USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -153:sc= 0.832 USER MOD Single : A 18 THR OG1 : rot 76:sc= 0.421 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.822 K(o=0.82,f=-0.017) USER MOD Single : A 25 CYS SG : rot 100:sc= 0.00507 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 170:sc= -0.632 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.395 K(o=-0.4,f=-3.7!) USER MOD Single : A 54 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.32) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 136:sc= 0.198 USER MOD Single : A 60 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-2.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 150:sc= -0.45 (180deg=-1.81!) USER MOD Single : A 70 CYS SG : rot -159:sc= 1.22 USER MOD Single : A 71 SER OG : rot -57:sc= 0.0186 USER MOD Single : A 75 HIS : no HD1:sc=-0.00338 X(o=-0.0034,f=0) USER MOD Single : A 76 MET CE :methyl -150:sc= -0.131 (180deg=-1.71) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.990 -7.529 -15.744 1.00 0.00 N ATOM 2 CA PRO A 1 -2.396 -6.116 -15.504 1.00 0.00 C ATOM 3 C PRO A 1 -1.206 -5.155 -15.596 1.00 0.00 C ATOM 4 O PRO A 1 -0.100 -5.558 -15.964 1.00 0.00 O ATOM 5 CB PRO A 1 -3.033 -6.051 -14.118 1.00 0.00 C ATOM 6 CG PRO A 1 -2.783 -7.400 -13.532 1.00 0.00 C ATOM 7 CD PRO A 1 -2.623 -8.348 -14.695 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.975 -7.623 -15.710 1.00 0.00 H new ATOM 0 H3 PRO A 1 -2.287 -7.837 -16.670 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.103 -5.804 -16.272 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.585 -5.265 -13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -4.100 -5.836 -14.180 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.887 -7.393 -12.911 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -3.612 -7.705 -12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.002 -9.204 -14.429 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -3.585 -8.742 -15.023 1.00 0.00 H new ATOM 17 N ARG A 2 -1.440 -3.885 -15.257 1.00 0.00 N ATOM 18 CA ARG A 2 -0.386 -2.868 -15.300 1.00 0.00 C ATOM 19 C ARG A 2 0.295 -2.724 -13.940 1.00 0.00 C ATOM 20 O ARG A 2 -0.255 -3.129 -12.916 1.00 0.00 O ATOM 21 CB ARG A 2 -0.969 -1.520 -15.732 1.00 0.00 C ATOM 22 CG ARG A 2 -1.382 -1.470 -17.194 1.00 0.00 C ATOM 23 CD ARG A 2 -2.896 -1.504 -17.346 1.00 0.00 C ATOM 24 NE ARG A 2 -3.308 -2.124 -18.606 1.00 0.00 N ATOM 25 CZ ARG A 2 -4.522 -1.984 -19.149 1.00 0.00 C ATOM 26 NH1 ARG A 2 -5.456 -1.254 -18.546 1.00 0.00 N ATOM 27 NH2 ARG A 2 -4.804 -2.583 -20.301 1.00 0.00 N ATOM 0 H ARG A 2 -2.348 -3.537 -14.950 1.00 0.00 H new ATOM 0 HA ARG A 2 0.360 -3.188 -16.027 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.836 -1.294 -15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.232 -0.739 -15.546 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.989 -0.563 -17.654 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.943 -2.313 -17.727 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.332 -2.054 -16.512 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.288 -0.488 -17.297 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.626 -2.699 -19.101 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.250 -0.793 -17.660 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.378 -1.155 -18.970 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.095 -3.148 -20.769 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.729 -2.478 -20.717 1.00 0.00 H new ATOM 41 N VAL A 3 1.495 -2.138 -13.940 1.00 0.00 N ATOM 42 CA VAL A 3 2.247 -1.935 -12.702 1.00 0.00 C ATOM 43 C VAL A 3 2.332 -0.447 -12.347 1.00 0.00 C ATOM 44 O VAL A 3 2.927 0.345 -13.081 1.00 0.00 O ATOM 45 CB VAL A 3 3.669 -2.544 -12.795 1.00 0.00 C ATOM 46 CG1 VAL A 3 4.493 -1.870 -13.886 1.00 0.00 C ATOM 47 CG2 VAL A 3 4.380 -2.455 -11.450 1.00 0.00 C ATOM 0 H VAL A 3 1.964 -1.798 -14.780 1.00 0.00 H new ATOM 0 HA VAL A 3 1.707 -2.452 -11.908 1.00 0.00 H new ATOM 0 HB VAL A 3 3.564 -3.596 -13.062 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.485 -2.321 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.998 -2.000 -14.848 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.586 -0.806 -13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.377 -2.888 -11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.463 -1.410 -11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.810 -3.003 -10.700 1.00 0.00 H new ATOM 57 N ARG A 4 1.725 -0.074 -11.220 1.00 0.00 N ATOM 58 CA ARG A 4 1.723 1.314 -10.766 1.00 0.00 C ATOM 59 C ARG A 4 2.475 1.459 -9.441 1.00 0.00 C ATOM 60 O ARG A 4 2.398 0.588 -8.575 1.00 0.00 O ATOM 61 CB ARG A 4 0.283 1.815 -10.609 1.00 0.00 C ATOM 62 CG ARG A 4 0.186 3.257 -10.137 1.00 0.00 C ATOM 63 CD ARG A 4 -1.037 3.958 -10.711 1.00 0.00 C ATOM 64 NE ARG A 4 -1.113 5.356 -10.289 1.00 0.00 N ATOM 65 CZ ARG A 4 -2.221 6.099 -10.348 1.00 0.00 C ATOM 66 NH1 ARG A 4 -3.357 5.589 -10.819 1.00 0.00 N ATOM 67 NH2 ARG A 4 -2.191 7.362 -9.933 1.00 0.00 N ATOM 0 H ARG A 4 1.227 -0.717 -10.604 1.00 0.00 H new ATOM 0 HA ARG A 4 2.233 1.918 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.232 1.719 -11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.240 1.174 -9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.141 3.281 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.086 3.797 -10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.006 3.909 -11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.938 3.434 -10.394 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.265 5.792 -9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.387 4.621 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.197 6.166 -10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.324 7.760 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.035 7.933 -9.976 1.00 0.00 H new ATOM 81 N SER A 5 3.200 2.571 -9.293 1.00 0.00 N ATOM 82 CA SER A 5 3.966 2.837 -8.076 1.00 0.00 C ATOM 83 C SER A 5 3.397 4.037 -7.320 1.00 0.00 C ATOM 84 O SER A 5 3.193 5.105 -7.901 1.00 0.00 O ATOM 85 CB SER A 5 5.439 3.088 -8.413 1.00 0.00 C ATOM 86 OG SER A 5 6.167 1.873 -8.457 1.00 0.00 O ATOM 0 H SER A 5 3.272 3.301 -10.002 1.00 0.00 H new ATOM 0 HA SER A 5 3.891 1.957 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.514 3.595 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.878 3.752 -7.668 1.00 0.00 H new ATOM 0 HG SER A 5 7.104 2.061 -8.676 1.00 0.00 H new ATOM 92 N VAL A 6 3.149 3.857 -6.020 1.00 0.00 N ATOM 93 CA VAL A 6 2.609 4.926 -5.180 1.00 0.00 C ATOM 94 C VAL A 6 3.601 5.305 -4.077 1.00 0.00 C ATOM 95 O VAL A 6 4.135 4.436 -3.387 1.00 0.00 O ATOM 96 CB VAL A 6 1.267 4.513 -4.531 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.612 5.702 -3.834 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.329 3.912 -5.568 1.00 0.00 C ATOM 0 H VAL A 6 3.314 2.979 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 6 2.438 5.785 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 6 1.475 3.752 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.330 5.387 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.276 6.079 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.421 6.491 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.609 3.629 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.131 4.647 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.792 3.030 -6.010 1.00 0.00 H new ATOM 108 N GLU A 7 3.841 6.608 -3.921 1.00 0.00 N ATOM 109 CA GLU A 7 4.766 7.107 -2.907 1.00 0.00 C ATOM 110 C GLU A 7 4.009 7.628 -1.686 1.00 0.00 C ATOM 111 O GLU A 7 3.479 8.739 -1.699 1.00 0.00 O ATOM 112 CB GLU A 7 5.646 8.216 -3.494 1.00 0.00 C ATOM 113 CG GLU A 7 6.830 7.692 -4.294 1.00 0.00 C ATOM 114 CD GLU A 7 7.858 8.770 -4.590 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.490 9.265 -3.634 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.033 9.112 -5.777 1.00 0.00 O ATOM 0 H GLU A 7 3.406 7.337 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 7 5.401 6.280 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.036 8.851 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.015 8.844 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.307 6.882 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.471 7.270 -5.233 1.00 0.00 H new ATOM 123 N VAL A 8 3.962 6.813 -0.636 1.00 0.00 N ATOM 124 CA VAL A 8 3.269 7.181 0.595 1.00 0.00 C ATOM 125 C VAL A 8 4.183 7.983 1.521 1.00 0.00 C ATOM 126 O VAL A 8 5.120 7.440 2.107 1.00 0.00 O ATOM 127 CB VAL A 8 2.749 5.936 1.346 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.805 6.340 2.469 1.00 0.00 C ATOM 129 CG2 VAL A 8 2.061 4.974 0.386 1.00 0.00 C ATOM 0 H VAL A 8 4.397 5.891 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 8 2.418 7.798 0.307 1.00 0.00 H new ATOM 0 HB VAL A 8 3.604 5.424 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.450 5.448 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.333 6.982 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.955 6.880 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.703 4.104 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.218 5.475 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.770 4.653 -0.378 1.00 0.00 H new ATOM 139 N ALA A 9 3.899 9.277 1.647 1.00 0.00 N ATOM 140 CA ALA A 9 4.685 10.167 2.496 1.00 0.00 C ATOM 141 C ALA A 9 4.058 10.299 3.880 1.00 0.00 C ATOM 142 O ALA A 9 3.206 11.160 4.097 1.00 0.00 O ATOM 143 CB ALA A 9 4.812 11.536 1.842 1.00 0.00 C ATOM 0 H ALA A 9 3.124 9.735 1.167 1.00 0.00 H new ATOM 0 HA ALA A 9 5.679 9.736 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.400 12.192 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.307 11.433 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.820 11.964 1.697 1.00 0.00 H new ATOM 149 N ARG A 10 4.489 9.439 4.809 1.00 0.00 N ATOM 150 CA ARG A 10 3.973 9.448 6.187 1.00 0.00 C ATOM 151 C ARG A 10 3.699 10.874 6.663 1.00 0.00 C ATOM 152 O ARG A 10 4.607 11.706 6.716 1.00 0.00 O ATOM 153 CB ARG A 10 4.964 8.768 7.142 1.00 0.00 C ATOM 154 CG ARG A 10 4.310 8.178 8.385 1.00 0.00 C ATOM 155 CD ARG A 10 5.241 8.229 9.589 1.00 0.00 C ATOM 156 NE ARG A 10 4.599 7.725 10.804 1.00 0.00 N ATOM 157 CZ ARG A 10 4.372 6.428 11.049 1.00 0.00 C ATOM 158 NH1 ARG A 10 4.726 5.500 10.163 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.787 6.063 12.185 1.00 0.00 N ATOM 0 H ARG A 10 5.196 8.725 4.633 1.00 0.00 H new ATOM 0 HA ARG A 10 3.035 8.892 6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.486 7.975 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.717 9.495 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.395 8.726 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.024 7.145 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.134 7.640 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.567 9.256 9.751 1.00 0.00 H new ATOM 0 HE ARG A 10 4.306 8.403 11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.174 5.774 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.549 4.515 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.512 6.770 12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.613 5.076 12.375 1.00 0.00 H new ATOM 173 N GLY A 11 2.439 11.151 6.995 1.00 0.00 N ATOM 174 CA GLY A 11 2.060 12.477 7.450 1.00 0.00 C ATOM 175 C GLY A 11 2.463 12.741 8.889 1.00 0.00 C ATOM 176 O GLY A 11 3.649 12.726 9.221 1.00 0.00 O ATOM 0 H GLY A 11 1.673 10.478 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.523 13.224 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.981 12.595 7.352 1.00 0.00 H new ATOM 180 N ARG A 12 1.474 12.985 9.744 1.00 0.00 N ATOM 181 CA ARG A 12 1.730 13.260 11.157 1.00 0.00 C ATOM 182 C ARG A 12 1.180 12.150 12.047 1.00 0.00 C ATOM 183 O ARG A 12 1.805 11.778 13.040 1.00 0.00 O ATOM 184 CB ARG A 12 1.129 14.610 11.556 1.00 0.00 C ATOM 185 CG ARG A 12 2.165 15.606 12.061 1.00 0.00 C ATOM 186 CD ARG A 12 1.612 16.494 13.170 1.00 0.00 C ATOM 187 NE ARG A 12 0.272 16.999 12.859 1.00 0.00 N ATOM 188 CZ ARG A 12 -0.863 16.456 13.315 1.00 0.00 C ATOM 189 NH1 ARG A 12 -0.836 15.381 14.101 1.00 0.00 N ATOM 190 NH2 ARG A 12 -2.032 16.987 12.979 1.00 0.00 N ATOM 0 H ARG A 12 0.488 12.998 9.484 1.00 0.00 H new ATOM 0 HA ARG A 12 2.810 13.299 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.613 15.038 10.697 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.380 14.451 12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.037 15.066 12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.503 16.229 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.578 15.930 14.102 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.287 17.335 13.330 1.00 0.00 H new ATOM 0 HE ARG A 12 0.200 17.818 12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.057 14.962 14.362 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.708 14.977 14.442 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.064 17.808 12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.898 16.574 13.326 1.00 0.00 H new ATOM 204 N ALA A 13 0.012 11.621 11.689 1.00 0.00 N ATOM 205 CA ALA A 13 -0.608 10.550 12.464 1.00 0.00 C ATOM 206 C ALA A 13 -0.591 9.218 11.706 1.00 0.00 C ATOM 207 O ALA A 13 -1.456 8.365 11.916 1.00 0.00 O ATOM 208 CB ALA A 13 -2.033 10.930 12.843 1.00 0.00 C ATOM 0 H ALA A 13 -0.522 11.915 10.871 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.022 10.417 13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.483 10.123 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.020 11.841 13.442 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.617 11.099 11.938 1.00 0.00 H new ATOM 214 N GLY A 14 0.402 9.039 10.827 1.00 0.00 N ATOM 215 CA GLY A 14 0.508 7.804 10.066 1.00 0.00 C ATOM 216 C GLY A 14 0.536 8.037 8.566 1.00 0.00 C ATOM 217 O GLY A 14 0.830 9.141 8.107 1.00 0.00 O ATOM 0 H GLY A 14 1.130 9.726 10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.414 7.276 10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.334 7.157 10.313 1.00 0.00 H new ATOM 221 N TYR A 15 0.230 6.987 7.802 1.00 0.00 N ATOM 222 CA TYR A 15 0.222 7.071 6.340 1.00 0.00 C ATOM 223 C TYR A 15 -1.154 7.486 5.822 1.00 0.00 C ATOM 224 O TYR A 15 -1.276 8.461 5.077 1.00 0.00 O ATOM 225 CB TYR A 15 0.636 5.730 5.726 1.00 0.00 C ATOM 226 CG TYR A 15 2.053 5.308 6.065 1.00 0.00 C ATOM 227 CD1 TYR A 15 3.144 6.062 5.651 1.00 0.00 C ATOM 228 CD2 TYR A 15 2.296 4.150 6.794 1.00 0.00 C ATOM 229 CE1 TYR A 15 4.436 5.675 5.952 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.585 3.757 7.101 1.00 0.00 C ATOM 231 CZ TYR A 15 4.651 4.522 6.677 1.00 0.00 C ATOM 232 OH TYR A 15 5.936 4.133 6.978 1.00 0.00 O ATOM 0 H TYR A 15 -0.016 6.068 8.171 1.00 0.00 H new ATOM 0 HA TYR A 15 0.942 7.833 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.054 4.958 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.535 5.792 4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.979 6.966 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.464 3.547 7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.273 6.272 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.756 2.855 7.670 1.00 0.00 H new ATOM 0 HH TYR A 15 5.966 3.160 7.089 1.00 0.00 H new ATOM 242 N GLY A 16 -2.183 6.744 6.226 1.00 0.00 N ATOM 243 CA GLY A 16 -3.541 7.052 5.805 1.00 0.00 C ATOM 244 C GLY A 16 -4.100 6.060 4.797 1.00 0.00 C ATOM 245 O GLY A 16 -4.378 6.422 3.653 1.00 0.00 O ATOM 0 H GLY A 16 -2.100 5.933 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.189 7.073 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.561 8.051 5.370 1.00 0.00 H new ATOM 249 N PHE A 17 -4.274 4.812 5.227 1.00 0.00 N ATOM 250 CA PHE A 17 -4.813 3.763 4.355 1.00 0.00 C ATOM 251 C PHE A 17 -5.190 2.510 5.154 1.00 0.00 C ATOM 252 O PHE A 17 -4.905 2.418 6.350 1.00 0.00 O ATOM 253 CB PHE A 17 -3.798 3.405 3.259 1.00 0.00 C ATOM 254 CG PHE A 17 -2.609 2.632 3.763 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.604 3.264 4.474 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.505 1.269 3.527 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.515 2.554 4.942 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.417 0.555 3.993 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.423 1.196 4.702 1.00 0.00 C ATOM 0 H PHE A 17 -4.051 4.500 6.172 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.719 4.151 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.300 2.820 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.449 4.323 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.672 4.325 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.281 0.761 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.263 3.059 5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.345 -0.506 3.802 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.426 0.638 5.069 1.00 0.00 H new ATOM 269 N THR A 18 -5.833 1.548 4.481 1.00 0.00 N ATOM 270 CA THR A 18 -6.249 0.299 5.126 1.00 0.00 C ATOM 271 C THR A 18 -5.650 -0.920 4.416 1.00 0.00 C ATOM 272 O THR A 18 -5.242 -0.836 3.255 1.00 0.00 O ATOM 273 CB THR A 18 -7.780 0.187 5.145 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.380 1.458 5.330 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.301 -0.727 6.236 1.00 0.00 C ATOM 0 H THR A 18 -6.076 1.611 3.492 1.00 0.00 H new ATOM 0 HA THR A 18 -5.878 0.318 6.151 1.00 0.00 H new ATOM 0 HB THR A 18 -8.046 -0.237 4.177 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.333 1.967 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.390 -0.761 6.193 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.901 -1.731 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.988 -0.348 7.209 1.00 0.00 H new ATOM 283 N LEU A 19 -5.602 -2.051 5.128 1.00 0.00 N ATOM 284 CA LEU A 19 -5.052 -3.291 4.575 1.00 0.00 C ATOM 285 C LEU A 19 -5.743 -4.516 5.179 1.00 0.00 C ATOM 286 O LEU A 19 -5.857 -4.631 6.401 1.00 0.00 O ATOM 287 CB LEU A 19 -3.546 -3.366 4.845 1.00 0.00 C ATOM 288 CG LEU A 19 -2.658 -3.452 3.602 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.190 -3.345 3.992 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.919 -4.747 2.844 1.00 0.00 C ATOM 0 H LEU A 19 -5.937 -2.132 6.088 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.229 -3.288 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.253 -2.487 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.350 -4.236 5.471 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.903 -2.618 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.570 -3.408 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.014 -2.391 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.933 -4.160 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.278 -4.789 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.703 -5.597 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.963 -4.783 2.534 1.00 0.00 H new ATOM 302 N SER A 20 -6.194 -5.435 4.319 1.00 0.00 N ATOM 303 CA SER A 20 -6.867 -6.654 4.777 1.00 0.00 C ATOM 304 C SER A 20 -6.760 -7.778 3.742 1.00 0.00 C ATOM 305 O SER A 20 -6.532 -7.525 2.557 1.00 0.00 O ATOM 306 CB SER A 20 -8.344 -6.371 5.084 1.00 0.00 C ATOM 307 OG SER A 20 -8.838 -5.289 4.311 1.00 0.00 O ATOM 0 H SER A 20 -6.106 -5.358 3.306 1.00 0.00 H new ATOM 0 HA SER A 20 -6.366 -6.980 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.936 -7.264 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.459 -6.145 6.144 1.00 0.00 H new ATOM 0 HG SER A 20 -9.781 -5.135 4.529 1.00 0.00 H new ATOM 313 N GLY A 21 -6.931 -9.020 4.204 1.00 0.00 N ATOM 314 CA GLY A 21 -6.856 -10.174 3.315 1.00 0.00 C ATOM 315 C GLY A 21 -5.954 -11.283 3.848 1.00 0.00 C ATOM 316 O GLY A 21 -6.150 -12.453 3.519 1.00 0.00 O ATOM 0 H GLY A 21 -7.120 -9.247 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.859 -10.572 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.488 -9.851 2.341 1.00 0.00 H new ATOM 320 N GLN A 22 -4.963 -10.906 4.667 1.00 0.00 N ATOM 321 CA GLN A 22 -4.006 -11.855 5.261 1.00 0.00 C ATOM 322 C GLN A 22 -3.167 -12.593 4.200 1.00 0.00 C ATOM 323 O GLN A 22 -2.499 -13.583 4.510 1.00 0.00 O ATOM 324 CB GLN A 22 -4.732 -12.859 6.180 1.00 0.00 C ATOM 325 CG GLN A 22 -5.216 -14.129 5.491 1.00 0.00 C ATOM 326 CD GLN A 22 -4.699 -15.386 6.166 1.00 0.00 C ATOM 327 OE1 GLN A 22 -5.475 -16.257 6.562 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.379 -15.490 6.299 1.00 0.00 N ATOM 0 H GLN A 22 -4.800 -9.936 4.937 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.310 -11.268 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.060 -13.138 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.589 -12.360 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.306 -14.144 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.893 -14.120 4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.772 -14.745 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.975 -16.314 6.743 1.00 0.00 H new ATOM 337 N ALA A 23 -3.193 -12.101 2.960 1.00 0.00 N ATOM 338 CA ALA A 23 -2.432 -12.706 1.866 1.00 0.00 C ATOM 339 C ALA A 23 -2.473 -11.803 0.631 1.00 0.00 C ATOM 340 O ALA A 23 -1.446 -11.255 0.227 1.00 0.00 O ATOM 341 CB ALA A 23 -2.958 -14.100 1.541 1.00 0.00 C ATOM 0 H ALA A 23 -3.736 -11.281 2.688 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.394 -12.810 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.376 -14.528 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.870 -14.736 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.005 -14.034 1.244 1.00 0.00 H new ATOM 347 N PRO A 24 -3.669 -11.615 0.023 1.00 0.00 N ATOM 348 CA PRO A 24 -3.825 -10.752 -1.149 1.00 0.00 C ATOM 349 C PRO A 24 -3.795 -9.278 -0.763 1.00 0.00 C ATOM 350 O PRO A 24 -4.841 -8.653 -0.572 1.00 0.00 O ATOM 351 CB PRO A 24 -5.198 -11.147 -1.693 1.00 0.00 C ATOM 352 CG PRO A 24 -5.962 -11.580 -0.491 1.00 0.00 C ATOM 353 CD PRO A 24 -4.958 -12.209 0.440 1.00 0.00 C ATOM 0 HA PRO A 24 -3.022 -10.876 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.684 -10.309 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.119 -11.951 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.455 -10.732 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.742 -12.292 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.183 -11.984 1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.948 -13.295 0.343 1.00 0.00 H new ATOM 361 N CYS A 25 -2.585 -8.734 -0.634 1.00 0.00 N ATOM 362 CA CYS A 25 -2.408 -7.333 -0.255 1.00 0.00 C ATOM 363 C CYS A 25 -3.251 -6.428 -1.146 1.00 0.00 C ATOM 364 O CYS A 25 -2.992 -6.302 -2.341 1.00 0.00 O ATOM 365 CB CYS A 25 -0.933 -6.930 -0.340 1.00 0.00 C ATOM 366 SG CYS A 25 0.128 -7.761 0.863 1.00 0.00 S ATOM 0 H CYS A 25 -1.714 -9.242 -0.786 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.740 -7.217 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.565 -7.146 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.853 -5.852 -0.196 1.00 0.00 H new ATOM 0 HG CYS A 25 0.753 -8.744 0.285 1.00 0.00 H new ATOM 372 N VAL A 26 -4.274 -5.816 -0.558 1.00 0.00 N ATOM 373 CA VAL A 26 -5.166 -4.938 -1.302 1.00 0.00 C ATOM 374 C VAL A 26 -5.621 -3.757 -0.452 1.00 0.00 C ATOM 375 O VAL A 26 -5.870 -3.899 0.747 1.00 0.00 O ATOM 376 CB VAL A 26 -6.403 -5.709 -1.813 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.205 -6.284 -0.653 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.275 -4.820 -2.690 1.00 0.00 C ATOM 0 H VAL A 26 -4.505 -5.913 0.431 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.603 -4.559 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.051 -6.541 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.070 -6.822 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.578 -6.968 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.541 -5.474 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.139 -5.387 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.613 -3.959 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.698 -4.477 -3.549 1.00 0.00 H new ATOM 388 N LEU A 27 -5.731 -2.592 -1.084 1.00 0.00 N ATOM 389 CA LEU A 27 -6.163 -1.385 -0.390 1.00 0.00 C ATOM 390 C LEU A 27 -7.685 -1.325 -0.321 1.00 0.00 C ATOM 391 O LEU A 27 -8.340 -0.825 -1.236 1.00 0.00 O ATOM 392 CB LEU A 27 -5.615 -0.136 -1.088 1.00 0.00 C ATOM 393 CG LEU A 27 -4.652 0.704 -0.247 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.544 1.277 -1.116 1.00 0.00 C ATOM 395 CD2 LEU A 27 -5.405 1.815 0.474 1.00 0.00 C ATOM 0 H LEU A 27 -5.527 -2.459 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.769 -1.415 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.104 -0.443 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.454 0.492 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.195 0.059 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.869 1.871 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.988 0.463 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.979 1.908 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.705 2.403 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.891 2.460 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.159 1.378 1.129 1.00 0.00 H new ATOM 407 N SER A 28 -8.240 -1.846 0.772 1.00 0.00 N ATOM 408 CA SER A 28 -9.689 -1.859 0.970 1.00 0.00 C ATOM 409 C SER A 28 -10.267 -0.444 0.932 1.00 0.00 C ATOM 410 O SER A 28 -11.351 -0.224 0.388 1.00 0.00 O ATOM 411 CB SER A 28 -10.035 -2.533 2.300 1.00 0.00 C ATOM 412 OG SER A 28 -11.317 -3.133 2.252 1.00 0.00 O ATOM 0 H SER A 28 -7.708 -2.265 1.535 1.00 0.00 H new ATOM 0 HA SER A 28 -10.134 -2.428 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.285 -3.289 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.005 -1.796 3.103 1.00 0.00 H new ATOM 0 HG SER A 28 -11.512 -3.558 3.113 1.00 0.00 H new ATOM 418 N CYS A 29 -9.536 0.511 1.509 1.00 0.00 N ATOM 419 CA CYS A 29 -9.974 1.905 1.536 1.00 0.00 C ATOM 420 C CYS A 29 -8.830 2.834 1.937 1.00 0.00 C ATOM 421 O CYS A 29 -7.853 2.405 2.552 1.00 0.00 O ATOM 422 CB CYS A 29 -11.151 2.080 2.500 1.00 0.00 C ATOM 423 SG CYS A 29 -12.209 3.494 2.120 1.00 0.00 S ATOM 0 H CYS A 29 -8.638 0.343 1.963 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.297 2.171 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.756 1.173 2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.764 2.191 3.513 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.176 3.558 2.987 1.00 0.00 H new ATOM 429 N VAL A 30 -8.964 4.114 1.585 1.00 0.00 N ATOM 430 CA VAL A 30 -7.951 5.115 1.906 1.00 0.00 C ATOM 431 C VAL A 30 -8.511 6.157 2.873 1.00 0.00 C ATOM 432 O VAL A 30 -9.721 6.387 2.917 1.00 0.00 O ATOM 433 CB VAL A 30 -7.434 5.826 0.632 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.222 6.688 0.949 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.096 4.811 -0.458 1.00 0.00 C ATOM 0 H VAL A 30 -9.768 4.481 1.076 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.118 4.592 2.376 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.229 6.473 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.876 7.178 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.495 7.443 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.425 6.062 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.735 5.334 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.323 4.133 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.989 4.240 -0.713 1.00 0.00 H new ATOM 445 N MET A 31 -7.624 6.789 3.644 1.00 0.00 N ATOM 446 CA MET A 31 -8.033 7.806 4.602 1.00 0.00 C ATOM 447 C MET A 31 -8.034 9.177 3.948 1.00 0.00 C ATOM 448 O MET A 31 -6.991 9.816 3.797 1.00 0.00 O ATOM 449 CB MET A 31 -7.120 7.809 5.827 1.00 0.00 C ATOM 450 CG MET A 31 -7.016 6.464 6.531 1.00 0.00 C ATOM 451 SD MET A 31 -8.049 6.363 8.005 1.00 0.00 S ATOM 452 CE MET A 31 -6.980 7.120 9.224 1.00 0.00 C ATOM 0 H MET A 31 -6.620 6.611 3.620 1.00 0.00 H new ATOM 0 HA MET A 31 -9.044 7.569 4.932 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.122 8.125 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.486 8.551 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.303 5.673 5.838 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.977 6.284 6.808 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.482 7.131 10.192 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.055 6.549 9.301 1.00 0.00 H new ATOM 0 HE3 MET A 31 -6.751 8.142 8.923 1.00 0.00 H new ATOM 462 N ARG A 32 -9.221 9.607 3.555 1.00 0.00 N ATOM 463 CA ARG A 32 -9.414 10.895 2.903 1.00 0.00 C ATOM 464 C ARG A 32 -8.810 12.029 3.731 1.00 0.00 C ATOM 465 O ARG A 32 -9.111 12.175 4.915 1.00 0.00 O ATOM 466 CB ARG A 32 -10.907 11.150 2.679 1.00 0.00 C ATOM 467 CG ARG A 32 -11.495 10.353 1.524 1.00 0.00 C ATOM 468 CD ARG A 32 -11.048 10.902 0.176 1.00 0.00 C ATOM 469 NE ARG A 32 -12.174 11.413 -0.607 1.00 0.00 N ATOM 470 CZ ARG A 32 -12.621 12.672 -0.550 1.00 0.00 C ATOM 471 NH1 ARG A 32 -12.044 13.560 0.258 1.00 0.00 N ATOM 472 NH2 ARG A 32 -13.651 13.043 -1.302 1.00 0.00 N ATOM 0 H ARG A 32 -10.081 9.073 3.679 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.903 10.867 1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.450 10.905 3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.061 12.213 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.192 9.309 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.583 10.375 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.323 11.700 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.542 10.117 -0.386 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.649 10.767 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.254 13.282 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.392 14.518 0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.099 12.368 -1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.994 14.003 -1.260 1.00 0.00 H new ATOM 486 N GLY A 33 -7.950 12.818 3.093 1.00 0.00 N ATOM 487 CA GLY A 33 -7.302 13.925 3.778 1.00 0.00 C ATOM 488 C GLY A 33 -5.942 13.547 4.343 1.00 0.00 C ATOM 489 O GLY A 33 -5.489 14.126 5.331 1.00 0.00 O ATOM 0 H GLY A 33 -7.689 12.711 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.185 14.758 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.944 14.272 4.588 1.00 0.00 H new ATOM 493 N SER A 34 -5.294 12.569 3.709 1.00 0.00 N ATOM 494 CA SER A 34 -3.980 12.105 4.137 1.00 0.00 C ATOM 495 C SER A 34 -3.024 12.032 2.944 1.00 0.00 C ATOM 496 O SER A 34 -3.455 12.141 1.793 1.00 0.00 O ATOM 497 CB SER A 34 -4.106 10.732 4.809 1.00 0.00 C ATOM 498 OG SER A 34 -3.476 10.724 6.080 1.00 0.00 O ATOM 0 H SER A 34 -5.663 12.082 2.892 1.00 0.00 H new ATOM 0 HA SER A 34 -3.573 12.814 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.159 10.474 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.657 9.970 4.172 1.00 0.00 H new ATOM 0 HG SER A 34 -3.706 9.898 6.554 1.00 0.00 H new ATOM 504 N PRO A 35 -1.712 11.844 3.199 1.00 0.00 N ATOM 505 CA PRO A 35 -0.695 11.751 2.141 1.00 0.00 C ATOM 506 C PRO A 35 -1.083 10.786 1.023 1.00 0.00 C ATOM 507 O PRO A 35 -0.754 11.012 -0.141 1.00 0.00 O ATOM 508 CB PRO A 35 0.536 11.234 2.887 1.00 0.00 C ATOM 509 CG PRO A 35 0.364 11.731 4.277 1.00 0.00 C ATOM 510 CD PRO A 35 -1.117 11.703 4.545 1.00 0.00 C ATOM 0 HA PRO A 35 -0.546 12.707 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.590 10.146 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.457 11.610 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.901 11.101 4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.761 12.741 4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.421 10.772 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.421 12.515 5.206 1.00 0.00 H new ATOM 518 N ALA A 36 -1.785 9.713 1.387 1.00 0.00 N ATOM 519 CA ALA A 36 -2.226 8.713 0.416 1.00 0.00 C ATOM 520 C ALA A 36 -3.136 9.336 -0.642 1.00 0.00 C ATOM 521 O ALA A 36 -2.946 9.127 -1.842 1.00 0.00 O ATOM 522 CB ALA A 36 -2.943 7.570 1.119 1.00 0.00 C ATOM 0 H ALA A 36 -2.061 9.514 2.349 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.342 8.320 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.265 6.834 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.265 7.098 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.813 7.957 1.649 1.00 0.00 H new ATOM 528 N ASP A 37 -4.123 10.104 -0.180 1.00 0.00 N ATOM 529 CA ASP A 37 -5.071 10.769 -1.072 1.00 0.00 C ATOM 530 C ASP A 37 -4.373 11.822 -1.931 1.00 0.00 C ATOM 531 O ASP A 37 -4.755 12.051 -3.077 1.00 0.00 O ATOM 532 CB ASP A 37 -6.201 11.418 -0.265 1.00 0.00 C ATOM 533 CG ASP A 37 -7.510 11.501 -1.035 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.780 10.599 -1.858 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.268 12.468 -0.813 1.00 0.00 O ATOM 0 H ASP A 37 -4.286 10.281 0.811 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.494 10.013 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.360 10.848 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.897 12.421 0.033 1.00 0.00 H new ATOM 540 N PHE A 38 -3.346 12.459 -1.365 1.00 0.00 N ATOM 541 CA PHE A 38 -2.588 13.489 -2.076 1.00 0.00 C ATOM 542 C PHE A 38 -1.856 12.907 -3.290 1.00 0.00 C ATOM 543 O PHE A 38 -1.561 13.627 -4.244 1.00 0.00 O ATOM 544 CB PHE A 38 -1.580 14.160 -1.139 1.00 0.00 C ATOM 545 CG PHE A 38 -2.190 14.750 0.107 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.525 15.133 0.142 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.421 14.922 1.245 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.075 15.672 1.290 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.964 15.460 2.394 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.293 15.838 2.416 1.00 0.00 C ATOM 0 H PHE A 38 -3.020 12.279 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.301 14.234 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.827 13.427 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.063 14.949 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.140 15.008 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.381 14.631 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.115 15.963 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.351 15.585 3.275 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.720 16.263 3.313 1.00 0.00 H new ATOM 560 N VAL A 39 -1.569 11.604 -3.253 1.00 0.00 N ATOM 561 CA VAL A 39 -0.880 10.936 -4.354 1.00 0.00 C ATOM 562 C VAL A 39 -1.882 10.408 -5.383 1.00 0.00 C ATOM 563 O VAL A 39 -1.564 10.285 -6.568 1.00 0.00 O ATOM 564 CB VAL A 39 -0.016 9.758 -3.848 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.838 9.195 -4.975 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.854 10.186 -2.675 1.00 0.00 C ATOM 0 H VAL A 39 -1.804 10.992 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.232 11.678 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.686 8.972 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.438 8.367 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.192 8.839 -5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.496 9.975 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.452 9.339 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.514 10.995 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.220 10.531 -1.858 1.00 0.00 H new ATOM 576 N GLY A 40 -3.093 10.096 -4.924 1.00 0.00 N ATOM 577 CA GLY A 40 -4.122 9.586 -5.810 1.00 0.00 C ATOM 578 C GLY A 40 -4.456 8.130 -5.537 1.00 0.00 C ATOM 579 O GLY A 40 -4.811 7.388 -6.455 1.00 0.00 O ATOM 0 H GLY A 40 -3.378 10.189 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.023 10.189 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.792 9.692 -6.843 1.00 0.00 H new ATOM 583 N LEU A 41 -4.350 7.722 -4.271 1.00 0.00 N ATOM 584 CA LEU A 41 -4.648 6.354 -3.874 1.00 0.00 C ATOM 585 C LEU A 41 -6.128 6.047 -4.088 1.00 0.00 C ATOM 586 O LEU A 41 -6.997 6.805 -3.653 1.00 0.00 O ATOM 587 CB LEU A 41 -4.262 6.132 -2.408 1.00 0.00 C ATOM 588 CG LEU A 41 -3.621 4.774 -2.101 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.403 4.543 -2.985 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.241 4.689 -0.630 1.00 0.00 C ATOM 0 H LEU A 41 -4.058 8.327 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.063 5.676 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.570 6.919 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.155 6.242 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.349 3.992 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.962 3.574 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.705 4.562 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.669 5.328 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.787 3.719 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.530 5.480 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.134 4.807 -0.016 1.00 0.00 H new ATOM 602 N ARG A 42 -6.400 4.938 -4.766 1.00 0.00 N ATOM 603 CA ARG A 42 -7.762 4.517 -5.058 1.00 0.00 C ATOM 604 C ARG A 42 -7.965 3.061 -4.655 1.00 0.00 C ATOM 605 O ARG A 42 -7.331 2.156 -5.203 1.00 0.00 O ATOM 606 CB ARG A 42 -8.073 4.705 -6.546 1.00 0.00 C ATOM 607 CG ARG A 42 -7.955 6.148 -7.012 1.00 0.00 C ATOM 608 CD ARG A 42 -7.859 6.245 -8.528 1.00 0.00 C ATOM 609 NE ARG A 42 -7.452 7.579 -8.964 1.00 0.00 N ATOM 610 CZ ARG A 42 -8.275 8.628 -9.034 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.556 8.508 -8.683 1.00 0.00 N ATOM 612 NH2 ARG A 42 -7.816 9.804 -9.444 1.00 0.00 N ATOM 0 H ARG A 42 -5.684 4.308 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.447 5.137 -4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.394 4.085 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.083 4.348 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.820 6.714 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.074 6.605 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.143 5.509 -8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.824 5.998 -8.969 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.478 7.718 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.914 7.610 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.178 9.314 -8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.835 9.906 -9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.444 10.606 -9.498 1.00 0.00 H new ATOM 626 N ALA A 43 -8.844 2.855 -3.685 1.00 0.00 N ATOM 627 CA ALA A 43 -9.151 1.528 -3.168 1.00 0.00 C ATOM 628 C ALA A 43 -9.638 0.595 -4.268 1.00 0.00 C ATOM 629 O ALA A 43 -10.127 1.035 -5.310 1.00 0.00 O ATOM 630 CB ALA A 43 -10.186 1.618 -2.060 1.00 0.00 C ATOM 0 H ALA A 43 -9.366 3.605 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.229 1.111 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.405 0.618 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.798 2.234 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.099 2.066 -2.451 1.00 0.00 H new ATOM 636 N GLY A 44 -9.483 -0.698 -4.019 1.00 0.00 N ATOM 637 CA GLY A 44 -9.887 -1.709 -4.983 1.00 0.00 C ATOM 638 C GLY A 44 -8.716 -2.211 -5.815 1.00 0.00 C ATOM 639 O GLY A 44 -8.828 -3.231 -6.499 1.00 0.00 O ATOM 0 H GLY A 44 -9.081 -1.070 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.343 -2.548 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.649 -1.295 -5.644 1.00 0.00 H new ATOM 643 N ASP A 45 -7.588 -1.497 -5.753 1.00 0.00 N ATOM 644 CA ASP A 45 -6.396 -1.871 -6.497 1.00 0.00 C ATOM 645 C ASP A 45 -5.616 -2.955 -5.755 1.00 0.00 C ATOM 646 O ASP A 45 -5.476 -2.908 -4.529 1.00 0.00 O ATOM 647 CB ASP A 45 -5.508 -0.645 -6.728 1.00 0.00 C ATOM 648 CG ASP A 45 -5.887 0.117 -7.985 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.370 -0.227 -9.066 1.00 0.00 O ATOM 650 OD2 ASP A 45 -6.698 1.059 -7.884 1.00 0.00 O ATOM 0 H ASP A 45 -7.482 -0.653 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.705 -2.269 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.581 0.020 -5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.467 -0.962 -6.799 1.00 0.00 H new ATOM 655 N GLN A 46 -5.123 -3.934 -6.506 1.00 0.00 N ATOM 656 CA GLN A 46 -4.367 -5.044 -5.929 1.00 0.00 C ATOM 657 C GLN A 46 -2.897 -4.674 -5.726 1.00 0.00 C ATOM 658 O GLN A 46 -2.219 -4.246 -6.662 1.00 0.00 O ATOM 659 CB GLN A 46 -4.473 -6.285 -6.825 1.00 0.00 C ATOM 660 CG GLN A 46 -5.893 -6.595 -7.281 1.00 0.00 C ATOM 661 CD GLN A 46 -5.977 -7.869 -8.102 1.00 0.00 C ATOM 662 OE1 GLN A 46 -5.893 -8.973 -7.564 1.00 0.00 O ATOM 663 NE2 GLN A 46 -6.144 -7.722 -9.413 1.00 0.00 N ATOM 0 H GLN A 46 -5.233 -3.983 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.799 -5.266 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.842 -6.143 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.079 -7.146 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.539 -6.686 -6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.271 -5.761 -7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.209 -6.788 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.207 -8.543 -10.014 1.00 0.00 H new ATOM 672 N ILE A 47 -2.407 -4.857 -4.499 1.00 0.00 N ATOM 673 CA ILE A 47 -1.014 -4.556 -4.172 1.00 0.00 C ATOM 674 C ILE A 47 -0.116 -5.746 -4.507 1.00 0.00 C ATOM 675 O ILE A 47 -0.417 -6.885 -4.150 1.00 0.00 O ATOM 676 CB ILE A 47 -0.830 -4.201 -2.678 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.839 -3.134 -2.238 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.591 -3.724 -2.422 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.155 -3.179 -0.758 1.00 0.00 C ATOM 0 H ILE A 47 -2.955 -5.212 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.732 -3.690 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.011 -5.100 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.447 -2.148 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.762 -3.263 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.707 -3.477 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.294 -4.513 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.792 -2.839 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.875 -2.397 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.577 -4.152 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.241 -3.020 -0.186 1.00 0.00 H new ATOM 691 N LEU A 48 0.984 -5.470 -5.198 1.00 0.00 N ATOM 692 CA LEU A 48 1.928 -6.510 -5.589 1.00 0.00 C ATOM 693 C LEU A 48 3.220 -6.426 -4.772 1.00 0.00 C ATOM 694 O LEU A 48 3.780 -7.449 -4.376 1.00 0.00 O ATOM 695 CB LEU A 48 2.235 -6.407 -7.089 1.00 0.00 C ATOM 696 CG LEU A 48 1.013 -6.522 -8.008 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.372 -5.158 -8.231 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.398 -7.153 -9.341 1.00 0.00 C ATOM 0 H LEU A 48 1.245 -4.531 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 48 1.469 -7.477 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.726 -5.453 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.946 -7.190 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 48 0.283 -7.167 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.493 -5.265 -8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.053 -4.745 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.096 -4.487 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.516 -7.225 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.150 -6.536 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.803 -8.150 -9.168 1.00 0.00 H new ATOM 710 N ALA A 49 3.682 -5.201 -4.523 1.00 0.00 N ATOM 711 CA ALA A 49 4.904 -4.976 -3.751 1.00 0.00 C ATOM 712 C ALA A 49 4.681 -3.929 -2.661 1.00 0.00 C ATOM 713 O ALA A 49 3.989 -2.932 -2.878 1.00 0.00 O ATOM 714 CB ALA A 49 6.038 -4.544 -4.671 1.00 0.00 C ATOM 0 H ALA A 49 3.227 -4.347 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 49 5.177 -5.915 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.941 -4.380 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.223 -5.323 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.763 -3.619 -5.179 1.00 0.00 H new ATOM 720 N VAL A 50 5.280 -4.158 -1.494 1.00 0.00 N ATOM 721 CA VAL A 50 5.168 -3.234 -0.368 1.00 0.00 C ATOM 722 C VAL A 50 6.541 -2.992 0.241 1.00 0.00 C ATOM 723 O VAL A 50 7.129 -3.897 0.832 1.00 0.00 O ATOM 724 CB VAL A 50 4.215 -3.760 0.732 1.00 0.00 C ATOM 725 CG1 VAL A 50 3.915 -2.665 1.744 1.00 0.00 C ATOM 726 CG2 VAL A 50 2.927 -4.297 0.122 1.00 0.00 C ATOM 0 H VAL A 50 5.851 -4.981 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 50 4.753 -2.304 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 50 4.711 -4.581 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.243 -3.052 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.844 -2.335 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.442 -1.823 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.273 -4.661 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.424 -3.500 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.161 -5.115 -0.560 1.00 0.00 H new ATOM 736 N ASN A 51 7.061 -1.776 0.067 1.00 0.00 N ATOM 737 CA ASN A 51 8.383 -1.424 0.575 1.00 0.00 C ATOM 738 C ASN A 51 9.457 -2.019 -0.339 1.00 0.00 C ATOM 739 O ASN A 51 10.541 -2.390 0.110 1.00 0.00 O ATOM 740 CB ASN A 51 8.562 -1.915 2.020 1.00 0.00 C ATOM 741 CG ASN A 51 9.234 -0.885 2.909 1.00 0.00 C ATOM 742 OD1 ASN A 51 8.781 0.256 3.007 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.318 -1.283 3.567 1.00 0.00 N ATOM 0 H ASN A 51 6.584 -1.019 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 51 8.483 -0.339 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.587 -2.168 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.155 -2.830 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.808 -0.634 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.660 -2.238 3.457 1.00 0.00 H new ATOM 750 N GLU A 52 9.121 -2.104 -1.636 1.00 0.00 N ATOM 751 CA GLU A 52 10.009 -2.643 -2.669 1.00 0.00 C ATOM 752 C GLU A 52 10.040 -4.183 -2.676 1.00 0.00 C ATOM 753 O GLU A 52 10.726 -4.784 -3.508 1.00 0.00 O ATOM 754 CB GLU A 52 11.430 -2.055 -2.536 1.00 0.00 C ATOM 755 CG GLU A 52 12.455 -2.968 -1.862 1.00 0.00 C ATOM 756 CD GLU A 52 13.856 -2.779 -2.415 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.061 -3.032 -3.623 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.749 -2.374 -1.642 1.00 0.00 O ATOM 0 H GLU A 52 8.217 -1.797 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 52 9.600 -2.336 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.794 -1.800 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.369 -1.125 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.462 -2.772 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.153 -4.007 -1.994 1.00 0.00 H new ATOM 765 N ILE A 53 9.304 -4.819 -1.761 1.00 0.00 N ATOM 766 CA ILE A 53 9.272 -6.280 -1.687 1.00 0.00 C ATOM 767 C ILE A 53 7.880 -6.835 -2.003 1.00 0.00 C ATOM 768 O ILE A 53 6.885 -6.437 -1.394 1.00 0.00 O ATOM 769 CB ILE A 53 9.733 -6.784 -0.301 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.011 -6.027 0.818 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.242 -6.628 -0.163 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.398 -6.483 2.206 1.00 0.00 C ATOM 0 H ILE A 53 8.726 -4.348 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 53 9.967 -6.646 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 53 9.480 -7.841 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.225 -4.963 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.935 -6.148 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.557 -6.986 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.740 -7.209 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.510 -5.577 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.847 -5.903 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.158 -7.540 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.468 -6.336 2.352 1.00 0.00 H new ATOM 784 N ASN A 54 7.828 -7.756 -2.968 1.00 0.00 N ATOM 785 CA ASN A 54 6.580 -8.381 -3.398 1.00 0.00 C ATOM 786 C ASN A 54 5.985 -9.259 -2.298 1.00 0.00 C ATOM 787 O ASN A 54 6.701 -10.007 -1.630 1.00 0.00 O ATOM 788 CB ASN A 54 6.819 -9.215 -4.659 1.00 0.00 C ATOM 789 CG ASN A 54 6.165 -8.612 -5.887 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.638 -7.616 -6.432 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.066 -9.214 -6.330 1.00 0.00 N ATOM 0 H ASN A 54 8.651 -8.088 -3.472 1.00 0.00 H new ATOM 0 HA ASN A 54 5.866 -7.587 -3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.891 -9.308 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.433 -10.222 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.582 -8.852 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.707 -10.038 -5.848 1.00 0.00 H new ATOM 798 N VAL A 55 4.672 -9.154 -2.120 1.00 0.00 N ATOM 799 CA VAL A 55 3.967 -9.926 -1.095 1.00 0.00 C ATOM 800 C VAL A 55 2.539 -10.277 -1.532 1.00 0.00 C ATOM 801 O VAL A 55 1.560 -9.837 -0.923 1.00 0.00 O ATOM 802 CB VAL A 55 3.914 -9.150 0.237 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.276 -9.158 0.917 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.437 -7.722 0.004 1.00 0.00 C ATOM 0 H VAL A 55 4.071 -8.542 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 55 4.525 -10.851 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 55 3.202 -9.646 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.218 -8.606 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.575 -10.186 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.011 -8.688 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.406 -7.189 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.124 -7.215 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.440 -7.739 -0.436 1.00 0.00 H new ATOM 814 N LYS A 56 2.430 -11.071 -2.594 1.00 0.00 N ATOM 815 CA LYS A 56 1.125 -11.482 -3.123 1.00 0.00 C ATOM 816 C LYS A 56 0.402 -12.455 -2.185 1.00 0.00 C ATOM 817 O LYS A 56 -0.829 -12.460 -2.125 1.00 0.00 O ATOM 818 CB LYS A 56 1.282 -12.117 -4.509 1.00 0.00 C ATOM 819 CG LYS A 56 1.648 -11.124 -5.604 1.00 0.00 C ATOM 820 CD LYS A 56 1.770 -11.808 -6.959 1.00 0.00 C ATOM 821 CE LYS A 56 2.817 -11.135 -7.832 1.00 0.00 C ATOM 822 NZ LYS A 56 2.661 -11.490 -9.272 1.00 0.00 N ATOM 0 H LYS A 56 3.228 -11.445 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 56 0.516 -10.582 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.051 -12.888 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.350 -12.613 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.890 -10.343 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.591 -10.637 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.033 -12.856 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.805 -11.788 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.744 -10.054 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.811 -11.426 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.395 -11.009 -9.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.756 -12.519 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.722 -11.190 -9.604 1.00 0.00 H new ATOM 836 N LYS A 57 1.164 -13.277 -1.460 1.00 0.00 N ATOM 837 CA LYS A 57 0.576 -14.249 -0.535 1.00 0.00 C ATOM 838 C LYS A 57 1.352 -14.297 0.786 1.00 0.00 C ATOM 839 O LYS A 57 1.505 -15.362 1.388 1.00 0.00 O ATOM 840 CB LYS A 57 0.546 -15.641 -1.175 1.00 0.00 C ATOM 841 CG LYS A 57 -0.189 -15.685 -2.507 1.00 0.00 C ATOM 842 CD LYS A 57 -0.702 -17.082 -2.824 1.00 0.00 C ATOM 843 CE LYS A 57 -1.930 -17.431 -1.997 1.00 0.00 C ATOM 844 NZ LYS A 57 -1.869 -18.817 -1.452 1.00 0.00 N ATOM 0 H LYS A 57 2.183 -13.290 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.444 -13.932 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.569 -15.985 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.072 -16.339 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.026 -14.987 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.479 -15.354 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.946 -17.148 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.085 -17.811 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.024 -16.723 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.823 -17.324 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.727 -19.009 -0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.806 -19.496 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.032 -18.914 -0.842 1.00 0.00 H new ATOM 858 N ALA A 58 1.845 -13.138 1.227 1.00 0.00 N ATOM 859 CA ALA A 58 2.607 -13.048 2.464 1.00 0.00 C ATOM 860 C ALA A 58 1.693 -12.860 3.673 1.00 0.00 C ATOM 861 O ALA A 58 0.483 -12.684 3.529 1.00 0.00 O ATOM 862 CB ALA A 58 3.608 -11.905 2.380 1.00 0.00 C ATOM 0 H ALA A 58 1.727 -12.249 0.741 1.00 0.00 H new ATOM 0 HA ALA A 58 3.144 -13.988 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.173 -11.847 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.293 -12.081 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.077 -10.967 2.219 1.00 0.00 H new ATOM 868 N SER A 59 2.288 -12.886 4.863 1.00 0.00 N ATOM 869 CA SER A 59 1.538 -12.709 6.101 1.00 0.00 C ATOM 870 C SER A 59 1.292 -11.234 6.361 1.00 0.00 C ATOM 871 O SER A 59 2.186 -10.400 6.219 1.00 0.00 O ATOM 872 CB SER A 59 2.272 -13.341 7.284 1.00 0.00 C ATOM 873 OG SER A 59 3.669 -13.426 7.040 1.00 0.00 O ATOM 0 H SER A 59 3.289 -13.028 4.995 1.00 0.00 H new ATOM 0 HA SER A 59 0.578 -13.213 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.093 -12.751 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.872 -14.338 7.472 1.00 0.00 H new ATOM 0 HG SER A 59 4.159 -13.147 7.842 1.00 0.00 H new ATOM 879 N HIS A 60 0.059 -10.933 6.731 1.00 0.00 N ATOM 880 CA HIS A 60 -0.360 -9.568 7.004 1.00 0.00 C ATOM 881 C HIS A 60 0.525 -8.893 8.043 1.00 0.00 C ATOM 882 O HIS A 60 0.920 -7.740 7.873 1.00 0.00 O ATOM 883 CB HIS A 60 -1.810 -9.570 7.461 1.00 0.00 C ATOM 884 CG HIS A 60 -2.584 -8.387 6.978 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.054 -8.271 5.689 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.965 -7.260 7.621 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.694 -7.124 5.559 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.656 -6.490 6.719 1.00 0.00 N ATOM 0 H HIS A 60 -0.679 -11.627 6.851 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.262 -8.993 6.083 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.294 -10.481 7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.840 -9.595 8.550 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.763 -7.012 8.653 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.168 -6.764 4.658 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.072 -5.579 6.912 1.00 0.00 H new ATOM 897 N GLU A 61 0.834 -9.611 9.117 1.00 0.00 N ATOM 898 CA GLU A 61 1.676 -9.066 10.177 1.00 0.00 C ATOM 899 C GLU A 61 3.061 -8.719 9.648 1.00 0.00 C ATOM 900 O GLU A 61 3.605 -7.660 9.961 1.00 0.00 O ATOM 901 CB GLU A 61 1.786 -10.051 11.342 1.00 0.00 C ATOM 902 CG GLU A 61 0.674 -9.901 12.367 1.00 0.00 C ATOM 903 CD GLU A 61 1.134 -10.201 13.782 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.984 -9.447 14.304 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.643 -11.187 14.369 1.00 0.00 O ATOM 0 H GLU A 61 0.516 -10.567 9.277 1.00 0.00 H new ATOM 0 HA GLU A 61 1.207 -8.151 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.774 -11.068 10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.747 -9.911 11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.282 -8.885 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.146 -10.570 12.107 1.00 0.00 H new ATOM 912 N ASP A 62 3.623 -9.610 8.836 1.00 0.00 N ATOM 913 CA ASP A 62 4.940 -9.383 8.255 1.00 0.00 C ATOM 914 C ASP A 62 4.903 -8.201 7.294 1.00 0.00 C ATOM 915 O ASP A 62 5.815 -7.373 7.279 1.00 0.00 O ATOM 916 CB ASP A 62 5.433 -10.635 7.530 1.00 0.00 C ATOM 917 CG ASP A 62 6.265 -11.529 8.428 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.489 -11.306 8.517 1.00 0.00 O ATOM 919 OD2 ASP A 62 5.690 -12.450 9.044 1.00 0.00 O ATOM 0 H ASP A 62 3.188 -10.492 8.567 1.00 0.00 H new ATOM 0 HA ASP A 62 5.634 -9.155 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.577 -11.196 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.026 -10.341 6.664 1.00 0.00 H new ATOM 924 N VAL A 63 3.837 -8.122 6.500 1.00 0.00 N ATOM 925 CA VAL A 63 3.679 -7.034 5.541 1.00 0.00 C ATOM 926 C VAL A 63 3.527 -5.693 6.255 1.00 0.00 C ATOM 927 O VAL A 63 4.133 -4.699 5.855 1.00 0.00 O ATOM 928 CB VAL A 63 2.469 -7.259 4.608 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.362 -6.132 3.590 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.570 -8.608 3.907 1.00 0.00 C ATOM 0 H VAL A 63 3.072 -8.797 6.503 1.00 0.00 H new ATOM 0 HA VAL A 63 4.583 -7.019 4.933 1.00 0.00 H new ATOM 0 HB VAL A 63 1.565 -7.260 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.504 -6.308 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.235 -5.183 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.270 -6.098 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.707 -8.745 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.483 -8.642 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.592 -9.404 4.651 1.00 0.00 H new ATOM 940 N VAL A 64 2.737 -5.676 7.328 1.00 0.00 N ATOM 941 CA VAL A 64 2.537 -4.464 8.106 1.00 0.00 C ATOM 942 C VAL A 64 3.841 -4.063 8.774 1.00 0.00 C ATOM 943 O VAL A 64 4.176 -2.881 8.849 1.00 0.00 O ATOM 944 CB VAL A 64 1.437 -4.632 9.178 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.236 -3.333 9.952 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.129 -5.085 8.542 1.00 0.00 C ATOM 0 H VAL A 64 2.228 -6.489 7.674 1.00 0.00 H new ATOM 0 HA VAL A 64 2.210 -3.684 7.418 1.00 0.00 H new ATOM 0 HB VAL A 64 1.760 -5.402 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.457 -3.473 10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.168 -3.055 10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.939 -2.542 9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.632 -5.197 9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.199 -4.342 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.280 -6.041 8.040 1.00 0.00 H new ATOM 956 N LYS A 65 4.577 -5.067 9.254 1.00 0.00 N ATOM 957 CA LYS A 65 5.851 -4.830 9.915 1.00 0.00 C ATOM 958 C LYS A 65 6.814 -4.083 8.998 1.00 0.00 C ATOM 959 O LYS A 65 7.540 -3.191 9.439 1.00 0.00 O ATOM 960 CB LYS A 65 6.478 -6.155 10.367 1.00 0.00 C ATOM 961 CG LYS A 65 6.841 -6.194 11.845 1.00 0.00 C ATOM 962 CD LYS A 65 6.481 -7.535 12.471 1.00 0.00 C ATOM 963 CE LYS A 65 7.348 -7.839 13.684 1.00 0.00 C ATOM 964 NZ LYS A 65 8.689 -8.366 13.298 1.00 0.00 N ATOM 0 H LYS A 65 4.309 -6.049 9.195 1.00 0.00 H new ATOM 0 HA LYS A 65 5.662 -4.211 10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.783 -6.966 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.376 -6.340 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.909 -6.010 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.320 -5.394 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.432 -7.529 12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.600 -8.326 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.472 -6.933 14.277 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.842 -8.567 14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.246 -8.559 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.573 -9.245 12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.184 -7.661 12.715 1.00 0.00 H new ATOM 978 N LEU A 66 6.811 -4.450 7.717 1.00 0.00 N ATOM 979 CA LEU A 66 7.681 -3.810 6.733 1.00 0.00 C ATOM 980 C LEU A 66 7.262 -2.360 6.502 1.00 0.00 C ATOM 981 O LEU A 66 8.109 -1.469 6.416 1.00 0.00 O ATOM 982 CB LEU A 66 7.661 -4.588 5.415 1.00 0.00 C ATOM 983 CG LEU A 66 8.109 -6.050 5.524 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.364 -6.920 4.521 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.616 -6.161 5.328 1.00 0.00 C ATOM 0 H LEU A 66 6.216 -5.186 7.337 1.00 0.00 H new ATOM 0 HA LEU A 66 8.699 -3.814 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.650 -4.562 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.305 -4.078 4.699 1.00 0.00 H new ATOM 0 HG LEU A 66 7.867 -6.410 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.698 -7.953 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.293 -6.865 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.567 -6.565 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.917 -7.205 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.884 -5.781 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.126 -5.576 6.093 1.00 0.00 H new ATOM 997 N ILE A 67 5.952 -2.132 6.415 1.00 0.00 N ATOM 998 CA ILE A 67 5.418 -0.787 6.214 1.00 0.00 C ATOM 999 C ILE A 67 5.703 0.094 7.427 1.00 0.00 C ATOM 1000 O ILE A 67 6.044 1.271 7.287 1.00 0.00 O ATOM 1001 CB ILE A 67 3.893 -0.813 5.955 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.560 -1.743 4.786 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.368 0.594 5.684 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.103 -2.153 4.723 1.00 0.00 C ATOM 0 H ILE A 67 5.242 -2.861 6.481 1.00 0.00 H new ATOM 0 HA ILE A 67 5.915 -0.374 5.336 1.00 0.00 H new ATOM 0 HB ILE A 67 3.403 -1.196 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.829 -1.248 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.176 -2.639 4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.294 0.553 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.568 1.229 6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.867 1.006 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.947 -2.811 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.833 -2.678 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.480 -1.265 4.616 1.00 0.00 H new ATOM 1016 N GLY A 68 5.570 -0.487 8.620 1.00 0.00 N ATOM 1017 CA GLY A 68 5.823 0.254 9.844 1.00 0.00 C ATOM 1018 C GLY A 68 7.296 0.276 10.236 1.00 0.00 C ATOM 1019 O GLY A 68 7.645 0.770 11.311 1.00 0.00 O ATOM 0 H GLY A 68 5.291 -1.458 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.471 1.278 9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.244 -0.187 10.655 1.00 0.00 H new ATOM 1023 N LYS A 69 8.160 -0.257 9.367 1.00 0.00 N ATOM 1024 CA LYS A 69 9.596 -0.292 9.629 1.00 0.00 C ATOM 1025 C LYS A 69 10.294 0.960 9.090 1.00 0.00 C ATOM 1026 O LYS A 69 11.278 1.425 9.670 1.00 0.00 O ATOM 1027 CB LYS A 69 10.215 -1.542 8.999 1.00 0.00 C ATOM 1028 CG LYS A 69 11.708 -1.682 9.255 1.00 0.00 C ATOM 1029 CD LYS A 69 11.992 -2.694 10.354 1.00 0.00 C ATOM 1030 CE LYS A 69 12.507 -2.023 11.618 1.00 0.00 C ATOM 1031 NZ LYS A 69 11.448 -1.226 12.304 1.00 0.00 N ATOM 0 H LYS A 69 7.886 -0.670 8.475 1.00 0.00 H new ATOM 0 HA LYS A 69 9.737 -0.320 10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.705 -2.424 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.041 -1.520 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.208 -1.990 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.123 -0.714 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.082 -3.249 10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.727 -3.418 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.888 -2.782 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.344 -1.372 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.630 -1.215 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.457 -0.252 11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.518 -1.655 12.122 1.00 0.00 H new ATOM 1045 N CYS A 70 9.781 1.499 7.985 1.00 0.00 N ATOM 1046 CA CYS A 70 10.358 2.693 7.371 1.00 0.00 C ATOM 1047 C CYS A 70 10.221 3.900 8.298 1.00 0.00 C ATOM 1048 O CYS A 70 11.218 4.491 8.715 1.00 0.00 O ATOM 1049 CB CYS A 70 9.686 2.978 6.023 1.00 0.00 C ATOM 1050 SG CYS A 70 10.824 3.557 4.744 1.00 0.00 S ATOM 0 H CYS A 70 8.966 1.127 7.497 1.00 0.00 H new ATOM 0 HA CYS A 70 11.419 2.510 7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.195 2.070 5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.907 3.726 6.168 1.00 0.00 H new ATOM 0 HG CYS A 70 10.157 4.188 3.823 1.00 0.00 H new ATOM 1056 N SER A 71 8.979 4.257 8.612 1.00 0.00 N ATOM 1057 CA SER A 71 8.690 5.393 9.490 1.00 0.00 C ATOM 1058 C SER A 71 9.051 6.711 8.809 1.00 0.00 C ATOM 1059 O SER A 71 9.502 7.659 9.458 1.00 0.00 O ATOM 1060 CB SER A 71 9.445 5.253 10.818 1.00 0.00 C ATOM 1061 OG SER A 71 8.829 6.023 11.839 1.00 0.00 O ATOM 0 H SER A 71 8.149 3.773 8.270 1.00 0.00 H new ATOM 0 HA SER A 71 7.620 5.397 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.473 4.205 11.115 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.478 5.575 10.688 1.00 0.00 H new ATOM 0 HG SER A 71 8.781 6.960 11.558 1.00 0.00 H new ATOM 1067 N GLY A 72 8.848 6.763 7.496 1.00 0.00 N ATOM 1068 CA GLY A 72 9.153 7.963 6.735 1.00 0.00 C ATOM 1069 C GLY A 72 8.423 8.003 5.408 1.00 0.00 C ATOM 1070 O GLY A 72 7.830 9.022 5.047 1.00 0.00 O ATOM 0 H GLY A 72 8.476 5.991 6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.884 8.841 7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.227 8.015 6.558 1.00 0.00 H new ATOM 1074 N VAL A 73 8.465 6.888 4.676 1.00 0.00 N ATOM 1075 CA VAL A 73 7.803 6.798 3.381 1.00 0.00 C ATOM 1076 C VAL A 73 7.687 5.348 2.916 1.00 0.00 C ATOM 1077 O VAL A 73 8.626 4.562 3.050 1.00 0.00 O ATOM 1078 CB VAL A 73 8.544 7.633 2.313 1.00 0.00 C ATOM 1079 CG1 VAL A 73 10.001 7.204 2.191 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.837 7.543 0.966 1.00 0.00 C ATOM 0 H VAL A 73 8.951 6.038 4.961 1.00 0.00 H new ATOM 0 HA VAL A 73 6.799 7.204 3.506 1.00 0.00 H new ATOM 0 HB VAL A 73 8.529 8.674 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.496 7.809 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.502 7.342 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.048 6.153 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.378 8.139 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.807 6.504 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.820 7.922 1.063 1.00 0.00 H new ATOM 1090 N LEU A 74 6.523 5.004 2.366 1.00 0.00 N ATOM 1091 CA LEU A 74 6.274 3.653 1.873 1.00 0.00 C ATOM 1092 C LEU A 74 6.096 3.638 0.358 1.00 0.00 C ATOM 1093 O LEU A 74 5.486 4.542 -0.216 1.00 0.00 O ATOM 1094 CB LEU A 74 5.032 3.056 2.543 1.00 0.00 C ATOM 1095 CG LEU A 74 4.640 1.661 2.047 1.00 0.00 C ATOM 1096 CD1 LEU A 74 5.447 0.590 2.764 1.00 0.00 C ATOM 1097 CD2 LEU A 74 3.146 1.427 2.230 1.00 0.00 C ATOM 0 H LEU A 74 5.737 5.644 2.251 1.00 0.00 H new ATOM 0 HA LEU A 74 7.145 3.047 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.205 3.008 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.191 3.732 2.385 1.00 0.00 H new ATOM 0 HG LEU A 74 4.866 1.599 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.153 -0.393 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.509 0.746 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.258 0.649 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.887 0.431 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.891 1.510 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.589 2.173 1.663 1.00 0.00 H new ATOM 1109 N HIS A 75 6.622 2.594 -0.279 1.00 0.00 N ATOM 1110 CA HIS A 75 6.516 2.437 -1.726 1.00 0.00 C ATOM 1111 C HIS A 75 5.647 1.229 -2.064 1.00 0.00 C ATOM 1112 O HIS A 75 6.122 0.091 -2.082 1.00 0.00 O ATOM 1113 CB HIS A 75 7.907 2.283 -2.350 1.00 0.00 C ATOM 1114 CG HIS A 75 8.725 3.537 -2.291 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.523 3.864 -1.214 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.858 4.552 -3.177 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.111 5.024 -1.443 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.724 5.463 -2.627 1.00 0.00 N ATOM 0 H HIS A 75 7.128 1.841 0.188 1.00 0.00 H new ATOM 0 HA HIS A 75 6.048 3.330 -2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.442 1.484 -1.836 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.799 1.976 -3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.372 4.630 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.793 5.529 -0.775 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.021 6.337 -3.062 1.00 0.00 H new ATOM 1127 N MET A 76 4.363 1.486 -2.315 1.00 0.00 N ATOM 1128 CA MET A 76 3.414 0.428 -2.638 1.00 0.00 C ATOM 1129 C MET A 76 3.209 0.315 -4.145 1.00 0.00 C ATOM 1130 O MET A 76 2.811 1.279 -4.803 1.00 0.00 O ATOM 1131 CB MET A 76 2.072 0.693 -1.947 1.00 0.00 C ATOM 1132 CG MET A 76 1.389 -0.563 -1.433 1.00 0.00 C ATOM 1133 SD MET A 76 -0.169 -0.214 -0.599 1.00 0.00 S ATOM 1134 CE MET A 76 0.212 -0.747 1.069 1.00 0.00 C ATOM 0 H MET A 76 3.958 2.422 -2.300 1.00 0.00 H new ATOM 0 HA MET A 76 3.824 -0.515 -2.277 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.232 1.376 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.406 1.197 -2.648 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.206 -1.240 -2.268 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.058 -1.079 -0.744 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.697 -1.101 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.943 -1.554 1.035 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.622 0.090 1.634 1.00 0.00 H new ATOM 1144 N VAL A 77 3.476 -0.871 -4.684 1.00 0.00 N ATOM 1145 CA VAL A 77 3.316 -1.120 -6.111 1.00 0.00 C ATOM 1146 C VAL A 77 2.025 -1.895 -6.377 1.00 0.00 C ATOM 1147 O VAL A 77 1.991 -3.120 -6.257 1.00 0.00 O ATOM 1148 CB VAL A 77 4.514 -1.904 -6.686 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.435 -1.973 -8.206 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.828 -1.275 -6.246 1.00 0.00 C ATOM 0 H VAL A 77 3.805 -1.676 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 77 3.268 -0.151 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 77 4.473 -2.921 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.290 -2.530 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.513 -2.475 -8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.446 -0.964 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.660 -1.843 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.876 -0.246 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.890 -1.285 -5.158 1.00 0.00 H new ATOM 1160 N ILE A 78 0.966 -1.166 -6.727 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.336 -1.773 -7.002 1.00 0.00 C ATOM 1162 C ILE A 78 -0.583 -1.916 -8.504 1.00 0.00 C ATOM 1163 O ILE A 78 0.171 -1.389 -9.324 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.483 -0.954 -6.369 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.452 0.497 -6.867 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.396 -1.003 -4.850 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.824 1.074 -7.140 1.00 0.00 C ATOM 0 H ILE A 78 0.984 -0.151 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.320 -2.766 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.431 -1.397 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.948 1.116 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.858 0.546 -7.780 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.211 -0.421 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.472 -2.037 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.442 -0.586 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.724 2.102 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.324 0.479 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.415 1.058 -6.224 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.649 -2.638 -8.855 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.008 -2.862 -10.255 1.00 0.00 C ATOM 1181 C ALA A 79 -3.484 -2.562 -10.502 1.00 0.00 C ATOM 1182 O ALA A 79 -4.346 -2.936 -9.705 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.692 -4.298 -10.652 1.00 0.00 C ATOM 0 H ALA A 79 -2.280 -3.079 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.418 -2.181 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.963 -4.455 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.626 -4.485 -10.522 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.260 -4.983 -10.023 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.764 -1.883 -11.619 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.135 -1.528 -11.984 1.00 0.00 C ATOM 1191 C GLU A 80 -5.990 -2.773 -12.186 1.00 0.00 C ATOM 1192 O GLU A 80 -5.784 -3.532 -13.137 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.155 -0.679 -13.258 1.00 0.00 C ATOM 1194 CG GLU A 80 -4.422 0.649 -13.124 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.209 1.697 -12.352 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -6.458 1.672 -12.406 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -4.570 2.547 -11.693 1.00 0.00 O ATOM 0 H GLU A 80 -3.058 -1.569 -12.285 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.553 -0.947 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.707 -1.250 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.190 -0.485 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.468 0.480 -12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.197 1.034 -14.119 1.00 0.00 H new ATOM 1204 N GLY A 81 -6.951 -2.975 -11.290 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.829 -4.128 -11.385 1.00 0.00 C ATOM 1206 C GLY A 81 -9.071 -3.984 -10.527 1.00 0.00 C ATOM 1207 O GLY A 81 -9.379 -4.864 -9.720 1.00 0.00 O ATOM 0 H GLY A 81 -7.138 -2.360 -10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.124 -4.271 -12.424 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.284 -5.022 -11.082 1.00 0.00 H new ATOM 1211 N VAL A 82 -9.784 -2.871 -10.698 1.00 0.00 N ATOM 1212 CA VAL A 82 -10.996 -2.603 -9.935 1.00 0.00 C ATOM 1213 C VAL A 82 -12.108 -3.588 -10.291 1.00 0.00 C ATOM 1214 O VAL A 82 -12.743 -3.471 -11.342 1.00 0.00 O ATOM 1215 CB VAL A 82 -11.499 -1.161 -10.159 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -10.658 -0.177 -9.362 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -11.504 -0.801 -11.643 1.00 0.00 C ATOM 0 H VAL A 82 -9.538 -2.138 -11.363 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.737 -2.726 -8.883 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.528 -1.101 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.025 0.835 -9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.727 -0.416 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.618 -0.244 -9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.863 0.220 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.492 -0.881 -12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.160 -1.485 -12.181 1.00 0.00 H new ATOM 1227 N GLY A 83 -12.337 -4.559 -9.406 1.00 0.00 N ATOM 1228 CA GLY A 83 -13.368 -5.556 -9.635 1.00 0.00 C ATOM 1229 C GLY A 83 -12.903 -6.675 -10.546 1.00 0.00 C ATOM 1230 O GLY A 83 -13.219 -6.630 -11.753 1.00 0.00 O ATOM 1231 OXT GLY A 83 -12.220 -7.597 -10.053 1.00 0.00 O ATOM 0 H GLY A 83 -11.823 -4.671 -8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.681 -5.976 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.243 -5.075 -10.073 1.00 0.00 H new TER 1235 GLY A 83