USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 142:sc= -1.45 (180deg=-3.46!) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 1.05 (180deg=1.03) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 14 THR OG1 : rot 106:sc= -3.73! USER MOD Single : A 15 ASN : amide:sc= -2.65 K(o=-2.7,f=-0.44) USER MOD Single : A 19 GLN : amide:sc= -0.0575 X(o=-0.058,f=-0.058) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00345 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -1.32 (180deg=-2.39!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -150:sc= -1.28 USER MOD Single : A 29 THR OG1 : rot 166:sc= -0.159 USER MOD Single : A 34 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.4!) USER MOD Single : A 36 SER OG : rot -120:sc= -0.0133 USER MOD Single : A 42 ASN : amide:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.35! C(o=-5.4!,f=-12!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 164:sc= -0.33 (180deg=-1.04) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.505 K(o=-0.5,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.9!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 10.936 11.185 -4.967 1.00 0.00 N ATOM 24 CA GLU A 7 9.735 10.476 -4.543 1.00 0.00 C ATOM 25 C GLU A 7 9.741 10.251 -3.034 1.00 0.00 C ATOM 26 O GLU A 7 10.653 10.693 -2.335 1.00 0.00 O ATOM 27 CB GLU A 7 9.625 9.135 -5.273 1.00 0.00 C ATOM 28 CG GLU A 7 10.944 8.390 -5.384 1.00 0.00 C ATOM 29 CD GLU A 7 11.747 8.805 -6.601 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.133 9.052 -7.661 1.00 0.00 O ATOM 31 OE2 GLU A 7 12.990 8.883 -6.495 1.00 0.00 O ATOM 0 HA GLU A 7 8.871 11.090 -4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.905 8.505 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.230 9.308 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.535 8.568 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.749 7.319 -5.430 1.00 0.00 H new ATOM 38 N LYS A 8 8.716 9.565 -2.535 1.00 0.00 N ATOM 39 CA LYS A 8 8.607 9.287 -1.109 1.00 0.00 C ATOM 40 C LYS A 8 8.917 7.825 -0.809 1.00 0.00 C ATOM 41 O LYS A 8 8.741 6.954 -1.661 1.00 0.00 O ATOM 42 CB LYS A 8 7.205 9.637 -0.604 1.00 0.00 C ATOM 43 CG LYS A 8 6.106 8.755 -1.177 1.00 0.00 C ATOM 44 CD LYS A 8 5.004 9.582 -1.821 1.00 0.00 C ATOM 45 CE LYS A 8 3.726 8.775 -1.985 1.00 0.00 C ATOM 46 NZ LYS A 8 2.881 9.294 -3.096 1.00 0.00 N ATOM 0 H LYS A 8 7.951 9.193 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 8 9.339 9.906 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.191 9.558 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.989 10.676 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.532 8.076 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.683 8.138 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.804 10.462 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.338 9.939 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.977 7.732 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.159 8.800 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.982 8.772 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.690 10.305 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.380 9.168 -4.000 1.00 0.00 H new ATOM 60 N LYS A 9 9.374 7.566 0.410 1.00 0.00 N ATOM 61 CA LYS A 9 9.704 6.212 0.837 1.00 0.00 C ATOM 62 C LYS A 9 8.795 5.783 1.981 1.00 0.00 C ATOM 63 O LYS A 9 8.587 6.532 2.935 1.00 0.00 O ATOM 64 CB LYS A 9 11.171 6.134 1.270 1.00 0.00 C ATOM 65 CG LYS A 9 11.575 4.774 1.820 1.00 0.00 C ATOM 66 CD LYS A 9 11.793 4.819 3.324 1.00 0.00 C ATOM 67 CE LYS A 9 13.245 5.108 3.667 1.00 0.00 C ATOM 68 NZ LYS A 9 13.578 4.699 5.060 1.00 0.00 N ATOM 0 H LYS A 9 9.525 8.279 1.123 1.00 0.00 H new ATOM 0 HA LYS A 9 9.551 5.535 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.806 6.374 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.357 6.893 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.802 4.042 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.489 4.440 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.155 5.586 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.496 3.867 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.895 4.581 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.442 6.173 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.577 4.913 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.975 5.220 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.414 3.678 5.171 1.00 0.00 H new ATOM 82 N ILE A 10 8.247 4.578 1.879 1.00 0.00 N ATOM 83 CA ILE A 10 7.349 4.063 2.906 1.00 0.00 C ATOM 84 C ILE A 10 7.716 2.634 3.294 1.00 0.00 C ATOM 85 O ILE A 10 8.445 1.952 2.572 1.00 0.00 O ATOM 86 CB ILE A 10 5.870 4.102 2.452 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.701 4.976 1.204 1.00 0.00 C ATOM 88 CG2 ILE A 10 4.988 4.616 3.578 1.00 0.00 C ATOM 89 CD1 ILE A 10 5.936 6.449 1.460 1.00 0.00 C ATOM 0 H ILE A 10 8.408 3.941 1.099 1.00 0.00 H new ATOM 0 HA ILE A 10 7.465 4.714 3.773 1.00 0.00 H new ATOM 0 HB ILE A 10 5.565 3.087 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.394 4.634 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.694 4.840 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.950 4.639 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.078 3.956 4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.302 5.622 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.799 7.006 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.226 6.806 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.952 6.597 1.826 1.00 0.00 H new ATOM 101 N ARG A 11 7.207 2.189 4.438 1.00 0.00 N ATOM 102 CA ARG A 11 7.482 0.841 4.923 1.00 0.00 C ATOM 103 C ARG A 11 6.344 -0.105 4.560 1.00 0.00 C ATOM 104 O ARG A 11 5.207 0.322 4.368 1.00 0.00 O ATOM 105 CB ARG A 11 7.688 0.851 6.439 1.00 0.00 C ATOM 106 CG ARG A 11 8.016 -0.516 7.017 1.00 0.00 C ATOM 107 CD ARG A 11 8.255 -0.447 8.516 1.00 0.00 C ATOM 108 NE ARG A 11 9.418 0.373 8.847 1.00 0.00 N ATOM 109 CZ ARG A 11 10.054 0.320 10.015 1.00 0.00 C ATOM 110 NH1 ARG A 11 9.645 -0.513 10.965 1.00 0.00 N ATOM 111 NH2 ARG A 11 11.104 1.099 10.235 1.00 0.00 N ATOM 0 H ARG A 11 6.602 2.741 5.046 1.00 0.00 H new ATOM 0 HA ARG A 11 8.395 0.488 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.494 1.543 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.786 1.232 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.197 -1.205 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.902 -0.917 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.371 -0.038 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.398 -1.454 8.907 1.00 0.00 H new ATOM 0 HE ARG A 11 9.763 1.024 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.839 -1.117 10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.137 -0.549 11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.425 1.739 9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.591 1.058 11.130 1.00 0.00 H new ATOM 125 N ILE A 12 6.657 -1.394 4.469 1.00 0.00 N ATOM 126 CA ILE A 12 5.659 -2.398 4.129 1.00 0.00 C ATOM 127 C ILE A 12 5.820 -3.641 4.994 1.00 0.00 C ATOM 128 O ILE A 12 6.932 -4.006 5.376 1.00 0.00 O ATOM 129 CB ILE A 12 5.749 -2.815 2.649 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.613 -1.599 1.729 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.677 -3.847 2.334 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.248 -1.796 0.368 1.00 0.00 C ATOM 0 H ILE A 12 7.594 -1.766 4.626 1.00 0.00 H new ATOM 0 HA ILE A 12 4.686 -1.943 4.312 1.00 0.00 H new ATOM 0 HB ILE A 12 6.729 -3.259 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.556 -1.369 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.069 -0.735 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.748 -4.137 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.821 -4.725 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.693 -3.420 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.113 -0.895 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.313 -1.996 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.776 -2.640 -0.135 1.00 0.00 H new ATOM 144 N THR A 13 4.703 -4.294 5.294 1.00 0.00 N ATOM 145 CA THR A 13 4.726 -5.502 6.108 1.00 0.00 C ATOM 146 C THR A 13 3.569 -6.431 5.762 1.00 0.00 C ATOM 147 O THR A 13 2.409 -6.095 5.981 1.00 0.00 O ATOM 148 CB THR A 13 4.679 -5.147 7.588 1.00 0.00 C ATOM 149 OG1 THR A 13 5.297 -3.894 7.826 1.00 0.00 O ATOM 150 CG2 THR A 13 5.367 -6.172 8.450 1.00 0.00 C ATOM 0 H THR A 13 3.773 -4.008 4.987 1.00 0.00 H new ATOM 0 HA THR A 13 5.658 -6.025 5.893 1.00 0.00 H new ATOM 0 HB THR A 13 3.622 -5.113 7.853 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.254 -3.685 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.304 -5.870 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.882 -7.140 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.414 -6.250 8.157 1.00 0.00 H new ATOM 158 N THR A 14 3.890 -7.603 5.223 1.00 0.00 N ATOM 159 CA THR A 14 2.866 -8.571 4.850 1.00 0.00 C ATOM 160 C THR A 14 2.452 -9.429 6.035 1.00 0.00 C ATOM 161 O THR A 14 3.281 -9.816 6.868 1.00 0.00 O ATOM 162 CB THR A 14 3.340 -9.462 3.706 1.00 0.00 C ATOM 163 OG1 THR A 14 3.928 -10.652 4.199 1.00 0.00 O ATOM 164 CG2 THR A 14 4.345 -8.785 2.805 1.00 0.00 C ATOM 0 H THR A 14 4.846 -7.904 5.036 1.00 0.00 H new ATOM 0 HA THR A 14 1.998 -8.003 4.516 1.00 0.00 H new ATOM 0 HB THR A 14 2.446 -9.685 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.314 -11.403 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.643 -9.471 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.897 -7.894 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.222 -8.501 3.387 1.00 0.00 H new ATOM 172 N ASN A 15 1.155 -9.718 6.084 1.00 0.00 N ATOM 173 CA ASN A 15 0.565 -10.524 7.146 1.00 0.00 C ATOM 174 C ASN A 15 1.309 -11.843 7.333 1.00 0.00 C ATOM 175 O ASN A 15 1.291 -12.423 8.419 1.00 0.00 O ATOM 176 CB ASN A 15 -0.922 -10.771 6.842 1.00 0.00 C ATOM 177 CG ASN A 15 -1.188 -12.093 6.147 1.00 0.00 C ATOM 178 OD1 ASN A 15 -1.758 -13.014 6.734 1.00 0.00 O ATOM 179 ND2 ASN A 15 -0.776 -12.193 4.893 1.00 0.00 N ATOM 0 H ASN A 15 0.483 -9.399 5.386 1.00 0.00 H new ATOM 0 HA ASN A 15 0.652 -9.974 8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.485 -10.741 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.296 -9.960 6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.927 -13.058 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.308 -11.405 4.446 1.00 0.00 H new ATOM 186 N ASP A 16 1.961 -12.317 6.277 1.00 0.00 N ATOM 187 CA ASP A 16 2.705 -13.568 6.356 1.00 0.00 C ATOM 188 C ASP A 16 3.815 -13.468 7.399 1.00 0.00 C ATOM 189 O ASP A 16 4.306 -14.482 7.896 1.00 0.00 O ATOM 190 CB ASP A 16 3.288 -13.935 4.991 1.00 0.00 C ATOM 191 CG ASP A 16 2.970 -15.364 4.597 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.784 -15.660 4.341 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.908 -16.189 4.545 1.00 0.00 O ATOM 0 H ASP A 16 1.990 -11.860 5.366 1.00 0.00 H new ATOM 0 HA ASP A 16 2.016 -14.356 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.894 -13.255 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.369 -13.798 5.011 1.00 0.00 H new ATOM 198 N GLY A 17 4.200 -12.238 7.732 1.00 0.00 N ATOM 199 CA GLY A 17 5.239 -12.029 8.720 1.00 0.00 C ATOM 200 C GLY A 17 6.513 -11.469 8.122 1.00 0.00 C ATOM 201 O GLY A 17 7.605 -11.722 8.633 1.00 0.00 O ATOM 0 H GLY A 17 3.809 -11.384 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.873 -11.347 9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.460 -12.975 9.214 1.00 0.00 H new ATOM 205 N ARG A 18 6.384 -10.706 7.040 1.00 0.00 N ATOM 206 CA ARG A 18 7.554 -10.117 6.393 1.00 0.00 C ATOM 207 C ARG A 18 7.356 -8.623 6.152 1.00 0.00 C ATOM 208 O ARG A 18 6.226 -8.143 6.088 1.00 0.00 O ATOM 209 CB ARG A 18 7.858 -10.842 5.077 1.00 0.00 C ATOM 210 CG ARG A 18 6.985 -10.409 3.912 1.00 0.00 C ATOM 211 CD ARG A 18 7.197 -11.302 2.703 1.00 0.00 C ATOM 212 NE ARG A 18 6.871 -12.697 2.986 1.00 0.00 N ATOM 213 CZ ARG A 18 5.673 -13.239 2.776 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.661 -12.492 2.348 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.483 -14.529 3.009 1.00 0.00 N ATOM 0 H ARG A 18 5.493 -10.483 6.597 1.00 0.00 H new ATOM 0 HA ARG A 18 8.407 -10.237 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.903 -10.674 4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.736 -11.914 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.937 -10.439 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.212 -9.376 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.580 -10.946 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.235 -11.232 2.378 1.00 0.00 H new ATOM 0 HE ARG A 18 7.606 -13.293 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.799 -11.496 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.746 -12.915 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.253 -15.105 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.566 -14.947 2.849 1.00 0.00 H new ATOM 229 N GLN A 19 8.460 -7.891 6.027 1.00 0.00 N ATOM 230 CA GLN A 19 8.395 -6.449 5.803 1.00 0.00 C ATOM 231 C GLN A 19 9.472 -5.977 4.832 1.00 0.00 C ATOM 232 O GLN A 19 10.481 -6.650 4.623 1.00 0.00 O ATOM 233 CB GLN A 19 8.529 -5.691 7.128 1.00 0.00 C ATOM 234 CG GLN A 19 9.479 -6.343 8.121 1.00 0.00 C ATOM 235 CD GLN A 19 10.935 -6.049 7.815 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.669 -6.915 7.339 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.359 -4.821 8.089 1.00 0.00 N ATOM 0 H GLN A 19 9.406 -8.270 6.077 1.00 0.00 H new ATOM 0 HA GLN A 19 7.422 -6.237 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.875 -4.678 6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.544 -5.605 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.245 -5.992 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.321 -7.421 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.715 -4.135 8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.329 -4.563 7.905 1.00 0.00 H new ATOM 246 N SER A 20 9.242 -4.804 4.247 1.00 0.00 N ATOM 247 CA SER A 20 10.180 -4.213 3.301 1.00 0.00 C ATOM 248 C SER A 20 9.887 -2.726 3.125 1.00 0.00 C ATOM 249 O SER A 20 8.969 -2.191 3.742 1.00 0.00 O ATOM 250 CB SER A 20 10.099 -4.930 1.951 1.00 0.00 C ATOM 251 OG SER A 20 11.392 -5.172 1.424 1.00 0.00 O ATOM 0 H SER A 20 8.407 -4.242 4.414 1.00 0.00 H new ATOM 0 HA SER A 20 11.189 -4.327 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.568 -5.875 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.524 -4.326 1.249 1.00 0.00 H new ATOM 0 HG SER A 20 11.313 -5.632 0.562 1.00 0.00 H new ATOM 257 N MET A 21 10.671 -2.061 2.282 1.00 0.00 N ATOM 258 CA MET A 21 10.482 -0.635 2.038 1.00 0.00 C ATOM 259 C MET A 21 10.496 -0.326 0.550 1.00 0.00 C ATOM 260 O MET A 21 11.122 -1.031 -0.241 1.00 0.00 O ATOM 261 CB MET A 21 11.556 0.182 2.763 1.00 0.00 C ATOM 262 CG MET A 21 12.925 0.132 2.101 1.00 0.00 C ATOM 263 SD MET A 21 13.766 -1.442 2.355 1.00 0.00 S ATOM 264 CE MET A 21 13.672 -2.144 0.710 1.00 0.00 C ATOM 0 H MET A 21 11.438 -2.483 1.759 1.00 0.00 H new ATOM 0 HA MET A 21 9.505 -0.355 2.432 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.230 1.220 2.821 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.645 -0.182 3.787 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.813 0.311 1.032 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.544 0.938 2.496 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.598 -2.674 0.487 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.834 -2.839 0.658 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.527 -1.346 -0.018 1.00 0.00 H new ATOM 274 N VAL A 22 9.792 0.734 0.180 1.00 0.00 N ATOM 275 CA VAL A 22 9.705 1.144 -1.210 1.00 0.00 C ATOM 276 C VAL A 22 9.959 2.637 -1.369 1.00 0.00 C ATOM 277 O VAL A 22 10.056 3.371 -0.386 1.00 0.00 O ATOM 278 CB VAL A 22 8.325 0.810 -1.795 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.179 -0.688 -2.007 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.226 1.341 -0.892 1.00 0.00 C ATOM 0 H VAL A 22 9.272 1.326 0.827 1.00 0.00 H new ATOM 0 HA VAL A 22 10.475 0.593 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 22 8.234 1.296 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.194 -0.902 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.947 -1.034 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.291 -1.203 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.254 1.097 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.313 0.885 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.321 2.423 -0.801 1.00 0.00 H new ATOM 290 N THR A 23 10.060 3.077 -2.616 1.00 0.00 N ATOM 291 CA THR A 23 10.297 4.482 -2.919 1.00 0.00 C ATOM 292 C THR A 23 9.088 5.093 -3.618 1.00 0.00 C ATOM 293 O THR A 23 9.238 5.952 -4.485 1.00 0.00 O ATOM 294 CB THR A 23 11.542 4.630 -3.799 1.00 0.00 C ATOM 295 OG1 THR A 23 12.057 5.948 -3.728 1.00 0.00 O ATOM 296 CG2 THR A 23 11.287 4.314 -5.261 1.00 0.00 C ATOM 0 H THR A 23 9.981 2.478 -3.438 1.00 0.00 H new ATOM 0 HA THR A 23 10.460 5.013 -1.981 1.00 0.00 H new ATOM 0 HB THR A 23 12.256 3.906 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.852 6.019 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.210 4.439 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.940 3.285 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.527 4.991 -5.652 1.00 0.00 H new ATOM 304 N LEU A 24 7.894 4.631 -3.237 1.00 0.00 N ATOM 305 CA LEU A 24 6.634 5.108 -3.820 1.00 0.00 C ATOM 306 C LEU A 24 6.785 6.479 -4.475 1.00 0.00 C ATOM 307 O LEU A 24 7.239 7.432 -3.845 1.00 0.00 O ATOM 308 CB LEU A 24 5.548 5.159 -2.742 1.00 0.00 C ATOM 309 CG LEU A 24 4.226 4.495 -3.128 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.432 3.012 -3.402 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.188 4.695 -2.035 1.00 0.00 C ATOM 0 H LEU A 24 7.772 3.918 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 24 6.346 4.404 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.929 4.680 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.354 6.202 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 24 3.860 4.966 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.480 2.557 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.141 2.888 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.822 2.527 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.254 4.215 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.548 4.252 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.017 5.761 -1.886 1.00 0.00 H new ATOM 323 N LYS A 25 6.408 6.569 -5.747 1.00 0.00 N ATOM 324 CA LYS A 25 6.511 7.821 -6.486 1.00 0.00 C ATOM 325 C LYS A 25 5.684 8.913 -5.822 1.00 0.00 C ATOM 326 O LYS A 25 4.828 8.636 -4.982 1.00 0.00 O ATOM 327 CB LYS A 25 6.063 7.628 -7.936 1.00 0.00 C ATOM 328 CG LYS A 25 7.196 7.230 -8.869 1.00 0.00 C ATOM 329 CD LYS A 25 7.807 5.902 -8.463 1.00 0.00 C ATOM 330 CE LYS A 25 8.911 6.089 -7.437 1.00 0.00 C ATOM 331 NZ LYS A 25 10.205 5.521 -7.906 1.00 0.00 N ATOM 0 H LYS A 25 6.029 5.790 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 25 7.556 8.130 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.288 6.863 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.613 8.553 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.822 7.163 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.964 8.003 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.033 5.254 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.208 5.400 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.035 7.151 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.622 5.611 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.989 5.971 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.218 4.496 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.313 5.699 -8.925 1.00 0.00 H new ATOM 345 N SER A 26 5.954 10.157 -6.198 1.00 0.00 N ATOM 346 CA SER A 26 5.244 11.295 -5.634 1.00 0.00 C ATOM 347 C SER A 26 3.756 11.250 -5.976 1.00 0.00 C ATOM 348 O SER A 26 2.930 11.810 -5.257 1.00 0.00 O ATOM 349 CB SER A 26 5.855 12.604 -6.136 1.00 0.00 C ATOM 350 OG SER A 26 5.878 13.583 -5.111 1.00 0.00 O ATOM 0 H SER A 26 6.660 10.402 -6.892 1.00 0.00 H new ATOM 0 HA SER A 26 5.344 11.244 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.869 12.422 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.280 12.975 -6.985 1.00 0.00 H new ATOM 0 HG SER A 26 6.275 14.410 -5.457 1.00 0.00 H new ATOM 356 N SER A 27 3.421 10.586 -7.079 1.00 0.00 N ATOM 357 CA SER A 27 2.030 10.482 -7.510 1.00 0.00 C ATOM 358 C SER A 27 1.618 9.025 -7.706 1.00 0.00 C ATOM 359 O SER A 27 1.054 8.662 -8.738 1.00 0.00 O ATOM 360 CB SER A 27 1.818 11.264 -8.808 1.00 0.00 C ATOM 361 OG SER A 27 2.529 12.489 -8.788 1.00 0.00 O ATOM 0 H SER A 27 4.090 10.114 -7.688 1.00 0.00 H new ATOM 0 HA SER A 27 1.404 10.910 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.147 10.663 -9.656 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.755 11.459 -8.949 1.00 0.00 H new ATOM 0 HG SER A 27 2.378 12.969 -9.629 1.00 0.00 H new ATOM 367 N THR A 28 1.898 8.193 -6.708 1.00 0.00 N ATOM 368 CA THR A 28 1.552 6.777 -6.776 1.00 0.00 C ATOM 369 C THR A 28 0.168 6.524 -6.184 1.00 0.00 C ATOM 370 O THR A 28 -0.030 6.641 -4.975 1.00 0.00 O ATOM 371 CB THR A 28 2.600 5.936 -6.036 1.00 0.00 C ATOM 372 OG1 THR A 28 3.773 5.802 -6.815 1.00 0.00 O ATOM 373 CG2 THR A 28 2.123 4.538 -5.686 1.00 0.00 C ATOM 0 H THR A 28 2.362 8.474 -5.844 1.00 0.00 H new ATOM 0 HA THR A 28 1.536 6.483 -7.826 1.00 0.00 H new ATOM 0 HB THR A 28 2.794 6.476 -5.109 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.208 4.948 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.917 4.003 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.246 4.603 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.864 4.003 -6.599 1.00 0.00 H new ATOM 381 N THR A 29 -0.779 6.157 -7.039 1.00 0.00 N ATOM 382 CA THR A 29 -2.136 5.867 -6.594 1.00 0.00 C ATOM 383 C THR A 29 -2.219 4.435 -6.073 1.00 0.00 C ATOM 384 O THR A 29 -1.242 3.689 -6.134 1.00 0.00 O ATOM 385 CB THR A 29 -3.131 6.076 -7.737 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.416 5.590 -7.383 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.718 5.395 -9.026 1.00 0.00 C ATOM 0 H THR A 29 -0.632 6.053 -8.043 1.00 0.00 H new ATOM 0 HA THR A 29 -2.393 6.552 -5.786 1.00 0.00 H new ATOM 0 HB THR A 29 -3.151 7.153 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.081 5.932 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.468 5.584 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.756 5.789 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.632 4.321 -8.859 1.00 0.00 H new ATOM 395 N PHE A 30 -3.384 4.051 -5.560 1.00 0.00 N ATOM 396 CA PHE A 30 -3.575 2.702 -5.029 1.00 0.00 C ATOM 397 C PHE A 30 -3.054 1.650 -6.004 1.00 0.00 C ATOM 398 O PHE A 30 -2.400 0.688 -5.602 1.00 0.00 O ATOM 399 CB PHE A 30 -5.052 2.446 -4.731 1.00 0.00 C ATOM 400 CG PHE A 30 -5.309 1.102 -4.112 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.888 0.827 -2.820 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.967 0.112 -4.823 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.121 -0.408 -2.249 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.203 -1.127 -4.256 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.779 -1.388 -2.968 1.00 0.00 C ATOM 0 H PHE A 30 -4.207 4.650 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.007 2.627 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.420 3.223 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.622 2.527 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.372 1.588 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.299 0.310 -5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.789 -0.608 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.719 -1.890 -4.820 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.961 -2.355 -2.524 1.00 0.00 H new ATOM 415 N PHE A 31 -3.344 1.842 -7.286 1.00 0.00 N ATOM 416 CA PHE A 31 -2.897 0.911 -8.315 1.00 0.00 C ATOM 417 C PHE A 31 -1.377 0.912 -8.418 1.00 0.00 C ATOM 418 O PHE A 31 -0.747 -0.143 -8.486 1.00 0.00 O ATOM 419 CB PHE A 31 -3.512 1.278 -9.667 1.00 0.00 C ATOM 420 CG PHE A 31 -5.005 1.436 -9.624 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.818 0.373 -9.267 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.595 2.650 -9.939 1.00 0.00 C ATOM 423 CE1 PHE A 31 -7.192 0.515 -9.225 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.969 2.799 -9.900 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.768 1.730 -9.542 1.00 0.00 C ATOM 0 H PHE A 31 -3.885 2.632 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.226 -0.090 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.066 2.208 -10.019 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.257 0.507 -10.394 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.373 -0.579 -9.018 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.975 3.489 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.814 -0.322 -8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.417 3.750 -10.149 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.841 1.844 -9.510 1.00 0.00 H new ATOM 435 N GLU A 32 -0.792 2.106 -8.421 1.00 0.00 N ATOM 436 CA GLU A 32 0.656 2.247 -8.506 1.00 0.00 C ATOM 437 C GLU A 32 1.326 1.661 -7.270 1.00 0.00 C ATOM 438 O GLU A 32 2.439 1.139 -7.342 1.00 0.00 O ATOM 439 CB GLU A 32 1.040 3.719 -8.664 1.00 0.00 C ATOM 440 CG GLU A 32 0.950 4.221 -10.096 1.00 0.00 C ATOM 441 CD GLU A 32 2.265 4.779 -10.605 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.250 4.013 -10.666 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.310 5.980 -10.941 1.00 0.00 O ATOM 0 H GLU A 32 -1.299 2.989 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 32 1.002 1.698 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.389 4.325 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.058 3.861 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.632 3.404 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.184 4.994 -10.158 1.00 0.00 H new ATOM 450 N LEU A 33 0.638 1.744 -6.136 1.00 0.00 N ATOM 451 CA LEU A 33 1.162 1.216 -4.883 1.00 0.00 C ATOM 452 C LEU A 33 1.166 -0.310 -4.907 1.00 0.00 C ATOM 453 O LEU A 33 2.121 -0.947 -4.465 1.00 0.00 O ATOM 454 CB LEU A 33 0.331 1.722 -3.701 1.00 0.00 C ATOM 455 CG LEU A 33 0.638 1.059 -2.355 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.129 1.107 -2.063 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.148 1.731 -1.240 1.00 0.00 C ATOM 0 H LEU A 33 -0.285 2.172 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 33 2.188 1.566 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.486 2.796 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.724 1.572 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 33 0.334 0.014 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.327 0.631 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.671 0.579 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.460 2.145 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.082 1.248 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.125 2.785 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.215 1.643 -1.443 1.00 0.00 H new ATOM 469 N GLN A 34 0.090 -0.888 -5.431 1.00 0.00 N ATOM 470 CA GLN A 34 -0.031 -2.338 -5.519 1.00 0.00 C ATOM 471 C GLN A 34 1.091 -2.923 -6.369 1.00 0.00 C ATOM 472 O GLN A 34 1.519 -4.057 -6.157 1.00 0.00 O ATOM 473 CB GLN A 34 -1.388 -2.723 -6.110 1.00 0.00 C ATOM 474 CG GLN A 34 -2.570 -2.202 -5.310 1.00 0.00 C ATOM 475 CD GLN A 34 -3.209 -3.274 -4.450 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.433 -3.356 -4.346 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.381 -4.103 -3.825 1.00 0.00 N ATOM 0 H GLN A 34 -0.710 -0.375 -5.801 1.00 0.00 H new ATOM 0 HA GLN A 34 0.047 -2.747 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.453 -2.341 -7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.453 -3.809 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.240 -1.380 -4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.316 -1.797 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.373 -3.999 -3.939 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.753 -4.844 -3.231 1.00 0.00 H new ATOM 486 N GLU A 35 1.564 -2.138 -7.332 1.00 0.00 N ATOM 487 CA GLU A 35 2.637 -2.574 -8.216 1.00 0.00 C ATOM 488 C GLU A 35 3.992 -2.469 -7.524 1.00 0.00 C ATOM 489 O GLU A 35 4.926 -3.202 -7.852 1.00 0.00 O ATOM 490 CB GLU A 35 2.640 -1.739 -9.498 1.00 0.00 C ATOM 491 CG GLU A 35 3.715 -2.151 -10.491 1.00 0.00 C ATOM 492 CD GLU A 35 3.140 -2.660 -11.798 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.414 -1.893 -12.465 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.416 -3.825 -12.155 1.00 0.00 O ATOM 0 H GLU A 35 1.220 -1.196 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 35 2.461 -3.619 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.664 -1.821 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.780 -0.690 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.364 -1.299 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.337 -2.927 -10.046 1.00 0.00 H new ATOM 501 N SER A 36 4.094 -1.554 -6.564 1.00 0.00 N ATOM 502 CA SER A 36 5.337 -1.357 -5.827 1.00 0.00 C ATOM 503 C SER A 36 5.591 -2.519 -4.874 1.00 0.00 C ATOM 504 O SER A 36 6.674 -3.103 -4.867 1.00 0.00 O ATOM 505 CB SER A 36 5.291 -0.042 -5.047 1.00 0.00 C ATOM 506 OG SER A 36 5.713 1.045 -5.852 1.00 0.00 O ATOM 0 H SER A 36 3.332 -0.939 -6.279 1.00 0.00 H new ATOM 0 HA SER A 36 6.155 -1.314 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.277 0.138 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.929 -0.116 -4.167 1.00 0.00 H new ATOM 0 HG SER A 36 6.496 1.470 -5.443 1.00 0.00 H new ATOM 512 N ILE A 37 4.584 -2.850 -4.072 1.00 0.00 N ATOM 513 CA ILE A 37 4.699 -3.946 -3.118 1.00 0.00 C ATOM 514 C ILE A 37 5.020 -5.253 -3.829 1.00 0.00 C ATOM 515 O ILE A 37 5.804 -6.065 -3.336 1.00 0.00 O ATOM 516 CB ILE A 37 3.402 -4.123 -2.306 1.00 0.00 C ATOM 517 CG1 ILE A 37 2.980 -2.792 -1.678 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.588 -5.187 -1.236 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.509 -2.483 -1.851 1.00 0.00 C ATOM 0 H ILE A 37 3.681 -2.376 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 37 5.512 -3.692 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 37 2.611 -4.450 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.217 -2.810 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.567 -1.988 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.663 -5.300 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.844 -6.136 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.391 -4.889 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.281 -1.526 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.270 -2.433 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.915 -3.268 -1.382 1.00 0.00 H new ATOM 531 N ALA A 38 4.414 -5.448 -4.994 1.00 0.00 N ATOM 532 CA ALA A 38 4.639 -6.653 -5.780 1.00 0.00 C ATOM 533 C ALA A 38 6.116 -6.815 -6.131 1.00 0.00 C ATOM 534 O ALA A 38 6.565 -7.908 -6.474 1.00 0.00 O ATOM 535 CB ALA A 38 3.791 -6.623 -7.043 1.00 0.00 C ATOM 0 H ALA A 38 3.762 -4.786 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 38 4.343 -7.512 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.968 -7.529 -7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.737 -6.566 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.060 -5.752 -7.641 1.00 0.00 H new ATOM 541 N ARG A 39 6.869 -5.720 -6.039 1.00 0.00 N ATOM 542 CA ARG A 39 8.295 -5.746 -6.343 1.00 0.00 C ATOM 543 C ARG A 39 9.108 -6.037 -5.087 1.00 0.00 C ATOM 544 O ARG A 39 9.998 -6.887 -5.091 1.00 0.00 O ATOM 545 CB ARG A 39 8.740 -4.412 -6.950 1.00 0.00 C ATOM 546 CG ARG A 39 7.685 -3.750 -7.822 1.00 0.00 C ATOM 547 CD ARG A 39 8.316 -2.893 -8.906 1.00 0.00 C ATOM 548 NE ARG A 39 7.576 -2.965 -10.163 1.00 0.00 N ATOM 549 CZ ARG A 39 7.827 -2.193 -11.218 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.797 -1.289 -11.171 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.105 -2.325 -12.323 1.00 0.00 N ATOM 0 H ARG A 39 6.514 -4.806 -5.757 1.00 0.00 H new ATOM 0 HA ARG A 39 8.470 -6.541 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.012 -3.730 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.638 -4.576 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.058 -4.515 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.034 -3.133 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.359 -1.857 -8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.343 -3.217 -9.072 1.00 0.00 H new ATOM 0 HE ARG A 39 6.822 -3.648 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.355 -1.183 -10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.985 -0.700 -11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.358 -3.018 -12.364 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.297 -1.734 -13.131 1.00 0.00 H new ATOM 565 N GLU A 40 8.794 -5.319 -4.014 1.00 0.00 N ATOM 566 CA GLU A 40 9.491 -5.488 -2.745 1.00 0.00 C ATOM 567 C GLU A 40 9.227 -6.868 -2.152 1.00 0.00 C ATOM 568 O GLU A 40 10.079 -7.430 -1.462 1.00 0.00 O ATOM 569 CB GLU A 40 9.054 -4.404 -1.757 1.00 0.00 C ATOM 570 CG GLU A 40 10.139 -3.383 -1.455 1.00 0.00 C ATOM 571 CD GLU A 40 10.709 -2.751 -2.709 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.000 -2.726 -3.737 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.865 -2.281 -2.664 1.00 0.00 O ATOM 0 H GLU A 40 8.059 -4.612 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 40 10.561 -5.396 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.182 -3.887 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.743 -4.877 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.730 -2.603 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.942 -3.866 -0.898 1.00 0.00 H new ATOM 580 N PHE A 41 8.043 -7.407 -2.417 1.00 0.00 N ATOM 581 CA PHE A 41 7.668 -8.717 -1.901 1.00 0.00 C ATOM 582 C PHE A 41 7.354 -9.687 -3.036 1.00 0.00 C ATOM 583 O PHE A 41 7.562 -9.373 -4.208 1.00 0.00 O ATOM 584 CB PHE A 41 6.468 -8.587 -0.964 1.00 0.00 C ATOM 585 CG PHE A 41 6.688 -7.592 0.141 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.700 -6.232 -0.125 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.888 -8.017 1.444 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.909 -5.316 0.889 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.096 -7.106 2.461 1.00 0.00 C ATOM 590 CZ PHE A 41 7.106 -5.755 2.184 1.00 0.00 C ATOM 0 H PHE A 41 7.326 -6.957 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 41 8.513 -9.118 -1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.593 -8.291 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.247 -9.562 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.544 -5.884 -1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.881 -9.074 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.918 -4.259 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.251 -7.451 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.268 -5.041 2.978 1.00 0.00 H new ATOM 600 N ASN A 42 6.862 -10.870 -2.681 1.00 0.00 N ATOM 601 CA ASN A 42 6.532 -11.888 -3.670 1.00 0.00 C ATOM 602 C ASN A 42 5.023 -12.106 -3.766 1.00 0.00 C ATOM 603 O ASN A 42 4.548 -13.242 -3.754 1.00 0.00 O ATOM 604 CB ASN A 42 7.228 -13.207 -3.324 1.00 0.00 C ATOM 605 CG ASN A 42 8.734 -13.123 -3.476 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.298 -13.617 -4.452 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.393 -12.496 -2.509 1.00 0.00 N ATOM 0 H ASN A 42 6.683 -11.146 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 42 6.885 -11.536 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.984 -13.485 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.844 -13.997 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.408 -12.409 -2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.884 -12.101 -1.718 1.00 0.00 H new ATOM 614 N ILE A 43 4.274 -11.012 -3.870 1.00 0.00 N ATOM 615 CA ILE A 43 2.825 -11.092 -3.977 1.00 0.00 C ATOM 616 C ILE A 43 2.312 -10.188 -5.095 1.00 0.00 C ATOM 617 O ILE A 43 2.740 -9.042 -5.224 1.00 0.00 O ATOM 618 CB ILE A 43 2.135 -10.709 -2.654 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.718 -11.524 -1.498 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.632 -10.926 -2.755 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.664 -10.735 -0.624 1.00 0.00 C ATOM 0 H ILE A 43 4.648 -10.063 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 43 2.580 -12.129 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 43 2.316 -9.652 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.902 -11.906 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.244 -12.389 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.160 -10.650 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.228 -10.308 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.429 -11.975 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.040 -11.374 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.500 -10.375 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.136 -9.885 -0.191 1.00 0.00 H new ATOM 633 N PRO A 44 1.388 -10.696 -5.925 1.00 0.00 N ATOM 634 CA PRO A 44 0.819 -9.934 -7.040 1.00 0.00 C ATOM 635 C PRO A 44 -0.114 -8.820 -6.572 1.00 0.00 C ATOM 636 O PRO A 44 -0.537 -8.797 -5.417 1.00 0.00 O ATOM 637 CB PRO A 44 0.043 -10.987 -7.833 1.00 0.00 C ATOM 638 CG PRO A 44 -0.301 -12.037 -6.834 1.00 0.00 C ATOM 639 CD PRO A 44 0.827 -12.056 -5.840 1.00 0.00 C ATOM 0 HA PRO A 44 1.591 -9.428 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.853 -10.561 -8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.646 -11.395 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.248 -11.812 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.413 -13.009 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.471 -12.281 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.570 -12.813 -6.092 1.00 0.00 H new ATOM 647 N PRO A 45 -0.446 -7.876 -7.469 1.00 0.00 N ATOM 648 CA PRO A 45 -1.331 -6.750 -7.145 1.00 0.00 C ATOM 649 C PRO A 45 -2.753 -7.191 -6.818 1.00 0.00 C ATOM 650 O PRO A 45 -3.487 -6.482 -6.130 1.00 0.00 O ATOM 651 CB PRO A 45 -1.316 -5.900 -8.419 1.00 0.00 C ATOM 652 CG PRO A 45 -0.920 -6.841 -9.504 1.00 0.00 C ATOM 653 CD PRO A 45 0.017 -7.828 -8.868 1.00 0.00 C ATOM 0 HA PRO A 45 -0.991 -6.218 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.295 -5.463 -8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.609 -5.074 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.792 -7.344 -9.923 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.433 -6.311 -10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.043 -8.806 -9.346 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.055 -7.502 -8.938 1.00 0.00 H new ATOM 661 N TYR A 46 -3.143 -8.362 -7.315 1.00 0.00 N ATOM 662 CA TYR A 46 -4.487 -8.880 -7.068 1.00 0.00 C ATOM 663 C TYR A 46 -4.529 -9.759 -5.818 1.00 0.00 C ATOM 664 O TYR A 46 -5.527 -10.433 -5.559 1.00 0.00 O ATOM 665 CB TYR A 46 -4.991 -9.664 -8.284 1.00 0.00 C ATOM 666 CG TYR A 46 -4.262 -10.966 -8.523 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.064 -10.994 -9.225 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.774 -12.167 -8.050 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.395 -12.183 -9.448 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.111 -13.360 -8.268 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.922 -13.363 -8.967 1.00 0.00 C ATOM 672 OH TYR A 46 -2.260 -14.548 -9.188 1.00 0.00 O ATOM 0 H TYR A 46 -2.553 -8.967 -7.887 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.144 -8.026 -6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.053 -9.873 -8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.896 -9.038 -9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.648 -10.072 -9.603 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.705 -12.169 -7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.464 -12.188 -9.996 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.522 -14.286 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.764 -15.285 -8.783 1.00 0.00 H new ATOM 682 N LEU A 47 -3.450 -9.744 -5.039 1.00 0.00 N ATOM 683 CA LEU A 47 -3.379 -10.536 -3.815 1.00 0.00 C ATOM 684 C LEU A 47 -2.721 -9.752 -2.681 1.00 0.00 C ATOM 685 O LEU A 47 -2.432 -10.308 -1.623 1.00 0.00 O ATOM 686 CB LEU A 47 -2.599 -11.829 -4.058 1.00 0.00 C ATOM 687 CG LEU A 47 -3.222 -12.787 -5.073 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.260 -13.919 -5.396 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.537 -13.340 -4.546 1.00 0.00 C ATOM 0 H LEU A 47 -2.614 -9.193 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.401 -10.777 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.595 -11.570 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.491 -12.352 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.424 -12.234 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.720 -14.592 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.342 -13.508 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.028 -14.470 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.967 -14.020 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.358 -13.878 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.230 -12.519 -4.363 1.00 0.00 H new ATOM 701 N GLN A 48 -2.483 -8.461 -2.901 1.00 0.00 N ATOM 702 CA GLN A 48 -1.855 -7.625 -1.886 1.00 0.00 C ATOM 703 C GLN A 48 -2.850 -6.634 -1.295 1.00 0.00 C ATOM 704 O GLN A 48 -3.289 -5.701 -1.967 1.00 0.00 O ATOM 705 CB GLN A 48 -0.664 -6.871 -2.481 1.00 0.00 C ATOM 706 CG GLN A 48 0.543 -7.756 -2.747 1.00 0.00 C ATOM 707 CD GLN A 48 1.676 -7.014 -3.431 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.831 -7.105 -3.016 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.351 -6.279 -4.488 1.00 0.00 N ATOM 0 H GLN A 48 -2.714 -7.975 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.505 -8.278 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.972 -6.400 -3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.374 -6.070 -1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.901 -8.167 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.240 -8.599 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.380 -6.232 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.072 -5.761 -4.990 1.00 0.00 H new ATOM 718 N CYS A 49 -3.188 -6.834 -0.028 1.00 0.00 N ATOM 719 CA CYS A 49 -4.116 -5.952 0.663 1.00 0.00 C ATOM 720 C CYS A 49 -3.351 -5.056 1.632 1.00 0.00 C ATOM 721 O CYS A 49 -2.916 -5.505 2.692 1.00 0.00 O ATOM 722 CB CYS A 49 -5.175 -6.768 1.410 1.00 0.00 C ATOM 723 SG CYS A 49 -6.299 -5.780 2.425 1.00 0.00 S ATOM 0 H CYS A 49 -2.832 -7.601 0.542 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.624 -5.327 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.761 -7.332 0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.673 -7.495 2.048 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.155 -6.563 3.012 1.00 0.00 H new ATOM 729 N ILE A 50 -3.178 -3.794 1.247 1.00 0.00 N ATOM 730 CA ILE A 50 -2.446 -2.831 2.065 1.00 0.00 C ATOM 731 C ILE A 50 -3.304 -2.291 3.203 1.00 0.00 C ATOM 732 O ILE A 50 -4.527 -2.210 3.093 1.00 0.00 O ATOM 733 CB ILE A 50 -1.943 -1.646 1.218 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.210 -2.149 -0.028 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.033 -0.750 2.047 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.550 -1.375 -1.283 1.00 0.00 C ATOM 0 H ILE A 50 -3.536 -3.414 0.371 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.594 -3.366 2.484 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.805 -1.061 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.135 -2.092 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.452 -3.200 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.686 0.082 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.585 -0.364 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.176 -1.326 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.994 -1.786 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.619 -1.453 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.282 -0.327 -1.148 1.00 0.00 H new ATOM 748 N ARG A 51 -2.644 -1.915 4.295 1.00 0.00 N ATOM 749 CA ARG A 51 -3.328 -1.373 5.458 1.00 0.00 C ATOM 750 C ARG A 51 -2.536 -0.216 6.054 1.00 0.00 C ATOM 751 O ARG A 51 -1.311 -0.168 5.943 1.00 0.00 O ATOM 752 CB ARG A 51 -3.533 -2.462 6.509 1.00 0.00 C ATOM 753 CG ARG A 51 -4.176 -3.719 5.956 1.00 0.00 C ATOM 754 CD ARG A 51 -4.708 -4.601 7.069 1.00 0.00 C ATOM 755 NE ARG A 51 -3.680 -5.491 7.605 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.665 -6.812 7.428 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.616 -7.413 6.722 1.00 0.00 N ATOM 758 NH2 ARG A 51 -2.691 -7.538 7.959 1.00 0.00 N ATOM 0 H ARG A 51 -1.631 -1.978 4.396 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.302 -1.002 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.569 -2.719 6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.155 -2.068 7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.990 -3.448 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.446 -4.274 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.099 -3.975 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.541 -5.195 6.693 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.925 -5.074 8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.369 -6.863 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.594 -8.425 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.955 -7.085 8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.677 -8.549 7.825 1.00 0.00 H new ATOM 772 N TYR A 52 -3.242 0.714 6.682 1.00 0.00 N ATOM 773 CA TYR A 52 -2.603 1.874 7.291 1.00 0.00 C ATOM 774 C TYR A 52 -3.438 2.418 8.448 1.00 0.00 C ATOM 775 O TYR A 52 -4.621 2.105 8.573 1.00 0.00 O ATOM 776 CB TYR A 52 -2.384 2.966 6.243 1.00 0.00 C ATOM 777 CG TYR A 52 -3.668 3.562 5.709 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.465 2.855 4.817 1.00 0.00 C ATOM 779 CD2 TYR A 52 -4.083 4.830 6.097 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.639 3.396 4.327 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.255 5.377 5.611 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.029 4.656 4.726 1.00 0.00 C ATOM 783 OH TYR A 52 -7.196 5.198 4.240 1.00 0.00 O ATOM 0 H TYR A 52 -4.257 0.689 6.783 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.638 1.559 7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.779 3.761 6.680 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.813 2.551 5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.163 1.867 4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.479 5.397 6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.248 2.834 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.563 6.364 5.923 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.325 6.091 4.621 1.00 0.00 H new ATOM 793 N GLY A 53 -2.811 3.237 9.287 1.00 0.00 N ATOM 794 CA GLY A 53 -3.509 3.817 10.420 1.00 0.00 C ATOM 795 C GLY A 53 -3.899 2.782 11.459 1.00 0.00 C ATOM 796 O GLY A 53 -3.759 1.581 11.233 1.00 0.00 O ATOM 0 H GLY A 53 -1.832 3.509 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.875 4.572 10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.405 4.327 10.067 1.00 0.00 H new ATOM 800 N PHE A 54 -4.391 3.253 12.601 1.00 0.00 N ATOM 801 CA PHE A 54 -4.805 2.366 13.681 1.00 0.00 C ATOM 802 C PHE A 54 -6.264 2.624 14.065 1.00 0.00 C ATOM 803 O PHE A 54 -6.617 3.737 14.456 1.00 0.00 O ATOM 804 CB PHE A 54 -3.905 2.563 14.903 1.00 0.00 C ATOM 805 CG PHE A 54 -3.921 1.400 15.853 1.00 0.00 C ATOM 806 CD1 PHE A 54 -3.384 0.177 15.484 1.00 0.00 C ATOM 807 CD2 PHE A 54 -4.474 1.530 17.117 1.00 0.00 C ATOM 808 CE1 PHE A 54 -3.398 -0.893 16.356 1.00 0.00 C ATOM 809 CE2 PHE A 54 -4.491 0.462 17.994 1.00 0.00 C ATOM 810 CZ PHE A 54 -3.953 -0.751 17.613 1.00 0.00 C ATOM 0 H PHE A 54 -4.512 4.246 12.802 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.713 1.338 13.331 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.882 2.733 14.567 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.220 3.461 15.435 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.949 0.060 14.502 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.896 2.477 17.420 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.975 -1.840 16.056 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.925 0.576 18.976 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.966 -1.587 18.296 1.00 0.00 H new ATOM 820 N PRO A 55 -7.140 1.604 13.959 1.00 0.00 N ATOM 821 CA PRO A 55 -6.769 0.259 13.498 1.00 0.00 C ATOM 822 C PRO A 55 -6.433 0.226 12.010 1.00 0.00 C ATOM 823 O PRO A 55 -6.937 1.038 11.233 1.00 0.00 O ATOM 824 CB PRO A 55 -8.023 -0.572 13.780 1.00 0.00 C ATOM 825 CG PRO A 55 -9.140 0.410 13.750 1.00 0.00 C ATOM 826 CD PRO A 55 -8.575 1.695 14.289 1.00 0.00 C ATOM 0 HA PRO A 55 -5.874 -0.110 13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.160 -1.350 13.029 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.959 -1.070 14.748 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.515 0.544 12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.978 0.067 14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.040 2.564 13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.735 1.785 15.363 1.00 0.00 H new ATOM 834 N PRO A 56 -5.569 -0.716 11.591 1.00 0.00 N ATOM 835 CA PRO A 56 -5.165 -0.849 10.192 1.00 0.00 C ATOM 836 C PRO A 56 -6.355 -0.884 9.245 1.00 0.00 C ATOM 837 O PRO A 56 -7.300 -1.652 9.436 1.00 0.00 O ATOM 838 CB PRO A 56 -4.416 -2.181 10.156 1.00 0.00 C ATOM 839 CG PRO A 56 -3.909 -2.367 11.544 1.00 0.00 C ATOM 840 CD PRO A 56 -4.921 -1.721 12.450 1.00 0.00 C ATOM 0 HA PRO A 56 -4.565 -0.001 9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.075 -2.998 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.598 -2.156 9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.796 -3.425 11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.928 -1.907 11.665 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.640 -2.447 12.829 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.446 -1.261 13.316 1.00 0.00 H new ATOM 848 N LYS A 57 -6.294 -0.046 8.224 1.00 0.00 N ATOM 849 CA LYS A 57 -7.354 0.038 7.228 1.00 0.00 C ATOM 850 C LYS A 57 -7.113 -0.949 6.095 1.00 0.00 C ATOM 851 O LYS A 57 -6.100 -1.645 6.069 1.00 0.00 O ATOM 852 CB LYS A 57 -7.446 1.456 6.666 1.00 0.00 C ATOM 853 CG LYS A 57 -7.593 2.523 7.735 1.00 0.00 C ATOM 854 CD LYS A 57 -9.049 2.903 7.950 1.00 0.00 C ATOM 855 CE LYS A 57 -9.507 2.584 9.364 1.00 0.00 C ATOM 856 NZ LYS A 57 -10.962 2.274 9.420 1.00 0.00 N ATOM 0 H LYS A 57 -5.515 0.592 8.061 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.295 -0.215 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.552 1.664 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.296 1.514 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.169 2.161 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.024 3.407 7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.180 3.967 7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.675 2.369 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.940 1.735 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.291 3.431 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.234 2.062 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.505 3.093 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.165 1.450 8.819 1.00 0.00 H new ATOM 870 N GLU A 58 -8.053 -1.008 5.161 1.00 0.00 N ATOM 871 CA GLU A 58 -7.944 -1.912 4.023 1.00 0.00 C ATOM 872 C GLU A 58 -7.475 -1.173 2.769 1.00 0.00 C ATOM 873 O GLU A 58 -7.076 -1.799 1.787 1.00 0.00 O ATOM 874 CB GLU A 58 -9.287 -2.593 3.753 1.00 0.00 C ATOM 875 CG GLU A 58 -9.240 -3.597 2.613 1.00 0.00 C ATOM 876 CD GLU A 58 -10.115 -4.808 2.868 1.00 0.00 C ATOM 877 OE1 GLU A 58 -10.265 -5.195 4.046 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.652 -5.369 1.889 1.00 0.00 O ATOM 0 H GLU A 58 -8.900 -0.440 5.169 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.201 -2.670 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.617 -3.100 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.032 -1.831 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.559 -3.110 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.211 -3.922 2.462 1.00 0.00 H new ATOM 885 N LEU A 59 -7.528 0.158 2.806 1.00 0.00 N ATOM 886 CA LEU A 59 -7.108 0.973 1.670 1.00 0.00 C ATOM 887 C LEU A 59 -7.757 0.486 0.377 1.00 0.00 C ATOM 888 O LEU A 59 -7.136 -0.226 -0.412 1.00 0.00 O ATOM 889 CB LEU A 59 -5.584 0.946 1.539 1.00 0.00 C ATOM 890 CG LEU A 59 -4.988 1.967 0.563 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.604 3.341 0.777 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.477 2.029 0.721 1.00 0.00 C ATOM 0 H LEU A 59 -7.857 0.693 3.610 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.433 1.998 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.149 1.114 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.281 -0.052 1.223 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.219 1.646 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.166 4.050 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.680 3.286 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.407 3.673 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.068 2.758 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.230 2.325 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.049 1.048 0.514 1.00 0.00 H new ATOM 904 N MET A 60 -9.012 0.870 0.173 1.00 0.00 N ATOM 905 CA MET A 60 -9.754 0.471 -1.019 1.00 0.00 C ATOM 906 C MET A 60 -9.231 1.196 -2.258 1.00 0.00 C ATOM 907 O MET A 60 -8.619 2.258 -2.154 1.00 0.00 O ATOM 908 CB MET A 60 -11.246 0.757 -0.836 1.00 0.00 C ATOM 909 CG MET A 60 -11.571 2.236 -0.722 1.00 0.00 C ATOM 910 SD MET A 60 -13.346 2.555 -0.643 1.00 0.00 S ATOM 911 CE MET A 60 -13.873 1.274 0.493 1.00 0.00 C ATOM 0 H MET A 60 -9.539 1.458 0.819 1.00 0.00 H new ATOM 0 HA MET A 60 -9.611 -0.600 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.794 0.337 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.598 0.246 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.093 2.641 0.170 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.149 2.764 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.872 1.505 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.891 0.314 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.178 1.222 1.331 1.00 0.00 H new ATOM 921 N PRO A 61 -9.468 0.626 -3.452 1.00 0.00 N ATOM 922 CA PRO A 61 -9.019 1.218 -4.713 1.00 0.00 C ATOM 923 C PRO A 61 -9.904 2.381 -5.156 1.00 0.00 C ATOM 924 O PRO A 61 -11.122 2.344 -4.986 1.00 0.00 O ATOM 925 CB PRO A 61 -9.128 0.058 -5.700 1.00 0.00 C ATOM 926 CG PRO A 61 -10.232 -0.789 -5.164 1.00 0.00 C ATOM 927 CD PRO A 61 -10.190 -0.645 -3.665 1.00 0.00 C ATOM 0 HA PRO A 61 -8.017 1.639 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.353 0.413 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.194 -0.500 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.196 -0.466 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.100 -1.830 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.192 -0.612 -3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.672 -1.482 -3.197 1.00 0.00 H new ATOM 935 N PRO A 62 -9.298 3.433 -5.733 1.00 0.00 N ATOM 936 CA PRO A 62 -10.037 4.608 -6.200 1.00 0.00 C ATOM 937 C PRO A 62 -10.916 4.298 -7.407 1.00 0.00 C ATOM 938 O PRO A 62 -11.072 3.140 -7.794 1.00 0.00 O ATOM 939 CB PRO A 62 -8.934 5.595 -6.585 1.00 0.00 C ATOM 940 CG PRO A 62 -7.748 4.748 -6.885 1.00 0.00 C ATOM 941 CD PRO A 62 -7.848 3.557 -5.975 1.00 0.00 C ATOM 0 HA PRO A 62 -10.719 4.986 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.222 6.191 -7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.726 6.292 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.743 4.441 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.823 5.296 -6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.440 2.660 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.298 3.713 -5.047 1.00 0.00 H new ATOM 949 N GLN A 63 -11.488 5.342 -7.996 1.00 0.00 N ATOM 950 CA GLN A 63 -12.351 5.185 -9.160 1.00 0.00 C ATOM 951 C GLN A 63 -12.120 6.314 -10.162 1.00 0.00 C ATOM 952 O GLN A 63 -11.175 7.092 -10.027 1.00 0.00 O ATOM 953 CB GLN A 63 -13.819 5.154 -8.731 1.00 0.00 C ATOM 954 CG GLN A 63 -14.310 6.465 -8.139 1.00 0.00 C ATOM 955 CD GLN A 63 -15.816 6.501 -7.970 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.330 6.409 -6.855 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.534 6.634 -9.079 1.00 0.00 N ATOM 0 H GLN A 63 -11.369 6.307 -7.686 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.104 4.240 -9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.435 4.902 -9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.957 4.360 -7.997 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.836 6.622 -7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.001 7.288 -8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.067 6.707 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.552 6.663 -9.027 1.00 0.00 H new ATOM 966 N ALA A 64 -12.987 6.397 -11.167 1.00 0.00 N ATOM 967 CA ALA A 64 -12.875 7.430 -12.191 1.00 0.00 C ATOM 968 C ALA A 64 -12.821 8.822 -11.568 1.00 0.00 C ATOM 969 O ALA A 64 -13.843 9.368 -11.154 1.00 0.00 O ATOM 970 CB ALA A 64 -14.037 7.333 -13.168 1.00 0.00 C ATOM 0 H ALA A 64 -13.775 5.761 -11.294 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.943 7.268 -12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.940 8.110 -13.927 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.028 6.354 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.976 7.465 -12.631 1.00 0.00 H new ATOM 976 N GLY A 65 -11.619 9.389 -11.503 1.00 0.00 N ATOM 977 CA GLY A 65 -11.451 10.710 -10.929 1.00 0.00 C ATOM 978 C GLY A 65 -10.520 10.706 -9.732 1.00 0.00 C ATOM 979 O GLY A 65 -9.877 11.714 -9.433 1.00 0.00 O ATOM 0 H GLY A 65 -10.759 8.955 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.059 11.386 -11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.424 11.099 -10.628 1.00 0.00 H new ATOM 983 N MET A 66 -10.447 9.571 -9.045 1.00 0.00 N ATOM 984 CA MET A 66 -9.588 9.438 -7.874 1.00 0.00 C ATOM 985 C MET A 66 -8.357 8.590 -8.188 1.00 0.00 C ATOM 986 O MET A 66 -7.336 8.686 -7.507 1.00 0.00 O ATOM 987 CB MET A 66 -10.366 8.817 -6.713 1.00 0.00 C ATOM 988 CG MET A 66 -11.069 9.841 -5.837 1.00 0.00 C ATOM 989 SD MET A 66 -10.073 10.348 -4.423 1.00 0.00 S ATOM 990 CE MET A 66 -10.558 12.065 -4.265 1.00 0.00 C ATOM 0 H MET A 66 -10.973 8.729 -9.279 1.00 0.00 H new ATOM 0 HA MET A 66 -9.254 10.435 -7.588 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.106 8.123 -7.112 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.681 8.234 -6.098 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.315 10.718 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.011 9.423 -5.482 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.025 12.518 -3.429 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.313 12.598 -5.184 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.631 12.125 -4.086 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.459 7.761 -9.225 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.352 6.898 -9.626 1.00 0.00 C ATOM 1002 C GLU A 67 -6.086 7.712 -9.878 1.00 0.00 C ATOM 1003 O GLU A 67 -4.972 7.221 -9.690 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.725 6.112 -10.885 1.00 0.00 C ATOM 1005 CG GLU A 67 -7.967 6.992 -12.100 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.545 6.221 -13.272 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -9.759 5.933 -13.251 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -7.782 5.906 -14.209 1.00 0.00 O ATOM 0 H GLU A 67 -9.296 7.669 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.155 6.200 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.927 5.405 -11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.623 5.527 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.648 7.799 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.027 7.455 -12.402 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.263 8.958 -10.305 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.134 9.839 -10.583 1.00 0.00 C ATOM 1017 C LYS A 68 -4.501 10.349 -9.290 1.00 0.00 C ATOM 1018 O LYS A 68 -3.349 10.783 -9.284 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.584 11.021 -11.444 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.141 10.612 -12.798 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.303 11.498 -13.213 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.639 10.865 -12.860 1.00 0.00 C ATOM 1023 NZ LYS A 68 -9.086 9.897 -13.901 1.00 0.00 N ATOM 0 H LYS A 68 -7.177 9.381 -10.466 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.385 9.263 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.344 11.585 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.738 11.691 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.353 10.668 -13.549 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.470 9.574 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.217 12.467 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.258 11.680 -14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.557 10.354 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.391 11.645 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.001 9.487 -13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.189 10.389 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.381 9.138 -13.995 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.257 10.293 -8.198 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.762 10.752 -6.904 1.00 0.00 C ATOM 1039 C GLU A 69 -3.828 9.716 -6.282 1.00 0.00 C ATOM 1040 O GLU A 69 -4.058 8.513 -6.399 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.931 11.038 -5.959 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.328 12.504 -5.909 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.882 13.186 -4.630 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.231 12.687 -3.539 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -5.185 14.218 -4.719 1.00 0.00 O ATOM 0 H GLU A 69 -6.212 9.935 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.200 11.673 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.792 10.447 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.665 10.708 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.894 13.023 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.411 12.587 -6.002 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.754 10.171 -5.611 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.784 9.274 -4.975 1.00 0.00 C ATOM 1054 C PRO A 70 -2.344 8.601 -3.727 1.00 0.00 C ATOM 1055 O PRO A 70 -3.423 8.951 -3.249 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.629 10.206 -4.608 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.263 11.543 -4.439 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.399 11.591 -5.424 1.00 0.00 C ATOM 0 HA PRO A 70 -1.496 8.454 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.135 9.883 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.130 10.223 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.625 11.677 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.546 12.342 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.240 12.167 -5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.097 12.056 -6.362 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.600 7.632 -3.206 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.014 6.901 -2.015 1.00 0.00 C ATOM 1068 C VAL A 71 -2.042 7.812 -0.788 1.00 0.00 C ATOM 1069 O VAL A 71 -1.437 8.884 -0.787 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.082 5.705 -1.735 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.422 4.537 -2.651 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.376 6.110 -1.889 1.00 0.00 C ATOM 0 H VAL A 71 -0.704 7.334 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.020 6.529 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.234 5.385 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.754 3.702 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.454 4.229 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.302 4.843 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.016 5.251 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.551 6.461 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.608 6.909 -1.185 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.748 7.393 0.277 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.858 8.173 1.520 1.00 0.00 C ATOM 1084 C PRO A 72 -1.566 8.179 2.334 1.00 0.00 C ATOM 1085 O PRO A 72 -1.496 8.798 3.396 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.954 7.437 2.291 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.853 6.031 1.816 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.503 6.125 0.359 1.00 0.00 C ATOM 0 HA PRO A 72 -3.071 9.223 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.798 7.506 3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.938 7.858 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.089 5.484 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.793 5.499 1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.902 5.276 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.394 6.145 -0.269 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.552 7.475 1.844 1.00 0.00 N ATOM 1097 CA LEU A 73 0.726 7.386 2.538 1.00 0.00 C ATOM 1098 C LEU A 73 1.747 8.348 1.936 1.00 0.00 C ATOM 1099 O LEU A 73 1.669 8.696 0.759 1.00 0.00 O ATOM 1100 CB LEU A 73 1.245 5.948 2.478 1.00 0.00 C ATOM 1101 CG LEU A 73 0.153 4.876 2.400 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.737 3.540 1.981 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.568 4.755 3.735 1.00 0.00 C ATOM 0 H LEU A 73 -0.591 6.957 0.966 1.00 0.00 H new ATOM 0 HA LEU A 73 0.576 7.671 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.897 5.847 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.857 5.760 3.360 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.571 5.178 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.057 2.795 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.203 3.638 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.485 3.226 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.341 3.990 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.146 4.478 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.027 5.711 3.989 1.00 0.00 H new ATOM 1115 N GLN A 74 2.701 8.779 2.758 1.00 0.00 N ATOM 1116 CA GLN A 74 3.734 9.707 2.311 1.00 0.00 C ATOM 1117 C GLN A 74 5.114 9.279 2.799 1.00 0.00 C ATOM 1118 O GLN A 74 5.261 8.263 3.476 1.00 0.00 O ATOM 1119 CB GLN A 74 3.428 11.120 2.807 1.00 0.00 C ATOM 1120 CG GLN A 74 2.227 11.758 2.128 1.00 0.00 C ATOM 1121 CD GLN A 74 2.334 11.739 0.616 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.394 12.012 0.053 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.232 11.415 -0.051 1.00 0.00 N ATOM 0 H GLN A 74 2.779 8.500 3.736 1.00 0.00 H new ATOM 0 HA GLN A 74 3.738 9.698 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.252 11.088 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.303 11.750 2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.321 11.233 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.127 12.789 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.375 11.196 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.243 11.385 -1.071 1.00 0.00 H new ATOM 1132 N HIS A 75 6.123 10.068 2.445 1.00 0.00 N ATOM 1133 CA HIS A 75 7.499 9.785 2.836 1.00 0.00 C ATOM 1134 C HIS A 75 7.625 9.615 4.346 1.00 0.00 C ATOM 1135 O HIS A 75 7.512 10.581 5.101 1.00 0.00 O ATOM 1136 CB HIS A 75 8.423 10.907 2.361 1.00 0.00 C ATOM 1137 CG HIS A 75 9.870 10.525 2.343 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.353 9.378 2.938 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.943 11.145 1.797 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.661 9.309 2.759 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.043 10.368 2.069 1.00 0.00 N ATOM 0 H HIS A 75 6.012 10.913 1.885 1.00 0.00 H new ATOM 0 HA HIS A 75 7.794 8.848 2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.124 11.212 1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.293 11.773 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.935 12.076 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.307 8.521 3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.000 10.576 1.784 1.00 0.00 H new ATOM 1150 N GLY A 76 7.862 8.382 4.778 1.00 0.00 N ATOM 1151 CA GLY A 76 8.006 8.108 6.194 1.00 0.00 C ATOM 1152 C GLY A 76 6.796 7.409 6.787 1.00 0.00 C ATOM 1153 O GLY A 76 6.681 7.291 8.007 1.00 0.00 O ATOM 0 H GLY A 76 7.957 7.567 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.890 7.489 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.174 9.045 6.725 1.00 0.00 H new ATOM 1157 N ASP A 77 5.891 6.944 5.930 1.00 0.00 N ATOM 1158 CA ASP A 77 4.692 6.256 6.396 1.00 0.00 C ATOM 1159 C ASP A 77 4.951 4.762 6.562 1.00 0.00 C ATOM 1160 O ASP A 77 6.043 4.273 6.271 1.00 0.00 O ATOM 1161 CB ASP A 77 3.534 6.481 5.423 1.00 0.00 C ATOM 1162 CG ASP A 77 2.516 7.470 5.956 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.903 8.621 6.249 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.331 7.094 6.079 1.00 0.00 O ATOM 0 H ASP A 77 5.964 7.030 4.916 1.00 0.00 H new ATOM 0 HA ASP A 77 4.423 6.670 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.926 6.844 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.042 5.530 5.222 1.00 0.00 H new ATOM 1169 N ARG A 78 3.937 4.045 7.028 1.00 0.00 N ATOM 1170 CA ARG A 78 4.041 2.605 7.231 1.00 0.00 C ATOM 1171 C ARG A 78 2.733 1.920 6.872 1.00 0.00 C ATOM 1172 O ARG A 78 1.652 2.468 7.091 1.00 0.00 O ATOM 1173 CB ARG A 78 4.416 2.296 8.683 1.00 0.00 C ATOM 1174 CG ARG A 78 3.636 3.116 9.700 1.00 0.00 C ATOM 1175 CD ARG A 78 4.202 4.519 9.840 1.00 0.00 C ATOM 1176 NE ARG A 78 4.848 4.722 11.134 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.187 4.974 12.262 1.00 0.00 C ATOM 1178 NH1 ARG A 78 2.862 5.056 12.258 1.00 0.00 N ATOM 1179 NH2 ARG A 78 4.852 5.142 13.396 1.00 0.00 N ATOM 0 H ARG A 78 3.029 4.439 7.274 1.00 0.00 H new ATOM 0 HA ARG A 78 4.825 2.223 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.247 1.237 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.482 2.479 8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.591 3.173 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.660 2.615 10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.923 4.700 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.400 5.247 9.717 1.00 0.00 H new ATOM 0 HE ARG A 78 5.866 4.668 11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.346 4.926 11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.360 5.249 13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.870 5.078 13.405 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.346 5.335 14.260 1.00 0.00 H new ATOM 1193 N ILE A 79 2.836 0.726 6.304 1.00 0.00 N ATOM 1194 CA ILE A 79 1.656 -0.020 5.902 1.00 0.00 C ATOM 1195 C ILE A 79 1.837 -1.515 6.109 1.00 0.00 C ATOM 1196 O ILE A 79 2.948 -1.996 6.332 1.00 0.00 O ATOM 1197 CB ILE A 79 1.312 0.234 4.424 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.586 0.403 3.592 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.422 1.457 4.295 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.326 0.553 2.109 1.00 0.00 C ATOM 0 H ILE A 79 3.721 0.257 6.113 1.00 0.00 H new ATOM 0 HA ILE A 79 0.840 0.332 6.533 1.00 0.00 H new ATOM 0 HB ILE A 79 0.771 -0.631 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.129 1.279 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.232 -0.460 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.186 1.626 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.500 1.296 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.941 2.328 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.274 0.668 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.811 -0.333 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.706 1.432 1.935 1.00 0.00 H new ATOM 1212 N THR A 80 0.733 -2.245 6.022 1.00 0.00 N ATOM 1213 CA THR A 80 0.756 -3.690 6.185 1.00 0.00 C ATOM 1214 C THR A 80 -0.023 -4.367 5.067 1.00 0.00 C ATOM 1215 O THR A 80 -1.178 -4.029 4.807 1.00 0.00 O ATOM 1216 CB THR A 80 0.171 -4.089 7.538 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.855 -3.439 8.594 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.233 -5.579 7.795 1.00 0.00 C ATOM 0 H THR A 80 -0.192 -1.857 5.839 1.00 0.00 H new ATOM 0 HA THR A 80 1.795 -4.018 6.140 1.00 0.00 H new ATOM 0 HB THR A 80 -0.875 -3.784 7.504 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.463 -3.707 9.451 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.198 -5.798 8.772 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.330 -6.105 7.024 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.272 -5.909 7.774 1.00 0.00 H new ATOM 1226 N ILE A 81 0.617 -5.322 4.408 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.011 -6.047 3.316 1.00 0.00 C ATOM 1228 C ILE A 81 -0.576 -7.378 3.792 1.00 0.00 C ATOM 1229 O ILE A 81 -0.146 -7.920 4.808 1.00 0.00 O ATOM 1230 CB ILE A 81 0.984 -6.314 2.171 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.761 -5.040 1.834 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.252 -6.839 0.946 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.874 -3.855 1.521 1.00 0.00 C ATOM 0 H ILE A 81 1.573 -5.612 4.612 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.822 -5.418 2.948 1.00 0.00 H new ATOM 0 HB ILE A 81 1.696 -7.073 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.409 -4.787 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.408 -5.235 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.968 -7.023 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.258 -7.769 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.480 -6.102 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.493 -2.988 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.244 -4.089 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.245 -3.634 2.383 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.537 -7.903 3.046 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.152 -9.178 3.386 1.00 0.00 C ATOM 1247 C GLU A 82 -2.373 -10.017 2.132 1.00 0.00 C ATOM 1248 O GLU A 82 -3.124 -9.630 1.237 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.477 -8.959 4.125 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.424 -10.150 4.065 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.626 -9.988 4.975 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.506 -9.161 4.656 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -5.687 -10.688 6.007 1.00 0.00 O ATOM 0 H GLU A 82 -1.908 -7.466 2.202 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.475 -9.718 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.265 -8.729 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.978 -8.088 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.766 -10.286 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.882 -11.054 4.343 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.713 -11.168 2.078 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.838 -12.065 0.941 1.00 0.00 C ATOM 1262 C ILE A 83 -3.258 -12.606 0.831 1.00 0.00 C ATOM 1263 O ILE A 83 -3.699 -13.402 1.659 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.848 -13.245 1.037 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.594 -12.728 1.042 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.064 -14.216 -0.116 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.282 -12.851 2.384 1.00 0.00 C ATOM 0 H ILE A 83 -1.086 -11.500 2.810 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.602 -11.485 0.049 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.029 -13.777 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.170 -13.278 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.596 -11.681 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.358 -15.042 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.082 -14.604 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.907 -13.698 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.298 -12.465 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.731 -12.278 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.313 -13.899 2.682 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.969 -12.160 -0.195 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.343 -12.590 -0.420 1.00 0.00 C ATOM 1281 C LEU A 84 -5.387 -13.972 -1.061 1.00 0.00 C ATOM 1282 O LEU A 84 -4.352 -14.536 -1.419 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.073 -11.575 -1.301 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.911 -10.115 -0.871 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.783 -9.208 -1.723 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.248 -9.953 0.605 1.00 0.00 C ATOM 0 H LEU A 84 -3.616 -11.499 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.844 -12.650 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.713 -11.679 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.135 -11.820 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.871 -9.826 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.655 -8.174 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.493 -9.302 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.828 -9.496 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.127 -8.909 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.279 -10.261 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.579 -10.574 1.201 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.593 -14.516 -1.200 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.773 -15.832 -1.796 1.00 0.00 C ATOM 1300 C LYS A 85 -7.090 -15.715 -3.281 1.00 0.00 C ATOM 1301 O LYS A 85 -8.235 -15.487 -3.668 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.894 -16.590 -1.081 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.707 -18.098 -1.083 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.931 -18.564 0.139 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.441 -18.312 -0.021 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.645 -18.997 1.036 1.00 0.00 N ATOM 0 H LYS A 85 -7.459 -14.064 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.841 -16.386 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.957 -16.242 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.845 -16.350 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.681 -18.587 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.179 -18.399 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.297 -18.044 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.106 -19.628 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.117 -18.660 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.248 -17.240 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.634 -18.800 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.936 -18.647 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.809 -20.023 0.984 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.063 -15.874 -4.105 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.242 -15.786 -5.542 1.00 0.00 C ATOM 1322 C GLY A 86 -7.147 -16.875 -6.084 1.00 0.00 C ATOM 1323 O GLY A 86 -6.814 -18.066 -5.907 1.00 0.00 O ATOM 1324 OXT GLY A 86 -8.189 -16.537 -6.683 1.00 0.00 O ATOM 0 H GLY A 86 -5.107 -16.063 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.661 -14.812 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.270 -15.850 -6.030 1.00 0.00 H new