.385 -2.808 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -2.528 6.861 -1.804 1.00 0.52 H new ATOM 678 N LEU A 52 -2.524 9.580 -0.512 1.00 0.36 N ATOM 679 CA LEU A 52 -3.501 10.630 -0.239 1.00 0.39 C ATOM 680 C LEU A 52 -2.809 11.920 0.183 1.00 0.40 C ATOM 681 O LEU A 52 -2.773 12.891 -0.576 1.00 0.46 O ATOM 682 CB LEU A 52 -4.498 10.204 0.844 1.00 0.39 C ATOM 683 CG LEU A 52 -5.058 8.793 0.706 1.00 0.36 C ATOM 684 CD1 LEU A 52 -5.951 8.460 1.882 1.00 0.39 C ATOM 685 CD2 LEU A 52 -5.787 8.623 -0.607 1.00 0.43 C ATOM 0 H LEU A 52 -2.388 8.911 0.246 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.050 10.805 -1.164 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -4.010 10.289 1.815 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.330 10.908 0.843 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.224 8.091 0.708 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.342 7.449 1.767 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.375 8.524 2.805 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -6.779 9.167 1.921 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.176 7.607 -0.678 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -6.613 9.332 -0.659 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.099 8.807 -1.432 1.00 0.43 H new ATOM 697 N GLY A 53 -2.259 11.928 1.392 1.00 0.36 N ATOM 698 CA GLY A 53 -1.558 13.102 1.877 1.00 0.37 C ATOM 699 C GLY A 53 -1.236 13.016 3.356 1.00 0.36 C ATOM 700 O GLY A 53 -1.410 13.987 4.094 1.00 0.55 O ATOM 0 H GLY A 53 -2.286 11.144 2.044 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -0.633 13.228 1.314 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -2.167 13.987 1.692 1.00 0.37 H new ATOM 704 N ALA A 54 -0.770 11.855 3.795 1.00 0.30 N ATOM 705 CA ALA A 54 -0.378 11.649 5.178 1.00 0.27 C ATOM 706 C ALA A 54 1.017 11.050 5.225 1.00 0.23 C ATOM 707 O ALA A 54 1.366 10.203 4.403 1.00 0.24 O ATOM 708 CB ALA A 54 -1.385 10.763 5.893 1.00 0.29 C ATOM 0 H ALA A 54 -0.654 11.033 3.203 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.362 12.608 5.696 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -1.074 10.620 6.928 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.366 11.237 5.871 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.438 9.796 5.393 1.00 0.29 H new ATOM 714 N ASP A 55 1.818 11.496 6.175 1.00 0.24 N ATOM 715 CA ASP A 55 3.230 11.136 6.201 1.00 0.24 C ATOM 716 C ASP A 55 3.620 10.437 7.500 1.00 0.21 C ATOM 717 O ASP A 55 4.652 10.749 8.102 1.00 0.25 O ATOM 718 CB ASP A 55 4.101 12.381 5.985 1.00 0.33 C ATOM 719 CG ASP A 55 4.000 12.925 4.571 1.00 1.21 C ATOM 720 OD1 ASP A 55 2.971 13.553 4.239 1.00 1.37 O ATOM 721 OD2 ASP A 55 4.946 12.732 3.779 1.00 1.93 O ATOM 0 H ASP A 55 1.520 12.105 6.937 1.00 0.24 H new ATOM 0 HA ASP A 55 3.401 10.431 5.387 1.00 0.24 H new ATOM 0 HB2 ASP A 55 3.802 13.156 6.691 1.00 0.33 H new ATOM 0 HB3 ASP A 55 5.140 12.135 6.203 1.00 0.33 H new ATOM 726 N ASP A 56 2.789 9.502 7.940 1.00 0.19 N ATOM 727 CA ASP A 56 3.147 8.635 9.058 1.00 0.22 C ATOM 728 C ASP A 56 4.252 7.680 8.617 1.00 0.17 C ATOM 729 O ASP A 56 4.186 7.127 7.525 1.00 0.21 O ATOM 730 CB ASP A 56 1.929 7.849 9.537 1.00 0.30 C ATOM 731 CG ASP A 56 2.105 7.302 10.938 1.00 0.65 C ATOM 732 OD1 ASP A 56 2.815 6.294 11.108 1.00 0.93 O ATOM 733 OD2 ASP A 56 1.529 7.884 11.881 1.00 0.86 O ATOM 0 H ASP A 56 1.866 9.324 7.543 1.00 0.19 H new ATOM 0 HA ASP A 56 3.504 9.246 9.887 1.00 0.22 H new ATOM 0 HB2 ASP A 56 1.051 8.494 9.510 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.740 7.024 8.850 1.00 0.30 H new ATOM 738 N ASN A 57 5.269 7.521 9.456 1.00 0.23 N ATOM 739 CA ASN A 57 6.499 6.820 9.091 1.00 0.20 C ATOM 740 C ASN A 57 6.313 5.501 8.342 1.00 0.17 C ATOM 741 O ASN A 57 7.025 5.258 7.371 1.00 0.18 O ATOM 742 CB ASN A 57 7.371 6.575 10.308 1.00 0.25 C ATOM 743 CG ASN A 57 6.644 5.873 11.441 1.00 0.35 C ATOM 744 OD1 ASN A 57 6.047 6.516 12.305 1.00 0.70 O ATOM 745 ND2 ASN A 57 6.697 4.551 11.455 1.00 0.47 N ATOM 0 H ASN A 57 5.266 7.875 10.413 1.00 0.23 H new ATOM 0 HA ASN A 57 6.983 7.500 8.390 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.233 5.976 10.013 1.00 0.25 H new ATOM 0 HB3 ASN A 57 7.754 7.529 10.669 1.00 0.25 H new ATOM 0 HD21 ASN A 57 6.233 4.030 12.199 1.00 0.47 H new ATOM 0 HD22 ASN A 57 7.201 4.053 10.722 1.00 0.47 H new ATOM 752 N ASP A 58 5.390 4.650 8.762 1.00 0.18 N ATOM 753 CA ASP A 58 5.241 3.355 8.099 1.00 0.19 C ATOM 754 C ASP A 58 4.854 3.576 6.643 1.00 0.16 C ATOM 755 O ASP A 58 5.342 2.907 5.730 1.00 0.19 O ATOM 756 CB ASP A 58 4.236 2.435 8.828 1.00 0.22 C ATOM 757 CG ASP A 58 2.885 3.065 9.152 1.00 1.28 C ATOM 758 OD1 ASP A 58 2.584 4.137 8.575 1.00 2.31 O ATOM 759 OD2 ASP A 58 2.130 2.521 9.979 1.00 1.35 O ATOM 0 H ASP A 58 4.748 4.820 9.536 1.00 0.18 H new ATOM 0 HA ASP A 58 6.199 2.836 8.136 1.00 0.19 H new ATOM 0 HB2 ASP A 58 4.067 1.551 8.213 1.00 0.22 H new ATOM 0 HB3 ASP A 58 4.691 2.094 9.758 1.00 0.22 H new ATOM 764 N ALA A 59 4.002 4.558 6.464 1.00 0.13 N ATOM 765 CA ALA A 59 3.570 4.991 5.151 1.00 0.11 C ATOM 766 C ALA A 59 4.684 5.673 4.371 1.00 0.12 C ATOM 767 O ALA A 59 4.710 5.598 3.145 1.00 0.13 O ATOM 768 CB ALA A 59 2.392 5.919 5.268 1.00 0.10 C ATOM 0 H ALA A 59 3.584 5.085 7.231 1.00 0.13 H new ATOM 0 HA ALA A 59 3.281 4.096 4.600 1.00 0.11 H new ATOM 0 HB1 ALA A 59 2.078 6.236 4.273 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.569 5.401 5.760 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.674 6.793 5.855 1.00 0.10 H new ATOM 774 N VAL A 60 5.609 6.338 5.057 1.00 0.14 N ATOM 775 CA VAL A 60 6.661 7.046 4.344 1.00 0.17 C ATOM 776 C VAL A 60 7.736 6.068 3.899 1.00 0.18 C ATOM 777 O VAL A 60 8.322 6.215 2.827 1.00 0.20 O ATOM 778 CB VAL A 60 7.307 8.191 5.158 1.00 0.21 C ATOM 779 CG1 VAL A 60 6.248 8.993 5.884 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.373 7.683 6.114 1.00 0.25 C ATOM 0 H VAL A 60 5.651 6.400 6.074 1.00 0.14 H new ATOM 0 HA VAL A 60 6.182 7.510 3.482 1.00 0.17 H new ATOM 0 HB VAL A 60 7.811 8.852 4.452 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.723 9.794 6.451 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.556 9.422 5.159 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.701 8.341 6.565 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.798 8.522 6.664 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.927 6.978 6.816 1.00 0.25 H new ATOM 0 HG23 VAL A 60 9.160 7.183 5.549 1.00 0.25 H new ATOM 790 N LYS A 61 7.990 5.066 4.734 1.00 0.19 N ATOM 791 CA LYS A 61 8.901 4.001 4.386 1.00 0.22 C ATOM 792 C LYS A 61 8.281 3.125 3.307 1.00 0.20 C ATOM 793 O LYS A 61 8.980 2.469 2.530 1.00 0.28 O ATOM 794 CB LYS A 61 9.218 3.216 5.642 1.00 0.29 C ATOM 795 CG LYS A 61 9.870 4.082 6.709 1.00 0.37 C ATOM 796 CD LYS A 61 9.602 3.548 8.103 1.00 0.49 C ATOM 797 CE LYS A 61 9.808 2.049 8.171 1.00 1.13 C ATOM 798 NZ LYS A 61 11.234 1.663 7.994 1.00 1.71 N ATOM 0 H LYS A 61 7.571 4.976 5.660 1.00 0.19 H new ATOM 0 HA LYS A 61 9.831 4.401 3.981 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.300 2.782 6.039 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.881 2.387 5.393 1.00 0.29 H new ATOM 0 HG2 LYS A 61 10.945 4.125 6.536 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.493 5.102 6.631 1.00 0.37 H new ATOM 0 HD2 LYS A 61 10.264 4.040 8.816 1.00 0.49 H new ATOM 0 HD3 LYS A 61 8.581 3.790 8.397 1.00 0.49 H new ATOM 0 HE2 LYS A 61 9.451 1.679 9.132 1.00 1.13 H new ATOM 0 HE3 LYS A 61 9.206 1.567 7.401 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 11.323 0.628 8.048 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 11.570 1.991 7.066 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 11.807 2.100 8.744 1.00 1.71 H new ATOM 812 N PHE A 62 6.956 3.140 3.256 1.00 0.14 N ATOM 813 CA PHE A 62 6.230 2.544 2.158 1.00 0.13 C ATOM 814 C PHE A 62 6.493 3.361 0.911 1.00 0.13 C ATOM 815 O PHE A 62 7.021 2.860 -0.069 1.00 0.15 O ATOM 816 CB PHE A 62 4.729 2.521 2.457 1.00 0.14 C ATOM 817 CG PHE A 62 3.912 1.845 1.394 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.881 0.455 1.277 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.170 2.605 0.505 1.00 0.15 C ATOM 820 CE1 PHE A 62 3.123 -0.147 0.295 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.412 2.001 -0.475 1.00 0.16 C ATOM 822 CZ PHE A 62 2.415 0.569 -0.563 1.00 0.17 C ATOM 0 H PHE A 62 6.364 3.563 3.971 1.00 0.14 H new ATOM 0 HA PHE A 62 6.564 1.516 2.014 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.565 2.013 3.407 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.376 3.545 2.578 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.455 -0.154 1.960 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.186 3.682 0.581 1.00 0.15 H new ATOM 0 HE1 PHE A 62 3.107 -1.225 0.225 1.00 0.18 H new ATOM 0 HE2 PHE A 62 1.827 2.594 -1.163 1.00 0.16 H new ATOM 0 HZ PHE A 62 1.838 0.075 -1.331 1.00 0.17 H new ATOM 832 N ARG A 63 6.136 4.636 0.990 1.00 0.12 N ATOM 833 CA ARG A 63 6.335 5.593 -0.085 1.00 0.15 C ATOM 834 C ARG A 63 7.738 5.512 -0.684 1.00 0.14 C ATOM 835 O ARG A 63 7.881 5.239 -1.874 1.00 0.16 O ATOM 836 CB ARG A 63 6.051 6.987 0.487 1.00 0.21 C ATOM 837 CG ARG A 63 6.339 8.142 -0.448 1.00 0.42 C ATOM 838 CD ARG A 63 7.673 8.786 -0.122 1.00 0.39 C ATOM 839 NE ARG A 63 7.524 10.205 0.202 1.00 0.76 N ATOM 840 CZ ARG A 63 8.451 11.132 -0.039 1.00 1.06 C ATOM 841 NH1 ARG A 63 9.578 10.805 -0.661 1.00 1.44 N ATOM 842 NH2 ARG A 63 8.237 12.390 0.324 1.00 1.37 N ATOM 0 H ARG A 63 5.693 5.038 1.816 1.00 0.12 H new ATOM 0 HA ARG A 63 5.655 5.368 -0.907 1.00 0.15 H new ATOM 0 HB2 ARG A 63 5.003 7.033 0.783 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.644 7.118 1.392 1.00 0.21 H new ATOM 0 HG2 ARG A 63 6.345 7.787 -1.479 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.544 8.884 -0.371 1.00 0.42 H new ATOM 0 HD2 ARG A 63 8.132 8.267 0.719 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.348 8.675 -0.971 1.00 0.39 H new ATOM 0 HE ARG A 63 6.654 10.505 0.641 1.00 0.76 H new ATOM 0 HH11 ARG A 63 9.737 9.842 -0.956 1.00 1.44 H new ATOM 0 HH12 ARG A 63 10.285 11.517 -0.844 1.00 1.44 H new ATOM 0 HH21 ARG A 63 7.365 12.646 0.786 1.00 1.37 H new ATOM 0 HH22 ARG A 63 8.945 13.101 0.141 1.00 1.37 H new ATOM 856 N SER A 64 8.749 5.756 0.141 1.00 0.13 N ATOM 857 CA SER A 64 10.150 5.704 -0.293 1.00 0.16 C ATOM 858 C SER A 64 10.474 4.485 -1.170 1.00 0.17 C ATOM 859 O SER A 64 10.980 4.635 -2.284 1.00 0.28 O ATOM 860 CB SER A 64 11.070 5.743 0.926 1.00 0.21 C ATOM 861 OG SER A 64 10.635 4.831 1.918 1.00 1.30 O ATOM 0 H SER A 64 8.628 5.995 1.125 1.00 0.13 H new ATOM 0 HA SER A 64 10.319 6.580 -0.918 1.00 0.16 H new ATOM 0 HB2 SER A 64 12.089 5.500 0.625 1.00 0.21 H new ATOM 0 HB3 SER A 64 11.091 6.752 1.338 1.00 0.21 H new ATOM 0 HG SER A 64 9.839 5.188 2.364 1.00 1.30 H new ATOM 867 N TRP A 65 10.180 3.288 -0.676 1.00 0.13 N ATOM 868 CA TRP A 65 10.475 2.065 -1.420 1.00 0.14 C ATOM 869 C TRP A 65 9.504 1.865 -2.584 1.00 0.13 C ATOM 870 O TRP A 65 9.920 1.642 -3.718 1.00 0.15 O ATOM 871 CB TRP A 65 10.465 0.863 -0.469 1.00 0.17 C ATOM 872 CG TRP A 65 10.048 -0.437 -1.094 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.798 -1.300 -1.836 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.756 -1.013 -1.005 1.00 0.16 C ATOM 875 NE1 TRP A 65 10.041 -2.396 -2.186 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.778 -2.232 -1.695 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.587 -0.602 -0.398 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.660 -3.051 -1.793 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.475 -1.407 -0.491 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.518 -2.623 -1.185 1.00 0.21 C ATOM 0 H TRP A 65 9.740 3.136 0.232 1.00 0.13 H new ATOM 0 HA TRP A 65 11.470 2.157 -1.855 1.00 0.14 H new ATOM 0 HB2 TRP A 65 11.464 0.743 -0.049 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.794 1.081 0.362 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.832 -1.147 -2.109 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.370 -3.198 -2.724 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.546 0.334 0.140 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.695 -3.988 -2.329 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.554 -1.096 -0.021 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.629 -3.233 -1.239 1.00 0.21 H new ATOM 891 N TRP A 66 8.221 2.008 -2.304 1.00 0.12 N ATOM 892 CA TRP A 66 7.161 1.671 -3.249 1.00 0.13 C ATOM 893 C TRP A 66 7.187 2.585 -4.463 1.00 0.12 C ATOM 894 O TRP A 66 6.927 2.152 -5.585 1.00 0.19 O ATOM 895 CB TRP A 66 5.818 1.794 -2.538 1.00 0.16 C ATOM 896 CG TRP A 66 4.647 1.297 -3.304 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.653 2.055 -3.816 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.324 -0.055 -3.623 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.722 1.268 -4.416 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.110 -0.028 -4.319 1.00 0.27 C ATOM 901 CE3 TRP A 66 4.934 -1.280 -3.390 1.00 0.30 C ATOM 902 CZ2 TRP A 66 2.490 -1.170 -4.780 1.00 0.34 C ATOM 903 CZ3 TRP A 66 4.320 -2.425 -3.850 1.00 0.38 C ATOM 904 CH2 TRP A 66 3.109 -2.361 -4.538 1.00 0.39 C ATOM 0 H TRP A 66 7.879 2.363 -1.411 1.00 0.12 H new ATOM 0 HA TRP A 66 7.315 0.651 -3.601 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.873 1.249 -1.596 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.651 2.842 -2.290 1.00 0.16 H new ATOM 0 HD1 TRP A 66 3.605 3.132 -3.757 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.869 1.599 -4.867 1.00 0.26 H new ATOM 0 HE3 TRP A 66 5.872 -1.335 -2.858 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 1.551 -1.123 -5.312 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 4.783 -3.385 -3.675 1.00 0.38 H new ATOM 0 HH2 TRP A 66 2.651 -3.275 -4.887 1.00 0.39 H new ATOM 915 N ASN A 67 7.518 3.842 -4.238 1.00 0.17 N ATOM 916 CA ASN A 67 7.532 4.831 -5.307 1.00 0.17 C ATOM 917 C ASN A 67 8.843 4.795 -6.057 1.00 0.18 C ATOM 918 O ASN A 67 9.077 5.577 -6.978 1.00 0.22 O ATOM 919 CB ASN A 67 7.311 6.222 -4.754 1.00 0.20 C ATOM 920 CG ASN A 67 5.854 6.483 -4.468 1.00 0.23 C ATOM 921 OD1 ASN A 67 5.120 6.984 -5.316 1.00 0.31 O ATOM 922 ND2 ASN A 67 5.421 6.123 -3.278 1.00 0.38 N ATOM 0 H ASN A 67 7.782 4.207 -3.323 1.00 0.17 H new ATOM 0 HA ASN A 67 6.722 4.585 -5.993 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.889 6.346 -3.839 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.680 6.960 -5.466 1.00 0.20 H new ATOM 0 HD21 ASN A 67 4.441 6.257 -3.030 1.00 0.38 H new ATOM 0 HD22 ASN A 67 6.066 5.710 -2.604 1.00 0.38 H new ATOM 929 N SER A 68 9.707 3.896 -5.653 1.00 0.18 N ATOM 930 CA SER A 68 10.966 3.720 -6.333 1.00 0.22 C ATOM 931 C SER A 68 10.825 2.598 -7.345 1.00 0.22 C ATOM 932 O SER A 68 11.586 2.489 -8.305 1.00 0.24 O ATOM 933 CB SER A 68 12.081 3.425 -5.330 1.00 0.25 C ATOM 934 OG SER A 68 13.350 3.367 -5.959 1.00 0.85 O ATOM 0 H SER A 68 9.561 3.275 -4.857 1.00 0.18 H new ATOM 0 HA SER A 68 11.234 4.638 -6.855 1.00 0.22 H new ATOM 0 HB2 SER A 68 12.091 4.196 -4.560 1.00 0.25 H new ATOM 0 HB3 SER A 68 11.879 2.478 -4.830 1.00 0.25 H new ATOM 0 HG SER A 68 14.039 3.178 -5.288 1.00 0.85 H new ATOM 940 N ARG A 69 9.816 1.781 -7.111 1.00 0.20 N ATOM 941 CA ARG A 69 9.612 0.562 -7.862 1.00 0.22 C ATOM 942 C ARG A 69 8.304 0.605 -8.650 1.00 0.24 C ATOM 943 O ARG A 69 8.294 0.572 -9.880 1.00 0.27 O ATOM 944 CB ARG A 69 9.644 -0.630 -6.914 1.00 0.22 C ATOM 945 CG ARG A 69 9.003 -0.367 -5.574 1.00 0.29 C ATOM 946 CD ARG A 69 8.480 -1.655 -4.978 1.00 0.22 C ATOM 947 NE ARG A 69 7.838 -2.481 -5.994 1.00 0.84 N ATOM 948 CZ ARG A 69 8.043 -3.792 -6.135 1.00 0.99 C ATOM 949 NH1 ARG A 69 8.906 -4.427 -5.347 1.00 0.97 N ATOM 950 NH2 ARG A 69 7.400 -4.466 -7.084 1.00 1.70 N ATOM 0 H ARG A 69 9.113 1.947 -6.391 1.00 0.20 H new ATOM 0 HA ARG A 69 10.418 0.459 -8.589 1.00 0.22 H new ATOM 0 HB2 ARG A 69 9.139 -1.471 -7.388 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.681 -0.928 -6.757 1.00 0.22 H new ATOM 0 HG2 ARG A 69 9.729 0.085 -4.899 1.00 0.29 H new ATOM 0 HG3 ARG A 69 8.187 0.346 -5.688 1.00 0.29 H new ATOM 0 HD2 ARG A 69 9.301 -2.208 -4.521 1.00 0.22 H new ATOM 0 HD3 ARG A 69 7.767 -1.429 -4.185 1.00 0.22 H new ATOM 0 HE ARG A 69 7.190 -2.027 -6.638 1.00 0.84 H new ATOM 0 HH11 ARG A 69 9.416 -3.912 -4.629 1.00 0.97 H new ATOM 0 HH12 ARG A 69 9.058 -5.429 -5.460 1.00 0.97 H new ATOM 0 HH21 ARG A 69 6.751 -3.981 -7.703 1.00 1.70 H new ATOM 0 HH22 ARG A 69 7.556 -5.468 -7.193 1.00 1.70 H new ATOM 964 N THR A 70 7.211 0.705 -7.915 1.00 0.24 N ATOM 965 CA THR A 70 5.868 0.609 -8.478 1.00 0.26 C ATOM 966 C THR A 70 5.277 1.979 -8.753 1.00 0.25 C ATOM 967 O THR A 70 5.006 2.332 -9.901 1.00 0.29 O ATOM 968 CB THR A 70 4.941 -0.104 -7.491 1.00 0.27 C ATOM 969 OG1 THR A 70 5.601 -1.250 -6.945 1.00 0.33 O ATOM 970 CG2 THR A 70 3.647 -0.535 -8.156 1.00 0.31 C ATOM 0 H THR A 70 7.226 0.856 -6.906 1.00 0.24 H new ATOM 0 HA THR A 70 5.951 0.055 -9.413 1.00 0.26 H new ATOM 0 HB THR A 70 4.698 0.599 -6.694 1.00 0.27 H new ATOM 0 HG1 THR A 70 5.222 -1.458 -6.065 1.00 0.33 H new ATOM 0 HG21 THR A 70 3.013 -1.038 -7.426 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.128 0.341 -8.545 1.00 0.31 H new ATOM 0 HG23 THR A 70 3.869 -1.218 -8.976 1.00 0.31 H new ATOM 978 N LYS A 71 5.066 2.724 -7.663 1.00 0.24 N ATOM 979 CA LYS A 71 4.493 4.070 -7.692 1.00 0.27 C ATOM 980 C LYS A 71 2.984 4.042 -7.883 1.00 0.30 C ATOM 981 O LYS A 71 2.349 5.091 -7.980 1.00 0.52 O ATOM 982 CB LYS A 71 5.125 4.919 -8.764 1.00 0.32 C ATOM 983 CG LYS A 71 6.641 4.980 -8.691 1.00 0.35 C ATOM 984 CD LYS A 71 7.231 5.800 -9.824 1.00 0.46 C ATOM 985 CE LYS A 71 6.718 7.228 -9.801 1.00 0.93 C ATOM 986 NZ LYS A 71 7.234 8.022 -10.946 1.00 1.20 N ATOM 0 H LYS A 71 5.293 2.402 -6.722 1.00 0.24 H new ATOM 0 HA LYS A 71 4.708 4.515 -6.721 1.00 0.27 H new ATOM 0 HB2 LYS A 71 4.834 4.530 -9.740 1.00 0.32 H new ATOM 0 HB3 LYS A 71 4.727 5.931 -8.693 1.00 0.32 H new ATOM 0 HG2 LYS A 71 6.941 5.412 -7.736 1.00 0.35 H new ATOM 0 HG3 LYS A 71 7.047 3.969 -8.725 1.00 0.35 H new ATOM 0 HD2 LYS A 71 8.318 5.801 -9.746 1.00 0.46 H new ATOM 0 HD3 LYS A 71 6.980 5.337 -10.779 1.00 0.46 H new ATOM 0 HE2 LYS A 71 5.628 7.222 -9.825 1.00 0.93 H new ATOM 0 HE3 LYS A 71 7.014 7.705 -8.866 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 6.860 8.991 -10.893 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 8.273 8.049 -10.909 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 6.931 7.582 -11.838 1.00 1.20 H new ATOM 1000 N MET A 72 2.443 2.822 -7.950 1.00 0.31 N ATOM 1001 CA MET A 72 1.000 2.534 -7.856 1.00 0.32 C ATOM 1002 C MET A 72 0.104 3.413 -8.729 1.00 0.39 C ATOM 1003 O MET A 72 0.549 4.073 -9.665 1.00 0.72 O ATOM 1004 CB MET A 72 0.532 2.602 -6.392 1.00 0.35 C ATOM 1005 CG MET A 72 1.046 3.797 -5.611 1.00 0.40 C ATOM 1006 SD MET A 72 0.098 5.303 -5.904 1.00 1.11 S ATOM 1007 CE MET A 72 1.035 6.477 -4.927 1.00 1.20 C ATOM 0 H MET A 72 3.008 1.982 -8.074 1.00 0.31 H new ATOM 0 HA MET A 72 0.890 1.523 -8.249 1.00 0.32 H new ATOM 0 HB2 MET A 72 -0.558 2.617 -6.375 1.00 0.35 H new ATOM 0 HB3 MET A 72 0.847 1.691 -5.883 1.00 0.35 H new ATOM 0 HG2 MET A 72 1.024 3.563 -4.547 1.00 0.40 H new ATOM 0 HG3 MET A 72 2.088 3.975 -5.876 1.00 0.40 H new ATOM 0 HE1 MET A 72 0.575 7.462 -5.003 1.00 1.20 H new ATOM 0 HE2 MET A 72 1.042 6.159 -3.884 1.00 1.20 H new ATOM 0 HE3 MET A 72 2.059 6.524 -5.298 1.00 1.20 H new ATOM 1017 N ALA A 73 -1.186 3.348 -8.424 1.00 0.48 N ATOM 1018 CA ALA A 73 -2.204 4.120 -9.096 1.00 0.56 C ATOM 1019 C ALA A 73 -3.207 4.613 -8.099 1.00 0.61 C ATOM 1020 O ALA A 73 -4.374 4.760 -8.410 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.870 3.310 -10.197 1.00 0.67 C ATOM 0 H ALA A 73 -1.553 2.744 -7.688 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.734 4.981 -9.571 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.632 3.917 -10.685 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -2.122 3.008 -10.930 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -3.334 2.423 -9.766 1.00 0.67 H new ATOM 1027 N ASN A 74 -2.691 4.913 -6.916 1.00 0.64 N ATOM 1028 CA ASN A 74 -3.479 5.371 -5.767 1.00 0.74 C ATOM 1029 C ASN A 74 -4.756 4.543 -5.607 1.00 0.92 C ATOM 1030 O ASN A 74 -4.766 3.546 -4.886 1.00 1.68 O ATOM 1031 CB ASN A 74 -3.780 6.871 -5.916 1.00 0.89 C ATOM 1032 CG ASN A 74 -4.340 7.510 -4.656 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -5.140 6.920 -3.940 1.00 2.37 O ATOM 1034 ND2 ASN A 74 -3.889 8.720 -4.359 1.00 1.58 N ATOM 0 H ASN A 74 -1.693 4.845 -6.718 1.00 0.64 H new ATOM 0 HA ASN A 74 -2.900 5.227 -4.855 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -2.864 7.390 -6.200 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -4.491 7.011 -6.730 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -4.208 9.189 -3.511 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -3.223 9.182 -4.978 1.00 1.58 H new ATOM 1041 N ASP A 75 -5.817 4.954 -6.283 1.00 0.91 N ATOM 1042 CA ASP A 75 -7.026 4.156 -6.376 1.00 0.98 C ATOM 1043 C ASP A 75 -7.732 4.449 -7.696 1.00 0.96 C ATOM 1044 O ASP A 75 -8.962 4.445 -7.777 1.00 1.14 O ATOM 1045 CB ASP A 75 -7.959 4.411 -5.181 1.00 1.22 C ATOM 1046 CG ASP A 75 -8.555 5.805 -5.155 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -7.824 6.772 -4.859 1.00 2.38 O ATOM 1048 OD2 ASP A 75 -9.772 5.939 -5.382 1.00 2.37 O ATOM 0 H ASP A 75 -5.863 5.844 -6.779 1.00 0.91 H new ATOM 0 HA ASP A 75 -6.751 3.102 -6.348 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -8.768 3.681 -5.202 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -7.404 4.246 -4.257 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.944 4.705 -8.739 1.00 0.81 N ATOM 1054 CA TYR A 76 -7.500 5.017 -10.043 1.00 0.88 C ATOM 1055 C TYR A 76 -7.788 3.736 -10.818 1.00 0.93 C ATOM 1056 O TYR A 76 -8.924 3.226 -10.721 1.00 1.47 O ATOM 1057 CB TYR A 76 -6.544 5.914 -10.823 1.00 0.91 C ATOM 1058 CG TYR A 76 -6.263 7.237 -10.142 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -7.235 8.227 -10.074 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -5.021 7.501 -9.577 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -6.980 9.436 -9.465 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -4.759 8.707 -8.963 1.00 1.23 C ATOM 1063 CZ TYR A 76 -5.751 9.659 -8.877 1.00 1.45 C ATOM 1064 OH TYR A 76 -5.484 10.883 -8.303 1.00 1.70 O ATOM 0 H TYR A 76 -5.925 4.701 -8.702 1.00 0.81 H new ATOM 0 HA TYR A 76 -8.440 5.552 -9.904 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -5.603 5.385 -10.973 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -6.963 6.105 -11.811 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -8.208 8.046 -10.506 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -4.248 6.748 -9.620 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -7.738 10.205 -9.448 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -3.780 8.905 -8.551 1.00 1.23 H new ATOM 0 HH TYR A 76 -4.577 10.879 -7.932 1.00 1.70 H new TER 1074 TYR A 76