USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot 180:sc= 0.279 USER MOD Set 1.2: A 96 TYR OH : rot 54:sc= 0.297 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0.978 USER MOD Set 2.2: A 68 THR OG1 : rot -75:sc= 1.23 USER MOD Set 3.1: A 47 CYS SG : rot -37:sc= 0.183 USER MOD Set 3.2: A 51 THR OG1 : rot -43:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 9 SER OG : rot 180:sc= -0.395 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 23 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 MET CE :methyl -109:sc= -1.08 (180deg=-2.7) USER MOD Single : A 33 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.0053) USER MOD Single : A 42 TYR OH : rot 178:sc= -2.47! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.15 K(o=-2.1,f=-5.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0.725 (180deg=0.725) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -30:sc= 0.119 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -174:sc=-0.00207 (180deg=-0.083) USER MOD Single : A 86 ASN : amide:sc= -2.49! K(o=-2.5!,f=-1.9) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 141:sc= -4.79! (180deg=-5.23!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.523 -2.758 -0.757 1.00 0.00 N ATOM 60 CA GLY A 7 -20.397 -1.895 0.015 1.00 0.00 C ATOM 61 C GLY A 7 -19.758 -0.559 0.335 1.00 0.00 C ATOM 62 O GLY A 7 -20.288 0.494 -0.024 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.321 -1.729 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.669 -2.396 0.944 1.00 0.00 H new ATOM 66 N THR A 8 -18.616 -0.598 1.014 1.00 0.00 N ATOM 67 CA THR A 8 -17.905 0.619 1.385 1.00 0.00 C ATOM 68 C THR A 8 -17.022 1.110 0.244 1.00 0.00 C ATOM 69 O THR A 8 -16.789 0.390 -0.727 1.00 0.00 O ATOM 70 CB THR A 8 -17.034 0.402 2.637 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.576 -0.954 2.685 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.814 0.724 3.902 1.00 0.00 C ATOM 0 H THR A 8 -18.163 -1.460 1.318 1.00 0.00 H new ATOM 0 HA THR A 8 -18.662 1.372 1.604 1.00 0.00 H new ATOM 0 HB THR A 8 -16.177 1.073 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.022 -1.084 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.178 0.563 4.772 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.137 1.765 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.687 0.075 3.966 1.00 0.00 H new ATOM 80 N SER A 9 -16.532 2.339 0.367 1.00 0.00 N ATOM 81 CA SER A 9 -15.675 2.927 -0.657 1.00 0.00 C ATOM 82 C SER A 9 -14.217 2.538 -0.434 1.00 0.00 C ATOM 83 O SER A 9 -13.770 2.324 0.693 1.00 0.00 O ATOM 84 CB SER A 9 -15.814 4.450 -0.655 1.00 0.00 C ATOM 85 OG SER A 9 -14.633 5.071 -1.130 1.00 0.00 O ATOM 0 H SER A 9 -16.713 2.947 1.165 1.00 0.00 H new ATOM 0 HA SER A 9 -15.992 2.542 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.658 4.742 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.030 4.797 0.355 1.00 0.00 H new ATOM 0 HG SER A 9 -14.748 6.044 -1.120 1.00 0.00 H new ATOM 91 N PRO A 10 -13.456 2.444 -1.535 1.00 0.00 N ATOM 92 CA PRO A 10 -12.037 2.081 -1.487 1.00 0.00 C ATOM 93 C PRO A 10 -11.178 3.178 -0.868 1.00 0.00 C ATOM 94 O PRO A 10 -11.629 4.302 -0.646 1.00 0.00 O ATOM 95 CB PRO A 10 -11.672 1.883 -2.960 1.00 0.00 C ATOM 96 CG PRO A 10 -12.649 2.721 -3.709 1.00 0.00 C ATOM 97 CD PRO A 10 -13.923 2.685 -2.910 1.00 0.00 C ATOM 0 HA PRO A 10 -11.862 1.201 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.647 2.196 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.747 0.835 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.285 3.743 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.808 2.331 -4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.474 3.622 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.590 1.894 -3.252 1.00 0.00 H new ATOM 105 N PRO A 11 -9.910 2.848 -0.583 1.00 0.00 N ATOM 106 CA PRO A 11 -8.961 3.794 0.013 1.00 0.00 C ATOM 107 C PRO A 11 -8.558 4.900 -0.956 1.00 0.00 C ATOM 108 O PRO A 11 -8.180 4.633 -2.097 1.00 0.00 O ATOM 109 CB PRO A 11 -7.754 2.916 0.354 1.00 0.00 C ATOM 110 CG PRO A 11 -7.837 1.771 -0.594 1.00 0.00 C ATOM 111 CD PRO A 11 -9.304 1.527 -0.821 1.00 0.00 C ATOM 0 HA PRO A 11 -9.387 4.312 0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.819 3.464 0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.792 2.576 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.330 2.002 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.354 0.886 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.500 1.171 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.697 0.775 -0.137 1.00 0.00 H new ATOM 119 N THR A 12 -8.641 6.144 -0.494 1.00 0.00 N ATOM 120 CA THR A 12 -8.286 7.291 -1.321 1.00 0.00 C ATOM 121 C THR A 12 -7.120 8.064 -0.716 1.00 0.00 C ATOM 122 O THR A 12 -6.638 7.734 0.369 1.00 0.00 O ATOM 123 CB THR A 12 -9.482 8.245 -1.501 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.860 8.801 -0.236 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.668 7.516 -2.114 1.00 0.00 C ATOM 0 H THR A 12 -8.951 6.383 0.448 1.00 0.00 H new ATOM 0 HA THR A 12 -7.993 6.900 -2.295 1.00 0.00 H new ATOM 0 HB THR A 12 -9.180 9.047 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.620 9.408 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.500 8.210 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.386 7.119 -3.089 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.968 6.696 -1.461 1.00 0.00 H new ATOM 133 N LEU A 13 -6.671 9.096 -1.422 1.00 0.00 N ATOM 134 CA LEU A 13 -5.560 9.918 -0.954 1.00 0.00 C ATOM 135 C LEU A 13 -4.305 9.074 -0.752 1.00 0.00 C ATOM 136 O LEU A 13 -3.627 9.186 0.270 1.00 0.00 O ATOM 137 CB LEU A 13 -5.934 10.617 0.354 1.00 0.00 C ATOM 138 CG LEU A 13 -6.599 11.988 0.216 1.00 0.00 C ATOM 139 CD1 LEU A 13 -6.864 12.592 1.586 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.733 12.918 -0.621 1.00 0.00 C ATOM 0 H LEU A 13 -7.059 9.384 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.351 10.670 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.605 9.964 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.030 10.732 0.952 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.555 11.859 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.337 13.567 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.524 11.934 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.921 12.708 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.221 13.889 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.763 13.042 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.594 12.490 -1.614 1.00 0.00 H new ATOM 152 N LEU A 14 -4.001 8.233 -1.734 1.00 0.00 N ATOM 153 CA LEU A 14 -2.825 7.372 -1.666 1.00 0.00 C ATOM 154 C LEU A 14 -1.569 8.131 -2.081 1.00 0.00 C ATOM 155 O LEU A 14 -1.508 8.707 -3.168 1.00 0.00 O ATOM 156 CB LEU A 14 -3.014 6.147 -2.562 1.00 0.00 C ATOM 157 CG LEU A 14 -2.005 5.013 -2.371 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.774 5.243 -3.233 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.617 4.887 -0.905 1.00 0.00 C ATOM 0 H LEU A 14 -4.552 8.129 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.704 7.045 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.014 5.749 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.972 6.472 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.472 4.079 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.068 4.426 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.067 5.282 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.304 6.185 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.899 4.076 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.169 5.821 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.505 4.674 -0.310 1.00 0.00 H new ATOM 171 N THR A 15 -0.566 8.127 -1.208 1.00 0.00 N ATOM 172 CA THR A 15 0.689 8.814 -1.483 1.00 0.00 C ATOM 173 C THR A 15 1.839 8.194 -0.698 1.00 0.00 C ATOM 174 O THR A 15 1.633 7.604 0.363 1.00 0.00 O ATOM 175 CB THR A 15 0.597 10.312 -1.139 1.00 0.00 C ATOM 176 OG1 THR A 15 1.530 11.056 -1.932 1.00 0.00 O ATOM 177 CG2 THR A 15 0.878 10.547 0.337 1.00 0.00 C ATOM 0 H THR A 15 -0.599 7.655 -0.304 1.00 0.00 H new ATOM 0 HA THR A 15 0.881 8.705 -2.550 1.00 0.00 H new ATOM 0 HB THR A 15 -0.416 10.650 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.464 12.008 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.807 11.612 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.148 10.004 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.881 10.193 0.577 1.00 0.00 H new ATOM 185 N VAL A 16 3.052 8.331 -1.226 1.00 0.00 N ATOM 186 CA VAL A 16 4.236 7.785 -0.572 1.00 0.00 C ATOM 187 C VAL A 16 4.661 8.652 0.607 1.00 0.00 C ATOM 188 O VAL A 16 4.967 9.834 0.444 1.00 0.00 O ATOM 189 CB VAL A 16 5.414 7.663 -1.557 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.527 6.818 -0.956 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.943 7.077 -2.880 1.00 0.00 C ATOM 0 H VAL A 16 3.240 8.815 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 16 3.969 6.792 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 16 5.811 8.660 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.351 6.743 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.882 7.284 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.147 5.821 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.788 6.998 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.520 6.087 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.183 7.726 -3.315 1.00 0.00 H new ATOM 201 N ASP A 17 4.680 8.058 1.795 1.00 0.00 N ATOM 202 CA ASP A 17 5.070 8.775 3.003 1.00 0.00 C ATOM 203 C ASP A 17 6.586 8.929 3.078 1.00 0.00 C ATOM 204 O ASP A 17 7.110 10.041 3.021 1.00 0.00 O ATOM 205 CB ASP A 17 4.557 8.044 4.244 1.00 0.00 C ATOM 206 CG ASP A 17 4.672 8.884 5.501 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.779 8.943 6.076 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.656 9.484 5.909 1.00 0.00 O ATOM 0 H ASP A 17 4.430 7.081 1.947 1.00 0.00 H new ATOM 0 HA ASP A 17 4.623 9.769 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.515 7.764 4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.119 7.120 4.376 1.00 0.00 H new ATOM 213 N SER A 18 7.284 7.805 3.209 1.00 0.00 N ATOM 214 CA SER A 18 8.739 7.815 3.297 1.00 0.00 C ATOM 215 C SER A 18 9.343 6.711 2.435 1.00 0.00 C ATOM 216 O SER A 18 8.714 5.681 2.195 1.00 0.00 O ATOM 217 CB SER A 18 9.184 7.644 4.751 1.00 0.00 C ATOM 218 OG SER A 18 9.096 8.869 5.458 1.00 0.00 O ATOM 0 H SER A 18 6.865 6.876 3.256 1.00 0.00 H new ATOM 0 HA SER A 18 9.094 8.776 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.562 6.893 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.210 7.276 4.780 1.00 0.00 H new ATOM 0 HG SER A 18 9.384 8.733 6.385 1.00 0.00 H new ATOM 224 N VAL A 19 10.569 6.934 1.972 1.00 0.00 N ATOM 225 CA VAL A 19 11.261 5.958 1.138 1.00 0.00 C ATOM 226 C VAL A 19 12.740 5.880 1.496 1.00 0.00 C ATOM 227 O VAL A 19 13.440 6.893 1.520 1.00 0.00 O ATOM 228 CB VAL A 19 11.123 6.301 -0.357 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.096 5.477 -1.186 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.692 6.080 -0.825 1.00 0.00 C ATOM 0 H VAL A 19 11.104 7.782 2.160 1.00 0.00 H new ATOM 0 HA VAL A 19 10.794 4.991 1.326 1.00 0.00 H new ATOM 0 HB VAL A 19 11.367 7.354 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.984 5.733 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.116 5.690 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.886 4.417 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.613 6.327 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.417 5.036 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.019 6.718 -0.252 1.00 0.00 H new ATOM 240 N THR A 20 13.213 4.668 1.774 1.00 0.00 N ATOM 241 CA THR A 20 14.610 4.456 2.131 1.00 0.00 C ATOM 242 C THR A 20 15.198 3.274 1.371 1.00 0.00 C ATOM 243 O THR A 20 14.531 2.259 1.169 1.00 0.00 O ATOM 244 CB THR A 20 14.772 4.211 3.644 1.00 0.00 C ATOM 245 OG1 THR A 20 13.887 5.067 4.376 1.00 0.00 O ATOM 246 CG2 THR A 20 16.206 4.462 4.082 1.00 0.00 C ATOM 0 H THR A 20 12.648 3.819 1.759 1.00 0.00 H new ATOM 0 HA THR A 20 15.148 5.364 1.858 1.00 0.00 H new ATOM 0 HB THR A 20 14.523 3.170 3.850 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.994 4.904 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.296 4.283 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.874 3.789 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.478 5.495 3.863 1.00 0.00 H new ATOM 254 N ASP A 21 16.452 3.410 0.952 1.00 0.00 N ATOM 255 CA ASP A 21 17.131 2.352 0.215 1.00 0.00 C ATOM 256 C ASP A 21 16.898 0.995 0.873 1.00 0.00 C ATOM 257 O ASP A 21 17.010 -0.048 0.228 1.00 0.00 O ATOM 258 CB ASP A 21 18.631 2.641 0.131 1.00 0.00 C ATOM 259 CG ASP A 21 19.363 2.275 1.407 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.981 2.789 2.479 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.319 1.474 1.334 1.00 0.00 O ATOM 0 H ASP A 21 17.018 4.243 1.111 1.00 0.00 H new ATOM 0 HA ASP A 21 16.717 2.323 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.059 2.084 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.783 3.699 -0.081 1.00 0.00 H new ATOM 266 N THR A 22 16.575 1.016 2.162 1.00 0.00 N ATOM 267 CA THR A 22 16.328 -0.211 2.909 1.00 0.00 C ATOM 268 C THR A 22 14.879 -0.660 2.765 1.00 0.00 C ATOM 269 O THR A 22 14.604 -1.781 2.334 1.00 0.00 O ATOM 270 CB THR A 22 16.653 -0.034 4.404 1.00 0.00 C ATOM 271 OG1 THR A 22 15.838 1.003 4.963 1.00 0.00 O ATOM 272 CG2 THR A 22 18.122 0.306 4.602 1.00 0.00 C ATOM 0 H THR A 22 16.478 1.870 2.711 1.00 0.00 H new ATOM 0 HA THR A 22 16.985 -0.973 2.490 1.00 0.00 H new ATOM 0 HB THR A 22 16.443 -0.975 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.049 1.108 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.327 0.426 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.739 -0.499 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.354 1.235 4.080 1.00 0.00 H new ATOM 280 N THR A 23 13.952 0.221 3.127 1.00 0.00 N ATOM 281 CA THR A 23 12.530 -0.085 3.039 1.00 0.00 C ATOM 282 C THR A 23 11.726 1.146 2.635 1.00 0.00 C ATOM 283 O THR A 23 12.249 2.260 2.608 1.00 0.00 O ATOM 284 CB THR A 23 11.986 -0.623 4.376 1.00 0.00 C ATOM 285 OG1 THR A 23 11.663 0.467 5.247 1.00 0.00 O ATOM 286 CG2 THR A 23 13.005 -1.531 5.048 1.00 0.00 C ATOM 0 H THR A 23 14.161 1.153 3.484 1.00 0.00 H new ATOM 0 HA THR A 23 12.420 -0.855 2.275 1.00 0.00 H new ATOM 0 HB THR A 23 11.086 -1.203 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.469 0.123 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.599 -1.899 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.227 -2.375 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.920 -0.971 5.241 1.00 0.00 H new ATOM 294 N VAL A 24 10.451 0.939 2.322 1.00 0.00 N ATOM 295 CA VAL A 24 9.574 2.032 1.921 1.00 0.00 C ATOM 296 C VAL A 24 8.334 2.094 2.805 1.00 0.00 C ATOM 297 O VAL A 24 7.977 1.117 3.464 1.00 0.00 O ATOM 298 CB VAL A 24 9.137 1.892 0.451 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.350 1.861 -0.466 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.287 0.644 0.266 1.00 0.00 C ATOM 0 H VAL A 24 10.002 0.023 2.339 1.00 0.00 H new ATOM 0 HA VAL A 24 10.145 2.953 2.036 1.00 0.00 H new ATOM 0 HB VAL A 24 8.533 2.759 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.022 1.762 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.916 2.786 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.983 1.013 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.986 0.560 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.865 -0.235 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.399 0.712 0.895 1.00 0.00 H new ATOM 310 N THR A 25 7.677 3.250 2.815 1.00 0.00 N ATOM 311 CA THR A 25 6.476 3.441 3.618 1.00 0.00 C ATOM 312 C THR A 25 5.396 4.169 2.827 1.00 0.00 C ATOM 313 O THR A 25 5.661 5.186 2.187 1.00 0.00 O ATOM 314 CB THR A 25 6.780 4.236 4.903 1.00 0.00 C ATOM 315 OG1 THR A 25 7.794 3.570 5.663 1.00 0.00 O ATOM 316 CG2 THR A 25 5.526 4.394 5.750 1.00 0.00 C ATOM 0 H THR A 25 7.957 4.069 2.275 1.00 0.00 H new ATOM 0 HA THR A 25 6.116 2.449 3.890 1.00 0.00 H new ATOM 0 HB THR A 25 7.134 5.226 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.982 4.082 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.765 4.958 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.766 4.927 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.148 3.410 6.027 1.00 0.00 H new ATOM 324 N MET A 26 4.177 3.641 2.876 1.00 0.00 N ATOM 325 CA MET A 26 3.055 4.243 2.165 1.00 0.00 C ATOM 326 C MET A 26 1.956 4.660 3.136 1.00 0.00 C ATOM 327 O MET A 26 1.782 4.049 4.191 1.00 0.00 O ATOM 328 CB MET A 26 2.494 3.264 1.131 1.00 0.00 C ATOM 329 CG MET A 26 3.503 2.858 0.069 1.00 0.00 C ATOM 330 SD MET A 26 3.845 4.181 -1.106 1.00 0.00 S ATOM 331 CE MET A 26 2.321 4.199 -2.048 1.00 0.00 C ATOM 0 H MET A 26 3.941 2.798 3.400 1.00 0.00 H new ATOM 0 HA MET A 26 3.419 5.133 1.652 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.139 2.370 1.644 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.630 3.717 0.645 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.433 2.558 0.553 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.128 1.987 -0.469 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.506 3.805 -3.047 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.576 3.581 -1.546 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.952 5.222 -2.124 1.00 0.00 H new ATOM 341 N ARG A 27 1.216 5.703 2.774 1.00 0.00 N ATOM 342 CA ARG A 27 0.135 6.202 3.615 1.00 0.00 C ATOM 343 C ARG A 27 -1.163 6.317 2.821 1.00 0.00 C ATOM 344 O ARG A 27 -1.146 6.389 1.592 1.00 0.00 O ATOM 345 CB ARG A 27 0.506 7.564 4.206 1.00 0.00 C ATOM 346 CG ARG A 27 0.370 8.713 3.219 1.00 0.00 C ATOM 347 CD ARG A 27 1.012 9.984 3.753 1.00 0.00 C ATOM 348 NE ARG A 27 0.371 11.184 3.223 1.00 0.00 N ATOM 349 CZ ARG A 27 0.637 12.412 3.657 1.00 0.00 C ATOM 350 NH1 ARG A 27 1.527 12.599 4.621 1.00 0.00 N ATOM 351 NH2 ARG A 27 0.013 13.454 3.125 1.00 0.00 N ATOM 0 H ARG A 27 1.346 6.219 1.904 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.017 5.491 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.129 7.761 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.534 7.526 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.836 8.438 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.685 8.895 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.952 9.991 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.070 9.993 3.492 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.318 11.074 2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.010 11.800 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.729 13.542 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.672 13.314 2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.218 14.396 3.459 1.00 0.00 H new ATOM 365 N TRP A 28 -2.285 6.332 3.531 1.00 0.00 N ATOM 366 CA TRP A 28 -3.592 6.437 2.892 1.00 0.00 C ATOM 367 C TRP A 28 -4.655 6.871 3.895 1.00 0.00 C ATOM 368 O TRP A 28 -4.407 6.906 5.101 1.00 0.00 O ATOM 369 CB TRP A 28 -3.984 5.099 2.263 1.00 0.00 C ATOM 370 CG TRP A 28 -4.161 3.999 3.266 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.217 3.827 4.115 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.254 2.922 3.526 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.021 2.707 4.887 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.825 2.134 4.544 1.00 0.00 C ATOM 375 CE3 TRP A 28 -2.017 2.546 2.996 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.199 0.994 5.041 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.397 1.414 3.491 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.989 0.649 4.505 1.00 0.00 C ATOM 0 H TRP A 28 -2.316 6.273 4.549 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.526 7.193 2.110 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.912 5.226 1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.219 4.806 1.544 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.079 4.475 4.171 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.662 2.359 5.600 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.554 3.129 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.653 0.403 5.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.440 1.114 3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.480 -0.230 4.870 1.00 0.00 H new ATOM 389 N ARG A 29 -5.840 7.201 3.390 1.00 0.00 N ATOM 390 CA ARG A 29 -6.940 7.634 4.243 1.00 0.00 C ATOM 391 C ARG A 29 -8.154 6.726 4.068 1.00 0.00 C ATOM 392 O ARG A 29 -8.377 6.145 3.005 1.00 0.00 O ATOM 393 CB ARG A 29 -7.321 9.081 3.925 1.00 0.00 C ATOM 394 CG ARG A 29 -6.455 10.109 4.633 1.00 0.00 C ATOM 395 CD ARG A 29 -4.983 9.922 4.301 1.00 0.00 C ATOM 396 NE ARG A 29 -4.248 11.183 4.343 1.00 0.00 N ATOM 397 CZ ARG A 29 -3.897 11.792 5.470 1.00 0.00 C ATOM 398 NH1 ARG A 29 -4.213 11.258 6.642 1.00 0.00 N ATOM 399 NH2 ARG A 29 -3.229 12.938 5.426 1.00 0.00 N ATOM 0 H ARG A 29 -6.062 7.177 2.395 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.609 7.572 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.250 9.238 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.363 9.243 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.770 11.112 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.599 10.028 5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.539 9.220 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.888 9.480 3.309 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.990 11.620 3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.727 10.378 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.942 11.728 7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.985 13.352 4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.960 13.405 6.292 1.00 0.00 H new ATOM 413 N PRO A 30 -8.958 6.600 5.134 1.00 0.00 N ATOM 414 CA PRO A 30 -10.162 5.764 5.123 1.00 0.00 C ATOM 415 C PRO A 30 -11.262 6.345 4.240 1.00 0.00 C ATOM 416 O PRO A 30 -11.184 7.483 3.778 1.00 0.00 O ATOM 417 CB PRO A 30 -10.602 5.756 6.589 1.00 0.00 C ATOM 418 CG PRO A 30 -10.047 7.016 7.158 1.00 0.00 C ATOM 419 CD PRO A 30 -8.753 7.263 6.433 1.00 0.00 C ATOM 0 HA PRO A 30 -9.966 4.771 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.688 5.727 6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.217 4.881 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.739 7.846 7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.881 6.920 8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.556 8.328 6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.904 6.840 6.970 1.00 0.00 H new ATOM 427 N PRO A 31 -12.311 5.545 3.998 1.00 0.00 N ATOM 428 CA PRO A 31 -13.448 5.959 3.170 1.00 0.00 C ATOM 429 C PRO A 31 -14.295 7.033 3.844 1.00 0.00 C ATOM 430 O PRO A 31 -14.428 7.056 5.067 1.00 0.00 O ATOM 431 CB PRO A 31 -14.254 4.669 3.003 1.00 0.00 C ATOM 432 CG PRO A 31 -13.901 3.845 4.193 1.00 0.00 C ATOM 433 CD PRO A 31 -12.470 4.176 4.516 1.00 0.00 C ATOM 0 HA PRO A 31 -13.126 6.401 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.324 4.873 2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.995 4.157 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.554 4.075 5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.017 2.782 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.278 4.127 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.779 3.482 4.037 1.00 0.00 H new ATOM 441 N ASP A 32 -14.867 7.921 3.038 1.00 0.00 N ATOM 442 CA ASP A 32 -15.704 8.996 3.556 1.00 0.00 C ATOM 443 C ASP A 32 -16.932 8.436 4.266 1.00 0.00 C ATOM 444 O ASP A 32 -17.232 8.811 5.400 1.00 0.00 O ATOM 445 CB ASP A 32 -16.136 9.927 2.422 1.00 0.00 C ATOM 446 CG ASP A 32 -14.992 10.274 1.490 1.00 0.00 C ATOM 447 OD1 ASP A 32 -14.008 10.882 1.960 1.00 0.00 O ATOM 448 OD2 ASP A 32 -15.081 9.939 0.290 1.00 0.00 O ATOM 0 H ASP A 32 -14.766 7.917 2.023 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.117 9.563 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.935 9.453 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.547 10.844 2.845 1.00 0.00 H new ATOM 453 N HIS A 33 -17.640 7.536 3.592 1.00 0.00 N ATOM 454 CA HIS A 33 -18.837 6.923 4.158 1.00 0.00 C ATOM 455 C HIS A 33 -18.626 5.430 4.389 1.00 0.00 C ATOM 456 O HIS A 33 -18.050 4.738 3.549 1.00 0.00 O ATOM 457 CB HIS A 33 -20.035 7.144 3.235 1.00 0.00 C ATOM 458 CG HIS A 33 -21.346 7.196 3.956 1.00 0.00 C ATOM 459 ND1 HIS A 33 -22.483 6.563 3.499 1.00 0.00 N ATOM 460 CD2 HIS A 33 -21.698 7.810 5.111 1.00 0.00 C ATOM 461 CE1 HIS A 33 -23.477 6.787 4.340 1.00 0.00 C ATOM 462 NE2 HIS A 33 -23.027 7.540 5.327 1.00 0.00 N ATOM 0 H HIS A 33 -17.406 7.214 2.653 1.00 0.00 H new ATOM 0 HA HIS A 33 -19.037 7.397 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.894 8.076 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.067 6.342 2.497 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.053 8.402 5.744 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -24.486 6.417 4.238 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -23.577 7.868 6.121 1.00 0.00 H new ATOM 471 N ILE A 34 -19.094 4.940 5.532 1.00 0.00 N ATOM 472 CA ILE A 34 -18.957 3.530 5.872 1.00 0.00 C ATOM 473 C ILE A 34 -20.304 2.920 6.245 1.00 0.00 C ATOM 474 O ILE A 34 -20.750 3.028 7.387 1.00 0.00 O ATOM 475 CB ILE A 34 -17.972 3.325 7.038 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.564 3.764 6.629 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.971 1.869 7.481 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.465 2.972 7.302 1.00 0.00 C ATOM 0 H ILE A 34 -19.572 5.500 6.238 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.568 3.029 4.986 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.294 3.940 7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.461 3.667 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.438 4.820 6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.270 1.740 8.306 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.972 1.588 7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.670 1.235 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.495 3.337 6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.542 3.089 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.566 1.918 7.043 1.00 0.00 H new ATOM 517 N GLY A 38 -19.401 -2.510 8.337 1.00 0.00 N ATOM 518 CA GLY A 38 -18.324 -1.757 8.954 1.00 0.00 C ATOM 519 C GLY A 38 -17.037 -1.827 8.156 1.00 0.00 C ATOM 520 O GLY A 38 -17.062 -2.005 6.937 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.627 -0.715 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.146 -2.140 9.959 1.00 0.00 H new ATOM 524 N LEU A 39 -15.909 -1.684 8.843 1.00 0.00 N ATOM 525 CA LEU A 39 -14.605 -1.731 8.190 1.00 0.00 C ATOM 526 C LEU A 39 -13.680 -2.721 8.891 1.00 0.00 C ATOM 527 O LEU A 39 -13.619 -2.766 10.120 1.00 0.00 O ATOM 528 CB LEU A 39 -13.968 -0.340 8.180 1.00 0.00 C ATOM 529 CG LEU A 39 -12.500 -0.277 7.757 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.366 -0.498 6.259 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.886 1.057 8.159 1.00 0.00 C ATOM 0 H LEU A 39 -15.871 -1.535 9.851 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.752 -2.065 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.546 0.297 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.056 0.085 9.180 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.959 -1.072 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.314 -0.450 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.767 -1.477 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.921 0.274 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.841 1.084 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.429 1.868 7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.948 1.175 9.241 1.00 0.00 H new ATOM 543 N ASP A 40 -12.961 -3.511 8.102 1.00 0.00 N ATOM 544 CA ASP A 40 -12.036 -4.498 8.646 1.00 0.00 C ATOM 545 C ASP A 40 -10.619 -4.253 8.139 1.00 0.00 C ATOM 546 O ASP A 40 -10.251 -4.701 7.053 1.00 0.00 O ATOM 547 CB ASP A 40 -12.487 -5.911 8.273 1.00 0.00 C ATOM 548 CG ASP A 40 -13.883 -6.224 8.775 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.300 -5.621 9.787 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.559 -7.072 8.157 1.00 0.00 O ATOM 0 H ASP A 40 -13.001 -3.487 7.083 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.036 -4.399 9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.460 -6.024 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.784 -6.635 8.686 1.00 0.00 H new ATOM 555 N GLY A 41 -9.827 -3.537 8.931 1.00 0.00 N ATOM 556 CA GLY A 41 -8.459 -3.244 8.545 1.00 0.00 C ATOM 557 C GLY A 41 -8.317 -3.005 7.055 1.00 0.00 C ATOM 558 O GLY A 41 -9.242 -2.516 6.406 1.00 0.00 O ATOM 0 H GLY A 41 -10.108 -3.154 9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.113 -2.363 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.816 -4.073 8.840 1.00 0.00 H new ATOM 562 N TYR A 42 -7.154 -3.348 6.511 1.00 0.00 N ATOM 563 CA TYR A 42 -6.892 -3.164 5.088 1.00 0.00 C ATOM 564 C TYR A 42 -5.854 -4.165 4.592 1.00 0.00 C ATOM 565 O TYR A 42 -5.233 -4.877 5.381 1.00 0.00 O ATOM 566 CB TYR A 42 -6.412 -1.737 4.817 1.00 0.00 C ATOM 567 CG TYR A 42 -7.166 -0.685 5.598 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.924 -0.491 6.953 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.123 0.113 4.983 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.612 0.469 7.671 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.814 1.076 5.692 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.555 1.250 7.036 1.00 0.00 C ATOM 573 OH TYR A 42 -9.243 2.206 7.747 1.00 0.00 O ATOM 0 H TYR A 42 -6.378 -3.755 7.034 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.823 -3.336 4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.352 -1.667 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.510 -1.526 3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.186 -1.101 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.330 -0.022 3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.412 0.607 8.723 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.553 1.689 5.197 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.846 2.690 7.145 1.00 0.00 H new ATOM 583 N VAL A 43 -5.670 -4.214 3.276 1.00 0.00 N ATOM 584 CA VAL A 43 -4.706 -5.126 2.672 1.00 0.00 C ATOM 585 C VAL A 43 -3.751 -4.381 1.746 1.00 0.00 C ATOM 586 O VAL A 43 -4.175 -3.576 0.916 1.00 0.00 O ATOM 587 CB VAL A 43 -5.410 -6.241 1.876 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.388 -7.146 1.206 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.331 -7.042 2.784 1.00 0.00 C ATOM 0 H VAL A 43 -6.176 -3.633 2.608 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.140 -5.575 3.488 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.017 -5.780 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.904 -7.928 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.774 -6.559 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.752 -7.602 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.821 -7.826 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.748 -7.494 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.085 -6.381 3.211 1.00 0.00 H new ATOM 599 N LEU A 44 -2.459 -4.656 1.892 1.00 0.00 N ATOM 600 CA LEU A 44 -1.442 -4.012 1.068 1.00 0.00 C ATOM 601 C LEU A 44 -0.519 -5.048 0.435 1.00 0.00 C ATOM 602 O LEU A 44 -0.128 -6.021 1.079 1.00 0.00 O ATOM 603 CB LEU A 44 -0.624 -3.029 1.907 1.00 0.00 C ATOM 604 CG LEU A 44 0.373 -2.160 1.140 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.571 -0.827 1.846 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.701 -2.884 0.982 1.00 0.00 C ATOM 0 H LEU A 44 -2.091 -5.320 2.573 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.947 -3.466 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.314 -2.373 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.077 -3.594 2.662 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.032 -1.966 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.284 -0.221 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.382 -0.302 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.954 -1.001 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.398 -2.250 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.112 -3.109 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.546 -3.813 0.433 1.00 0.00 H new ATOM 618 N GLU A 45 -0.174 -4.831 -0.831 1.00 0.00 N ATOM 619 CA GLU A 45 0.705 -5.746 -1.550 1.00 0.00 C ATOM 620 C GLU A 45 1.562 -4.993 -2.563 1.00 0.00 C ATOM 621 O GLU A 45 1.134 -3.988 -3.130 1.00 0.00 O ATOM 622 CB GLU A 45 -0.116 -6.824 -2.261 1.00 0.00 C ATOM 623 CG GLU A 45 -1.141 -7.499 -1.364 1.00 0.00 C ATOM 624 CD GLU A 45 -2.003 -8.497 -2.112 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.046 -8.428 -3.358 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.637 -9.346 -1.450 1.00 0.00 O ATOM 0 H GLU A 45 -0.489 -4.031 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 45 1.365 -6.222 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.629 -6.376 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.560 -7.580 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.626 -8.008 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.779 -6.740 -0.913 1.00 0.00 H new ATOM 633 N TYR A 46 2.775 -5.488 -2.786 1.00 0.00 N ATOM 634 CA TYR A 46 3.694 -4.861 -3.728 1.00 0.00 C ATOM 635 C TYR A 46 4.230 -5.882 -4.727 1.00 0.00 C ATOM 636 O TYR A 46 4.669 -6.968 -4.347 1.00 0.00 O ATOM 637 CB TYR A 46 4.856 -4.204 -2.980 1.00 0.00 C ATOM 638 CG TYR A 46 5.742 -5.190 -2.254 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.348 -5.748 -1.044 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.973 -5.564 -2.778 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.156 -6.649 -0.376 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.787 -6.465 -2.118 1.00 0.00 C ATOM 643 CZ TYR A 46 7.374 -7.004 -0.917 1.00 0.00 C ATOM 644 OH TYR A 46 8.180 -7.902 -0.256 1.00 0.00 O ATOM 0 H TYR A 46 3.144 -6.321 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 46 3.145 -4.096 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.461 -3.639 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.456 -3.489 -2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.394 -5.473 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.300 -5.143 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.835 -7.073 0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.741 -6.746 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 46 9.001 -8.045 -0.771 1.00 0.00 H new ATOM 654 N CYS A 47 4.191 -5.525 -6.006 1.00 0.00 N ATOM 655 CA CYS A 47 4.673 -6.409 -7.062 1.00 0.00 C ATOM 656 C CYS A 47 6.082 -6.020 -7.496 1.00 0.00 C ATOM 657 O CYS A 47 6.325 -4.885 -7.907 1.00 0.00 O ATOM 658 CB CYS A 47 3.726 -6.367 -8.262 1.00 0.00 C ATOM 659 SG CYS A 47 4.364 -7.200 -9.735 1.00 0.00 S ATOM 0 H CYS A 47 3.831 -4.630 -6.337 1.00 0.00 H new ATOM 0 HA CYS A 47 4.702 -7.424 -6.667 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.778 -6.826 -7.980 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.515 -5.326 -8.509 1.00 0.00 H new ATOM 0 HG CYS A 47 5.645 -6.996 -9.828 1.00 0.00 H new ATOM 665 N PHE A 48 7.008 -6.968 -7.401 1.00 0.00 N ATOM 666 CA PHE A 48 8.394 -6.724 -7.782 1.00 0.00 C ATOM 667 C PHE A 48 8.533 -6.626 -9.299 1.00 0.00 C ATOM 668 O PHE A 48 7.619 -6.987 -10.040 1.00 0.00 O ATOM 669 CB PHE A 48 9.296 -7.838 -7.248 1.00 0.00 C ATOM 670 CG PHE A 48 10.690 -7.379 -6.928 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.966 -6.742 -5.729 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.725 -7.585 -7.826 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.248 -6.318 -5.431 1.00 0.00 C ATOM 674 CE2 PHE A 48 13.009 -7.164 -7.534 1.00 0.00 C ATOM 675 CZ PHE A 48 13.270 -6.529 -6.335 1.00 0.00 C ATOM 0 H PHE A 48 6.824 -7.913 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 48 8.702 -5.775 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.846 -8.260 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.346 -8.639 -7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.170 -6.575 -5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.526 -8.080 -8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.449 -5.823 -4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.807 -7.331 -8.242 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.272 -6.198 -6.105 1.00 0.00 H new ATOM 685 N GLU A 49 9.682 -6.134 -9.752 1.00 0.00 N ATOM 686 CA GLU A 49 9.939 -5.987 -11.180 1.00 0.00 C ATOM 687 C GLU A 49 10.266 -7.336 -11.815 1.00 0.00 C ATOM 688 O GLU A 49 11.136 -8.063 -11.340 1.00 0.00 O ATOM 689 CB GLU A 49 11.091 -5.008 -11.415 1.00 0.00 C ATOM 690 CG GLU A 49 12.387 -5.418 -10.737 1.00 0.00 C ATOM 691 CD GLU A 49 13.569 -4.581 -11.183 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.823 -3.532 -10.554 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.240 -4.973 -12.160 1.00 0.00 O ATOM 0 H GLU A 49 10.449 -5.831 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 49 9.036 -5.594 -11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.265 -4.916 -12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.798 -4.022 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.271 -5.330 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.588 -6.468 -10.951 1.00 0.00 H new ATOM 700 N GLY A 50 9.559 -7.662 -12.893 1.00 0.00 N ATOM 701 CA GLY A 50 9.787 -8.922 -13.576 1.00 0.00 C ATOM 702 C GLY A 50 9.045 -10.075 -12.930 1.00 0.00 C ATOM 703 O GLY A 50 9.346 -11.241 -13.188 1.00 0.00 O ATOM 0 H GLY A 50 8.833 -7.076 -13.305 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.474 -8.830 -14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.855 -9.140 -13.583 1.00 0.00 H new ATOM 707 N THR A 51 8.071 -9.750 -12.085 1.00 0.00 N ATOM 708 CA THR A 51 7.286 -10.767 -11.397 1.00 0.00 C ATOM 709 C THR A 51 5.797 -10.594 -11.675 1.00 0.00 C ATOM 710 O THR A 51 5.245 -9.509 -11.492 1.00 0.00 O ATOM 711 CB THR A 51 7.521 -10.724 -9.875 1.00 0.00 C ATOM 712 OG1 THR A 51 7.062 -9.476 -9.344 1.00 0.00 O ATOM 713 CG2 THR A 51 8.995 -10.908 -9.549 1.00 0.00 C ATOM 0 H THR A 51 7.807 -8.790 -11.861 1.00 0.00 H new ATOM 0 HA THR A 51 7.615 -11.733 -11.781 1.00 0.00 H new ATOM 0 HB THR A 51 6.960 -11.541 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.342 -8.746 -9.935 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.136 -10.874 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.334 -11.872 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.573 -10.110 -10.016 1.00 0.00 H new ATOM 721 N GLU A 52 5.154 -11.669 -12.118 1.00 0.00 N ATOM 722 CA GLU A 52 3.728 -11.634 -12.421 1.00 0.00 C ATOM 723 C GLU A 52 2.907 -12.140 -11.238 1.00 0.00 C ATOM 724 O GLU A 52 1.788 -12.625 -11.408 1.00 0.00 O ATOM 725 CB GLU A 52 3.427 -12.477 -13.662 1.00 0.00 C ATOM 726 CG GLU A 52 3.579 -13.972 -13.435 1.00 0.00 C ATOM 727 CD GLU A 52 3.852 -14.732 -14.717 1.00 0.00 C ATOM 728 OE1 GLU A 52 4.534 -14.177 -15.604 1.00 0.00 O ATOM 729 OE2 GLU A 52 3.384 -15.885 -14.834 1.00 0.00 O ATOM 0 H GLU A 52 5.597 -12.574 -12.275 1.00 0.00 H new ATOM 0 HA GLU A 52 3.450 -10.598 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.409 -12.270 -13.993 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.093 -12.171 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.394 -14.148 -12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.671 -14.360 -12.974 1.00 0.00 H new ATOM 736 N ASP A 53 3.471 -12.023 -10.041 1.00 0.00 N ATOM 737 CA ASP A 53 2.793 -12.468 -8.830 1.00 0.00 C ATOM 738 C ASP A 53 2.926 -11.429 -7.720 1.00 0.00 C ATOM 739 O ASP A 53 4.033 -11.094 -7.300 1.00 0.00 O ATOM 740 CB ASP A 53 3.364 -13.807 -8.362 1.00 0.00 C ATOM 741 CG ASP A 53 2.641 -14.991 -8.974 1.00 0.00 C ATOM 742 OD1 ASP A 53 1.560 -15.354 -8.464 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.155 -15.553 -9.963 1.00 0.00 O ATOM 0 H ASP A 53 4.396 -11.624 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 53 1.735 -12.594 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.422 -13.858 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.298 -13.867 -7.276 1.00 0.00 H new ATOM 748 N TRP A 54 1.790 -10.923 -7.253 1.00 0.00 N ATOM 749 CA TRP A 54 1.780 -9.920 -6.193 1.00 0.00 C ATOM 750 C TRP A 54 2.192 -10.534 -4.860 1.00 0.00 C ATOM 751 O TRP A 54 1.683 -11.584 -4.465 1.00 0.00 O ATOM 752 CB TRP A 54 0.391 -9.291 -6.071 1.00 0.00 C ATOM 753 CG TRP A 54 0.079 -8.323 -7.172 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.527 -8.604 -8.363 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.359 -6.919 -7.183 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.640 -7.459 -9.114 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.105 -6.412 -8.413 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.955 -6.041 -6.274 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.011 -5.067 -8.753 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.069 -4.707 -6.614 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.598 -4.230 -7.845 1.00 0.00 C ATOM 0 H TRP A 54 0.865 -11.190 -7.591 1.00 0.00 H new ATOM 0 HA TRP A 54 2.501 -9.145 -6.453 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.359 -10.082 -6.069 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.316 -8.777 -5.113 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.867 -9.582 -8.669 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.055 -7.399 -10.044 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.320 -6.399 -5.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.350 -4.697 -9.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.529 -4.020 -5.919 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.701 -3.181 -8.081 1.00 0.00 H new ATOM 772 N ILE A 55 3.116 -9.873 -4.170 1.00 0.00 N ATOM 773 CA ILE A 55 3.595 -10.355 -2.880 1.00 0.00 C ATOM 774 C ILE A 55 2.781 -9.761 -1.735 1.00 0.00 C ATOM 775 O ILE A 55 2.577 -8.549 -1.667 1.00 0.00 O ATOM 776 CB ILE A 55 5.082 -10.014 -2.668 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.955 -10.828 -3.624 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.484 -10.272 -1.224 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.400 -10.381 -3.652 1.00 0.00 C ATOM 0 H ILE A 55 3.547 -9.003 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 55 3.476 -11.438 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 55 5.231 -8.956 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.914 -11.878 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.542 -10.757 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.537 -10.026 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.880 -9.652 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.323 -11.323 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.960 -11.002 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.453 -9.340 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.830 -10.478 -2.655 1.00 0.00 H new ATOM 791 N VAL A 56 2.319 -10.623 -0.835 1.00 0.00 N ATOM 792 CA VAL A 56 1.529 -10.184 0.309 1.00 0.00 C ATOM 793 C VAL A 56 2.420 -9.605 1.402 1.00 0.00 C ATOM 794 O VAL A 56 3.283 -10.294 1.944 1.00 0.00 O ATOM 795 CB VAL A 56 0.702 -11.343 0.898 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.049 -10.886 2.140 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.260 -11.893 -0.144 1.00 0.00 C ATOM 0 H VAL A 56 2.478 -11.630 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 56 0.852 -9.410 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 56 1.384 -12.142 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.627 -11.718 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.663 -10.543 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.722 -10.069 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.836 -12.711 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.938 -11.103 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.304 -12.260 -1.002 1.00 0.00 H new ATOM 807 N ALA A 57 2.205 -8.333 1.721 1.00 0.00 N ATOM 808 CA ALA A 57 2.987 -7.660 2.751 1.00 0.00 C ATOM 809 C ALA A 57 2.399 -7.908 4.136 1.00 0.00 C ATOM 810 O ALA A 57 3.118 -8.247 5.074 1.00 0.00 O ATOM 811 CB ALA A 57 3.062 -6.167 2.466 1.00 0.00 C ATOM 0 H ALA A 57 1.495 -7.747 1.281 1.00 0.00 H new ATOM 0 HA ALA A 57 3.996 -8.072 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.649 -5.677 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.535 -6.005 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.056 -5.748 2.453 1.00 0.00 H new ATOM 817 N ASN A 58 1.086 -7.735 4.256 1.00 0.00 N ATOM 818 CA ASN A 58 0.402 -7.938 5.528 1.00 0.00 C ATOM 819 C ASN A 58 -0.071 -9.382 5.666 1.00 0.00 C ATOM 820 O ASN A 58 -0.656 -9.947 4.742 1.00 0.00 O ATOM 821 CB ASN A 58 -0.790 -6.986 5.647 1.00 0.00 C ATOM 822 CG ASN A 58 -1.945 -7.390 4.751 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.743 -7.959 3.678 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.164 -7.096 5.189 1.00 0.00 N ATOM 0 H ASN A 58 0.475 -7.455 3.488 1.00 0.00 H new ATOM 0 HA ASN A 58 1.109 -7.727 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.129 -6.960 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.471 -5.976 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.980 -7.343 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.284 -6.624 6.085 1.00 0.00 H new ATOM 831 N LYS A 59 0.187 -9.975 6.827 1.00 0.00 N ATOM 832 CA LYS A 59 -0.213 -11.352 7.089 1.00 0.00 C ATOM 833 C LYS A 59 -1.726 -11.510 6.978 1.00 0.00 C ATOM 834 O LYS A 59 -2.223 -12.219 6.103 1.00 0.00 O ATOM 835 CB LYS A 59 0.256 -11.785 8.480 1.00 0.00 C ATOM 836 CG LYS A 59 -0.041 -13.241 8.796 1.00 0.00 C ATOM 837 CD LYS A 59 0.940 -14.173 8.105 1.00 0.00 C ATOM 838 CE LYS A 59 2.279 -14.207 8.826 1.00 0.00 C ATOM 839 NZ LYS A 59 2.318 -15.266 9.872 1.00 0.00 N ATOM 0 H LYS A 59 0.672 -9.523 7.602 1.00 0.00 H new ATOM 0 HA LYS A 59 0.256 -11.989 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.330 -11.616 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.223 -11.154 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.005 -13.397 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.056 -13.483 8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.521 -15.179 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.088 -13.848 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.076 -14.381 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.470 -13.237 9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.246 -15.257 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.573 -15.087 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.161 -16.195 9.431 1.00 0.00 H new ATOM 853 N ASP A 60 -2.452 -10.845 7.870 1.00 0.00 N ATOM 854 CA ASP A 60 -3.909 -10.910 7.871 1.00 0.00 C ATOM 855 C ASP A 60 -4.512 -9.573 7.449 1.00 0.00 C ATOM 856 O ASP A 60 -5.011 -9.430 6.332 1.00 0.00 O ATOM 857 CB ASP A 60 -4.423 -11.301 9.257 1.00 0.00 C ATOM 858 CG ASP A 60 -5.935 -11.248 9.350 1.00 0.00 C ATOM 859 OD1 ASP A 60 -6.601 -12.055 8.668 1.00 0.00 O ATOM 860 OD2 ASP A 60 -6.453 -10.400 10.106 1.00 0.00 O ATOM 0 H ASP A 60 -2.056 -10.255 8.601 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.215 -11.670 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.082 -12.308 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.992 -10.633 10.003 1.00 0.00 H new ATOM 865 N LEU A 61 -4.464 -8.598 8.350 1.00 0.00 N ATOM 866 CA LEU A 61 -5.007 -7.273 8.073 1.00 0.00 C ATOM 867 C LEU A 61 -4.124 -6.186 8.677 1.00 0.00 C ATOM 868 O LEU A 61 -3.360 -6.439 9.608 1.00 0.00 O ATOM 869 CB LEU A 61 -6.429 -7.157 8.626 1.00 0.00 C ATOM 870 CG LEU A 61 -7.514 -7.905 7.850 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.729 -8.148 8.732 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.906 -7.131 6.600 1.00 0.00 C ATOM 0 H LEU A 61 -4.055 -8.700 9.279 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.032 -7.136 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.429 -7.521 9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.698 -6.101 8.662 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.114 -8.871 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.491 -8.681 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.438 -8.745 9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.131 -7.193 9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.679 -7.678 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.287 -6.150 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.033 -7.009 5.959 1.00 0.00 H new ATOM 884 N ILE A 62 -4.237 -4.975 8.142 1.00 0.00 N ATOM 885 CA ILE A 62 -3.451 -3.848 8.630 1.00 0.00 C ATOM 886 C ILE A 62 -4.294 -2.930 9.508 1.00 0.00 C ATOM 887 O ILE A 62 -5.281 -2.353 9.052 1.00 0.00 O ATOM 888 CB ILE A 62 -2.859 -3.029 7.468 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.007 -3.924 6.566 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.034 -1.868 8.005 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.792 -3.356 5.180 1.00 0.00 C ATOM 0 H ILE A 62 -4.865 -4.749 7.371 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.636 -4.264 9.222 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.678 -2.623 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.038 -4.085 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.485 -4.900 6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.622 -1.298 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.668 -1.220 8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.220 -2.253 8.619 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.180 -4.043 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.756 -3.221 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.286 -2.394 5.256 1.00 0.00 H new ATOM 903 N ASP A 63 -3.896 -2.797 10.768 1.00 0.00 N ATOM 904 CA ASP A 63 -4.613 -1.946 11.711 1.00 0.00 C ATOM 905 C ASP A 63 -3.952 -0.574 11.815 1.00 0.00 C ATOM 906 O ASP A 63 -3.781 -0.038 12.910 1.00 0.00 O ATOM 907 CB ASP A 63 -4.667 -2.606 13.089 1.00 0.00 C ATOM 908 CG ASP A 63 -3.317 -2.616 13.779 1.00 0.00 C ATOM 909 OD1 ASP A 63 -2.378 -3.238 13.238 1.00 0.00 O ATOM 910 OD2 ASP A 63 -3.199 -2.002 14.860 1.00 0.00 O ATOM 0 H ASP A 63 -3.081 -3.268 11.161 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.630 -1.813 11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.387 -2.078 13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.026 -3.630 12.985 1.00 0.00 H new ATOM 915 N LYS A 64 -3.582 -0.013 10.670 1.00 0.00 N ATOM 916 CA LYS A 64 -2.940 1.296 10.631 1.00 0.00 C ATOM 917 C LYS A 64 -3.124 1.952 9.266 1.00 0.00 C ATOM 918 O LYS A 64 -3.397 1.277 8.273 1.00 0.00 O ATOM 919 CB LYS A 64 -1.449 1.165 10.948 1.00 0.00 C ATOM 920 CG LYS A 64 -1.161 0.886 12.414 1.00 0.00 C ATOM 921 CD LYS A 64 0.240 1.328 12.800 1.00 0.00 C ATOM 922 CE LYS A 64 0.298 2.824 13.072 1.00 0.00 C ATOM 923 NZ LYS A 64 1.638 3.247 13.566 1.00 0.00 N ATOM 0 H LYS A 64 -3.716 -0.444 9.755 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.412 1.927 11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.027 0.362 10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.942 2.084 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.891 1.405 13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.275 -0.180 12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.563 0.783 13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.936 1.075 12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.059 3.369 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.461 3.089 13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.636 4.272 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.855 2.747 14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.359 3.018 12.853 1.00 0.00 H new ATOM 937 N THR A 65 -2.973 3.272 9.224 1.00 0.00 N ATOM 938 CA THR A 65 -3.122 4.019 7.982 1.00 0.00 C ATOM 939 C THR A 65 -1.804 4.088 7.220 1.00 0.00 C ATOM 940 O THR A 65 -1.686 4.805 6.225 1.00 0.00 O ATOM 941 CB THR A 65 -3.625 5.451 8.244 1.00 0.00 C ATOM 942 OG1 THR A 65 -2.957 6.005 9.383 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.129 5.462 8.478 1.00 0.00 C ATOM 0 H THR A 65 -2.747 3.846 10.037 1.00 0.00 H new ATOM 0 HA THR A 65 -3.859 3.487 7.381 1.00 0.00 H new ATOM 0 HB THR A 65 -3.405 6.056 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.281 6.916 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.461 6.484 8.661 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.637 5.067 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.367 4.843 9.343 1.00 0.00 H new ATOM 951 N LYS A 66 -0.813 3.338 7.691 1.00 0.00 N ATOM 952 CA LYS A 66 0.497 3.311 7.053 1.00 0.00 C ATOM 953 C LYS A 66 1.106 1.914 7.118 1.00 0.00 C ATOM 954 O LYS A 66 0.788 1.129 8.012 1.00 0.00 O ATOM 955 CB LYS A 66 1.434 4.319 7.723 1.00 0.00 C ATOM 956 CG LYS A 66 1.391 5.701 7.094 1.00 0.00 C ATOM 957 CD LYS A 66 2.724 6.417 7.228 1.00 0.00 C ATOM 958 CE LYS A 66 2.805 7.207 8.525 1.00 0.00 C ATOM 959 NZ LYS A 66 3.796 8.315 8.439 1.00 0.00 N ATOM 0 H LYS A 66 -0.893 2.740 8.514 1.00 0.00 H new ATOM 0 HA LYS A 66 0.369 3.583 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.172 4.401 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.455 3.940 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.128 5.614 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.609 6.294 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.534 5.689 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.863 7.090 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.823 7.616 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.078 6.538 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.821 8.829 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.738 7.923 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.522 8.968 7.677 1.00 0.00 H new ATOM 973 N PHE A 67 1.984 1.611 6.168 1.00 0.00 N ATOM 974 CA PHE A 67 2.637 0.308 6.118 1.00 0.00 C ATOM 975 C PHE A 67 4.051 0.430 5.556 1.00 0.00 C ATOM 976 O PHE A 67 4.311 1.244 4.669 1.00 0.00 O ATOM 977 CB PHE A 67 1.820 -0.664 5.266 1.00 0.00 C ATOM 978 CG PHE A 67 2.273 -2.091 5.383 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.422 -2.522 4.740 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.550 -3.002 6.136 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.842 -3.835 4.846 1.00 0.00 C ATOM 982 CE2 PHE A 67 1.965 -4.316 6.246 1.00 0.00 C ATOM 983 CZ PHE A 67 3.112 -4.733 5.600 1.00 0.00 C ATOM 0 H PHE A 67 2.260 2.250 5.422 1.00 0.00 H new ATOM 0 HA PHE A 67 2.701 -0.078 7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.772 -0.599 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.879 -0.357 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.996 -1.824 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.652 -2.682 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.740 -4.158 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.393 -5.016 6.837 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.438 -5.759 5.684 1.00 0.00 H new ATOM 993 N THR A 68 4.961 -0.385 6.079 1.00 0.00 N ATOM 994 CA THR A 68 6.349 -0.368 5.632 1.00 0.00 C ATOM 995 C THR A 68 6.794 -1.751 5.169 1.00 0.00 C ATOM 996 O THR A 68 6.788 -2.707 5.945 1.00 0.00 O ATOM 997 CB THR A 68 7.293 0.116 6.748 1.00 0.00 C ATOM 998 OG1 THR A 68 7.111 1.519 6.969 1.00 0.00 O ATOM 999 CG2 THR A 68 8.744 -0.163 6.388 1.00 0.00 C ATOM 0 H THR A 68 4.762 -1.065 6.813 1.00 0.00 H new ATOM 0 HA THR A 68 6.403 0.328 4.794 1.00 0.00 H new ATOM 0 HB THR A 68 7.051 -0.429 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.535 2.022 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.392 0.188 7.191 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.885 -1.235 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.996 0.358 5.465 1.00 0.00 H new ATOM 1007 N ILE A 69 7.179 -1.850 3.902 1.00 0.00 N ATOM 1008 CA ILE A 69 7.630 -3.116 3.337 1.00 0.00 C ATOM 1009 C ILE A 69 9.071 -3.415 3.737 1.00 0.00 C ATOM 1010 O ILE A 69 10.011 -2.840 3.188 1.00 0.00 O ATOM 1011 CB ILE A 69 7.524 -3.117 1.801 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.078 -2.866 1.367 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.031 -4.435 1.236 1.00 0.00 C ATOM 1014 CD1 ILE A 69 5.958 -2.252 -0.010 1.00 0.00 C ATOM 0 H ILE A 69 7.188 -1.069 3.246 1.00 0.00 H new ATOM 0 HA ILE A 69 6.976 -3.891 3.738 1.00 0.00 H new ATOM 0 HB ILE A 69 8.146 -2.313 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.533 -3.810 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.599 -2.208 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.950 -4.420 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.074 -4.575 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.433 -5.255 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.906 -2.102 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.474 -1.292 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.408 -2.918 -0.746 1.00 0.00 H new ATOM 1026 N THR A 70 9.238 -4.320 4.696 1.00 0.00 N ATOM 1027 CA THR A 70 10.564 -4.696 5.169 1.00 0.00 C ATOM 1028 C THR A 70 11.200 -5.735 4.254 1.00 0.00 C ATOM 1029 O THR A 70 10.548 -6.693 3.838 1.00 0.00 O ATOM 1030 CB THR A 70 10.511 -5.256 6.603 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.716 -6.446 6.636 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.932 -4.228 7.564 1.00 0.00 C ATOM 0 H THR A 70 8.471 -4.806 5.160 1.00 0.00 H new ATOM 0 HA THR A 70 11.170 -3.790 5.162 1.00 0.00 H new ATOM 0 HB THR A 70 11.529 -5.491 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.689 -6.796 7.551 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.904 -4.646 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.555 -3.334 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.921 -3.967 7.252 1.00 0.00 H new ATOM 1040 N GLY A 71 12.478 -5.541 3.942 1.00 0.00 N ATOM 1041 CA GLY A 71 13.181 -6.470 3.078 1.00 0.00 C ATOM 1042 C GLY A 71 13.076 -6.093 1.613 1.00 0.00 C ATOM 1043 O GLY A 71 12.542 -6.853 0.805 1.00 0.00 O ATOM 0 H GLY A 71 13.039 -4.756 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.232 -6.506 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.777 -7.472 3.222 1.00 0.00 H new ATOM 1047 N LEU A 72 13.585 -4.915 1.270 1.00 0.00 N ATOM 1048 CA LEU A 72 13.546 -4.436 -0.107 1.00 0.00 C ATOM 1049 C LEU A 72 14.923 -3.962 -0.559 1.00 0.00 C ATOM 1050 O LEU A 72 15.601 -3.199 0.130 1.00 0.00 O ATOM 1051 CB LEU A 72 12.532 -3.299 -0.244 1.00 0.00 C ATOM 1052 CG LEU A 72 11.093 -3.715 -0.553 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.172 -2.505 -0.532 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.020 -4.420 -1.899 1.00 0.00 C ATOM 0 H LEU A 72 14.030 -4.274 1.927 1.00 0.00 H new ATOM 0 HA LEU A 72 13.241 -5.265 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.532 -2.726 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.872 -2.629 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 72 10.762 -4.411 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.152 -2.820 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.202 -2.042 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.500 -1.785 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.989 -4.709 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.370 -3.747 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.649 -5.310 -1.878 1.00 0.00 H new ATOM 1066 N PRO A 73 15.348 -4.422 -1.745 1.00 0.00 N ATOM 1067 CA PRO A 73 16.647 -4.056 -2.317 1.00 0.00 C ATOM 1068 C PRO A 73 16.697 -2.596 -2.755 1.00 0.00 C ATOM 1069 O PRO A 73 15.663 -1.940 -2.886 1.00 0.00 O ATOM 1070 CB PRO A 73 16.775 -4.982 -3.529 1.00 0.00 C ATOM 1071 CG PRO A 73 15.371 -5.309 -3.906 1.00 0.00 C ATOM 1072 CD PRO A 73 14.593 -5.334 -2.620 1.00 0.00 C ATOM 0 HA PRO A 73 17.455 -4.164 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.301 -4.491 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.338 -5.882 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.967 -4.564 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.317 -6.272 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.567 -4.994 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.540 -6.339 -2.202 1.00 0.00 H new ATOM 1080 N THR A 74 17.906 -2.091 -2.980 1.00 0.00 N ATOM 1081 CA THR A 74 18.091 -0.709 -3.402 1.00 0.00 C ATOM 1082 C THR A 74 17.947 -0.572 -4.914 1.00 0.00 C ATOM 1083 O THR A 74 18.003 -1.561 -5.644 1.00 0.00 O ATOM 1084 CB THR A 74 19.471 -0.171 -2.978 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.626 -0.285 -1.559 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.637 1.282 -3.397 1.00 0.00 C ATOM 0 H THR A 74 18.772 -2.620 -2.877 1.00 0.00 H new ATOM 0 HA THR A 74 17.315 -0.122 -2.911 1.00 0.00 H new ATOM 0 HB THR A 74 20.237 -0.766 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.750 -0.209 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.619 1.640 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.547 1.361 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.864 1.888 -2.924 1.00 0.00 H new ATOM 1094 N ASP A 75 17.764 0.660 -5.377 1.00 0.00 N ATOM 1095 CA ASP A 75 17.614 0.926 -6.803 1.00 0.00 C ATOM 1096 C ASP A 75 16.619 -0.042 -7.435 1.00 0.00 C ATOM 1097 O ASP A 75 16.715 -0.359 -8.620 1.00 0.00 O ATOM 1098 CB ASP A 75 18.967 0.820 -7.508 1.00 0.00 C ATOM 1099 CG ASP A 75 19.837 -0.278 -6.929 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.685 -1.442 -7.354 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.670 0.026 -6.049 1.00 0.00 O ATOM 0 H ASP A 75 17.716 1.490 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 75 17.231 1.940 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.807 0.631 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.490 1.773 -7.430 1.00 0.00 H new ATOM 1106 N ALA A 76 15.666 -0.509 -6.636 1.00 0.00 N ATOM 1107 CA ALA A 76 14.653 -1.440 -7.117 1.00 0.00 C ATOM 1108 C ALA A 76 13.338 -0.722 -7.402 1.00 0.00 C ATOM 1109 O ALA A 76 12.979 0.233 -6.714 1.00 0.00 O ATOM 1110 CB ALA A 76 14.439 -2.556 -6.106 1.00 0.00 C ATOM 0 H ALA A 76 15.574 -0.258 -5.652 1.00 0.00 H new ATOM 0 HA ALA A 76 15.009 -1.875 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.680 -3.244 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.374 -3.095 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.109 -2.130 -5.158 1.00 0.00 H new ATOM 1116 N LYS A 77 12.624 -1.189 -8.421 1.00 0.00 N ATOM 1117 CA LYS A 77 11.348 -0.592 -8.797 1.00 0.00 C ATOM 1118 C LYS A 77 10.194 -1.548 -8.509 1.00 0.00 C ATOM 1119 O LYS A 77 10.154 -2.662 -9.032 1.00 0.00 O ATOM 1120 CB LYS A 77 11.354 -0.217 -10.281 1.00 0.00 C ATOM 1121 CG LYS A 77 11.973 1.141 -10.562 1.00 0.00 C ATOM 1122 CD LYS A 77 10.935 2.249 -10.507 1.00 0.00 C ATOM 1123 CE LYS A 77 11.471 3.545 -11.096 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.427 3.538 -12.584 1.00 0.00 N ATOM 0 H LYS A 77 12.907 -1.979 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 77 11.208 0.310 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.901 -0.978 -10.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.330 -0.224 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.759 1.341 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.444 1.131 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.043 1.941 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.633 2.415 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.886 4.384 -10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.498 3.697 -10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.801 4.438 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.006 2.753 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.444 3.418 -12.902 1.00 0.00 H new ATOM 1138 N ILE A 78 9.259 -1.105 -7.675 1.00 0.00 N ATOM 1139 CA ILE A 78 8.104 -1.921 -7.321 1.00 0.00 C ATOM 1140 C ILE A 78 6.815 -1.111 -7.398 1.00 0.00 C ATOM 1141 O ILE A 78 6.840 0.120 -7.376 1.00 0.00 O ATOM 1142 CB ILE A 78 8.244 -2.508 -5.904 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.221 -1.390 -4.860 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.526 -3.320 -5.791 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.729 -1.841 -3.502 1.00 0.00 C ATOM 0 H ILE A 78 9.279 -0.186 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 78 8.061 -2.738 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 78 7.399 -3.171 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.226 -0.981 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.583 -0.582 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.611 -3.728 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.504 -4.136 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.383 -2.678 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.739 -0.997 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.712 -2.223 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.380 -2.628 -3.122 1.00 0.00 H new ATOM 1157 N PHE A 79 5.688 -1.810 -7.487 1.00 0.00 N ATOM 1158 CA PHE A 79 4.387 -1.156 -7.567 1.00 0.00 C ATOM 1159 C PHE A 79 3.594 -1.365 -6.280 1.00 0.00 C ATOM 1160 O PHE A 79 3.512 -2.479 -5.762 1.00 0.00 O ATOM 1161 CB PHE A 79 3.595 -1.693 -8.761 1.00 0.00 C ATOM 1162 CG PHE A 79 4.257 -1.436 -10.084 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.208 -0.179 -10.665 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.927 -2.451 -10.748 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.817 0.062 -11.883 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.538 -2.216 -11.965 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.482 -0.959 -12.534 1.00 0.00 C ATOM 0 H PHE A 79 5.650 -2.829 -7.506 1.00 0.00 H new ATOM 0 HA PHE A 79 4.553 -0.087 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.451 -2.766 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.605 -1.237 -8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.688 0.622 -10.161 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.972 -3.437 -10.309 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.773 1.047 -12.324 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.059 -3.015 -12.471 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.957 -0.774 -13.486 1.00 0.00 H new ATOM 1177 N VAL A 80 3.011 -0.285 -5.770 1.00 0.00 N ATOM 1178 CA VAL A 80 2.223 -0.349 -4.544 1.00 0.00 C ATOM 1179 C VAL A 80 0.736 -0.188 -4.838 1.00 0.00 C ATOM 1180 O VAL A 80 0.339 0.653 -5.645 1.00 0.00 O ATOM 1181 CB VAL A 80 2.658 0.737 -3.541 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.797 0.681 -2.288 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.130 0.581 -3.193 1.00 0.00 C ATOM 0 H VAL A 80 3.069 0.644 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 80 2.399 -1.331 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 80 2.519 1.713 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.118 1.455 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.753 0.845 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.902 -0.297 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.420 1.356 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.297 -0.400 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.730 0.675 -4.098 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.083 -1.000 -4.177 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.527 -0.948 -4.368 1.00 0.00 C ATOM 1195 C ARG A 81 -2.259 -1.327 -3.083 1.00 0.00 C ATOM 1196 O ARG A 81 -1.893 -2.289 -2.409 1.00 0.00 O ATOM 1197 CB ARG A 81 -1.947 -1.886 -5.502 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.666 -3.352 -5.216 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.388 -4.260 -6.199 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.664 -5.575 -5.629 1.00 0.00 N ATOM 1201 CZ ARG A 81 -2.991 -6.638 -6.356 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.084 -6.540 -7.675 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.227 -7.802 -5.763 1.00 0.00 N ATOM 0 H ARG A 81 0.229 -1.701 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.797 0.074 -4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.013 -1.759 -5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.425 -1.596 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.593 -3.535 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.979 -3.592 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.325 -3.793 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.783 -4.375 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.602 -5.684 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.904 -5.647 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.335 -7.358 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.157 -7.881 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.478 -8.617 -6.322 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.294 -0.562 -2.751 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.078 -0.817 -1.548 1.00 0.00 C ATOM 1219 C VAL A 82 -5.570 -0.853 -1.861 1.00 0.00 C ATOM 1220 O VAL A 82 -6.012 -0.338 -2.888 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.816 0.252 -0.471 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.342 0.284 -0.098 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.283 1.617 -0.951 1.00 0.00 C ATOM 0 H VAL A 82 -3.609 0.239 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.767 -1.790 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.386 -0.008 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.176 1.045 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.044 -0.690 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.748 0.519 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.090 2.360 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.742 1.888 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.352 1.582 -1.162 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.342 -1.463 -0.968 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.785 -1.565 -1.147 1.00 0.00 C ATOM 1235 C LYS A 83 -8.490 -1.714 0.198 1.00 0.00 C ATOM 1236 O LYS A 83 -7.844 -1.850 1.236 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.126 -2.754 -2.048 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.474 -4.055 -1.610 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.811 -5.194 -2.558 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.299 -6.526 -2.033 1.00 0.00 C ATOM 1241 NZ LYS A 83 -5.815 -6.539 -1.907 1.00 0.00 N ATOM 0 H LYS A 83 -5.992 -1.894 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.133 -0.647 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.208 -2.887 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.816 -2.527 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.393 -3.925 -1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.805 -4.308 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.891 -5.247 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.374 -4.995 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.748 -6.730 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.614 -7.326 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.497 -7.494 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.387 -6.270 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.523 -5.863 -1.173 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.819 -1.688 0.170 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.611 -1.823 1.386 1.00 0.00 C ATOM 1257 C ALA A 84 -11.289 -3.188 1.450 1.00 0.00 C ATOM 1258 O ALA A 84 -12.129 -3.515 0.612 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.648 -0.713 1.467 1.00 0.00 C ATOM 0 H ALA A 84 -10.369 -1.575 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.938 -1.739 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.232 -0.827 2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.146 0.254 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.310 -0.770 0.603 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.917 -3.982 2.450 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.489 -5.311 2.624 1.00 0.00 C ATOM 1267 C VAL A 85 -12.370 -5.372 3.867 1.00 0.00 C ATOM 1268 O VAL A 85 -11.960 -4.960 4.951 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.391 -6.385 2.733 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.003 -7.749 3.013 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.551 -6.419 1.465 1.00 0.00 C ATOM 0 H VAL A 85 -10.222 -3.727 3.152 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.097 -5.512 1.742 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.738 -6.128 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.211 -8.495 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.557 -7.714 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.680 -8.017 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.780 -7.184 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.189 -6.651 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.081 -5.447 1.314 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.583 -5.891 3.701 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.523 -6.006 4.810 1.00 0.00 C ATOM 1283 C ASN A 86 -15.270 -7.335 4.754 1.00 0.00 C ATOM 1284 O ASN A 86 -15.135 -8.094 3.795 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.520 -4.846 4.784 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.828 -4.380 3.374 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -16.941 -4.557 2.880 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.840 -3.782 2.719 1.00 0.00 N ATOM 0 H ASN A 86 -13.937 -6.238 2.810 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.956 -5.967 5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.445 -5.154 5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.118 -4.012 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.988 -3.448 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.933 -3.656 3.168 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.059 -7.608 5.788 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.830 -8.843 5.856 1.00 0.00 C ATOM 1297 C ALA A 87 -17.642 -9.054 4.582 1.00 0.00 C ATOM 1298 O ALA A 87 -17.702 -10.161 4.049 1.00 0.00 O ATOM 1299 CB ALA A 87 -17.745 -8.829 7.071 1.00 0.00 C ATOM 0 H ALA A 87 -16.181 -6.990 6.590 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.131 -9.673 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.314 -9.758 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.146 -8.734 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.431 -7.985 7.000 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.266 -7.984 4.101 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.074 -8.051 2.889 1.00 0.00 C ATOM 1307 C ALA A 88 -18.262 -8.594 1.718 1.00 0.00 C ATOM 1308 O ALA A 88 -18.592 -9.635 1.150 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.636 -6.679 2.552 1.00 0.00 C ATOM 0 H ALA A 88 -18.228 -7.060 4.532 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.902 -8.735 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.237 -6.745 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.259 -6.329 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.816 -5.979 2.394 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.198 -7.881 1.360 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.356 -8.307 0.257 1.00 0.00 C ATOM 1317 C GLY A 89 -15.085 -7.489 0.149 1.00 0.00 C ATOM 1318 O GLY A 89 -14.478 -7.136 1.159 1.00 0.00 O ATOM 0 H GLY A 89 -16.904 -7.016 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.098 -9.358 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.916 -8.228 -0.675 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.680 -7.188 -1.081 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.473 -6.406 -1.318 1.00 0.00 C ATOM 1324 C ALA A 90 -13.741 -5.263 -2.291 1.00 0.00 C ATOM 1325 O ALA A 90 -14.669 -5.327 -3.098 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.360 -7.300 -1.844 1.00 0.00 C ATOM 0 H ALA A 90 -15.170 -7.474 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.158 -5.973 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.465 -6.703 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.142 -8.078 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.675 -7.760 -2.780 1.00 0.00 H new ATOM 1332 N SER A 91 -12.924 -4.218 -2.210 1.00 0.00 N ATOM 1333 CA SER A 91 -13.076 -3.059 -3.081 1.00 0.00 C ATOM 1334 C SER A 91 -12.047 -3.087 -4.207 1.00 0.00 C ATOM 1335 O SER A 91 -11.110 -3.883 -4.185 1.00 0.00 O ATOM 1336 CB SER A 91 -12.933 -1.767 -2.275 1.00 0.00 C ATOM 1337 OG SER A 91 -14.187 -1.336 -1.775 1.00 0.00 O ATOM 0 H SER A 91 -12.150 -4.150 -1.550 1.00 0.00 H new ATOM 0 HA SER A 91 -14.072 -3.095 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.243 -1.926 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.502 -0.988 -2.904 1.00 0.00 H new ATOM 0 HG SER A 91 -14.068 -0.509 -1.262 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.230 -2.210 -5.190 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.318 -2.135 -6.325 1.00 0.00 C ATOM 1345 C GLU A 92 -9.931 -1.681 -5.879 1.00 0.00 C ATOM 1346 O GLU A 92 -9.780 -0.862 -4.972 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.865 -1.175 -7.384 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.712 0.291 -7.015 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.878 1.213 -8.207 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.077 1.101 -9.159 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.807 2.047 -8.187 1.00 0.00 O ATOM 0 H GLU A 92 -13.001 -1.543 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.233 -3.132 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.352 -1.359 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.921 -1.391 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.450 0.549 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.729 0.450 -6.572 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.893 -2.225 -6.531 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.500 -1.892 -6.220 1.00 0.00 C ATOM 1360 C PRO A 93 -7.139 -0.468 -6.632 1.00 0.00 C ATOM 1361 O PRO A 93 -7.654 0.052 -7.622 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.700 -2.905 -7.042 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.601 -3.272 -8.171 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.999 -3.207 -7.623 1.00 0.00 C ATOM 0 HA PRO A 93 -7.299 -1.938 -5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.767 -2.473 -7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.436 -3.779 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.478 -2.585 -9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.374 -4.271 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.713 -2.888 -8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.333 -4.178 -7.259 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.250 0.156 -5.867 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.817 1.519 -6.153 1.00 0.00 C ATOM 1374 C LYS A 94 -4.303 1.585 -6.325 1.00 0.00 C ATOM 1375 O LYS A 94 -3.551 1.384 -5.371 1.00 0.00 O ATOM 1376 CB LYS A 94 -6.254 2.461 -5.028 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.632 3.844 -5.117 1.00 0.00 C ATOM 1378 CD LYS A 94 -6.357 4.718 -6.126 1.00 0.00 C ATOM 1379 CE LYS A 94 -6.256 6.191 -5.761 1.00 0.00 C ATOM 1380 NZ LYS A 94 -7.224 7.021 -6.530 1.00 0.00 N ATOM 0 H LYS A 94 -5.815 -0.260 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.285 1.834 -7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.339 2.558 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.991 2.015 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.659 4.320 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.583 3.755 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.934 4.558 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.406 4.425 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.440 6.314 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.243 6.544 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.124 8.018 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.033 6.924 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.193 6.701 -6.328 1.00 0.00 H new ATOM 1394 N TYR A 95 -3.863 1.868 -7.546 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.439 1.959 -7.843 1.00 0.00 C ATOM 1396 C TYR A 95 -1.990 3.415 -7.918 1.00 0.00 C ATOM 1397 O TYR A 95 -2.695 4.267 -8.459 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.125 1.248 -9.161 1.00 0.00 C ATOM 1399 CG TYR A 95 -2.878 -0.050 -9.344 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.211 -0.054 -9.737 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.256 -1.273 -9.124 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -4.903 -1.238 -9.904 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -2.940 -2.462 -9.290 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.263 -2.439 -9.679 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.949 -3.621 -9.846 1.00 0.00 O ATOM 0 H TYR A 95 -4.472 2.038 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.893 1.471 -7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.362 1.916 -9.989 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.055 1.047 -9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.715 0.885 -9.915 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.220 -1.295 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.939 -1.223 -10.209 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.441 -3.404 -9.116 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.355 -4.375 -9.649 1.00 0.00 H new ATOM 1415 N TYR A 96 -0.811 3.692 -7.371 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.267 5.045 -7.373 1.00 0.00 C ATOM 1417 C TYR A 96 0.042 5.506 -8.795 1.00 0.00 C ATOM 1418 O TYR A 96 0.051 4.706 -9.730 1.00 0.00 O ATOM 1419 CB TYR A 96 0.999 5.109 -6.518 1.00 0.00 C ATOM 1420 CG TYR A 96 1.353 6.507 -6.064 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.383 7.356 -5.545 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.656 6.980 -6.155 1.00 0.00 C ATOM 1423 CE1 TYR A 96 0.701 8.635 -5.129 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.984 8.256 -5.740 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.003 9.080 -5.228 1.00 0.00 C ATOM 1426 OH TYR A 96 2.325 10.352 -4.816 1.00 0.00 O ATOM 0 H TYR A 96 -0.214 2.998 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.018 5.712 -6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.868 4.474 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.833 4.699 -7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.637 7.010 -5.465 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.426 6.339 -6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.065 9.282 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.003 8.607 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 96 2.018 10.485 -3.895 1.00 0.00 H new ATOM 1436 N SER A 97 0.294 6.802 -8.948 1.00 0.00 N ATOM 1437 CA SER A 97 0.601 7.371 -10.255 1.00 0.00 C ATOM 1438 C SER A 97 1.960 6.889 -10.753 1.00 0.00 C ATOM 1439 O SER A 97 2.049 6.186 -11.759 1.00 0.00 O ATOM 1440 CB SER A 97 0.584 8.900 -10.185 1.00 0.00 C ATOM 1441 OG SER A 97 0.218 9.463 -11.433 1.00 0.00 O ATOM 0 H SER A 97 0.292 7.477 -8.184 1.00 0.00 H new ATOM 0 HA SER A 97 -0.163 7.037 -10.957 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.117 9.224 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.569 9.265 -9.892 1.00 0.00 H new ATOM 0 HG SER A 97 0.213 10.440 -11.362 1.00 0.00 H new ATOM 1447 N GLN A 98 3.014 7.271 -10.039 1.00 0.00 N ATOM 1448 CA GLN A 98 4.369 6.878 -10.409 1.00 0.00 C ATOM 1449 C GLN A 98 4.877 5.759 -9.506 1.00 0.00 C ATOM 1450 O GLN A 98 4.419 5.585 -8.376 1.00 0.00 O ATOM 1451 CB GLN A 98 5.311 8.081 -10.330 1.00 0.00 C ATOM 1452 CG GLN A 98 5.212 9.011 -11.529 1.00 0.00 C ATOM 1453 CD GLN A 98 6.459 9.852 -11.718 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.681 10.824 -10.996 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.280 9.483 -12.694 1.00 0.00 N ATOM 0 H GLN A 98 2.956 7.851 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 98 4.346 6.510 -11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.091 8.645 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.337 7.723 -10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.036 8.421 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.351 9.667 -11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.057 8.670 -13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.134 10.012 -12.869 1.00 0.00 H new ATOM 1464 N PRO A 99 5.845 4.982 -10.013 1.00 0.00 N ATOM 1465 CA PRO A 99 6.436 3.866 -9.268 1.00 0.00 C ATOM 1466 C PRO A 99 7.293 4.339 -8.099 1.00 0.00 C ATOM 1467 O PRO A 99 7.938 5.385 -8.174 1.00 0.00 O ATOM 1468 CB PRO A 99 7.301 3.160 -10.315 1.00 0.00 C ATOM 1469 CG PRO A 99 7.630 4.218 -11.311 1.00 0.00 C ATOM 1470 CD PRO A 99 6.437 5.132 -11.353 1.00 0.00 C ATOM 0 HA PRO A 99 5.676 3.225 -8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.203 2.744 -9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.764 2.333 -10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.529 4.762 -11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.824 3.784 -12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.728 6.164 -11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.737 4.843 -12.136 1.00 0.00 H new ATOM 1478 N ILE A 100 7.296 3.562 -7.021 1.00 0.00 N ATOM 1479 CA ILE A 100 8.076 3.902 -5.838 1.00 0.00 C ATOM 1480 C ILE A 100 9.488 3.332 -5.928 1.00 0.00 C ATOM 1481 O ILE A 100 9.685 2.118 -5.858 1.00 0.00 O ATOM 1482 CB ILE A 100 7.405 3.380 -4.553 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.013 3.994 -4.394 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.269 3.693 -3.340 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.929 3.228 -5.121 1.00 0.00 C ATOM 0 H ILE A 100 6.767 2.693 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 100 8.128 4.990 -5.796 1.00 0.00 H new ATOM 0 HB ILE A 100 7.298 2.298 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.765 4.042 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.032 5.019 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.782 3.318 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.242 3.214 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.403 4.772 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.969 3.720 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.154 3.202 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.882 2.210 -4.735 1.00 0.00 H new ATOM 1497 N LEU A 101 10.468 4.216 -6.081 1.00 0.00 N ATOM 1498 CA LEU A 101 11.863 3.802 -6.179 1.00 0.00 C ATOM 1499 C LEU A 101 12.495 3.689 -4.795 1.00 0.00 C ATOM 1500 O LEU A 101 12.839 4.694 -4.174 1.00 0.00 O ATOM 1501 CB LEU A 101 12.652 4.797 -7.033 1.00 0.00 C ATOM 1502 CG LEU A 101 14.175 4.671 -6.974 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.642 3.468 -7.778 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.835 5.944 -7.483 1.00 0.00 C ATOM 0 H LEU A 101 10.322 5.224 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 101 11.893 2.821 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.338 4.684 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.379 5.806 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 101 14.469 4.524 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.728 3.394 -7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.196 2.562 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.337 3.585 -8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.919 5.837 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.534 6.122 -8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.525 6.787 -6.865 1.00 0.00 H new ATOM 1516 N VAL A 102 12.648 2.457 -4.319 1.00 0.00 N ATOM 1517 CA VAL A 102 13.242 2.211 -3.011 1.00 0.00 C ATOM 1518 C VAL A 102 14.682 2.709 -2.959 1.00 0.00 C ATOM 1519 O VAL A 102 15.623 1.947 -3.178 1.00 0.00 O ATOM 1520 CB VAL A 102 13.216 0.713 -2.655 1.00 0.00 C ATOM 1521 CG1 VAL A 102 13.489 -0.134 -3.888 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.222 0.409 -1.555 1.00 0.00 C ATOM 0 H VAL A 102 12.368 1.614 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 102 12.644 2.760 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 102 12.222 0.463 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.467 -1.189 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.726 0.063 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.470 0.116 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.190 -0.654 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.223 0.675 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.975 0.988 -0.665 1.00 0.00 H new ATOM 1532 N LYS A 103 14.847 3.995 -2.666 1.00 0.00 N ATOM 1533 CA LYS A 103 16.173 4.597 -2.583 1.00 0.00 C ATOM 1534 C LYS A 103 16.280 5.509 -1.365 1.00 0.00 C ATOM 1535 O LYS A 103 15.293 6.106 -0.937 1.00 0.00 O ATOM 1536 CB LYS A 103 16.476 5.390 -3.856 1.00 0.00 C ATOM 1537 CG LYS A 103 17.897 5.922 -3.917 1.00 0.00 C ATOM 1538 CD LYS A 103 18.836 4.929 -4.582 1.00 0.00 C ATOM 1539 CE LYS A 103 18.896 5.141 -6.087 1.00 0.00 C ATOM 1540 NZ LYS A 103 17.793 4.431 -6.792 1.00 0.00 N ATOM 0 H LYS A 103 14.079 4.640 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 103 16.904 3.795 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.298 4.753 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.780 6.226 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.911 6.862 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.249 6.138 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.835 5.032 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.503 3.913 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.840 6.207 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.855 4.788 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 17.437 5.025 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.149 3.534 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 17.021 4.237 -6.123 1.00 0.00 H new ATOM 1554 N GLU A 104 17.485 5.613 -0.814 1.00 0.00 N ATOM 1555 CA GLU A 104 17.720 6.454 0.354 1.00 0.00 C ATOM 1556 C GLU A 104 17.736 7.930 -0.032 1.00 0.00 C ATOM 1557 O GLU A 104 18.094 8.285 -1.155 1.00 0.00 O ATOM 1558 CB GLU A 104 19.043 6.076 1.024 1.00 0.00 C ATOM 1559 CG GLU A 104 19.491 7.066 2.087 1.00 0.00 C ATOM 1560 CD GLU A 104 20.306 8.208 1.513 1.00 0.00 C ATOM 1561 OE1 GLU A 104 21.515 8.012 1.270 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.734 9.299 1.307 1.00 0.00 O ATOM 0 H GLU A 104 18.313 5.126 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 104 16.904 6.290 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.942 5.090 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.818 5.999 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.615 7.469 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.083 6.544 2.838 1.00 0.00 H new