USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 Single : A 8 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -170:sc= -1.86 USER MOD Single : A 16 ASN : amide:sc= -4.6! C(o=-4.6!,f=-15!) USER MOD Single : A 24 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.835 USER MOD Single : A 38 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.53) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -0.107 (180deg=-0.97) USER MOD Single : A 46 TYR OH : rot 122:sc= -2.82 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 168:sc= -1.25 USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.083) USER MOD Single : A 68 THR OG1 : rot 110:sc= -2.83! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -76:sc= 0.957 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 84 THR OG1 : rot -66:sc= 0.186 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.962 X(o=-0.96,f=-0.66) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -132:sc= -4.78 USER MOD Single : A 100 THR OG1 : rot -58:sc= 0.628 USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 113 LYS NZ :NH3+ -137:sc= -0.333 (180deg=-1.66!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -3.213 4.955 12.101 1.00 1.37 N ATOM 40 CA GLU A 4 -3.324 3.631 12.779 1.00 1.14 C ATOM 41 C GLU A 4 -2.521 2.572 12.019 1.00 0.89 C ATOM 42 O GLU A 4 -2.153 2.759 10.876 1.00 1.30 O ATOM 43 CB GLU A 4 -4.815 3.297 12.745 1.00 1.67 C ATOM 44 CG GLU A 4 -5.448 3.633 14.097 1.00 2.39 C ATOM 45 CD GLU A 4 -6.737 2.827 14.269 1.00 2.65 C ATOM 46 OE1 GLU A 4 -7.443 2.660 13.287 1.00 3.05 O ATOM 47 OE2 GLU A 4 -6.997 2.389 15.377 1.00 3.09 O ATOM 0 HA GLU A 4 -2.931 3.655 13.795 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.306 3.861 11.952 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -4.956 2.240 12.519 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -4.752 3.403 14.904 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -5.663 4.700 14.155 1.00 2.39 H new ATOM 54 N GLU A 5 -2.250 1.459 12.644 1.00 1.00 N ATOM 55 CA GLU A 5 -1.475 0.385 11.958 1.00 0.81 C ATOM 56 C GLU A 5 -2.148 -0.973 12.180 1.00 0.87 C ATOM 57 O GLU A 5 -2.811 -1.191 13.174 1.00 1.15 O ATOM 58 CB GLU A 5 -0.093 0.410 12.614 1.00 0.95 C ATOM 59 CG GLU A 5 0.499 1.817 12.517 1.00 1.46 C ATOM 60 CD GLU A 5 1.922 1.812 13.076 1.00 1.82 C ATOM 61 OE1 GLU A 5 2.601 0.812 12.904 1.00 2.19 O ATOM 62 OE2 GLU A 5 2.310 2.807 13.666 1.00 2.50 O ATOM 0 H GLU A 5 -2.532 1.246 13.601 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.417 0.541 10.881 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.170 0.109 13.659 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.566 -0.307 12.124 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.506 2.149 11.479 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -0.119 2.522 13.073 1.00 1.46 H new ATOM 69 N GLU A 6 -1.982 -1.888 11.263 1.00 0.79 N ATOM 70 CA GLU A 6 -2.614 -3.227 11.431 1.00 1.04 C ATOM 71 C GLU A 6 -1.540 -4.321 11.433 1.00 1.10 C ATOM 72 O GLU A 6 -1.065 -4.732 12.473 1.00 1.76 O ATOM 73 CB GLU A 6 -3.545 -3.376 10.227 1.00 1.28 C ATOM 74 CG GLU A 6 -4.928 -2.826 10.580 1.00 1.68 C ATOM 75 CD GLU A 6 -5.860 -3.982 10.946 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.434 -4.847 11.693 1.00 2.63 O ATOM 77 OE2 GLU A 6 -6.984 -3.984 10.472 1.00 2.24 O ATOM 0 H GLU A 6 -1.438 -1.767 10.409 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.155 -3.319 12.373 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.137 -2.840 9.370 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.621 -4.425 9.941 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.851 -2.129 11.414 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -5.336 -2.270 9.736 1.00 1.68 H new ATOM 84 N ASP A 7 -1.146 -4.793 10.279 1.00 1.27 N ATOM 85 CA ASP A 7 -0.098 -5.852 10.227 1.00 1.35 C ATOM 86 C ASP A 7 1.273 -5.212 9.999 1.00 1.28 C ATOM 87 O ASP A 7 1.844 -5.307 8.932 1.00 2.01 O ATOM 88 CB ASP A 7 -0.483 -6.735 9.041 1.00 1.53 C ATOM 89 CG ASP A 7 -1.383 -7.874 9.524 1.00 1.92 C ATOM 90 OD1 ASP A 7 -0.998 -8.548 10.464 1.00 2.36 O ATOM 91 OD2 ASP A 7 -2.442 -8.053 8.944 1.00 2.57 O ATOM 0 H ASP A 7 -1.504 -4.491 9.373 1.00 1.27 H new ATOM 0 HA ASP A 7 -0.037 -6.424 11.153 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -1.001 -6.143 8.286 1.00 1.53 H new ATOM 0 HB3 ASP A 7 0.412 -7.140 8.569 1.00 1.53 H new ATOM 96 N HIS A 8 1.801 -4.548 10.994 1.00 1.21 N ATOM 97 CA HIS A 8 3.132 -3.886 10.839 1.00 1.11 C ATOM 98 C HIS A 8 3.098 -2.887 9.674 1.00 0.81 C ATOM 99 O HIS A 8 4.123 -2.479 9.165 1.00 0.87 O ATOM 100 CB HIS A 8 4.125 -5.018 10.549 1.00 1.32 C ATOM 101 CG HIS A 8 4.826 -5.409 11.821 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.407 -6.658 11.993 1.00 2.30 N ATOM 103 CD2 HIS A 8 5.051 -4.729 12.992 1.00 2.02 C ATOM 104 CE1 HIS A 8 5.947 -6.688 13.225 1.00 2.53 C ATOM 105 NE2 HIS A 8 5.759 -5.538 13.877 1.00 2.33 N ATOM 0 H HIS A 8 1.367 -4.435 11.910 1.00 1.21 H new ATOM 0 HA HIS A 8 3.412 -3.326 11.731 1.00 1.11 H new ATOM 0 HB2 HIS A 8 3.601 -5.878 10.131 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.853 -4.696 9.804 1.00 1.32 H new ATOM 0 HD2 HIS A 8 4.728 -3.719 13.196 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.469 -7.539 13.637 1.00 2.53 H new ATOM 0 HE2 HIS A 8 6.068 -5.303 14.820 1.00 2.33 H new ATOM 113 N VAL A 9 1.927 -2.491 9.249 1.00 0.69 N ATOM 114 CA VAL A 9 1.820 -1.527 8.126 1.00 0.49 C ATOM 115 C VAL A 9 0.833 -0.417 8.482 1.00 0.41 C ATOM 116 O VAL A 9 0.256 -0.401 9.551 1.00 0.54 O ATOM 117 CB VAL A 9 1.287 -2.349 6.958 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.323 -3.400 6.556 1.00 0.89 C ATOM 119 CG2 VAL A 9 -0.018 -3.042 7.358 1.00 0.88 C ATOM 0 H VAL A 9 1.036 -2.799 9.638 1.00 0.69 H new ATOM 0 HA VAL A 9 2.773 -1.050 7.895 1.00 0.49 H new ATOM 0 HB VAL A 9 1.095 -1.686 6.114 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.941 -3.987 5.721 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.247 -2.905 6.258 1.00 0.89 H new ATOM 0 HG13 VAL A 9 2.520 -4.058 7.402 1.00 0.89 H new ATOM 0 HG21 VAL A 9 -0.392 -3.627 6.518 1.00 0.88 H new ATOM 0 HG22 VAL A 9 0.165 -3.702 8.206 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.758 -2.292 7.635 1.00 0.88 H new ATOM 129 N LEU A 10 0.635 0.509 7.590 1.00 0.41 N ATOM 130 CA LEU A 10 -0.318 1.619 7.869 1.00 0.54 C ATOM 131 C LEU A 10 -1.723 1.234 7.398 1.00 0.42 C ATOM 132 O LEU A 10 -1.895 0.417 6.517 1.00 0.59 O ATOM 133 CB LEU A 10 0.216 2.808 7.063 1.00 0.83 C ATOM 134 CG LEU A 10 0.236 4.071 7.932 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.196 4.455 8.315 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.058 3.818 9.199 1.00 1.49 C ATOM 0 H LEU A 10 1.091 0.547 6.679 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.392 1.849 8.932 1.00 0.54 H new ATOM 0 HB2 LEU A 10 1.221 2.590 6.702 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.409 2.972 6.185 1.00 0.83 H new ATOM 0 HG LEU A 10 0.690 4.886 7.368 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.179 5.353 8.933 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.775 4.647 7.412 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.654 3.639 8.874 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.068 4.719 9.812 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.612 3.000 9.764 1.00 1.49 H new ATOM 0 HD23 LEU A 10 2.079 3.555 8.924 1.00 1.49 H new ATOM 148 N VAL A 11 -2.730 1.820 7.977 1.00 0.54 N ATOM 149 CA VAL A 11 -4.120 1.499 7.558 1.00 0.46 C ATOM 150 C VAL A 11 -4.970 2.767 7.635 1.00 0.43 C ATOM 151 O VAL A 11 -4.863 3.534 8.573 1.00 0.54 O ATOM 152 CB VAL A 11 -4.611 0.439 8.550 1.00 0.61 C ATOM 153 CG1 VAL A 11 -4.717 1.043 9.953 1.00 1.39 C ATOM 154 CG2 VAL A 11 -5.984 -0.067 8.107 1.00 1.04 C ATOM 0 H VAL A 11 -2.651 2.509 8.725 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.181 1.129 6.534 1.00 0.46 H new ATOM 0 HB VAL A 11 -3.902 -0.389 8.573 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.067 0.282 10.651 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -3.738 1.403 10.269 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.422 1.874 9.939 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -6.338 -0.822 8.810 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -6.688 0.765 8.083 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -5.907 -0.506 7.112 1.00 1.04 H new ATOM 164 N LEU A 12 -5.804 3.010 6.661 1.00 0.40 N ATOM 165 CA LEU A 12 -6.633 4.248 6.712 1.00 0.45 C ATOM 166 C LEU A 12 -7.984 4.049 6.033 1.00 0.44 C ATOM 167 O LEU A 12 -8.298 2.988 5.533 1.00 0.58 O ATOM 168 CB LEU A 12 -5.812 5.368 6.030 1.00 0.63 C ATOM 169 CG LEU A 12 -5.142 4.918 4.712 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.919 4.043 5.007 1.00 1.16 C ATOM 171 CD2 LEU A 12 -6.129 4.152 3.829 1.00 0.82 C ATOM 0 H LEU A 12 -5.947 2.416 5.844 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.858 4.514 7.745 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.466 6.216 5.826 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -5.043 5.717 6.720 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.821 5.811 4.176 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.458 3.734 4.069 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -3.199 4.611 5.596 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.229 3.161 5.567 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -5.632 3.847 2.908 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -6.483 3.269 4.360 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -6.976 4.794 3.589 1.00 0.82 H new ATOM 183 N ARG A 13 -8.790 5.072 6.028 1.00 0.47 N ATOM 184 CA ARG A 13 -10.138 4.962 5.400 1.00 0.55 C ATOM 185 C ARG A 13 -10.487 6.245 4.639 1.00 0.54 C ATOM 186 O ARG A 13 -9.670 7.127 4.483 1.00 0.73 O ATOM 187 CB ARG A 13 -11.099 4.749 6.573 1.00 0.69 C ATOM 188 CG ARG A 13 -10.927 5.878 7.594 1.00 1.19 C ATOM 189 CD ARG A 13 -12.158 5.946 8.499 1.00 1.28 C ATOM 190 NE ARG A 13 -13.309 6.137 7.572 1.00 1.86 N ATOM 191 CZ ARG A 13 -14.531 6.044 8.020 1.00 2.30 C ATOM 192 NH1 ARG A 13 -14.836 5.134 8.906 1.00 2.84 N ATOM 193 NH2 ARG A 13 -15.449 6.861 7.582 1.00 2.68 N ATOM 0 H ARG A 13 -8.574 5.983 6.433 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.189 4.150 4.674 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -12.128 4.725 6.213 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.904 3.786 7.045 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.032 5.707 8.193 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -10.789 6.829 7.079 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.269 5.032 9.083 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.081 6.770 9.208 1.00 1.28 H new ATOM 0 HE ARG A 13 -13.142 6.341 6.587 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -14.119 4.495 9.249 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -15.792 5.062 9.255 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -15.211 7.572 6.890 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -16.405 6.789 7.932 1.00 2.68 H new ATOM 207 N LYS A 14 -11.700 6.352 4.164 1.00 0.58 N ATOM 208 CA LYS A 14 -12.110 7.573 3.406 1.00 0.63 C ATOM 209 C LYS A 14 -11.956 8.824 4.269 1.00 0.65 C ATOM 210 O LYS A 14 -11.851 9.928 3.771 1.00 0.83 O ATOM 211 CB LYS A 14 -13.585 7.348 3.082 1.00 0.74 C ATOM 212 CG LYS A 14 -13.872 7.817 1.655 1.00 1.26 C ATOM 213 CD LYS A 14 -14.201 9.313 1.665 1.00 1.92 C ATOM 214 CE LYS A 14 -15.572 9.533 2.308 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.029 10.853 1.791 1.00 2.80 N ATOM 0 H LYS A 14 -12.427 5.645 4.268 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.499 7.723 2.516 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.834 6.292 3.186 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.211 7.894 3.788 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.008 7.628 1.018 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.706 7.253 1.236 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -13.437 9.860 2.218 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -14.199 9.703 0.647 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -16.268 8.739 2.036 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -15.502 9.537 3.396 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -16.964 11.076 2.187 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -15.350 11.589 2.071 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.092 10.817 0.754 1.00 2.80 H new ATOM 229 N SER A 15 -11.953 8.659 5.558 1.00 0.68 N ATOM 230 CA SER A 15 -11.819 9.832 6.460 1.00 0.88 C ATOM 231 C SER A 15 -10.369 10.304 6.491 1.00 0.81 C ATOM 232 O SER A 15 -10.089 11.458 6.750 1.00 1.05 O ATOM 233 CB SER A 15 -12.251 9.323 7.834 1.00 1.10 C ATOM 234 OG SER A 15 -13.546 8.747 7.739 1.00 1.68 O ATOM 0 H SER A 15 -12.038 7.758 6.029 1.00 0.68 H new ATOM 0 HA SER A 15 -12.421 10.680 6.134 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.538 8.584 8.201 1.00 1.10 H new ATOM 0 HB3 SER A 15 -12.258 10.143 8.552 1.00 1.10 H new ATOM 0 HG SER A 15 -13.889 8.564 8.638 1.00 1.68 H new ATOM 240 N ASN A 16 -9.441 9.425 6.227 1.00 0.65 N ATOM 241 CA ASN A 16 -8.017 9.848 6.244 1.00 0.68 C ATOM 242 C ASN A 16 -7.211 9.118 5.164 1.00 0.55 C ATOM 243 O ASN A 16 -6.029 8.879 5.316 1.00 0.56 O ATOM 244 CB ASN A 16 -7.506 9.490 7.639 1.00 0.87 C ATOM 245 CG ASN A 16 -7.695 7.993 7.888 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.787 7.476 7.757 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.669 7.272 8.245 1.00 0.98 N ATOM 0 H ASN A 16 -9.607 8.444 6.003 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.912 10.912 6.034 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.452 9.753 7.730 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -8.044 10.065 8.393 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.782 6.273 8.415 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -5.753 7.707 8.355 1.00 0.98 H new ATOM 254 N PHE A 17 -7.829 8.777 4.066 1.00 0.55 N ATOM 255 CA PHE A 17 -7.076 8.084 2.984 1.00 0.51 C ATOM 256 C PHE A 17 -6.114 9.077 2.340 1.00 0.46 C ATOM 257 O PHE A 17 -4.913 8.897 2.349 1.00 0.52 O ATOM 258 CB PHE A 17 -8.130 7.635 1.974 1.00 0.56 C ATOM 259 CG PHE A 17 -7.453 6.880 0.856 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.873 7.576 -0.211 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.410 5.481 0.885 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.249 6.872 -1.249 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.788 4.778 -0.153 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.189 5.482 -1.215 1.00 0.87 C ATOM 0 H PHE A 17 -8.816 8.947 3.873 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.495 7.238 3.351 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.871 7.001 2.461 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.662 8.499 1.576 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.907 8.655 -0.234 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.857 4.944 1.709 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.813 7.410 -2.078 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.768 3.698 -0.139 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.683 4.944 -2.003 1.00 0.87 H new ATOM 274 N ALA A 18 -6.641 10.138 1.796 1.00 0.52 N ATOM 275 CA ALA A 18 -5.768 11.164 1.166 1.00 0.66 C ATOM 276 C ALA A 18 -4.718 11.636 2.176 1.00 0.59 C ATOM 277 O ALA A 18 -3.666 12.123 1.813 1.00 0.75 O ATOM 278 CB ALA A 18 -6.710 12.308 0.789 1.00 0.84 C ATOM 0 H ALA A 18 -7.641 10.338 1.761 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.231 10.783 0.297 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.140 13.108 0.317 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.467 11.943 0.095 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.196 12.690 1.687 1.00 0.84 H new ATOM 284 N GLU A 19 -4.992 11.476 3.445 1.00 0.46 N ATOM 285 CA GLU A 19 -4.008 11.897 4.477 1.00 0.49 C ATOM 286 C GLU A 19 -2.771 11.018 4.372 1.00 0.48 C ATOM 287 O GLU A 19 -1.692 11.488 4.080 1.00 0.56 O ATOM 288 CB GLU A 19 -4.710 11.675 5.817 1.00 0.55 C ATOM 289 CG GLU A 19 -3.815 12.175 6.954 1.00 0.69 C ATOM 290 CD GLU A 19 -4.503 13.337 7.672 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.262 14.041 7.026 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.259 13.503 8.856 1.00 1.66 O ATOM 0 H GLU A 19 -5.855 11.072 3.808 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.691 12.933 4.360 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.663 12.203 5.832 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.930 10.616 5.953 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.616 11.366 7.657 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.852 12.497 6.558 1.00 0.69 H new ATOM 299 N ALA A 20 -2.921 9.735 4.590 1.00 0.45 N ATOM 300 CA ALA A 20 -1.748 8.817 4.490 1.00 0.53 C ATOM 301 C ALA A 20 -0.983 9.076 3.190 1.00 0.57 C ATOM 302 O ALA A 20 0.228 9.117 3.169 1.00 0.71 O ATOM 303 CB ALA A 20 -2.345 7.409 4.488 1.00 0.57 C ATOM 0 H ALA A 20 -3.804 9.286 4.832 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.042 8.960 5.308 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.543 6.674 4.417 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.903 7.249 5.411 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -3.015 7.299 3.635 1.00 0.57 H new ATOM 309 N LEU A 21 -1.689 9.261 2.111 1.00 0.55 N ATOM 310 CA LEU A 21 -1.011 9.524 0.808 1.00 0.69 C ATOM 311 C LEU A 21 -0.234 10.840 0.871 1.00 0.75 C ATOM 312 O LEU A 21 0.929 10.904 0.529 1.00 0.92 O ATOM 313 CB LEU A 21 -2.141 9.614 -0.217 1.00 0.74 C ATOM 314 CG LEU A 21 -1.919 8.565 -1.309 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.837 7.367 -1.060 1.00 0.90 C ATOM 316 CD2 LEU A 21 -2.235 9.175 -2.676 1.00 1.44 C ATOM 0 H LEU A 21 -2.708 9.242 2.073 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.292 8.745 0.553 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.103 9.451 0.270 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.171 10.611 -0.656 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.880 8.236 -1.290 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.679 6.620 -1.838 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.611 6.931 -0.087 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.876 7.695 -1.078 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -2.077 8.427 -3.453 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -3.274 9.505 -2.696 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -1.580 10.028 -2.854 1.00 1.44 H new ATOM 328 N ALA A 22 -0.870 11.890 1.307 1.00 0.71 N ATOM 329 CA ALA A 22 -0.170 13.205 1.397 1.00 0.85 C ATOM 330 C ALA A 22 0.407 13.399 2.802 1.00 0.89 C ATOM 331 O ALA A 22 0.656 14.507 3.234 1.00 1.08 O ATOM 332 CB ALA A 22 -1.250 14.249 1.113 1.00 1.00 C ATOM 0 H ALA A 22 -1.845 11.897 1.606 1.00 0.71 H new ATOM 0 HA ALA A 22 0.662 13.280 0.697 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.813 15.247 1.161 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.665 14.082 0.119 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.043 14.164 1.856 1.00 1.00 H new ATOM 338 N ALA A 23 0.620 12.328 3.517 1.00 0.86 N ATOM 339 CA ALA A 23 1.179 12.445 4.893 1.00 0.93 C ATOM 340 C ALA A 23 2.674 12.096 4.893 1.00 0.85 C ATOM 341 O ALA A 23 3.396 12.427 5.812 1.00 0.95 O ATOM 342 CB ALA A 23 0.386 11.436 5.726 1.00 1.05 C ATOM 0 H ALA A 23 0.430 11.375 3.206 1.00 0.86 H new ATOM 0 HA ALA A 23 1.095 13.457 5.290 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.738 11.459 6.757 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.673 11.693 5.698 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.527 10.436 5.317 1.00 1.05 H new ATOM 348 N HIS A 24 3.141 11.433 3.868 1.00 0.83 N ATOM 349 CA HIS A 24 4.588 11.066 3.807 1.00 0.84 C ATOM 350 C HIS A 24 5.098 11.163 2.365 1.00 0.82 C ATOM 351 O HIS A 24 4.499 11.808 1.528 1.00 1.30 O ATOM 352 CB HIS A 24 4.652 9.620 4.304 1.00 0.95 C ATOM 353 CG HIS A 24 5.921 9.412 5.087 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.138 8.277 5.854 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.047 10.183 5.233 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.352 8.396 6.420 1.00 2.04 C ATOM 357 NE2 HIS A 24 7.950 9.540 6.075 1.00 2.00 N ATOM 0 H HIS A 24 2.583 11.129 3.070 1.00 0.83 H new ATOM 0 HA HIS A 24 5.209 11.731 4.408 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.787 9.401 4.929 1.00 0.95 H new ATOM 0 HB3 HIS A 24 4.617 8.932 3.459 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.208 11.143 4.765 1.00 1.84 H new ATOM 0 HE1 HIS A 24 7.790 7.657 7.074 1.00 2.04 H new ATOM 0 HE2 HIS A 24 8.870 9.871 6.366 1.00 2.00 H new ATOM 365 N LYS A 25 6.199 10.527 2.068 1.00 0.72 N ATOM 366 CA LYS A 25 6.742 10.587 0.677 1.00 0.69 C ATOM 367 C LYS A 25 6.165 9.439 -0.165 1.00 0.59 C ATOM 368 O LYS A 25 5.134 9.584 -0.789 1.00 0.68 O ATOM 369 CB LYS A 25 8.258 10.458 0.835 1.00 0.81 C ATOM 370 CG LYS A 25 8.914 10.422 -0.547 1.00 1.20 C ATOM 371 CD LYS A 25 10.388 10.816 -0.425 1.00 1.51 C ATOM 372 CE LYS A 25 10.496 12.315 -0.132 1.00 2.06 C ATOM 373 NZ LYS A 25 10.682 12.953 -1.465 1.00 2.47 N ATOM 0 H LYS A 25 6.746 9.970 2.725 1.00 0.72 H new ATOM 0 HA LYS A 25 6.475 11.510 0.162 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.647 11.297 1.412 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.501 9.551 1.388 1.00 0.81 H new ATOM 0 HG2 LYS A 25 8.828 9.424 -0.976 1.00 1.20 H new ATOM 0 HG3 LYS A 25 8.399 11.105 -1.223 1.00 1.20 H new ATOM 0 HD2 LYS A 25 10.863 10.244 0.372 1.00 1.51 H new ATOM 0 HD3 LYS A 25 10.917 10.576 -1.348 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.598 12.687 0.362 1.00 2.06 H new ATOM 0 HE3 LYS A 25 11.336 12.529 0.529 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.764 13.983 -1.348 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.547 12.584 -1.909 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.864 12.737 -2.070 1.00 2.47 H new ATOM 387 N TYR A 26 6.806 8.298 -0.184 1.00 0.52 N ATOM 388 CA TYR A 26 6.270 7.159 -0.985 1.00 0.48 C ATOM 389 C TYR A 26 5.297 6.342 -0.133 1.00 0.46 C ATOM 390 O TYR A 26 5.670 5.773 0.875 1.00 0.53 O ATOM 391 CB TYR A 26 7.493 6.314 -1.353 1.00 0.56 C ATOM 392 CG TYR A 26 8.518 7.175 -2.054 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.125 8.028 -3.092 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.862 7.122 -1.663 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.076 8.826 -3.741 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.812 7.920 -2.310 1.00 1.31 C ATOM 397 CZ TYR A 26 10.419 8.772 -3.349 1.00 1.08 C ATOM 398 OH TYR A 26 11.355 9.560 -3.987 1.00 1.33 O ATOM 0 H TYR A 26 7.673 8.107 0.318 1.00 0.52 H new ATOM 0 HA TYR A 26 5.729 7.493 -1.870 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.927 5.875 -0.455 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.195 5.488 -1.999 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.089 8.071 -3.393 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.165 6.465 -0.862 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.773 9.483 -4.543 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.848 7.879 -2.008 1.00 1.31 H new ATOM 0 HH TYR A 26 12.238 9.403 -3.593 1.00 1.33 H new ATOM 408 N LEU A 27 4.053 6.280 -0.518 1.00 0.46 N ATOM 409 CA LEU A 27 3.071 5.501 0.287 1.00 0.45 C ATOM 410 C LEU A 27 2.374 4.455 -0.579 1.00 0.40 C ATOM 411 O LEU A 27 1.814 4.760 -1.614 1.00 0.50 O ATOM 412 CB LEU A 27 2.044 6.522 0.792 1.00 0.51 C ATOM 413 CG LEU A 27 2.654 7.438 1.863 1.00 0.77 C ATOM 414 CD1 LEU A 27 3.369 6.610 2.937 1.00 0.66 C ATOM 415 CD2 LEU A 27 3.644 8.402 1.210 1.00 1.93 C ATOM 0 H LEU A 27 3.675 6.732 -1.350 1.00 0.46 H new ATOM 0 HA LEU A 27 3.561 4.972 1.104 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.684 7.123 -0.043 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.181 6.000 1.205 1.00 0.51 H new ATOM 0 HG LEU A 27 1.852 8.004 2.337 1.00 0.77 H new ATOM 0 HD11 LEU A 27 3.795 7.277 3.687 1.00 0.66 H new ATOM 0 HD12 LEU A 27 2.655 5.937 3.413 1.00 0.66 H new ATOM 0 HD13 LEU A 27 4.166 6.027 2.476 1.00 0.66 H new ATOM 0 HD21 LEU A 27 4.076 9.051 1.972 1.00 1.93 H new ATOM 0 HD22 LEU A 27 4.438 7.835 0.724 1.00 1.93 H new ATOM 0 HD23 LEU A 27 3.125 9.009 0.468 1.00 1.93 H new ATOM 427 N LEU A 28 2.388 3.224 -0.153 1.00 0.33 N ATOM 428 CA LEU A 28 1.708 2.160 -0.939 1.00 0.32 C ATOM 429 C LEU A 28 0.369 1.819 -0.282 1.00 0.29 C ATOM 430 O LEU A 28 0.283 1.661 0.918 1.00 0.35 O ATOM 431 CB LEU A 28 2.652 0.960 -0.891 1.00 0.40 C ATOM 432 CG LEU A 28 2.011 -0.214 -1.627 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.151 0.006 -3.132 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.710 -1.513 -1.224 1.00 1.12 C ATOM 0 H LEU A 28 2.841 2.909 0.705 1.00 0.33 H new ATOM 0 HA LEU A 28 1.501 2.464 -1.965 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.607 1.215 -1.351 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.859 0.686 0.144 1.00 0.40 H new ATOM 0 HG LEU A 28 0.955 -0.283 -1.366 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.696 -0.828 -3.666 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.650 0.933 -3.412 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.207 0.071 -3.394 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.252 -2.351 -1.750 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.766 -1.454 -1.486 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.610 -1.661 -0.149 1.00 1.12 H new ATOM 446 N VAL A 29 -0.676 1.709 -1.049 1.00 0.32 N ATOM 447 CA VAL A 29 -2.000 1.383 -0.449 1.00 0.32 C ATOM 448 C VAL A 29 -2.577 0.119 -1.092 1.00 0.34 C ATOM 449 O VAL A 29 -2.562 -0.039 -2.296 1.00 0.47 O ATOM 450 CB VAL A 29 -2.880 2.595 -0.746 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.274 2.365 -0.159 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.261 3.844 -0.112 1.00 0.77 C ATOM 0 H VAL A 29 -0.673 1.830 -2.062 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.932 1.186 0.621 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.955 2.735 -1.824 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.905 3.229 -0.370 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.716 1.475 -0.608 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.196 2.227 0.919 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.889 4.709 -0.324 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.186 3.706 0.967 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.266 4.008 -0.527 1.00 0.77 H new ATOM 462 N GLU A 30 -3.084 -0.784 -0.297 1.00 0.32 N ATOM 463 CA GLU A 30 -3.658 -2.038 -0.862 1.00 0.39 C ATOM 464 C GLU A 30 -5.149 -2.137 -0.528 1.00 0.36 C ATOM 465 O GLU A 30 -5.559 -1.941 0.598 1.00 0.42 O ATOM 466 CB GLU A 30 -2.883 -3.170 -0.185 1.00 0.52 C ATOM 467 CG GLU A 30 -3.460 -4.519 -0.622 1.00 0.64 C ATOM 468 CD GLU A 30 -2.454 -5.630 -0.317 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.290 -5.317 -0.125 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.865 -6.779 -0.281 1.00 1.48 O ATOM 0 H GLU A 30 -3.125 -0.707 0.719 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.572 -2.076 -1.948 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.827 -3.111 -0.450 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.945 -3.070 0.899 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.398 -4.711 -0.101 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.686 -4.501 -1.688 1.00 0.64 H new ATOM 477 N PHE A 31 -5.961 -2.441 -1.502 1.00 0.35 N ATOM 478 CA PHE A 31 -7.424 -2.553 -1.248 1.00 0.36 C ATOM 479 C PHE A 31 -7.812 -4.020 -1.049 1.00 0.39 C ATOM 480 O PHE A 31 -7.731 -4.818 -1.961 1.00 0.49 O ATOM 481 CB PHE A 31 -8.083 -2.000 -2.511 1.00 0.41 C ATOM 482 CG PHE A 31 -8.014 -0.493 -2.498 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.847 0.160 -2.913 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.120 0.253 -2.074 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.785 1.558 -2.901 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.060 1.651 -2.063 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.883 2.304 -2.475 1.00 0.53 C ATOM 0 H PHE A 31 -5.674 -2.617 -2.465 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.732 -2.014 -0.352 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.580 -2.390 -3.396 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.122 -2.326 -2.564 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.994 -0.415 -3.242 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.020 -0.251 -1.755 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.884 2.060 -3.222 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.914 2.227 -1.739 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.831 3.383 -2.461 1.00 0.53 H new ATOM 497 N TYR A 32 -8.235 -4.385 0.131 1.00 0.37 N ATOM 498 CA TYR A 32 -8.625 -5.806 0.360 1.00 0.44 C ATOM 499 C TYR A 32 -9.972 -5.888 1.069 1.00 0.40 C ATOM 500 O TYR A 32 -10.622 -4.894 1.324 1.00 0.45 O ATOM 501 CB TYR A 32 -7.529 -6.401 1.247 1.00 0.54 C ATOM 502 CG TYR A 32 -7.509 -5.696 2.587 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.898 -4.442 2.705 1.00 0.58 C ATOM 504 CD2 TYR A 32 -8.096 -6.296 3.707 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.876 -3.787 3.942 1.00 0.67 C ATOM 506 CE2 TYR A 32 -8.073 -5.641 4.945 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.480 -4.401 5.069 1.00 0.77 C ATOM 508 OH TYR A 32 -7.441 -3.741 6.281 1.00 0.94 O ATOM 0 H TYR A 32 -8.327 -3.769 0.938 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.724 -6.345 -0.582 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.704 -7.467 1.390 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.560 -6.300 0.759 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.443 -3.980 1.841 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.567 -7.264 3.617 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.403 -2.821 4.038 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.522 -6.109 5.808 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.895 -4.280 6.962 1.00 0.94 H new ATOM 518 N ALA A 33 -10.386 -7.076 1.396 1.00 0.40 N ATOM 519 CA ALA A 33 -11.684 -7.248 2.101 1.00 0.44 C ATOM 520 C ALA A 33 -11.577 -8.392 3.117 1.00 0.53 C ATOM 521 O ALA A 33 -10.729 -9.252 2.984 1.00 0.56 O ATOM 522 CB ALA A 33 -12.688 -7.604 1.006 1.00 0.49 C ATOM 0 H ALA A 33 -9.879 -7.940 1.205 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.980 -6.353 2.649 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.674 -7.747 1.449 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.732 -6.796 0.276 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.376 -8.523 0.511 1.00 0.49 H new ATOM 528 N PRO A 34 -12.448 -8.379 4.093 1.00 0.63 N ATOM 529 CA PRO A 34 -12.443 -9.448 5.121 1.00 0.78 C ATOM 530 C PRO A 34 -12.878 -10.780 4.500 1.00 0.82 C ATOM 531 O PRO A 34 -12.653 -11.838 5.054 1.00 0.96 O ATOM 532 CB PRO A 34 -13.454 -8.962 6.154 1.00 0.90 C ATOM 533 CG PRO A 34 -14.358 -8.042 5.397 1.00 0.81 C ATOM 534 CD PRO A 34 -13.519 -7.398 4.326 1.00 0.66 C ATOM 0 HA PRO A 34 -11.460 -9.624 5.557 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -14.009 -9.794 6.587 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.961 -8.444 6.977 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.191 -8.592 4.958 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.786 -7.289 6.059 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.097 -7.212 3.421 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.120 -6.438 4.652 1.00 0.66 H new ATOM 542 N TRP A 35 -13.492 -10.738 3.346 1.00 0.74 N ATOM 543 CA TRP A 35 -13.928 -12.002 2.687 1.00 0.83 C ATOM 544 C TRP A 35 -13.039 -12.311 1.472 1.00 0.78 C ATOM 545 O TRP A 35 -13.268 -13.269 0.761 1.00 0.92 O ATOM 546 CB TRP A 35 -15.373 -11.745 2.246 1.00 0.91 C ATOM 547 CG TRP A 35 -15.407 -10.639 1.241 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.620 -9.334 1.526 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.225 -10.718 -0.203 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.582 -8.607 0.349 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.342 -9.416 -0.743 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.975 -11.783 -1.087 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.213 -9.178 -2.112 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.844 -11.548 -2.466 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.964 -10.247 -2.977 1.00 2.26 C ATOM 0 H TRP A 35 -13.709 -9.884 2.833 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.852 -12.859 3.356 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.799 -12.652 1.817 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.985 -11.483 3.109 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.792 -8.926 2.511 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.715 -7.597 0.295 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.883 -12.788 -0.703 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.305 -8.174 -2.500 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.650 -12.373 -3.136 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.864 -10.072 -4.038 1.00 2.26 H new ATOM 566 N CYS A 36 -12.032 -11.508 1.223 1.00 0.65 N ATOM 567 CA CYS A 36 -11.139 -11.763 0.051 1.00 0.67 C ATOM 568 C CYS A 36 -10.711 -13.236 0.001 1.00 0.84 C ATOM 569 O CYS A 36 -10.959 -13.929 -0.965 1.00 1.63 O ATOM 570 CB CYS A 36 -9.931 -10.856 0.281 1.00 0.58 C ATOM 571 SG CYS A 36 -8.746 -11.067 -1.069 1.00 1.07 S ATOM 0 H CYS A 36 -11.791 -10.689 1.780 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.636 -11.557 -0.897 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.251 -9.816 0.338 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.459 -11.097 1.233 1.00 0.58 H new ATOM 576 N GLY A 37 -10.076 -13.722 1.034 1.00 0.96 N ATOM 577 CA GLY A 37 -9.643 -15.150 1.036 1.00 1.08 C ATOM 578 C GLY A 37 -8.194 -15.254 0.554 1.00 1.00 C ATOM 579 O GLY A 37 -7.305 -15.600 1.304 1.00 1.83 O ATOM 0 H GLY A 37 -9.839 -13.194 1.874 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.732 -15.565 2.040 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.294 -15.738 0.389 1.00 1.08 H new ATOM 583 N HIS A 38 -7.950 -14.957 -0.693 1.00 0.89 N ATOM 584 CA HIS A 38 -6.556 -15.040 -1.221 1.00 0.97 C ATOM 585 C HIS A 38 -5.709 -13.869 -0.709 1.00 0.88 C ATOM 586 O HIS A 38 -4.527 -13.788 -0.978 1.00 1.13 O ATOM 587 CB HIS A 38 -6.702 -14.972 -2.741 1.00 1.32 C ATOM 588 CG HIS A 38 -7.255 -16.276 -3.249 1.00 1.72 C ATOM 589 ND1 HIS A 38 -8.598 -16.603 -3.138 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.660 -17.344 -3.874 1.00 2.35 C ATOM 591 CE1 HIS A 38 -8.764 -17.822 -3.683 1.00 2.85 C ATOM 592 NE2 HIS A 38 -7.615 -18.319 -4.147 1.00 2.87 N ATOM 0 H HIS A 38 -8.654 -14.661 -1.369 1.00 0.89 H new ATOM 0 HA HIS A 38 -6.053 -15.951 -0.897 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.364 -14.151 -3.017 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.735 -14.770 -3.202 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -5.610 -17.416 -4.117 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -9.712 -18.336 -3.738 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.469 -19.219 -4.603 1.00 2.87 H new ATOM 600 N CYS A 39 -6.293 -12.966 0.031 1.00 0.79 N ATOM 601 CA CYS A 39 -5.503 -11.822 0.558 1.00 0.88 C ATOM 602 C CYS A 39 -4.677 -12.276 1.763 1.00 0.82 C ATOM 603 O CYS A 39 -3.730 -11.626 2.158 1.00 1.00 O ATOM 604 CB CYS A 39 -6.541 -10.780 0.970 1.00 1.08 C ATOM 605 SG CYS A 39 -7.169 -9.944 -0.506 1.00 1.00 S ATOM 0 H CYS A 39 -7.279 -12.972 0.291 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.803 -11.421 -0.175 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.360 -11.259 1.507 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.095 -10.055 1.650 1.00 1.08 H new ATOM 610 N LYS A 40 -5.024 -13.393 2.348 1.00 0.78 N ATOM 611 CA LYS A 40 -4.253 -13.887 3.518 1.00 0.94 C ATOM 612 C LYS A 40 -2.876 -14.373 3.062 1.00 0.84 C ATOM 613 O LYS A 40 -1.912 -14.327 3.800 1.00 0.94 O ATOM 614 CB LYS A 40 -5.079 -15.045 4.086 1.00 1.21 C ATOM 615 CG LYS A 40 -5.203 -16.159 3.042 1.00 1.56 C ATOM 616 CD LYS A 40 -3.983 -17.072 3.122 1.00 2.11 C ATOM 617 CE LYS A 40 -4.409 -18.460 3.610 1.00 2.72 C ATOM 618 NZ LYS A 40 -5.290 -18.994 2.535 1.00 3.29 N ATOM 0 H LYS A 40 -5.807 -13.981 2.064 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.088 -13.111 4.266 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.606 -15.432 4.989 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.069 -14.691 4.372 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.113 -16.734 3.215 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.283 -15.729 2.044 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.510 -17.149 2.143 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -3.243 -16.648 3.801 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -3.545 -19.105 3.768 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.939 -18.398 4.560 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.115 -20.012 2.416 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.286 -18.842 2.795 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -5.086 -18.501 1.642 1.00 3.29 H new ATOM 632 N ALA A 41 -2.778 -14.835 1.846 1.00 0.77 N ATOM 633 CA ALA A 41 -1.464 -15.318 1.335 1.00 0.86 C ATOM 634 C ALA A 41 -0.478 -14.150 1.242 1.00 0.75 C ATOM 635 O ALA A 41 0.715 -14.315 1.400 1.00 0.90 O ATOM 636 CB ALA A 41 -1.763 -15.881 -0.054 1.00 0.93 C ATOM 0 H ALA A 41 -3.551 -14.899 1.184 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.013 -16.066 1.987 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.843 -16.258 -0.499 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.485 -16.693 0.030 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.175 -15.093 -0.685 1.00 0.93 H new ATOM 642 N LEU A 42 -0.973 -12.968 0.989 1.00 0.65 N ATOM 643 CA LEU A 42 -0.070 -11.786 0.889 1.00 0.67 C ATOM 644 C LEU A 42 -0.240 -10.892 2.121 1.00 0.63 C ATOM 645 O LEU A 42 -0.052 -9.693 2.062 1.00 0.70 O ATOM 646 CB LEU A 42 -0.518 -11.051 -0.375 1.00 0.82 C ATOM 647 CG LEU A 42 0.524 -9.993 -0.747 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.264 -10.426 -2.013 1.00 1.24 C ATOM 649 CD2 LEU A 42 -0.176 -8.655 -0.996 1.00 1.37 C ATOM 0 H LEU A 42 -1.964 -12.770 0.847 1.00 0.65 H new ATOM 0 HA LEU A 42 0.982 -12.069 0.842 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.642 -11.758 -1.195 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.487 -10.580 -0.210 1.00 0.82 H new ATOM 0 HG LEU A 42 1.238 -9.884 0.069 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.006 -9.672 -2.277 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.763 -11.379 -1.835 1.00 1.24 H new ATOM 0 HD13 LEU A 42 0.552 -10.536 -2.831 1.00 1.24 H new ATOM 0 HD21 LEU A 42 0.565 -7.901 -1.261 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.890 -8.764 -1.812 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.702 -8.346 -0.093 1.00 1.37 H new ATOM 661 N ALA A 43 -0.598 -11.470 3.233 1.00 0.71 N ATOM 662 CA ALA A 43 -0.788 -10.664 4.475 1.00 0.73 C ATOM 663 C ALA A 43 0.529 -10.541 5.261 1.00 0.67 C ATOM 664 O ALA A 43 0.896 -9.458 5.672 1.00 0.65 O ATOM 665 CB ALA A 43 -1.825 -11.436 5.291 1.00 0.88 C ATOM 0 H ALA A 43 -0.768 -12.470 3.337 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.109 -9.647 4.251 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.021 -10.907 6.224 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.749 -11.519 4.719 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.445 -12.433 5.512 1.00 0.88 H new ATOM 671 N PRO A 44 1.203 -11.653 5.449 1.00 0.69 N ATOM 672 CA PRO A 44 2.478 -11.643 6.191 1.00 0.70 C ATOM 673 C PRO A 44 3.631 -11.253 5.262 1.00 0.59 C ATOM 674 O PRO A 44 4.738 -11.013 5.701 1.00 0.65 O ATOM 675 CB PRO A 44 2.625 -13.082 6.670 1.00 0.83 C ATOM 676 CG PRO A 44 1.826 -13.910 5.707 1.00 0.84 C ATOM 677 CD PRO A 44 0.853 -13.001 4.994 1.00 0.76 C ATOM 0 HA PRO A 44 2.493 -10.925 7.011 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.671 -13.388 6.677 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.253 -13.196 7.688 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.485 -14.399 4.989 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.291 -14.698 6.237 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.947 -13.091 3.912 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.178 -13.249 5.246 1.00 0.76 H new ATOM 685 N GLU A 45 3.380 -11.171 3.983 1.00 0.53 N ATOM 686 CA GLU A 45 4.459 -10.778 3.038 1.00 0.46 C ATOM 687 C GLU A 45 4.423 -9.263 2.866 1.00 0.41 C ATOM 688 O GLU A 45 5.436 -8.595 2.861 1.00 0.47 O ATOM 689 CB GLU A 45 4.110 -11.482 1.726 1.00 0.48 C ATOM 690 CG GLU A 45 4.136 -12.997 1.935 1.00 0.61 C ATOM 691 CD GLU A 45 2.703 -13.523 2.032 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.156 -13.500 3.122 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.176 -13.943 1.014 1.00 1.83 O ATOM 0 H GLU A 45 2.474 -11.360 3.554 1.00 0.53 H new ATOM 0 HA GLU A 45 5.457 -11.052 3.380 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.123 -11.169 1.384 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.821 -11.199 0.949 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.657 -13.480 1.108 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.686 -13.240 2.844 1.00 0.61 H new ATOM 700 N TYR A 46 3.248 -8.722 2.747 1.00 0.43 N ATOM 701 CA TYR A 46 3.106 -7.251 2.597 1.00 0.48 C ATOM 702 C TYR A 46 3.471 -6.566 3.929 1.00 0.52 C ATOM 703 O TYR A 46 3.776 -5.391 3.969 1.00 0.69 O ATOM 704 CB TYR A 46 1.620 -7.072 2.214 1.00 0.64 C ATOM 705 CG TYR A 46 1.050 -5.776 2.749 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.473 -5.754 4.022 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.097 -4.610 1.977 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.061 -4.564 4.527 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.563 -3.417 2.482 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.015 -3.394 3.757 1.00 1.50 C ATOM 711 OH TYR A 46 -0.543 -2.220 4.256 1.00 1.95 O ATOM 0 H TYR A 46 2.370 -9.241 2.747 1.00 0.43 H new ATOM 0 HA TYR A 46 3.762 -6.803 1.850 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.520 -7.092 1.129 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.042 -7.910 2.602 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.440 -6.656 4.615 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.544 -4.629 0.994 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.509 -4.547 5.510 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.597 -2.516 1.888 1.00 1.38 H new ATOM 0 HH TYR A 46 0.153 -1.531 4.277 1.00 1.95 H new ATOM 721 N ALA A 47 3.436 -7.294 5.015 1.00 0.53 N ATOM 722 CA ALA A 47 3.776 -6.685 6.333 1.00 0.62 C ATOM 723 C ALA A 47 5.280 -6.798 6.602 1.00 0.58 C ATOM 724 O ALA A 47 5.831 -6.075 7.409 1.00 0.68 O ATOM 725 CB ALA A 47 2.987 -7.499 7.358 1.00 0.73 C ATOM 0 H ALA A 47 3.187 -8.283 5.045 1.00 0.53 H new ATOM 0 HA ALA A 47 3.528 -5.624 6.372 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.183 -7.113 8.358 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.921 -7.422 7.142 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.293 -8.544 7.306 1.00 0.73 H new ATOM 731 N LYS A 48 5.949 -7.699 5.936 1.00 0.51 N ATOM 732 CA LYS A 48 7.416 -7.853 6.160 1.00 0.55 C ATOM 733 C LYS A 48 8.169 -6.697 5.502 1.00 0.53 C ATOM 734 O LYS A 48 9.200 -6.263 5.979 1.00 0.65 O ATOM 735 CB LYS A 48 7.784 -9.183 5.499 1.00 0.60 C ATOM 736 CG LYS A 48 8.283 -10.162 6.563 1.00 1.03 C ATOM 737 CD LYS A 48 7.100 -10.669 7.390 1.00 1.41 C ATOM 738 CE LYS A 48 7.612 -11.289 8.692 1.00 1.92 C ATOM 739 NZ LYS A 48 6.496 -11.115 9.663 1.00 2.47 N ATOM 0 H LYS A 48 5.545 -8.334 5.248 1.00 0.51 H new ATOM 0 HA LYS A 48 7.677 -7.843 7.218 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.917 -9.598 4.986 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.555 -9.025 4.745 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.794 -11.000 6.089 1.00 1.03 H new ATOM 0 HG3 LYS A 48 9.009 -9.671 7.211 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.418 -9.847 7.610 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.536 -11.408 6.821 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.859 -12.342 8.558 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.518 -10.791 9.038 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 6.770 -11.516 10.583 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 6.288 -10.102 9.775 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 5.649 -11.605 9.310 1.00 2.47 H new ATOM 753 N ALA A 49 7.663 -6.190 4.412 1.00 0.47 N ATOM 754 CA ALA A 49 8.351 -5.059 3.728 1.00 0.50 C ATOM 755 C ALA A 49 8.325 -3.818 4.621 1.00 0.53 C ATOM 756 O ALA A 49 9.228 -3.004 4.598 1.00 0.65 O ATOM 757 CB ALA A 49 7.548 -4.820 2.450 1.00 0.55 C ATOM 0 H ALA A 49 6.803 -6.510 3.965 1.00 0.47 H new ATOM 0 HA ALA A 49 9.397 -5.277 3.513 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.993 -3.999 1.889 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.557 -5.723 1.840 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.520 -4.567 2.708 1.00 0.55 H new ATOM 763 N ALA A 50 7.300 -3.669 5.411 1.00 0.54 N ATOM 764 CA ALA A 50 7.218 -2.485 6.312 1.00 0.65 C ATOM 765 C ALA A 50 8.317 -2.558 7.376 1.00 0.65 C ATOM 766 O ALA A 50 8.673 -1.567 7.983 1.00 0.77 O ATOM 767 CB ALA A 50 5.836 -2.573 6.958 1.00 0.76 C ATOM 0 H ALA A 50 6.514 -4.316 5.472 1.00 0.54 H new ATOM 0 HA ALA A 50 7.356 -1.546 5.777 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.698 -1.733 7.638 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.070 -2.542 6.183 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.753 -3.507 7.514 1.00 0.76 H new ATOM 773 N GLY A 51 8.859 -3.723 7.608 1.00 0.59 N ATOM 774 CA GLY A 51 9.933 -3.855 8.631 1.00 0.69 C ATOM 775 C GLY A 51 11.224 -3.229 8.098 1.00 0.78 C ATOM 776 O GLY A 51 12.078 -2.806 8.852 1.00 0.90 O ATOM 0 H GLY A 51 8.604 -4.589 7.133 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.632 -3.362 9.556 1.00 0.69 H new ATOM 0 HA3 GLY A 51 10.097 -4.906 8.868 1.00 0.69 H new ATOM 780 N LYS A 52 11.374 -3.169 6.802 1.00 0.80 N ATOM 781 CA LYS A 52 12.612 -2.573 6.222 1.00 1.01 C ATOM 782 C LYS A 52 12.772 -1.121 6.686 1.00 1.12 C ATOM 783 O LYS A 52 13.871 -0.616 6.804 1.00 1.31 O ATOM 784 CB LYS A 52 12.407 -2.637 4.709 1.00 1.15 C ATOM 785 CG LYS A 52 12.890 -3.992 4.189 1.00 1.49 C ATOM 786 CD LYS A 52 14.408 -3.954 3.999 1.00 1.97 C ATOM 787 CE LYS A 52 15.027 -5.231 4.571 1.00 2.64 C ATOM 788 NZ LYS A 52 16.294 -4.788 5.215 1.00 3.08 N ATOM 0 H LYS A 52 10.694 -3.506 6.121 1.00 0.80 H new ATOM 0 HA LYS A 52 13.512 -3.102 6.534 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.353 -2.497 4.467 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.956 -1.831 4.222 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.620 -4.780 4.892 1.00 1.49 H new ATOM 0 HG3 LYS A 52 12.400 -4.226 3.244 1.00 1.49 H new ATOM 0 HD2 LYS A 52 14.650 -3.863 2.940 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.826 -3.080 4.498 1.00 1.97 H new ATOM 0 HE2 LYS A 52 14.361 -5.704 5.293 1.00 2.64 H new ATOM 0 HE3 LYS A 52 15.218 -5.963 3.786 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 16.777 -5.609 5.631 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 16.910 -4.348 4.502 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 16.080 -4.097 5.962 1.00 3.08 H new ATOM 802 N LEU A 53 11.685 -0.447 6.952 1.00 1.12 N ATOM 803 CA LEU A 53 11.779 0.969 7.414 1.00 1.33 C ATOM 804 C LEU A 53 11.505 1.068 8.919 1.00 1.30 C ATOM 805 O LEU A 53 11.584 2.133 9.498 1.00 1.50 O ATOM 806 CB LEU A 53 10.713 1.720 6.613 1.00 1.55 C ATOM 807 CG LEU A 53 9.325 1.194 6.977 1.00 1.47 C ATOM 808 CD1 LEU A 53 8.434 2.362 7.400 1.00 2.07 C ATOM 809 CD2 LEU A 53 8.709 0.500 5.761 1.00 1.82 C ATOM 0 H LEU A 53 10.737 -0.815 6.870 1.00 1.12 H new ATOM 0 HA LEU A 53 12.774 1.386 7.256 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.773 2.788 6.822 1.00 1.55 H new ATOM 0 HB3 LEU A 53 10.891 1.594 5.545 1.00 1.55 H new ATOM 0 HG LEU A 53 9.409 0.483 7.799 1.00 1.47 H new ATOM 0 HD11 LEU A 53 7.444 1.989 7.660 1.00 2.07 H new ATOM 0 HD12 LEU A 53 8.873 2.860 8.265 1.00 2.07 H new ATOM 0 HD13 LEU A 53 8.350 3.072 6.577 1.00 2.07 H new ATOM 0 HD21 LEU A 53 7.719 0.124 6.019 1.00 1.82 H new ATOM 0 HD22 LEU A 53 8.624 1.212 4.940 1.00 1.82 H new ATOM 0 HD23 LEU A 53 9.344 -0.332 5.456 1.00 1.82 H new ATOM 821 N LYS A 54 11.201 -0.031 9.569 1.00 1.20 N ATOM 822 CA LYS A 54 10.950 0.023 11.042 1.00 1.35 C ATOM 823 C LYS A 54 12.124 0.723 11.724 1.00 1.40 C ATOM 824 O LYS A 54 11.956 1.541 12.606 1.00 1.67 O ATOM 825 CB LYS A 54 10.862 -1.436 11.486 1.00 1.46 C ATOM 826 CG LYS A 54 9.866 -1.559 12.638 1.00 1.91 C ATOM 827 CD LYS A 54 10.532 -1.114 13.941 1.00 2.50 C ATOM 828 CE LYS A 54 10.452 -2.246 14.968 1.00 2.87 C ATOM 829 NZ LYS A 54 10.548 -1.574 16.293 1.00 3.88 N ATOM 0 H LYS A 54 11.117 -0.955 9.146 1.00 1.20 H new ATOM 0 HA LYS A 54 10.044 0.572 11.298 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.548 -2.063 10.651 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.843 -1.791 11.800 1.00 1.46 H new ATOM 0 HG2 LYS A 54 8.987 -0.946 12.439 1.00 1.91 H new ATOM 0 HG3 LYS A 54 9.522 -2.590 12.727 1.00 1.91 H new ATOM 0 HD2 LYS A 54 11.573 -0.848 13.757 1.00 2.50 H new ATOM 0 HD3 LYS A 54 10.039 -0.222 14.328 1.00 2.50 H new ATOM 0 HE2 LYS A 54 9.518 -2.799 14.873 1.00 2.87 H new ATOM 0 HE3 LYS A 54 11.262 -2.962 14.829 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.500 -2.287 17.048 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 11.450 -1.061 16.358 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 9.760 -0.903 16.400 1.00 3.88 H new ATOM 843 N ALA A 55 13.315 0.421 11.287 1.00 1.63 N ATOM 844 CA ALA A 55 14.519 1.077 11.862 1.00 2.20 C ATOM 845 C ALA A 55 14.939 2.224 10.941 1.00 2.03 C ATOM 846 O ALA A 55 16.100 2.559 10.830 1.00 2.38 O ATOM 847 CB ALA A 55 15.591 -0.009 11.890 1.00 2.78 C ATOM 0 H ALA A 55 13.506 -0.258 10.550 1.00 1.63 H new ATOM 0 HA ALA A 55 14.348 1.490 12.856 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.513 0.400 12.303 1.00 2.78 H new ATOM 0 HB2 ALA A 55 15.252 -0.839 12.510 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.775 -0.365 10.876 1.00 2.78 H new ATOM 853 N GLU A 56 13.983 2.812 10.271 1.00 1.67 N ATOM 854 CA GLU A 56 14.274 3.936 9.336 1.00 1.70 C ATOM 855 C GLU A 56 15.271 3.506 8.260 1.00 1.53 C ATOM 856 O GLU A 56 16.026 4.306 7.746 1.00 1.98 O ATOM 857 CB GLU A 56 14.846 5.053 10.205 1.00 1.99 C ATOM 858 CG GLU A 56 13.711 5.667 11.020 1.00 2.69 C ATOM 859 CD GLU A 56 12.451 4.813 10.875 1.00 3.21 C ATOM 860 OE1 GLU A 56 12.581 3.599 10.863 1.00 3.63 O ATOM 861 OE2 GLU A 56 11.378 5.385 10.778 1.00 3.64 O ATOM 0 H GLU A 56 12.998 2.556 10.334 1.00 1.67 H new ATOM 0 HA GLU A 56 13.379 4.263 8.806 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.617 4.660 10.867 1.00 1.99 H new ATOM 0 HB3 GLU A 56 15.318 5.813 9.582 1.00 1.99 H new ATOM 0 HG2 GLU A 56 13.998 5.733 12.069 1.00 2.69 H new ATOM 0 HG3 GLU A 56 13.514 6.683 10.679 1.00 2.69 H new ATOM 868 N GLY A 57 15.260 2.254 7.895 1.00 1.58 N ATOM 869 CA GLY A 57 16.189 1.788 6.829 1.00 2.25 C ATOM 870 C GLY A 57 15.817 2.489 5.519 1.00 1.97 C ATOM 871 O GLY A 57 16.631 2.647 4.631 1.00 2.50 O ATOM 0 H GLY A 57 14.650 1.536 8.287 1.00 1.58 H new ATOM 0 HA2 GLY A 57 17.220 2.014 7.100 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.120 0.706 6.713 1.00 2.25 H new ATOM 875 N SER A 58 14.587 2.917 5.399 1.00 1.30 N ATOM 876 CA SER A 58 14.146 3.615 4.160 1.00 1.23 C ATOM 877 C SER A 58 13.087 4.662 4.513 1.00 1.03 C ATOM 878 O SER A 58 12.635 4.744 5.637 1.00 1.27 O ATOM 879 CB SER A 58 13.548 2.521 3.276 1.00 1.53 C ATOM 880 OG SER A 58 14.020 2.676 1.946 1.00 2.13 O ATOM 0 H SER A 58 13.866 2.811 6.113 1.00 1.30 H new ATOM 0 HA SER A 58 14.962 4.134 3.658 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.824 1.538 3.659 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.460 2.577 3.296 1.00 1.53 H new ATOM 0 HG SER A 58 13.798 1.876 1.425 1.00 2.13 H new ATOM 886 N GLU A 59 12.689 5.461 3.564 1.00 0.85 N ATOM 887 CA GLU A 59 11.657 6.500 3.855 1.00 0.87 C ATOM 888 C GLU A 59 10.301 6.099 3.264 1.00 0.76 C ATOM 889 O GLU A 59 9.309 6.774 3.459 1.00 1.06 O ATOM 890 CB GLU A 59 12.178 7.772 3.185 1.00 1.10 C ATOM 891 CG GLU A 59 12.359 7.523 1.687 1.00 1.05 C ATOM 892 CD GLU A 59 10.990 7.332 1.031 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.147 6.696 1.640 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.809 7.826 -0.070 1.00 2.13 O ATOM 0 H GLU A 59 13.030 5.442 2.603 1.00 0.85 H new ATOM 0 HA GLU A 59 11.502 6.632 4.926 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.479 8.593 3.346 1.00 1.10 H new ATOM 0 HB3 GLU A 59 13.127 8.069 3.632 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.879 8.364 1.228 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.977 6.640 1.527 1.00 1.05 H new ATOM 901 N ILE A 60 10.243 5.010 2.543 1.00 0.59 N ATOM 902 CA ILE A 60 8.948 4.580 1.945 1.00 0.57 C ATOM 903 C ILE A 60 8.004 4.075 3.039 1.00 0.52 C ATOM 904 O ILE A 60 8.388 3.925 4.182 1.00 0.63 O ATOM 905 CB ILE A 60 9.314 3.443 0.989 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.434 3.893 0.045 1.00 1.46 C ATOM 907 CG2 ILE A 60 8.086 3.058 0.168 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.620 2.935 0.166 1.00 1.60 C ATOM 0 H ILE A 60 11.037 4.401 2.343 1.00 0.59 H new ATOM 0 HA ILE A 60 8.437 5.396 1.434 1.00 0.57 H new ATOM 0 HB ILE A 60 9.656 2.585 1.568 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.072 3.912 -0.983 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.746 4.908 0.292 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.344 2.248 -0.514 1.00 1.34 H new ATOM 0 HG22 ILE A 60 7.290 2.730 0.836 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.746 3.921 -0.405 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.416 3.255 -0.506 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.987 2.939 1.192 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.303 1.927 -0.102 1.00 1.60 H new ATOM 920 N ARG A 61 6.772 3.810 2.698 1.00 0.45 N ATOM 921 CA ARG A 61 5.807 3.313 3.718 1.00 0.45 C ATOM 922 C ARG A 61 4.672 2.536 3.046 1.00 0.41 C ATOM 923 O ARG A 61 4.234 2.867 1.962 1.00 0.55 O ATOM 924 CB ARG A 61 5.269 4.569 4.402 1.00 0.51 C ATOM 925 CG ARG A 61 5.851 4.665 5.812 1.00 0.75 C ATOM 926 CD ARG A 61 4.750 5.065 6.797 1.00 0.97 C ATOM 927 NE ARG A 61 5.447 5.858 7.847 1.00 1.30 N ATOM 928 CZ ARG A 61 5.216 5.618 9.109 1.00 1.66 C ATOM 929 NH1 ARG A 61 3.992 5.633 9.564 1.00 2.21 N ATOM 930 NH2 ARG A 61 6.208 5.358 9.917 1.00 2.19 N ATOM 0 H ARG A 61 6.393 3.916 1.757 1.00 0.45 H new ATOM 0 HA ARG A 61 6.275 2.632 4.429 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.536 5.454 3.825 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.180 4.535 4.447 1.00 0.51 H new ATOM 0 HG2 ARG A 61 6.283 3.708 6.104 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.657 5.399 5.834 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.975 5.654 6.306 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.262 4.188 7.222 1.00 0.97 H new ATOM 0 HE ARG A 61 6.106 6.590 7.580 1.00 1.30 H new ATOM 0 HH11 ARG A 61 3.216 5.832 8.933 1.00 2.21 H new ATOM 0 HH12 ARG A 61 3.812 5.445 10.550 1.00 2.21 H new ATOM 0 HH21 ARG A 61 7.164 5.342 9.562 1.00 2.19 H new ATOM 0 HH22 ARG A 61 6.027 5.171 10.903 1.00 2.19 H new ATOM 944 N LEU A 62 4.195 1.502 3.684 1.00 0.35 N ATOM 945 CA LEU A 62 3.090 0.702 3.089 1.00 0.36 C ATOM 946 C LEU A 62 1.766 1.040 3.778 1.00 0.32 C ATOM 947 O LEU A 62 1.743 1.638 4.835 1.00 0.38 O ATOM 948 CB LEU A 62 3.478 -0.756 3.342 1.00 0.48 C ATOM 949 CG LEU A 62 4.815 -1.052 2.658 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.474 -2.262 3.325 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.575 -1.353 1.177 1.00 1.59 C ATOM 0 H LEU A 62 4.524 1.177 4.593 1.00 0.35 H new ATOM 0 HA LEU A 62 2.953 0.906 2.027 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.556 -0.943 4.413 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.705 -1.422 2.958 1.00 0.48 H new ATOM 0 HG LEU A 62 5.470 -0.186 2.751 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.426 -2.472 2.838 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.646 -2.047 4.380 1.00 1.22 H new ATOM 0 HD13 LEU A 62 4.820 -3.129 3.233 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.527 -1.564 0.690 1.00 1.59 H new ATOM 0 HD22 LEU A 62 3.920 -2.219 1.083 1.00 1.59 H new ATOM 0 HD23 LEU A 62 4.107 -0.491 0.702 1.00 1.59 H new ATOM 963 N ALA A 63 0.663 0.665 3.190 1.00 0.30 N ATOM 964 CA ALA A 63 -0.653 0.974 3.822 1.00 0.32 C ATOM 965 C ALA A 63 -1.729 0.012 3.308 1.00 0.31 C ATOM 966 O ALA A 63 -1.510 -0.733 2.373 1.00 0.37 O ATOM 967 CB ALA A 63 -0.969 2.409 3.399 1.00 0.37 C ATOM 0 H ALA A 63 0.615 0.161 2.305 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.625 0.866 4.906 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -1.925 2.712 3.825 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.185 3.075 3.758 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.023 2.464 2.312 1.00 0.37 H new ATOM 973 N LYS A 64 -2.891 0.018 3.908 1.00 0.30 N ATOM 974 CA LYS A 64 -3.965 -0.904 3.442 1.00 0.32 C ATOM 975 C LYS A 64 -5.346 -0.343 3.794 1.00 0.32 C ATOM 976 O LYS A 64 -5.510 0.380 4.759 1.00 0.40 O ATOM 977 CB LYS A 64 -3.709 -2.213 4.187 1.00 0.38 C ATOM 978 CG LYS A 64 -3.708 -1.950 5.695 1.00 1.39 C ATOM 979 CD LYS A 64 -4.244 -3.181 6.430 1.00 1.60 C ATOM 980 CE LYS A 64 -3.276 -4.351 6.236 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.852 -5.462 7.044 1.00 2.26 N ATOM 0 H LYS A 64 -3.140 0.617 4.695 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.951 -1.039 2.360 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.478 -2.944 3.935 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.753 -2.637 3.880 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.697 -1.723 6.034 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.324 -1.080 5.923 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.360 -2.963 7.492 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -5.231 -3.444 6.049 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.196 -4.627 5.185 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.273 -4.094 6.576 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.126 -6.189 7.202 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.177 -5.093 7.960 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.656 -5.881 6.535 1.00 2.26 H new ATOM 995 N VAL A 65 -6.341 -0.676 3.017 1.00 0.30 N ATOM 996 CA VAL A 65 -7.716 -0.170 3.303 1.00 0.32 C ATOM 997 C VAL A 65 -8.732 -1.306 3.179 1.00 0.31 C ATOM 998 O VAL A 65 -8.629 -2.156 2.316 1.00 0.36 O ATOM 999 CB VAL A 65 -7.990 0.911 2.245 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -7.686 0.361 0.849 1.00 0.70 C ATOM 1001 CG2 VAL A 65 -9.466 1.335 2.306 1.00 0.45 C ATOM 0 H VAL A 65 -6.262 -1.277 2.196 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.798 0.228 4.314 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.352 1.771 2.446 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -7.882 1.132 0.104 1.00 0.70 H new ATOM 0 HG12 VAL A 65 -6.639 0.063 0.796 1.00 0.70 H new ATOM 0 HG13 VAL A 65 -8.320 -0.503 0.652 1.00 0.70 H new ATOM 0 HG21 VAL A 65 -9.656 2.101 1.554 1.00 0.45 H new ATOM 0 HG22 VAL A 65 -10.101 0.471 2.111 1.00 0.45 H new ATOM 0 HG23 VAL A 65 -9.689 1.734 3.295 1.00 0.45 H new ATOM 1011 N ASP A 66 -9.724 -1.313 4.023 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.761 -2.379 3.940 1.00 0.39 C ATOM 1013 C ASP A 66 -11.752 -2.036 2.825 1.00 0.40 C ATOM 1014 O ASP A 66 -12.697 -1.299 3.023 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.453 -2.376 5.303 1.00 0.47 C ATOM 1016 CG ASP A 66 -11.118 -3.669 6.047 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -11.032 -4.699 5.397 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.951 -3.609 7.254 1.00 1.38 O ATOM 0 H ASP A 66 -9.862 -0.628 4.766 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.341 -3.359 3.712 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.128 -1.514 5.886 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.532 -2.286 5.175 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.531 -2.557 1.650 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.441 -2.257 0.504 1.00 0.46 C ATOM 1025 C ALA A 67 -13.909 -2.447 0.903 1.00 0.51 C ATOM 1026 O ALA A 67 -14.797 -1.854 0.324 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.048 -3.259 -0.580 1.00 0.51 C ATOM 0 H ALA A 67 -10.755 -3.182 1.431 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.345 -1.224 0.169 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -12.672 -3.106 -1.461 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.001 -3.114 -0.847 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.190 -4.273 -0.207 1.00 0.51 H new ATOM 1033 N THR A 68 -14.172 -3.266 1.882 1.00 0.53 N ATOM 1034 CA THR A 68 -15.586 -3.485 2.305 1.00 0.62 C ATOM 1035 C THR A 68 -16.037 -2.353 3.232 1.00 0.64 C ATOM 1036 O THR A 68 -17.212 -2.071 3.359 1.00 0.86 O ATOM 1037 CB THR A 68 -15.574 -4.816 3.055 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.373 -4.920 3.806 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.657 -5.970 2.055 1.00 1.35 C ATOM 0 H THR A 68 -13.473 -3.792 2.407 1.00 0.53 H new ATOM 0 HA THR A 68 -16.274 -3.501 1.459 1.00 0.62 H new ATOM 0 HB THR A 68 -16.430 -4.863 3.728 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.578 -4.848 4.762 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.648 -6.918 2.592 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.579 -5.887 1.480 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.803 -5.928 1.379 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.109 -1.705 3.878 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.479 -0.592 4.798 1.00 0.61 C ATOM 1049 C GLU A 69 -15.209 0.757 4.128 1.00 0.57 C ATOM 1050 O GLU A 69 -15.818 1.756 4.454 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.578 -0.779 6.019 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.369 -0.465 7.290 1.00 0.83 C ATOM 1053 CD GLU A 69 -15.435 1.051 7.485 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.393 1.646 7.704 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -16.526 1.592 7.410 1.00 2.22 O ATOM 0 H GLU A 69 -14.110 -1.897 3.809 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.536 -0.605 5.065 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.203 -1.802 6.055 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.710 -0.124 5.947 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.375 -0.878 7.217 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.894 -0.933 8.152 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.295 0.796 3.195 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.987 2.083 2.510 1.00 0.57 C ATOM 1064 C GLU A 70 -14.060 1.912 0.990 1.00 0.72 C ATOM 1065 O GLU A 70 -13.251 2.443 0.256 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.563 2.423 2.943 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.535 2.638 4.456 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.788 1.481 5.125 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.903 0.368 4.637 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.116 1.728 6.112 1.00 1.89 O ATOM 0 H GLU A 70 -13.750 -0.006 2.879 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.696 2.869 2.770 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.884 1.617 2.666 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.219 3.321 2.430 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.046 3.584 4.690 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.552 2.700 4.844 1.00 1.05 H new ATOM 1077 N SER A 71 -15.026 1.177 0.513 1.00 0.55 N ATOM 1078 CA SER A 71 -15.150 0.975 -0.959 1.00 0.66 C ATOM 1079 C SER A 71 -15.245 2.327 -1.672 1.00 0.70 C ATOM 1080 O SER A 71 -14.965 2.441 -2.849 1.00 0.94 O ATOM 1081 CB SER A 71 -16.444 0.183 -1.142 1.00 0.79 C ATOM 1082 OG SER A 71 -16.927 0.376 -2.465 1.00 1.48 O ATOM 0 H SER A 71 -15.734 0.708 1.077 1.00 0.55 H new ATOM 0 HA SER A 71 -14.289 0.454 -1.378 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.265 -0.876 -0.958 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.190 0.510 -0.418 1.00 0.79 H new ATOM 0 HG SER A 71 -17.756 -0.131 -2.588 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.638 3.353 -0.968 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.752 4.697 -1.605 1.00 0.71 C ATOM 1090 C ASP A 72 -14.443 5.062 -2.308 1.00 0.68 C ATOM 1091 O ASP A 72 -14.439 5.590 -3.402 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.027 5.659 -0.450 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.500 5.565 -0.048 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.984 4.455 0.098 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -18.118 6.605 0.108 1.00 1.57 O ATOM 0 H ASP A 72 -15.885 3.319 0.021 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.537 4.731 -2.360 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.391 5.414 0.400 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.784 6.679 -0.747 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.333 4.784 -1.685 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.022 5.113 -2.314 1.00 0.68 C ATOM 1102 C LEU A 73 -11.692 4.090 -3.401 1.00 0.60 C ATOM 1103 O LEU A 73 -11.146 4.420 -4.435 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.002 5.040 -1.174 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.437 5.971 -0.039 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.268 5.253 1.302 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.575 7.234 -0.053 1.00 0.97 C ATOM 0 H LEU A 73 -13.276 4.343 -0.767 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.025 6.094 -2.790 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.922 4.016 -0.808 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.015 5.327 -1.536 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.483 6.245 -0.176 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.577 5.915 2.111 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -11.884 4.354 1.313 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.222 4.978 1.438 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.886 7.896 0.755 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.528 6.962 0.083 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.695 7.746 -1.008 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.028 2.851 -3.177 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.747 1.804 -4.199 1.00 0.56 C ATOM 1121 C ALA A 74 -12.675 1.989 -5.400 1.00 0.59 C ATOM 1122 O ALA A 74 -12.320 1.698 -6.524 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.036 0.476 -3.497 1.00 0.60 C ATOM 0 H ALA A 74 -12.486 2.517 -2.329 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.724 1.850 -4.572 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.852 -0.348 -4.187 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.385 0.374 -2.628 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.077 0.454 -3.175 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.864 2.479 -5.169 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.814 2.690 -6.297 1.00 0.76 C ATOM 1131 C GLN A 75 -14.336 3.851 -7.172 1.00 0.78 C ATOM 1132 O GLN A 75 -14.509 3.848 -8.375 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.148 3.032 -5.635 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.182 3.362 -6.713 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.486 3.815 -6.051 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.745 3.491 -4.909 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.322 4.555 -6.726 1.00 2.40 N ATOM 0 H GLN A 75 -14.217 2.742 -4.249 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.894 1.814 -6.941 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.492 2.193 -5.031 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.025 3.880 -4.962 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.803 4.147 -7.367 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.364 2.487 -7.337 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.104 4.826 -7.685 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.194 4.862 -6.295 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.732 4.843 -6.577 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.239 6.002 -7.375 1.00 0.84 C ATOM 1148 C GLN A 76 -12.086 5.560 -8.276 1.00 0.83 C ATOM 1149 O GLN A 76 -11.949 6.015 -9.396 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.756 7.020 -6.341 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.551 8.318 -6.494 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.934 8.849 -5.112 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.235 9.666 -4.546 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -15.023 8.416 -4.538 1.00 1.97 N ATOM 0 H GLN A 76 -13.559 4.901 -5.574 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.010 6.420 -8.023 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.882 6.620 -5.335 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.692 7.215 -6.476 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.957 9.060 -7.028 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.447 8.140 -7.088 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.611 7.730 -5.012 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -15.286 8.763 -3.616 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.261 4.674 -7.798 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.116 4.194 -8.623 1.00 0.81 C ATOM 1165 C TYR A 77 -10.601 3.176 -9.659 1.00 0.83 C ATOM 1166 O TYR A 77 -9.940 2.919 -10.646 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.161 3.533 -7.628 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.356 4.597 -6.923 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.681 5.570 -7.669 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.284 4.609 -5.526 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -6.934 6.558 -7.016 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.538 5.598 -4.873 1.00 1.19 C ATOM 1173 CZ TYR A 77 -6.863 6.572 -5.618 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.127 7.546 -4.974 1.00 1.22 O ATOM 0 H TYR A 77 -11.329 4.259 -6.869 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.636 5.003 -9.174 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.724 2.946 -6.902 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.496 2.844 -8.148 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.736 5.559 -8.748 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.803 3.856 -4.952 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.413 7.309 -7.591 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.483 5.609 -3.794 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.172 7.341 -5.055 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.750 2.592 -9.444 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.271 1.591 -10.416 1.00 0.87 C ATOM 1186 C GLY A 78 -11.495 0.282 -10.263 1.00 0.88 C ATOM 1187 O GLY A 78 -11.225 -0.408 -11.225 1.00 1.52 O ATOM 0 H GLY A 78 -12.349 2.766 -8.637 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.333 1.419 -10.243 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -12.171 1.969 -11.433 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.134 -0.065 -9.057 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.376 -1.329 -8.841 1.00 0.79 C ATOM 1193 C VAL A 79 -11.142 -2.514 -9.435 1.00 1.13 C ATOM 1194 O VAL A 79 -12.332 -2.442 -9.666 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.258 -1.468 -7.320 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -9.584 -0.221 -6.743 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -11.651 -1.623 -6.705 1.00 1.30 C ATOM 0 H VAL A 79 -11.332 0.473 -8.213 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.399 -1.312 -9.323 1.00 0.79 H new ATOM 0 HB VAL A 79 -9.660 -2.348 -7.086 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.500 -0.320 -5.661 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -8.589 -0.112 -7.175 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -10.182 0.659 -6.981 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -11.562 -1.722 -5.623 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -12.253 -0.745 -6.941 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -12.132 -2.513 -7.112 1.00 1.30 H new ATOM 1207 N ARG A 80 -10.467 -3.603 -9.686 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.157 -4.790 -10.265 1.00 1.72 C ATOM 1209 C ARG A 80 -11.128 -5.953 -9.270 1.00 1.38 C ATOM 1210 O ARG A 80 -10.583 -7.003 -9.543 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.357 -5.141 -11.520 1.00 2.38 C ATOM 1212 CG ARG A 80 -10.953 -4.413 -12.726 1.00 2.85 C ATOM 1213 CD ARG A 80 -10.917 -5.334 -13.948 1.00 3.49 C ATOM 1214 NE ARG A 80 -9.667 -4.968 -14.670 1.00 4.06 N ATOM 1215 CZ ARG A 80 -9.212 -5.741 -15.618 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -9.822 -5.788 -16.770 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -8.147 -6.467 -15.412 1.00 5.25 N ATOM 0 H ARG A 80 -9.468 -3.722 -9.515 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.204 -4.589 -10.492 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -9.313 -4.857 -11.390 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.376 -6.218 -11.686 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -11.979 -4.114 -12.513 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -10.391 -3.501 -12.928 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -10.909 -6.383 -13.652 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -11.794 -5.188 -14.578 1.00 3.49 H new ATOM 0 HE ARG A 80 -9.167 -4.114 -14.424 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -10.654 -5.221 -16.930 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -9.467 -6.392 -17.511 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -7.671 -6.430 -14.511 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -7.791 -7.071 -16.152 1.00 5.25 H new ATOM 1231 N GLY A 81 -11.711 -5.773 -8.116 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.716 -6.867 -7.104 1.00 0.81 C ATOM 1233 C GLY A 81 -10.530 -6.690 -6.156 1.00 0.74 C ATOM 1234 O GLY A 81 -9.837 -5.692 -6.190 1.00 1.17 O ATOM 0 H GLY A 81 -12.184 -4.916 -7.831 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.650 -6.853 -6.542 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.657 -7.836 -7.600 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.291 -7.652 -5.307 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.148 -7.539 -4.351 1.00 0.52 C ATOM 1240 C TYR A 82 -8.179 -8.717 -4.550 1.00 0.54 C ATOM 1241 O TYR A 82 -8.570 -9.742 -5.071 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.774 -7.597 -2.947 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.962 -6.660 -2.851 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.947 -5.425 -3.516 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.083 -7.034 -2.102 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.051 -4.570 -3.432 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.188 -6.177 -2.016 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.172 -4.946 -2.682 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.262 -4.103 -2.600 1.00 0.85 O ATOM 0 H TYR A 82 -10.836 -8.511 -5.232 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.582 -6.620 -4.501 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.090 -8.617 -2.726 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.029 -7.325 -2.200 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.082 -5.134 -4.094 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.097 -7.985 -1.589 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.039 -3.620 -3.946 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.052 -6.466 -1.436 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.954 -4.516 -2.042 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.937 -8.548 -4.133 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.462 -7.295 -3.497 1.00 0.51 C ATOM 1261 C PRO A 83 -5.910 -6.330 -4.553 1.00 0.51 C ATOM 1262 O PRO A 83 -5.227 -6.732 -5.474 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.343 -7.781 -2.583 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.848 -9.066 -3.191 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.858 -9.530 -4.218 1.00 0.64 C ATOM 0 HA PRO A 83 -7.248 -6.753 -2.971 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.542 -7.044 -2.519 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.709 -7.943 -1.569 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.875 -8.914 -3.658 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.716 -9.824 -2.419 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.424 -9.559 -5.218 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.217 -10.535 -3.997 1.00 0.64 H new ATOM 1273 N THR A 84 -6.189 -5.060 -4.426 1.00 0.45 N ATOM 1274 CA THR A 84 -5.663 -4.082 -5.424 1.00 0.45 C ATOM 1275 C THR A 84 -4.550 -3.243 -4.790 1.00 0.43 C ATOM 1276 O THR A 84 -4.788 -2.445 -3.906 1.00 0.52 O ATOM 1277 CB THR A 84 -6.854 -3.194 -5.802 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.067 -3.914 -5.624 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.725 -2.764 -7.264 1.00 0.56 C ATOM 0 H THR A 84 -6.755 -4.658 -3.679 1.00 0.45 H new ATOM 0 HA THR A 84 -5.242 -4.576 -6.299 1.00 0.45 H new ATOM 0 HB THR A 84 -6.863 -2.312 -5.162 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.106 -4.653 -6.267 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.572 -2.133 -7.534 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.799 -2.206 -7.399 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.713 -3.647 -7.903 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.333 -3.423 -5.229 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.204 -2.643 -4.643 1.00 0.41 C ATOM 1289 C ILE A 85 -1.817 -1.477 -5.560 1.00 0.41 C ATOM 1290 O ILE A 85 -1.505 -1.663 -6.719 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.051 -3.641 -4.535 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.450 -4.781 -3.596 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.188 -2.937 -3.977 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.202 -5.855 -4.386 1.00 1.27 C ATOM 0 H ILE A 85 -3.072 -4.076 -5.968 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.466 -2.208 -3.678 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.827 -4.041 -5.524 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.563 -5.211 -3.131 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.078 -4.400 -2.791 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.009 -3.650 -3.901 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.475 -2.123 -4.643 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.036 -2.535 -2.989 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.486 -6.667 -3.717 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.098 -5.420 -4.830 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.558 -6.244 -5.175 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.828 -0.279 -5.042 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.452 0.902 -5.873 1.00 0.40 C ATOM 1308 C LYS A 86 -0.373 1.717 -5.153 1.00 0.38 C ATOM 1309 O LYS A 86 -0.452 1.949 -3.963 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.739 1.717 -6.014 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.245 1.632 -7.456 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.051 2.889 -7.787 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.538 2.537 -7.866 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.769 2.175 -9.292 1.00 1.73 N ATOM 0 H LYS A 86 -2.082 -0.066 -4.077 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.048 0.618 -6.845 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.498 1.339 -5.329 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.555 2.757 -5.743 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -2.404 1.535 -8.143 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.865 0.745 -7.584 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.887 3.650 -7.024 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -3.715 3.310 -8.735 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.784 1.708 -7.203 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.160 3.380 -7.566 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.768 1.920 -9.428 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.533 2.986 -9.899 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.168 1.365 -9.546 1.00 1.73 H new ATOM 1328 N PHE A 87 0.639 2.147 -5.858 1.00 0.37 N ATOM 1329 CA PHE A 87 1.720 2.937 -5.197 1.00 0.36 C ATOM 1330 C PHE A 87 1.450 4.439 -5.325 1.00 0.33 C ATOM 1331 O PHE A 87 1.167 4.944 -6.393 1.00 0.37 O ATOM 1332 CB PHE A 87 3.006 2.552 -5.935 1.00 0.42 C ATOM 1333 CG PHE A 87 4.157 3.398 -5.432 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.306 3.639 -4.060 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.071 3.944 -6.341 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.368 4.425 -3.599 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.133 4.730 -5.880 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.282 4.971 -4.509 1.00 0.72 C ATOM 0 H PHE A 87 0.765 1.987 -6.858 1.00 0.37 H new ATOM 0 HA PHE A 87 1.784 2.725 -4.130 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.224 1.495 -5.779 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.878 2.696 -7.008 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.601 3.218 -3.358 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.956 3.758 -7.399 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.483 4.611 -2.541 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.838 5.151 -6.582 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.102 5.578 -4.153 1.00 0.72 H new ATOM 1348 N PHE A 88 1.541 5.153 -4.237 1.00 0.33 N ATOM 1349 CA PHE A 88 1.296 6.619 -4.280 1.00 0.35 C ATOM 1350 C PHE A 88 2.525 7.378 -3.769 1.00 0.42 C ATOM 1351 O PHE A 88 3.405 6.810 -3.155 1.00 0.61 O ATOM 1352 CB PHE A 88 0.112 6.833 -3.346 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.157 6.425 -4.050 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.777 7.305 -4.945 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.711 5.165 -3.809 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -2.953 6.920 -5.599 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -2.885 4.780 -4.463 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.508 5.658 -5.358 1.00 0.62 C ATOM 0 H PHE A 88 1.776 4.781 -3.317 1.00 0.33 H new ATOM 0 HA PHE A 88 1.100 6.981 -5.289 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.241 6.247 -2.436 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.055 7.879 -3.046 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.349 8.279 -5.130 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.232 4.488 -3.117 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.433 7.597 -6.290 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.311 3.805 -4.278 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.416 5.362 -5.862 1.00 0.62 H new ATOM 1368 N ARG A 89 2.590 8.659 -4.015 1.00 0.47 N ATOM 1369 CA ARG A 89 3.761 9.452 -3.538 1.00 0.55 C ATOM 1370 C ARG A 89 3.338 10.897 -3.250 1.00 0.64 C ATOM 1371 O ARG A 89 2.827 11.588 -4.108 1.00 1.05 O ATOM 1372 CB ARG A 89 4.773 9.397 -4.688 1.00 0.73 C ATOM 1373 CG ARG A 89 5.949 10.336 -4.395 1.00 1.15 C ATOM 1374 CD ARG A 89 5.634 11.734 -4.935 1.00 1.42 C ATOM 1375 NE ARG A 89 6.846 12.132 -5.704 1.00 1.73 N ATOM 1376 CZ ARG A 89 6.823 13.202 -6.452 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.923 13.324 -7.390 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.700 14.150 -6.264 1.00 2.43 N ATOM 0 H ARG A 89 1.884 9.190 -4.525 1.00 0.47 H new ATOM 0 HA ARG A 89 4.181 9.058 -2.613 1.00 0.55 H new ATOM 0 HB2 ARG A 89 5.135 8.377 -4.817 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.291 9.685 -5.622 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.132 10.382 -3.322 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.858 9.952 -4.858 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.749 11.721 -5.572 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.433 12.434 -4.124 1.00 1.42 H new ATOM 0 HE ARG A 89 7.694 11.568 -5.646 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.238 12.583 -7.539 1.00 2.56 H new ATOM 0 HH12 ARG A 89 5.905 14.160 -7.974 1.00 2.56 H new ATOM 0 HH21 ARG A 89 8.404 14.055 -5.532 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.681 14.985 -6.849 1.00 2.43 H new ATOM 1392 N ASN A 90 3.550 11.356 -2.045 1.00 0.57 N ATOM 1393 CA ASN A 90 3.164 12.754 -1.695 1.00 0.68 C ATOM 1394 C ASN A 90 1.709 13.023 -2.089 1.00 0.69 C ATOM 1395 O ASN A 90 1.365 14.098 -2.538 1.00 0.98 O ATOM 1396 CB ASN A 90 4.113 13.641 -2.502 1.00 0.87 C ATOM 1397 CG ASN A 90 3.872 15.109 -2.143 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.769 15.952 -3.013 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.776 15.454 -0.888 1.00 1.74 N ATOM 0 H ASN A 90 3.975 10.822 -1.287 1.00 0.57 H new ATOM 0 HA ASN A 90 3.238 12.944 -0.624 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.148 13.370 -2.292 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.953 13.486 -3.569 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.615 16.430 -0.638 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.862 14.748 -0.157 1.00 1.74 H new ATOM 1406 N GLY A 91 0.852 12.052 -1.923 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.580 12.251 -2.285 1.00 0.75 C ATOM 1408 C GLY A 91 -0.685 12.679 -3.748 1.00 0.79 C ATOM 1409 O GLY A 91 -0.820 13.846 -4.057 1.00 1.19 O ATOM 0 H GLY A 91 1.082 11.130 -1.552 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.138 11.328 -2.125 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.026 13.009 -1.641 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.631 11.742 -4.651 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.731 12.091 -6.097 1.00 1.27 C ATOM 1415 C ASP A 92 -2.198 12.102 -6.532 1.00 1.14 C ATOM 1416 O ASP A 92 -2.709 13.100 -7.000 1.00 1.70 O ATOM 1417 CB ASP A 92 0.036 10.987 -6.823 1.00 1.93 C ATOM 1418 CG ASP A 92 1.062 11.615 -7.768 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.720 12.587 -8.421 1.00 2.41 O ATOM 1420 OD2 ASP A 92 2.172 11.112 -7.822 1.00 2.68 O ATOM 0 H ASP A 92 -0.522 10.748 -4.451 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.326 13.079 -6.316 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.538 10.343 -6.101 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.655 10.359 -7.385 1.00 1.93 H new ATOM 1425 N THR A 93 -2.880 10.999 -6.377 1.00 0.96 N ATOM 1426 CA THR A 93 -4.317 10.943 -6.779 1.00 1.33 C ATOM 1427 C THR A 93 -4.482 11.432 -8.221 1.00 1.26 C ATOM 1428 O THR A 93 -5.435 12.107 -8.553 1.00 1.90 O ATOM 1429 CB THR A 93 -5.064 11.874 -5.810 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.229 12.212 -4.706 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.319 11.170 -5.294 1.00 1.92 C ATOM 0 H THR A 93 -2.505 10.133 -5.989 1.00 0.96 H new ATOM 0 HA THR A 93 -4.707 9.926 -6.735 1.00 1.33 H new ATOM 0 HB THR A 93 -5.340 12.786 -6.340 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.716 12.806 -4.098 1.00 2.10 H new ATOM 0 HG21 THR A 93 -6.849 11.829 -4.607 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.969 10.923 -6.134 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.035 10.256 -4.773 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.557 11.099 -9.080 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.661 11.547 -10.498 1.00 1.18 C ATOM 1441 C ALA A 94 -2.858 10.618 -11.411 1.00 1.14 C ATOM 1442 O ALA A 94 -3.346 10.144 -12.417 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.073 12.958 -10.510 1.00 1.24 C ATOM 0 H ALA A 94 -2.735 10.537 -8.861 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.688 11.531 -10.862 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.113 13.360 -11.522 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.650 13.598 -9.842 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.037 12.923 -10.174 1.00 1.24 H new ATOM 1449 N SER A 95 -1.632 10.352 -11.063 1.00 1.20 N ATOM 1450 CA SER A 95 -0.795 9.450 -11.907 1.00 1.22 C ATOM 1451 C SER A 95 -0.121 8.384 -11.032 1.00 0.98 C ATOM 1452 O SER A 95 1.088 8.262 -11.033 1.00 0.98 O ATOM 1453 CB SER A 95 0.252 10.360 -12.549 1.00 1.48 C ATOM 1454 OG SER A 95 0.639 9.823 -13.805 1.00 2.01 O ATOM 0 H SER A 95 -1.171 10.719 -10.231 1.00 1.20 H new ATOM 0 HA SER A 95 -1.384 8.921 -12.656 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.154 11.363 -12.680 1.00 1.48 H new ATOM 0 HB3 SER A 95 1.121 10.450 -11.897 1.00 1.48 H new ATOM 0 HG SER A 95 1.309 10.407 -14.218 1.00 2.01 H new ATOM 1460 N PRO A 96 -0.928 7.644 -10.310 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.393 6.579 -9.424 1.00 0.72 C ATOM 1462 C PRO A 96 0.119 5.398 -10.255 1.00 0.65 C ATOM 1463 O PRO A 96 -0.242 5.233 -11.403 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.601 6.169 -8.586 1.00 0.79 C ATOM 1465 CG PRO A 96 -2.789 6.531 -9.420 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.397 7.724 -10.248 1.00 1.02 C ATOM 0 HA PRO A 96 0.449 6.911 -8.816 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.584 5.102 -8.364 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.615 6.693 -7.630 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.081 5.697 -10.059 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.647 6.764 -8.789 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -2.842 7.684 -11.242 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -2.727 8.655 -9.788 1.00 1.02 H new ATOM 1474 N LYS A 97 0.955 4.575 -9.683 1.00 0.55 N ATOM 1475 CA LYS A 97 1.488 3.406 -10.441 1.00 0.57 C ATOM 1476 C LYS A 97 0.779 2.123 -10.005 1.00 0.53 C ATOM 1477 O LYS A 97 -0.024 2.124 -9.094 1.00 0.89 O ATOM 1478 CB LYS A 97 2.972 3.345 -10.082 1.00 0.68 C ATOM 1479 CG LYS A 97 3.743 4.359 -10.930 1.00 0.85 C ATOM 1480 CD LYS A 97 3.903 3.818 -12.352 1.00 1.63 C ATOM 1481 CE LYS A 97 3.111 4.696 -13.325 1.00 2.05 C ATOM 1482 NZ LYS A 97 3.224 4.010 -14.642 1.00 2.61 N ATOM 0 H LYS A 97 1.292 4.661 -8.724 1.00 0.55 H new ATOM 0 HA LYS A 97 1.331 3.505 -11.515 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.110 3.561 -9.023 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.358 2.341 -10.256 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.213 5.311 -10.949 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.722 4.548 -10.489 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.956 3.806 -12.631 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.548 2.789 -12.403 1.00 1.63 H new ATOM 0 HE2 LYS A 97 2.070 4.788 -13.016 1.00 2.05 H new ATOM 0 HE3 LYS A 97 3.521 5.705 -13.369 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 2.706 4.553 -15.362 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 4.226 3.943 -14.914 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 2.820 3.054 -14.571 1.00 2.61 H new ATOM 1496 N GLU A 98 1.072 1.030 -10.652 1.00 0.51 N ATOM 1497 CA GLU A 98 0.418 -0.257 -10.278 1.00 0.48 C ATOM 1498 C GLU A 98 1.474 -1.298 -9.899 1.00 0.45 C ATOM 1499 O GLU A 98 2.319 -1.659 -10.695 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.341 -0.694 -11.531 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.085 -2.000 -11.245 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.298 -1.718 -10.355 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.661 -0.560 -10.224 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -2.846 -2.667 -9.818 1.00 2.79 O ATOM 0 H GLU A 98 1.736 0.971 -11.424 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.243 -0.149 -9.418 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.046 0.081 -11.831 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.353 -0.832 -12.360 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.407 -2.459 -12.180 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.419 -2.709 -10.754 1.00 1.33 H new ATOM 1511 N TYR A 99 1.432 -1.784 -8.689 1.00 0.45 N ATOM 1512 CA TYR A 99 2.431 -2.802 -8.254 1.00 0.46 C ATOM 1513 C TYR A 99 2.298 -4.070 -9.105 1.00 0.53 C ATOM 1514 O TYR A 99 1.230 -4.633 -9.233 1.00 0.67 O ATOM 1515 CB TYR A 99 2.078 -3.092 -6.794 1.00 0.52 C ATOM 1516 CG TYR A 99 2.999 -4.155 -6.240 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.372 -4.108 -6.511 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.476 -5.186 -5.452 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.222 -5.093 -5.992 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.325 -6.171 -4.933 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.697 -6.124 -5.203 1.00 1.70 C ATOM 1522 OH TYR A 99 5.534 -7.095 -4.690 1.00 2.27 O ATOM 0 H TYR A 99 0.747 -1.520 -7.981 1.00 0.45 H new ATOM 0 HA TYR A 99 3.458 -2.455 -8.366 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.164 -2.180 -6.203 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.042 -3.423 -6.721 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.775 -3.313 -7.120 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.417 -5.222 -5.244 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.281 -5.057 -6.200 1.00 1.49 H new ATOM 0 HE2 TYR A 99 2.921 -6.967 -4.325 1.00 2.05 H new ATOM 0 HH TYR A 99 5.151 -7.981 -4.861 1.00 2.27 H new ATOM 1532 N THR A 100 3.374 -4.522 -9.692 1.00 0.60 N ATOM 1533 CA THR A 100 3.303 -5.751 -10.534 1.00 0.72 C ATOM 1534 C THR A 100 4.638 -6.502 -10.498 1.00 0.83 C ATOM 1535 O THR A 100 5.202 -6.833 -11.522 1.00 1.71 O ATOM 1536 CB THR A 100 3.007 -5.251 -11.949 1.00 0.93 C ATOM 1537 OG1 THR A 100 2.911 -6.360 -12.831 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.131 -4.324 -12.411 1.00 1.13 C ATOM 0 H THR A 100 4.297 -4.094 -9.625 1.00 0.60 H new ATOM 0 HA THR A 100 2.541 -6.445 -10.180 1.00 0.72 H new ATOM 0 HB THR A 100 2.065 -4.703 -11.951 1.00 0.93 H new ATOM 0 HG1 THR A 100 3.748 -6.869 -12.808 1.00 1.36 H new ATOM 0 HG21 THR A 100 3.918 -3.969 -13.419 1.00 1.13 H new ATOM 0 HG22 THR A 100 4.202 -3.473 -11.734 1.00 1.13 H new ATOM 0 HG23 THR A 100 5.075 -4.868 -12.410 1.00 1.13 H new ATOM 1546 N ALA A 101 5.144 -6.775 -9.328 1.00 0.83 N ATOM 1547 CA ALA A 101 6.438 -7.509 -9.229 1.00 1.01 C ATOM 1548 C ALA A 101 6.181 -9.014 -9.138 1.00 1.36 C ATOM 1549 O ALA A 101 6.376 -9.748 -10.087 1.00 1.98 O ATOM 1550 CB ALA A 101 7.087 -6.996 -7.943 1.00 0.87 C ATOM 0 H ALA A 101 4.719 -6.522 -8.436 1.00 0.83 H new ATOM 0 HA ALA A 101 7.075 -7.346 -10.098 1.00 1.01 H new ATOM 0 HB1 ALA A 101 8.048 -7.490 -7.798 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.240 -5.919 -8.017 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.436 -7.212 -7.096 1.00 0.87 H new ATOM 1556 N GLY A 102 5.740 -9.475 -8.004 1.00 1.17 N ATOM 1557 CA GLY A 102 5.462 -10.932 -7.844 1.00 1.71 C ATOM 1558 C GLY A 102 4.382 -11.125 -6.779 1.00 1.08 C ATOM 1559 O GLY A 102 3.219 -10.862 -7.008 1.00 1.27 O ATOM 0 H GLY A 102 5.559 -8.906 -7.177 1.00 1.17 H new ATOM 0 HA2 GLY A 102 5.134 -11.358 -8.792 1.00 1.71 H new ATOM 0 HA3 GLY A 102 6.372 -11.458 -7.556 1.00 1.71 H new ATOM 1563 N ARG A 103 4.756 -11.581 -5.615 1.00 0.90 N ATOM 1564 CA ARG A 103 3.745 -11.787 -4.540 1.00 1.11 C ATOM 1565 C ARG A 103 4.437 -12.034 -3.195 1.00 0.94 C ATOM 1566 O ARG A 103 4.130 -12.977 -2.495 1.00 1.04 O ATOM 1567 CB ARG A 103 2.959 -13.022 -4.972 1.00 1.71 C ATOM 1568 CG ARG A 103 1.462 -12.718 -4.907 1.00 2.44 C ATOM 1569 CD ARG A 103 0.719 -13.940 -4.366 1.00 3.16 C ATOM 1570 NE ARG A 103 -0.554 -13.985 -5.137 1.00 3.73 N ATOM 1571 CZ ARG A 103 -0.967 -15.112 -5.647 1.00 4.34 C ATOM 1572 NH1 ARG A 103 -1.632 -15.958 -4.910 1.00 4.84 N ATOM 1573 NH2 ARG A 103 -0.714 -15.392 -6.897 1.00 4.81 N ATOM 0 H ARG A 103 5.715 -11.819 -5.362 1.00 0.90 H new ATOM 0 HA ARG A 103 3.102 -10.917 -4.407 1.00 1.11 H new ATOM 0 HB2 ARG A 103 3.240 -13.309 -5.985 1.00 1.71 H new ATOM 0 HB3 ARG A 103 3.199 -13.865 -4.324 1.00 1.71 H new ATOM 0 HG2 ARG A 103 1.282 -11.856 -4.265 1.00 2.44 H new ATOM 0 HG3 ARG A 103 1.088 -12.461 -5.898 1.00 2.44 H new ATOM 0 HD2 ARG A 103 1.300 -14.851 -4.509 1.00 3.16 H new ATOM 0 HD3 ARG A 103 0.530 -13.847 -3.297 1.00 3.16 H new ATOM 0 HE ARG A 103 -1.103 -13.135 -5.266 1.00 3.73 H new ATOM 0 HH11 ARG A 103 -1.830 -15.738 -3.934 1.00 4.84 H new ATOM 0 HH12 ARG A 103 -1.955 -16.839 -5.310 1.00 4.84 H new ATOM 0 HH21 ARG A 103 -0.194 -14.730 -7.473 1.00 4.81 H new ATOM 0 HH22 ARG A 103 -1.036 -16.273 -7.298 1.00 4.81 H new ATOM 1587 N GLU A 104 5.365 -11.192 -2.830 1.00 0.75 N ATOM 1588 CA GLU A 104 6.071 -11.383 -1.529 1.00 0.66 C ATOM 1589 C GLU A 104 6.659 -10.054 -1.042 1.00 0.56 C ATOM 1590 O GLU A 104 6.893 -9.148 -1.816 1.00 0.57 O ATOM 1591 CB GLU A 104 7.183 -12.390 -1.820 1.00 0.79 C ATOM 1592 CG GLU A 104 8.092 -11.849 -2.927 1.00 1.59 C ATOM 1593 CD GLU A 104 8.692 -13.020 -3.707 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.420 -13.794 -3.108 1.00 2.04 O ATOM 1595 OE2 GLU A 104 8.411 -13.125 -4.890 1.00 2.51 O ATOM 0 H GLU A 104 5.665 -10.383 -3.373 1.00 0.75 H new ATOM 0 HA GLU A 104 5.400 -11.736 -0.746 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.764 -12.575 -0.917 1.00 0.79 H new ATOM 0 HB3 GLU A 104 6.752 -13.344 -2.124 1.00 0.79 H new ATOM 0 HG2 GLU A 104 7.524 -11.204 -3.597 1.00 1.59 H new ATOM 0 HG3 GLU A 104 8.886 -11.240 -2.496 1.00 1.59 H new ATOM 1602 N ALA A 105 6.893 -9.935 0.240 1.00 0.50 N ATOM 1603 CA ALA A 105 7.462 -8.667 0.797 1.00 0.44 C ATOM 1604 C ALA A 105 8.626 -8.148 -0.057 1.00 0.45 C ATOM 1605 O ALA A 105 8.753 -6.963 -0.289 1.00 0.47 O ATOM 1606 CB ALA A 105 7.967 -9.047 2.190 1.00 0.47 C ATOM 0 H ALA A 105 6.714 -10.665 0.930 1.00 0.50 H new ATOM 0 HA ALA A 105 6.717 -7.871 0.816 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.402 -8.171 2.671 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.135 -9.415 2.791 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.724 -9.826 2.102 1.00 0.47 H new ATOM 1612 N ASP A 106 9.482 -9.020 -0.513 1.00 0.51 N ATOM 1613 CA ASP A 106 10.641 -8.563 -1.335 1.00 0.56 C ATOM 1614 C ASP A 106 10.167 -7.886 -2.622 1.00 0.54 C ATOM 1615 O ASP A 106 10.590 -6.797 -2.953 1.00 0.64 O ATOM 1616 CB ASP A 106 11.426 -9.834 -1.659 1.00 0.67 C ATOM 1617 CG ASP A 106 12.354 -10.171 -0.491 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.933 -9.251 0.064 1.00 1.82 O ATOM 1619 OD2 ASP A 106 12.471 -11.342 -0.171 1.00 2.02 O ATOM 0 H ASP A 106 9.431 -10.026 -0.354 1.00 0.51 H new ATOM 0 HA ASP A 106 11.246 -7.829 -0.804 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.740 -10.661 -1.843 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.007 -9.693 -2.570 1.00 0.67 H new ATOM 1624 N ASP A 107 9.301 -8.525 -3.352 1.00 0.50 N ATOM 1625 CA ASP A 107 8.810 -7.926 -4.627 1.00 0.52 C ATOM 1626 C ASP A 107 8.286 -6.508 -4.390 1.00 0.51 C ATOM 1627 O ASP A 107 8.500 -5.616 -5.186 1.00 0.63 O ATOM 1628 CB ASP A 107 7.687 -8.851 -5.094 1.00 0.55 C ATOM 1629 CG ASP A 107 8.293 -10.027 -5.862 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.006 -10.804 -5.248 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.037 -10.129 -7.050 1.00 1.41 O ATOM 0 H ASP A 107 8.909 -9.438 -3.123 1.00 0.50 H new ATOM 0 HA ASP A 107 9.601 -7.841 -5.372 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.119 -9.214 -4.238 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.991 -8.305 -5.731 1.00 0.55 H new ATOM 1636 N ILE A 108 7.607 -6.292 -3.302 1.00 0.46 N ATOM 1637 CA ILE A 108 7.077 -4.928 -3.017 1.00 0.52 C ATOM 1638 C ILE A 108 8.238 -3.950 -2.823 1.00 0.50 C ATOM 1639 O ILE A 108 8.259 -2.873 -3.386 1.00 0.52 O ATOM 1640 CB ILE A 108 6.271 -5.075 -1.728 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.085 -6.008 -1.980 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.757 -3.705 -1.286 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.433 -6.374 -0.646 1.00 0.68 C ATOM 0 H ILE A 108 7.395 -6.998 -2.597 1.00 0.46 H new ATOM 0 HA ILE A 108 6.465 -4.540 -3.831 1.00 0.52 H new ATOM 0 HB ILE A 108 6.906 -5.491 -0.946 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.358 -5.522 -2.631 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.420 -6.910 -2.493 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.182 -3.812 -0.366 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.602 -3.039 -1.111 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.120 -3.286 -2.065 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.588 -7.039 -0.824 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.162 -6.877 -0.010 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.084 -5.468 -0.151 1.00 0.68 H new ATOM 1655 N VAL A 109 9.212 -4.323 -2.039 1.00 0.51 N ATOM 1656 CA VAL A 109 10.376 -3.420 -1.820 1.00 0.56 C ATOM 1657 C VAL A 109 11.232 -3.382 -3.086 1.00 0.51 C ATOM 1658 O VAL A 109 11.785 -2.364 -3.448 1.00 0.55 O ATOM 1659 CB VAL A 109 11.155 -4.043 -0.661 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.442 -3.250 -0.426 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.297 -4.007 0.605 1.00 0.86 C ATOM 0 H VAL A 109 9.252 -5.213 -1.542 1.00 0.51 H new ATOM 0 HA VAL A 109 10.078 -2.396 -1.595 1.00 0.56 H new ATOM 0 HB VAL A 109 11.404 -5.076 -0.904 1.00 0.67 H new ATOM 0 HG11 VAL A 109 12.997 -3.694 0.400 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.053 -3.273 -1.328 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.194 -2.217 -0.182 1.00 0.81 H new ATOM 0 HG21 VAL A 109 10.851 -4.451 1.432 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.049 -2.974 0.847 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.379 -4.571 0.439 1.00 0.86 H new ATOM 1671 N ASN A 110 11.333 -4.491 -3.764 1.00 0.50 N ATOM 1672 CA ASN A 110 12.139 -4.532 -5.015 1.00 0.52 C ATOM 1673 C ASN A 110 11.487 -3.645 -6.073 1.00 0.50 C ATOM 1674 O ASN A 110 12.134 -2.838 -6.710 1.00 0.59 O ATOM 1675 CB ASN A 110 12.113 -5.999 -5.442 1.00 0.59 C ATOM 1676 CG ASN A 110 13.397 -6.344 -6.197 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.966 -5.508 -6.869 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.878 -7.554 -6.110 1.00 1.29 N ATOM 0 H ASN A 110 10.891 -5.373 -3.505 1.00 0.50 H new ATOM 0 HA ASN A 110 13.158 -4.169 -4.879 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.012 -6.640 -4.566 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.246 -6.187 -6.076 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.734 -7.799 -6.607 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.398 -8.254 -5.545 1.00 1.29 H new ATOM 1685 N TRP A 111 10.205 -3.784 -6.255 1.00 0.46 N ATOM 1686 CA TRP A 111 9.499 -2.942 -7.261 1.00 0.51 C ATOM 1687 C TRP A 111 9.652 -1.466 -6.891 1.00 0.55 C ATOM 1688 O TRP A 111 9.727 -0.603 -7.744 1.00 0.66 O ATOM 1689 CB TRP A 111 8.035 -3.372 -7.179 1.00 0.55 C ATOM 1690 CG TRP A 111 7.361 -3.111 -8.487 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.456 -3.900 -9.581 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.491 -2.002 -8.857 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.702 -3.345 -10.599 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.088 -2.175 -10.201 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.017 -0.874 -8.162 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.244 -1.261 -10.836 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.169 0.048 -8.797 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.783 -0.145 -10.131 1.00 1.14 C ATOM 0 H TRP A 111 9.614 -4.445 -5.751 1.00 0.46 H new ATOM 0 HA TRP A 111 9.897 -3.065 -8.268 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.970 -4.431 -6.930 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.529 -2.826 -6.383 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.027 -4.814 -9.649 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.611 -3.751 -11.530 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.307 -0.716 -7.134 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 4.950 -1.415 -11.864 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 4.812 0.911 -8.254 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.130 0.568 -10.613 1.00 1.14 H new ATOM 1709 N LEU A 112 9.709 -1.174 -5.621 1.00 0.55 N ATOM 1710 CA LEU A 112 9.869 0.242 -5.183 1.00 0.65 C ATOM 1711 C LEU A 112 11.318 0.691 -5.387 1.00 0.65 C ATOM 1712 O LEU A 112 11.583 1.715 -5.984 1.00 0.75 O ATOM 1713 CB LEU A 112 9.521 0.236 -3.693 1.00 0.74 C ATOM 1714 CG LEU A 112 8.007 0.118 -3.517 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.699 -0.383 -2.105 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.361 1.489 -3.726 1.00 1.10 C ATOM 0 H LEU A 112 9.652 -1.857 -4.865 1.00 0.55 H new ATOM 0 HA LEU A 112 9.236 0.925 -5.749 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.020 -0.596 -3.197 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.881 1.151 -3.222 1.00 0.74 H new ATOM 0 HG LEU A 112 7.608 -0.585 -4.248 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.620 -0.468 -1.976 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.160 -1.359 -1.957 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.097 0.321 -1.374 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.281 1.405 -3.601 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.758 2.193 -2.995 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.583 1.846 -4.732 1.00 1.10 H new ATOM 1728 N LYS A 113 12.255 -0.070 -4.891 1.00 0.62 N ATOM 1729 CA LYS A 113 13.688 0.309 -5.048 1.00 0.70 C ATOM 1730 C LYS A 113 14.143 0.118 -6.500 1.00 0.75 C ATOM 1731 O LYS A 113 15.206 0.563 -6.886 1.00 1.01 O ATOM 1732 CB LYS A 113 14.440 -0.637 -4.114 1.00 0.79 C ATOM 1733 CG LYS A 113 13.931 -0.444 -2.683 1.00 1.42 C ATOM 1734 CD LYS A 113 14.674 0.720 -2.028 1.00 1.84 C ATOM 1735 CE LYS A 113 16.113 0.303 -1.712 1.00 2.39 C ATOM 1736 NZ LYS A 113 15.989 -0.822 -0.741 1.00 2.86 N ATOM 0 H LYS A 113 12.090 -0.939 -4.383 1.00 0.62 H new ATOM 0 HA LYS A 113 13.869 1.356 -4.807 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.293 -1.670 -4.428 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.511 -0.439 -4.161 1.00 0.79 H new ATOM 0 HG2 LYS A 113 12.859 -0.246 -2.691 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.083 -1.356 -2.106 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.673 1.584 -2.692 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.163 1.021 -1.113 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.639 -0.011 -2.614 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.678 1.131 -1.285 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.689 -0.704 0.019 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.032 -0.824 -0.333 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.159 -1.724 -1.231 1.00 2.86 H new ATOM 1750 N LYS A 114 13.350 -0.535 -7.314 1.00 0.71 N ATOM 1751 CA LYS A 114 13.747 -0.740 -8.740 1.00 0.89 C ATOM 1752 C LYS A 114 14.165 0.596 -9.363 1.00 1.07 C ATOM 1753 O LYS A 114 14.984 0.650 -10.260 1.00 1.31 O ATOM 1754 CB LYS A 114 12.492 -1.281 -9.424 1.00 0.92 C ATOM 1755 CG LYS A 114 12.889 -2.103 -10.652 1.00 1.45 C ATOM 1756 CD LYS A 114 11.639 -2.429 -11.471 1.00 1.77 C ATOM 1757 CE LYS A 114 12.052 -2.974 -12.839 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.246 -2.197 -13.821 1.00 3.00 N ATOM 0 H LYS A 114 12.448 -0.933 -7.053 1.00 0.71 H new ATOM 0 HA LYS A 114 14.592 -1.420 -8.844 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.925 -1.899 -8.728 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.843 -0.457 -9.720 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.601 -1.546 -11.261 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.385 -3.023 -10.343 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.028 -3.163 -10.945 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.028 -1.535 -11.594 1.00 1.77 H new ATOM 0 HE2 LYS A 114 13.120 -2.841 -13.011 1.00 2.49 H new ATOM 0 HE3 LYS A 114 11.847 -4.042 -12.917 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.474 -2.514 -14.785 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 10.234 -2.349 -13.637 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 11.467 -1.185 -13.728 1.00 3.00 H new ATOM 1772 N ARG A 115 13.610 1.673 -8.881 1.00 1.09 N ATOM 1773 CA ARG A 115 13.968 3.012 -9.424 1.00 1.40 C ATOM 1774 C ARG A 115 13.766 4.075 -8.342 1.00 1.25 C ATOM 1775 O ARG A 115 13.524 5.231 -8.628 1.00 1.55 O ATOM 1776 CB ARG A 115 13.009 3.239 -10.595 1.00 1.86 C ATOM 1777 CG ARG A 115 11.565 3.138 -10.103 1.00 2.43 C ATOM 1778 CD ARG A 115 10.674 4.047 -10.952 1.00 2.92 C ATOM 1779 NE ARG A 115 9.969 3.129 -11.890 1.00 3.45 N ATOM 1780 CZ ARG A 115 8.811 3.467 -12.384 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.618 4.679 -12.826 1.00 4.52 N ATOM 1782 NH2 ARG A 115 7.844 2.592 -12.437 1.00 4.34 N ATOM 0 H ARG A 115 12.920 1.683 -8.130 1.00 1.09 H new ATOM 0 HA ARG A 115 15.008 3.071 -9.743 1.00 1.40 H new ATOM 0 HB2 ARG A 115 13.185 4.219 -11.038 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.190 2.500 -11.375 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.218 2.107 -10.168 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.505 3.429 -9.054 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.966 4.597 -10.332 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.265 4.786 -11.493 1.00 2.92 H new ATOM 0 HE ARG A 115 10.392 2.237 -12.145 1.00 3.45 H new ATOM 0 HH11 ARG A 115 9.374 5.363 -12.785 1.00 4.52 H new ATOM 0 HH12 ARG A 115 7.712 4.943 -13.212 1.00 4.52 H new ATOM 0 HH21 ARG A 115 7.995 1.644 -12.092 1.00 4.34 H new ATOM 0 HH22 ARG A 115 6.938 2.856 -12.823 1.00 4.34 H new