USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 32 GLN : amide:sc= 1.13 K(o=3.4,f=-2.3!) USER MOD Set 1.2: A 42 THR OG1 : rot -174:sc= 1.33 USER MOD Set 1.3: A 44 THR OG1 : rot 98:sc= 0.914 USER MOD Set 2.1: A 25 TYR OH : rot -140:sc= -0.0898 USER MOD Set 2.2: A 39 ASN : amide:sc= 0.427 K(o=0.34,f=-3.4!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 0.695 (180deg=-0.656) USER MOD Single : A 20 TYR OH : rot 171:sc= 0.54 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 1.26 (180deg=0.761) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 1.01 K(o=1,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 51 ASN : amide:sc= -0.806 K(o=-0.81,f=-9.7!) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.96 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.788 (180deg=0.72) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= 0.429 (180deg=0.115) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 70 MET CE :methyl -135:sc= 0 (180deg=-0.204) USER MOD Single : A 71 MET CE :methyl -142:sc= 0 (180deg=-0.297) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -120:sc= -0.847 USER MOD Single : A 75 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.218 -10.771 1.603 1.00 0.00 N ATOM 71 CA ILE A 6 1.714 -11.747 2.579 1.00 0.00 C ATOM 72 C ILE A 6 1.921 -11.239 4.009 1.00 0.00 C ATOM 73 O ILE A 6 0.952 -11.123 4.754 1.00 0.00 O ATOM 74 CB ILE A 6 2.222 -13.190 2.353 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.103 -14.045 3.642 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.631 -13.294 1.743 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.676 -14.080 4.216 1.00 0.00 C ATOM 0 HA ILE A 6 0.640 -11.831 2.415 1.00 0.00 H new ATOM 0 HB ILE A 6 1.555 -13.601 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.426 -15.063 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.782 -13.649 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.899 -14.344 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.644 -12.802 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.350 -12.810 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.661 -14.694 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.358 -13.067 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.003 -14.504 3.476 1.00 0.00 H new ATOM 89 N LEU A 7 3.139 -10.857 4.393 1.00 0.00 N ATOM 90 CA LEU A 7 3.451 -10.411 5.759 1.00 0.00 C ATOM 91 C LEU A 7 2.922 -9.019 6.159 1.00 0.00 C ATOM 92 O LEU A 7 3.330 -8.431 7.156 1.00 0.00 O ATOM 93 CB LEU A 7 4.951 -10.640 6.034 1.00 0.00 C ATOM 94 CG LEU A 7 5.950 -9.972 5.062 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.867 -8.444 5.029 1.00 0.00 C ATOM 96 CD2 LEU A 7 7.373 -10.341 5.476 1.00 0.00 C ATOM 0 H LEU A 7 3.943 -10.847 3.766 1.00 0.00 H new ATOM 0 HA LEU A 7 2.873 -11.036 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.169 -10.285 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.137 -11.714 6.027 1.00 0.00 H new ATOM 0 HG LEU A 7 5.689 -10.339 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.600 -8.055 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.867 -8.141 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.074 -8.047 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.083 -9.873 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.559 -9.990 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.494 -11.424 5.439 1.00 0.00 H new ATOM 108 N ASP A 8 1.936 -8.566 5.399 1.00 0.00 N ATOM 109 CA ASP A 8 1.237 -7.285 5.466 1.00 0.00 C ATOM 110 C ASP A 8 -0.271 -7.574 5.538 1.00 0.00 C ATOM 111 O ASP A 8 -0.942 -7.157 6.484 1.00 0.00 O ATOM 112 CB ASP A 8 1.677 -6.469 4.241 1.00 0.00 C ATOM 113 CG ASP A 8 0.670 -5.415 3.787 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.509 -4.414 4.512 1.00 0.00 O ATOM 115 OD2 ASP A 8 0.121 -5.612 2.679 1.00 0.00 O ATOM 0 H ASP A 8 1.566 -9.142 4.643 1.00 0.00 H new ATOM 0 HA ASP A 8 1.477 -6.693 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.622 -5.976 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.866 -7.153 3.414 1.00 0.00 H new ATOM 120 N ILE A 9 -0.757 -8.512 4.712 1.00 0.00 N ATOM 121 CA ILE A 9 -2.125 -9.065 4.845 1.00 0.00 C ATOM 122 C ILE A 9 -2.217 -10.150 5.920 1.00 0.00 C ATOM 123 O ILE A 9 -3.229 -10.840 6.031 1.00 0.00 O ATOM 124 CB ILE A 9 -2.710 -9.621 3.524 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.038 -10.915 3.006 1.00 0.00 C ATOM 126 CG2 ILE A 9 -2.761 -8.594 2.394 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.077 -11.897 2.450 1.00 0.00 C ATOM 0 H ILE A 9 -0.224 -8.909 3.938 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.725 -8.205 5.143 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.729 -9.876 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.316 -10.666 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.483 -11.389 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.182 -9.056 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.384 -7.752 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.753 -8.240 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.574 -12.796 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.783 -12.164 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.613 -11.430 1.624 1.00 0.00 H new ATOM 139 N ARG A 10 -1.165 -10.270 6.732 1.00 0.00 N ATOM 140 CA ARG A 10 -0.779 -11.359 7.640 1.00 0.00 C ATOM 141 C ARG A 10 -1.834 -11.957 8.549 1.00 0.00 C ATOM 142 O ARG A 10 -1.521 -12.958 9.183 1.00 0.00 O ATOM 143 CB ARG A 10 0.433 -10.889 8.460 1.00 0.00 C ATOM 144 CG ARG A 10 0.118 -9.839 9.546 1.00 0.00 C ATOM 145 CD ARG A 10 -0.522 -10.428 10.827 1.00 0.00 C ATOM 146 NE ARG A 10 -0.254 -9.618 12.036 1.00 0.00 N ATOM 147 CZ ARG A 10 -0.752 -9.812 13.251 1.00 0.00 C ATOM 148 NH1 ARG A 10 -1.641 -10.730 13.530 1.00 0.00 N ATOM 149 NH2 ARG A 10 -0.349 -9.060 14.242 1.00 0.00 N ATOM 0 H ARG A 10 -0.479 -9.516 6.776 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.560 -12.197 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.889 -11.757 8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.175 -10.473 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.040 -9.324 9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.555 -9.090 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.599 -10.509 10.683 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.144 -11.438 10.983 1.00 0.00 H new ATOM 0 HE ARG A 10 0.380 -8.827 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.988 -11.344 12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.987 -10.832 14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.344 -8.330 14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.728 -9.204 15.178 1.00 0.00 H new ATOM 163 N GLN A 11 -2.981 -11.294 8.698 1.00 0.00 N ATOM 164 CA GLN A 11 -4.082 -11.485 9.645 1.00 0.00 C ATOM 165 C GLN A 11 -3.788 -12.487 10.771 1.00 0.00 C ATOM 166 O GLN A 11 -3.488 -12.087 11.897 1.00 0.00 O ATOM 167 CB GLN A 11 -5.344 -11.825 8.836 1.00 0.00 C ATOM 168 CG GLN A 11 -6.582 -11.901 9.748 1.00 0.00 C ATOM 169 CD GLN A 11 -7.903 -11.778 8.991 1.00 0.00 C ATOM 170 OE1 GLN A 11 -8.110 -10.892 8.185 1.00 0.00 O ATOM 171 NE2 GLN A 11 -8.867 -12.638 9.239 1.00 0.00 N ATOM 0 H GLN A 11 -3.186 -10.510 8.078 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.235 -10.556 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.501 -11.069 8.066 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.206 -12.777 8.324 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.568 -12.848 10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.524 -11.108 10.493 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.719 -13.391 9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.763 -12.552 8.759 1.00 0.00 H new ATOM 180 N GLY A 12 -3.792 -13.777 10.446 1.00 0.00 N ATOM 181 CA GLY A 12 -3.361 -14.850 11.333 1.00 0.00 C ATOM 182 C GLY A 12 -3.987 -16.156 10.848 1.00 0.00 C ATOM 183 O GLY A 12 -4.895 -16.664 11.500 1.00 0.00 O ATOM 0 H GLY A 12 -4.103 -14.112 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.274 -14.928 11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.666 -14.641 12.358 1.00 0.00 H new ATOM 187 N PRO A 13 -3.562 -16.674 9.684 1.00 0.00 N ATOM 188 CA PRO A 13 -4.224 -17.748 8.932 1.00 0.00 C ATOM 189 C PRO A 13 -4.250 -19.161 9.558 1.00 0.00 C ATOM 190 O PRO A 13 -4.458 -20.139 8.845 1.00 0.00 O ATOM 191 CB PRO A 13 -3.555 -17.701 7.558 1.00 0.00 C ATOM 192 CG PRO A 13 -2.140 -17.248 7.892 1.00 0.00 C ATOM 193 CD PRO A 13 -2.396 -16.198 8.953 1.00 0.00 C ATOM 0 HA PRO A 13 -5.298 -17.561 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.564 -18.675 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.056 -17.003 6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.526 -18.067 8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.627 -16.836 7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.536 -16.086 9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.583 -15.222 8.505 1.00 0.00 H new ATOM 201 N LYS A 14 -4.096 -19.284 10.881 1.00 0.00 N ATOM 202 CA LYS A 14 -4.321 -20.526 11.648 1.00 0.00 C ATOM 203 C LYS A 14 -5.660 -21.196 11.286 1.00 0.00 C ATOM 204 O LYS A 14 -5.707 -22.371 10.934 1.00 0.00 O ATOM 205 CB LYS A 14 -4.329 -20.198 13.144 1.00 0.00 C ATOM 206 CG LYS A 14 -3.020 -19.668 13.740 1.00 0.00 C ATOM 207 CD LYS A 14 -3.250 -18.886 15.048 1.00 0.00 C ATOM 208 CE LYS A 14 -3.949 -19.652 16.186 1.00 0.00 C ATOM 209 NZ LYS A 14 -5.425 -19.725 16.035 1.00 0.00 N ATOM 0 H LYS A 14 -3.803 -18.504 11.469 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.516 -21.217 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.109 -19.459 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.610 -21.099 13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.346 -20.503 13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.528 -19.021 13.014 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.284 -18.538 15.413 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.842 -18.000 14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.546 -20.664 16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.713 -19.171 17.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.868 -19.767 16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.764 -18.882 15.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.677 -20.577 15.495 1.00 0.00 H new ATOM 223 N GLU A 15 -6.748 -20.423 11.325 1.00 0.00 N ATOM 224 CA GLU A 15 -8.115 -20.927 11.161 1.00 0.00 C ATOM 225 C GLU A 15 -8.567 -21.106 9.688 1.00 0.00 C ATOM 226 O GLU A 15 -9.136 -22.160 9.375 1.00 0.00 O ATOM 227 CB GLU A 15 -9.099 -20.011 11.923 1.00 0.00 C ATOM 228 CG GLU A 15 -9.170 -20.246 13.441 1.00 0.00 C ATOM 229 CD GLU A 15 -7.836 -19.988 14.151 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.464 -18.830 14.436 1.00 0.00 O ATOM 231 OE2 GLU A 15 -7.091 -20.961 14.383 1.00 0.00 O ATOM 0 H GLU A 15 -6.704 -19.415 11.473 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.120 -21.932 11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.817 -18.973 11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.096 -20.147 11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.934 -19.596 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.483 -21.273 13.630 1.00 0.00 H new ATOM 238 N PRO A 16 -8.374 -20.140 8.767 1.00 0.00 N ATOM 239 CA PRO A 16 -8.836 -20.232 7.375 1.00 0.00 C ATOM 240 C PRO A 16 -7.871 -21.034 6.473 1.00 0.00 C ATOM 241 O PRO A 16 -7.532 -20.573 5.388 1.00 0.00 O ATOM 242 CB PRO A 16 -9.001 -18.764 6.940 1.00 0.00 C ATOM 243 CG PRO A 16 -7.860 -18.072 7.673 1.00 0.00 C ATOM 244 CD PRO A 16 -7.886 -18.786 9.020 1.00 0.00 C ATOM 0 HA PRO A 16 -9.768 -20.789 7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.918 -18.649 5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.972 -18.362 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.907 -18.199 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.028 -17.000 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.891 -18.810 9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.537 -18.265 9.722 1.00 0.00 H new ATOM 252 N PHE A 17 -7.398 -22.216 6.903 1.00 0.00 N ATOM 253 CA PHE A 17 -6.296 -22.967 6.249 1.00 0.00 C ATOM 254 C PHE A 17 -6.335 -22.959 4.717 1.00 0.00 C ATOM 255 O PHE A 17 -5.433 -22.409 4.101 1.00 0.00 O ATOM 256 CB PHE A 17 -6.224 -24.426 6.748 1.00 0.00 C ATOM 257 CG PHE A 17 -4.862 -24.909 7.220 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.174 -24.197 8.221 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.299 -26.097 6.702 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.913 -24.636 8.661 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.043 -26.545 7.156 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.343 -25.801 8.122 1.00 0.00 C ATOM 0 H PHE A 17 -7.771 -22.689 7.726 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.397 -22.425 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.932 -24.542 7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.559 -25.080 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.616 -23.311 8.652 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.834 -26.664 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.381 -24.076 9.416 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.619 -27.457 6.763 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.366 -26.125 8.450 1.00 0.00 H new ATOM 272 N ARG A 18 -7.381 -23.531 4.092 1.00 0.00 N ATOM 273 CA ARG A 18 -7.582 -23.587 2.659 1.00 0.00 C ATOM 274 C ARG A 18 -7.976 -22.206 2.102 1.00 0.00 C ATOM 275 O ARG A 18 -7.504 -21.801 1.042 1.00 0.00 O ATOM 276 CB ARG A 18 -8.554 -24.747 2.401 1.00 0.00 C ATOM 277 CG ARG A 18 -10.027 -24.449 2.700 1.00 0.00 C ATOM 278 CD ARG A 18 -10.568 -23.753 1.462 1.00 0.00 C ATOM 279 NE ARG A 18 -11.968 -23.361 1.572 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.743 -23.013 0.572 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.475 -23.351 -0.662 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.777 -22.271 0.829 1.00 0.00 N ATOM 0 H ARG A 18 -8.135 -23.983 4.609 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.672 -23.805 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.466 -25.047 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.244 -25.600 3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.578 -25.367 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.127 -23.814 3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.967 -22.866 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.452 -24.416 0.604 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.380 -23.357 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.642 -23.902 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.099 -23.064 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.967 -21.976 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.399 -21.984 0.073 1.00 0.00 H new ATOM 296 N ASP A 19 -8.863 -21.506 2.820 1.00 0.00 N ATOM 297 CA ASP A 19 -9.518 -20.253 2.399 1.00 0.00 C ATOM 298 C ASP A 19 -8.512 -19.097 2.258 1.00 0.00 C ATOM 299 O ASP A 19 -8.778 -18.094 1.596 1.00 0.00 O ATOM 300 CB ASP A 19 -10.639 -19.879 3.397 1.00 0.00 C ATOM 301 CG ASP A 19 -11.539 -21.059 3.785 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.096 -21.867 4.633 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.603 -21.258 3.152 1.00 0.00 O ATOM 0 H ASP A 19 -9.159 -21.806 3.749 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.955 -20.421 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.187 -19.466 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.254 -19.093 2.960 1.00 0.00 H new ATOM 308 N TYR A 20 -7.333 -19.289 2.848 1.00 0.00 N ATOM 309 CA TYR A 20 -6.205 -18.353 2.881 1.00 0.00 C ATOM 310 C TYR A 20 -4.936 -18.938 2.237 1.00 0.00 C ATOM 311 O TYR A 20 -4.247 -18.193 1.544 1.00 0.00 O ATOM 312 CB TYR A 20 -5.963 -17.842 4.306 1.00 0.00 C ATOM 313 CG TYR A 20 -5.008 -16.657 4.436 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.615 -16.859 4.337 1.00 0.00 C ATOM 315 CD2 TYR A 20 -5.493 -15.366 4.750 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.716 -15.816 4.631 1.00 0.00 C ATOM 317 CE2 TYR A 20 -4.596 -14.326 5.065 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.208 -14.559 5.040 1.00 0.00 C ATOM 319 OH TYR A 20 -2.359 -13.584 5.450 1.00 0.00 O ATOM 0 H TYR A 20 -7.125 -20.154 3.347 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.473 -17.493 2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.923 -17.559 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.574 -18.665 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.235 -17.823 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.556 -15.176 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.652 -15.978 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.974 -13.349 5.326 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.852 -12.743 5.553 1.00 0.00 H new ATOM 329 N VAL A 21 -4.626 -20.242 2.346 1.00 0.00 N ATOM 330 CA VAL A 21 -3.477 -20.838 1.620 1.00 0.00 C ATOM 331 C VAL A 21 -3.525 -20.593 0.128 1.00 0.00 C ATOM 332 O VAL A 21 -2.503 -20.204 -0.422 1.00 0.00 O ATOM 333 CB VAL A 21 -3.278 -22.342 1.853 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.430 -23.233 1.430 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.052 -22.886 1.145 1.00 0.00 C ATOM 0 H VAL A 21 -5.146 -20.903 2.923 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.626 -20.314 2.055 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.180 -22.383 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.182 -24.273 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.327 -22.955 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.611 -23.112 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.960 -23.954 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.150 -22.725 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.163 -22.371 1.509 1.00 0.00 H new ATOM 345 N ASP A 22 -4.671 -20.750 -0.533 1.00 0.00 N ATOM 346 CA ASP A 22 -4.770 -20.495 -1.981 1.00 0.00 C ATOM 347 C ASP A 22 -4.257 -19.100 -2.353 1.00 0.00 C ATOM 348 O ASP A 22 -3.569 -18.867 -3.346 1.00 0.00 O ATOM 349 CB ASP A 22 -6.247 -20.613 -2.376 1.00 0.00 C ATOM 350 CG ASP A 22 -6.549 -21.522 -3.568 1.00 0.00 C ATOM 351 OD1 ASP A 22 -5.814 -22.521 -3.769 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.543 -21.180 -4.253 1.00 0.00 O ATOM 0 H ASP A 22 -5.543 -21.051 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.153 -21.221 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.805 -20.979 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.624 -19.615 -2.600 1.00 0.00 H new ATOM 357 N ARG A 23 -4.610 -18.167 -1.473 1.00 0.00 N ATOM 358 CA ARG A 23 -4.362 -16.726 -1.574 1.00 0.00 C ATOM 359 C ARG A 23 -2.927 -16.374 -1.196 1.00 0.00 C ATOM 360 O ARG A 23 -2.394 -15.414 -1.743 1.00 0.00 O ATOM 361 CB ARG A 23 -5.376 -15.919 -0.725 1.00 0.00 C ATOM 362 CG ARG A 23 -6.678 -16.647 -0.352 1.00 0.00 C ATOM 363 CD ARG A 23 -7.454 -17.181 -1.550 1.00 0.00 C ATOM 364 NE ARG A 23 -8.482 -16.251 -2.009 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.269 -16.488 -3.045 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.103 -17.533 -3.819 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.229 -15.656 -3.341 1.00 0.00 N ATOM 0 H ARG A 23 -5.108 -18.409 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.503 -16.447 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.882 -15.608 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.635 -15.012 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.440 -17.477 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.317 -15.963 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.761 -17.384 -2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.920 -18.130 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.599 -15.373 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.349 -18.193 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.728 -17.686 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.374 -14.821 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.835 -15.840 -4.140 1.00 0.00 H new ATOM 381 N PHE A 24 -2.304 -17.153 -0.313 1.00 0.00 N ATOM 382 CA PHE A 24 -0.899 -17.033 0.056 1.00 0.00 C ATOM 383 C PHE A 24 0.046 -17.716 -0.954 1.00 0.00 C ATOM 384 O PHE A 24 0.887 -17.029 -1.538 1.00 0.00 O ATOM 385 CB PHE A 24 -0.765 -17.612 1.465 1.00 0.00 C ATOM 386 CG PHE A 24 0.650 -17.881 1.913 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.639 -16.894 1.813 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.983 -19.142 2.424 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.950 -17.170 2.237 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.283 -19.407 2.867 1.00 0.00 C ATOM 391 CZ PHE A 24 3.291 -18.419 2.768 1.00 0.00 C ATOM 0 H PHE A 24 -2.781 -17.908 0.180 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.594 -15.987 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.228 -16.922 2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.329 -18.544 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.394 -15.922 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.231 -19.915 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.707 -16.405 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.519 -20.373 3.288 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.300 -18.624 3.095 1.00 0.00 H new ATOM 401 N TYR A 25 -0.125 -19.022 -1.220 1.00 0.00 N ATOM 402 CA TYR A 25 0.612 -19.774 -2.249 1.00 0.00 C ATOM 403 C TYR A 25 0.590 -19.055 -3.610 1.00 0.00 C ATOM 404 O TYR A 25 1.639 -18.989 -4.246 1.00 0.00 O ATOM 405 CB TYR A 25 0.147 -21.246 -2.342 1.00 0.00 C ATOM 406 CG TYR A 25 0.907 -22.300 -1.521 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.594 -21.998 -0.322 1.00 0.00 C ATOM 408 CD2 TYR A 25 0.920 -23.633 -1.989 1.00 0.00 C ATOM 409 CE1 TYR A 25 2.258 -23.021 0.397 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.570 -24.658 -1.269 1.00 0.00 C ATOM 411 CZ TYR A 25 2.225 -24.359 -0.059 1.00 0.00 C ATOM 412 OH TYR A 25 2.776 -25.383 0.650 1.00 0.00 O ATOM 0 H TYR A 25 -0.796 -19.598 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 25 1.655 -19.807 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.901 -21.284 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.192 -21.544 -3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.612 -20.983 0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.422 -23.873 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.795 -22.777 1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.565 -25.670 -1.646 1.00 0.00 H new ATOM 0 HH TYR A 25 3.223 -26.002 0.036 1.00 0.00 H new ATOM 422 N LYS A 26 -0.521 -18.406 -4.007 1.00 0.00 N ATOM 423 CA LYS A 26 -0.652 -17.507 -5.179 1.00 0.00 C ATOM 424 C LYS A 26 0.474 -16.472 -5.364 1.00 0.00 C ATOM 425 O LYS A 26 0.700 -16.050 -6.507 1.00 0.00 O ATOM 426 CB LYS A 26 -2.074 -16.896 -5.131 1.00 0.00 C ATOM 427 CG LYS A 26 -2.387 -15.601 -5.907 1.00 0.00 C ATOM 428 CD LYS A 26 -2.044 -14.337 -5.096 1.00 0.00 C ATOM 429 CE LYS A 26 -2.582 -13.042 -5.718 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.867 -12.658 -6.961 1.00 0.00 N ATOM 0 H LYS A 26 -1.399 -18.496 -3.495 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.524 -18.101 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.766 -17.660 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.311 -16.711 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.825 -15.595 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.444 -15.585 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.448 -14.441 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.961 -14.261 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.643 -13.164 -5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.498 -12.234 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.272 -11.777 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.859 -12.513 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.968 -13.414 -7.668 1.00 0.00 H new ATOM 444 N THR A 27 1.158 -16.071 -4.293 1.00 0.00 N ATOM 445 CA THR A 27 2.244 -15.075 -4.249 1.00 0.00 C ATOM 446 C THR A 27 3.539 -15.661 -3.704 1.00 0.00 C ATOM 447 O THR A 27 4.553 -15.552 -4.385 1.00 0.00 O ATOM 448 CB THR A 27 1.849 -13.859 -3.382 1.00 0.00 C ATOM 449 OG1 THR A 27 0.630 -14.082 -2.705 1.00 0.00 O ATOM 450 CG2 THR A 27 1.611 -12.655 -4.281 1.00 0.00 C ATOM 0 H THR A 27 0.960 -16.455 -3.369 1.00 0.00 H new ATOM 0 HA THR A 27 2.408 -14.758 -5.279 1.00 0.00 H new ATOM 0 HB THR A 27 2.658 -13.696 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.408 -13.296 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.332 -11.795 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.523 -12.428 -4.834 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.807 -12.878 -4.983 1.00 0.00 H new ATOM 458 N LEU A 28 3.482 -16.361 -2.567 1.00 0.00 N ATOM 459 CA LEU A 28 4.588 -17.092 -1.930 1.00 0.00 C ATOM 460 C LEU A 28 5.506 -17.806 -2.939 1.00 0.00 C ATOM 461 O LEU A 28 6.732 -17.665 -2.922 1.00 0.00 O ATOM 462 CB LEU A 28 3.927 -18.049 -0.932 1.00 0.00 C ATOM 463 CG LEU A 28 4.839 -18.934 -0.083 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.391 -20.152 -0.811 1.00 0.00 C ATOM 465 CD2 LEU A 28 5.930 -18.129 0.619 1.00 0.00 C ATOM 0 H LEU A 28 2.615 -16.439 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 28 5.268 -16.407 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.312 -17.455 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.252 -18.700 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 28 4.191 -19.347 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.027 -20.723 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.566 -20.779 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.976 -19.827 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.553 -18.800 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.545 -17.624 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.471 -17.388 1.274 1.00 0.00 H new ATOM 477 N ARG A 29 4.897 -18.537 -3.882 1.00 0.00 N ATOM 478 CA ARG A 29 5.605 -19.331 -4.898 1.00 0.00 C ATOM 479 C ARG A 29 6.494 -18.540 -5.862 1.00 0.00 C ATOM 480 O ARG A 29 7.207 -19.176 -6.626 1.00 0.00 O ATOM 481 CB ARG A 29 4.608 -20.221 -5.662 1.00 0.00 C ATOM 482 CG ARG A 29 3.536 -19.450 -6.447 1.00 0.00 C ATOM 483 CD ARG A 29 3.857 -19.057 -7.892 1.00 0.00 C ATOM 484 NE ARG A 29 2.751 -18.224 -8.413 1.00 0.00 N ATOM 485 CZ ARG A 29 1.538 -18.649 -8.721 1.00 0.00 C ATOM 486 NH1 ARG A 29 1.273 -19.910 -8.909 1.00 0.00 N ATOM 487 NH2 ARG A 29 0.547 -17.805 -8.799 1.00 0.00 N ATOM 0 H ARG A 29 3.882 -18.595 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 29 6.310 -19.946 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.163 -20.854 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.114 -20.883 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.629 -20.054 -6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.306 -18.539 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.797 -18.507 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.981 -19.948 -8.507 1.00 0.00 H new ATOM 0 HE ARG A 29 2.942 -17.231 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.014 -20.606 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.325 -20.202 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.707 -16.813 -8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.388 -18.137 -9.037 1.00 0.00 H new ATOM 501 N ALA A 30 6.432 -17.209 -5.891 1.00 0.00 N ATOM 502 CA ALA A 30 7.350 -16.405 -6.699 1.00 0.00 C ATOM 503 C ALA A 30 8.744 -16.258 -6.058 1.00 0.00 C ATOM 504 O ALA A 30 9.712 -15.998 -6.767 1.00 0.00 O ATOM 505 CB ALA A 30 6.704 -15.035 -6.949 1.00 0.00 C ATOM 0 H ALA A 30 5.753 -16.662 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 30 7.519 -16.920 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.374 -14.421 -7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.761 -15.169 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.517 -14.541 -5.995 1.00 0.00 H new ATOM 511 N GLU A 31 8.856 -16.473 -4.744 1.00 0.00 N ATOM 512 CA GLU A 31 10.133 -16.505 -4.024 1.00 0.00 C ATOM 513 C GLU A 31 10.540 -17.947 -3.709 1.00 0.00 C ATOM 514 O GLU A 31 11.700 -18.325 -3.845 1.00 0.00 O ATOM 515 CB GLU A 31 9.980 -15.780 -2.680 1.00 0.00 C ATOM 516 CG GLU A 31 9.396 -14.364 -2.770 1.00 0.00 C ATOM 517 CD GLU A 31 9.164 -13.774 -1.378 1.00 0.00 C ATOM 518 OE1 GLU A 31 8.695 -14.535 -0.496 1.00 0.00 O ATOM 519 OE2 GLU A 31 9.417 -12.554 -1.223 1.00 0.00 O ATOM 0 H GLU A 31 8.049 -16.632 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 31 10.884 -16.028 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.341 -16.380 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.958 -15.724 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.075 -13.722 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.455 -14.390 -3.319 1.00 0.00 H new ATOM 526 N GLN A 32 9.566 -18.763 -3.295 1.00 0.00 N ATOM 527 CA GLN A 32 9.790 -20.091 -2.733 1.00 0.00 C ATOM 528 C GLN A 32 8.728 -21.062 -3.259 1.00 0.00 C ATOM 529 O GLN A 32 7.792 -21.426 -2.557 1.00 0.00 O ATOM 530 CB GLN A 32 9.945 -19.999 -1.191 1.00 0.00 C ATOM 531 CG GLN A 32 8.892 -19.189 -0.396 1.00 0.00 C ATOM 532 CD GLN A 32 9.478 -18.536 0.857 1.00 0.00 C ATOM 533 OE1 GLN A 32 9.827 -19.214 1.816 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.582 -17.220 0.918 1.00 0.00 N ATOM 0 H GLN A 32 8.579 -18.510 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 32 10.736 -20.516 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.951 -21.015 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.924 -19.569 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.470 -18.418 -1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.073 -19.848 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.294 -16.648 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.951 -16.776 1.759 1.00 0.00 H new ATOM 543 N ALA A 33 8.847 -21.433 -4.541 1.00 0.00 N ATOM 544 CA ALA A 33 7.926 -22.277 -5.330 1.00 0.00 C ATOM 545 C ALA A 33 7.666 -23.721 -4.810 1.00 0.00 C ATOM 546 O ALA A 33 7.144 -24.570 -5.532 1.00 0.00 O ATOM 547 CB ALA A 33 8.429 -22.258 -6.783 1.00 0.00 C ATOM 0 H ALA A 33 9.646 -21.132 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 33 6.932 -21.840 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.775 -22.871 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.426 -21.234 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.443 -22.655 -6.822 1.00 0.00 H new ATOM 553 N SER A 34 8.015 -24.005 -3.557 1.00 0.00 N ATOM 554 CA SER A 34 7.930 -25.277 -2.832 1.00 0.00 C ATOM 555 C SER A 34 6.500 -25.736 -2.491 1.00 0.00 C ATOM 556 O SER A 34 6.237 -26.134 -1.364 1.00 0.00 O ATOM 557 CB SER A 34 8.746 -25.155 -1.539 1.00 0.00 C ATOM 558 OG SER A 34 10.051 -24.677 -1.807 1.00 0.00 O ATOM 0 H SER A 34 8.405 -23.276 -2.960 1.00 0.00 H new ATOM 0 HA SER A 34 8.328 -26.039 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.242 -24.479 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.804 -26.127 -1.048 1.00 0.00 H new ATOM 0 HG SER A 34 10.552 -24.606 -0.968 1.00 0.00 H new ATOM 564 N GLN A 35 5.569 -25.703 -3.451 1.00 0.00 N ATOM 565 CA GLN A 35 4.152 -26.111 -3.316 1.00 0.00 C ATOM 566 C GLN A 35 3.929 -27.555 -2.788 1.00 0.00 C ATOM 567 O GLN A 35 2.846 -27.915 -2.327 1.00 0.00 O ATOM 568 CB GLN A 35 3.526 -25.943 -4.715 1.00 0.00 C ATOM 569 CG GLN A 35 1.999 -26.100 -4.803 1.00 0.00 C ATOM 570 CD GLN A 35 1.533 -26.186 -6.255 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.722 -25.276 -7.049 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.926 -27.283 -6.663 1.00 0.00 N ATOM 0 H GLN A 35 5.786 -25.376 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 35 3.683 -25.484 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.790 -24.955 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.984 -26.672 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.692 -26.998 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.515 -25.255 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.763 -28.049 -6.009 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.620 -27.366 -7.632 1.00 0.00 H new ATOM 581 N GLU A 36 4.952 -28.392 -2.923 1.00 0.00 N ATOM 582 CA GLU A 36 5.046 -29.754 -2.412 1.00 0.00 C ATOM 583 C GLU A 36 5.205 -29.804 -0.874 1.00 0.00 C ATOM 584 O GLU A 36 5.347 -28.798 -0.190 1.00 0.00 O ATOM 585 CB GLU A 36 6.272 -30.352 -3.135 1.00 0.00 C ATOM 586 CG GLU A 36 6.330 -31.877 -3.121 1.00 0.00 C ATOM 587 CD GLU A 36 7.646 -32.421 -3.679 1.00 0.00 C ATOM 588 OE1 GLU A 36 8.233 -31.856 -4.626 1.00 0.00 O ATOM 589 OE2 GLU A 36 8.205 -33.346 -3.044 1.00 0.00 O ATOM 0 H GLU A 36 5.795 -28.117 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 36 4.133 -30.318 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.271 -30.010 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.178 -29.962 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.199 -32.232 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.500 -32.274 -3.706 1.00 0.00 H new ATOM 596 N VAL A 37 5.265 -31.015 -0.313 1.00 0.00 N ATOM 597 CA VAL A 37 5.703 -31.279 1.078 1.00 0.00 C ATOM 598 C VAL A 37 7.054 -30.623 1.415 1.00 0.00 C ATOM 599 O VAL A 37 7.333 -30.327 2.571 1.00 0.00 O ATOM 600 CB VAL A 37 5.745 -32.797 1.328 1.00 0.00 C ATOM 601 CG1 VAL A 37 6.963 -33.521 0.737 1.00 0.00 C ATOM 602 CG2 VAL A 37 5.653 -33.135 2.818 1.00 0.00 C ATOM 0 H VAL A 37 5.007 -31.864 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 37 4.973 -30.821 1.745 1.00 0.00 H new ATOM 0 HB VAL A 37 4.866 -33.163 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.901 -34.585 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.979 -33.383 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.876 -33.110 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.686 -34.217 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.490 -32.680 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.717 -32.750 3.221 1.00 0.00 H new ATOM 612 N LYS A 38 7.860 -30.354 0.377 1.00 0.00 N ATOM 613 CA LYS A 38 9.083 -29.515 0.415 1.00 0.00 C ATOM 614 C LYS A 38 8.880 -28.059 0.922 1.00 0.00 C ATOM 615 O LYS A 38 9.839 -27.284 0.895 1.00 0.00 O ATOM 616 CB LYS A 38 9.754 -29.488 -0.972 1.00 0.00 C ATOM 617 CG LYS A 38 10.253 -30.852 -1.475 1.00 0.00 C ATOM 618 CD LYS A 38 10.998 -30.660 -2.808 1.00 0.00 C ATOM 619 CE LYS A 38 11.634 -31.944 -3.359 1.00 0.00 C ATOM 620 NZ LYS A 38 10.629 -32.846 -3.964 1.00 0.00 N ATOM 0 H LYS A 38 7.676 -30.727 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 38 9.724 -29.994 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.044 -29.088 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.598 -28.799 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.915 -31.305 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.412 -31.533 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.302 -30.265 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.777 -29.910 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.385 -31.685 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.152 -32.466 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.113 -33.595 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.051 -33.275 -3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.017 -32.303 -4.605 1.00 0.00 H new ATOM 634 N ASN A 39 7.664 -27.661 1.306 1.00 0.00 N ATOM 635 CA ASN A 39 7.344 -26.410 2.000 1.00 0.00 C ATOM 636 C ASN A 39 8.240 -26.162 3.252 1.00 0.00 C ATOM 637 O ASN A 39 8.931 -27.069 3.717 1.00 0.00 O ATOM 638 CB ASN A 39 5.834 -26.435 2.267 1.00 0.00 C ATOM 639 CG ASN A 39 5.270 -25.065 2.534 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.828 -24.035 2.191 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.123 -25.035 3.151 1.00 0.00 N ATOM 0 H ASN A 39 6.835 -28.230 1.133 1.00 0.00 H new ATOM 0 HA ASN A 39 7.578 -25.541 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.324 -26.873 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.631 -27.080 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.677 -24.141 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.671 -25.906 3.430 1.00 0.00 H new ATOM 648 N ALA A 40 8.240 -24.952 3.832 1.00 0.00 N ATOM 649 CA ALA A 40 9.259 -24.540 4.823 1.00 0.00 C ATOM 650 C ALA A 40 8.729 -23.922 6.142 1.00 0.00 C ATOM 651 O ALA A 40 7.530 -23.942 6.418 1.00 0.00 O ATOM 652 CB ALA A 40 10.230 -23.601 4.085 1.00 0.00 C ATOM 0 H ALA A 40 7.543 -24.234 3.633 1.00 0.00 H new ATOM 0 HA ALA A 40 9.752 -25.440 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.006 -23.266 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.689 -24.134 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.684 -22.737 3.706 1.00 0.00 H new ATOM 658 N MET A 41 9.639 -23.344 6.939 1.00 0.00 N ATOM 659 CA MET A 41 9.403 -22.678 8.237 1.00 0.00 C ATOM 660 C MET A 41 9.327 -21.130 8.152 1.00 0.00 C ATOM 661 O MET A 41 9.497 -20.423 9.144 1.00 0.00 O ATOM 662 CB MET A 41 10.445 -23.175 9.262 1.00 0.00 C ATOM 663 CG MET A 41 11.886 -23.293 8.734 1.00 0.00 C ATOM 664 SD MET A 41 12.514 -21.909 7.737 1.00 0.00 S ATOM 665 CE MET A 41 14.190 -22.505 7.402 1.00 0.00 C ATOM 0 H MET A 41 10.626 -23.326 6.681 1.00 0.00 H new ATOM 0 HA MET A 41 8.408 -22.963 8.578 1.00 0.00 H new ATOM 0 HB2 MET A 41 10.443 -22.496 10.115 1.00 0.00 H new ATOM 0 HB3 MET A 41 10.130 -24.151 9.631 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.550 -23.424 9.588 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.954 -24.201 8.135 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.722 -21.772 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.720 -22.650 8.344 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.139 -23.452 6.865 1.00 0.00 H new ATOM 675 N THR A 42 9.116 -20.596 6.949 1.00 0.00 N ATOM 676 CA THR A 42 8.754 -19.201 6.641 1.00 0.00 C ATOM 677 C THR A 42 7.301 -18.916 7.074 1.00 0.00 C ATOM 678 O THR A 42 6.682 -19.688 7.809 1.00 0.00 O ATOM 679 CB THR A 42 8.887 -18.957 5.105 1.00 0.00 C ATOM 680 OG1 THR A 42 9.534 -20.019 4.425 1.00 0.00 O ATOM 681 CG2 THR A 42 9.795 -17.759 4.864 1.00 0.00 C ATOM 0 H THR A 42 9.197 -21.160 6.103 1.00 0.00 H new ATOM 0 HA THR A 42 9.425 -18.536 7.184 1.00 0.00 H new ATOM 0 HB THR A 42 7.867 -18.832 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.674 -19.770 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.891 -17.585 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.366 -16.876 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.779 -17.957 5.289 1.00 0.00 H new ATOM 689 N GLU A 43 6.677 -17.839 6.581 1.00 0.00 N ATOM 690 CA GLU A 43 5.211 -17.667 6.673 1.00 0.00 C ATOM 691 C GLU A 43 4.402 -18.735 5.899 1.00 0.00 C ATOM 692 O GLU A 43 3.184 -18.690 5.853 1.00 0.00 O ATOM 693 CB GLU A 43 4.805 -16.296 6.152 1.00 0.00 C ATOM 694 CG GLU A 43 5.281 -16.031 4.719 1.00 0.00 C ATOM 695 CD GLU A 43 6.416 -15.020 4.742 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.520 -15.464 5.131 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.138 -13.833 4.459 1.00 0.00 O ATOM 0 H GLU A 43 7.159 -17.071 6.114 1.00 0.00 H new ATOM 0 HA GLU A 43 4.975 -17.777 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.719 -16.207 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.211 -15.529 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.616 -16.960 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.456 -15.654 4.114 1.00 0.00 H new ATOM 704 N THR A 44 5.088 -19.688 5.287 1.00 0.00 N ATOM 705 CA THR A 44 4.715 -20.954 4.638 1.00 0.00 C ATOM 706 C THR A 44 3.674 -21.865 5.325 1.00 0.00 C ATOM 707 O THR A 44 3.442 -22.962 4.838 1.00 0.00 O ATOM 708 CB THR A 44 6.009 -21.728 4.362 1.00 0.00 C ATOM 709 OG1 THR A 44 6.908 -21.604 5.419 1.00 0.00 O ATOM 710 CG2 THR A 44 6.708 -21.196 3.114 1.00 0.00 C ATOM 0 H THR A 44 6.099 -19.574 5.220 1.00 0.00 H new ATOM 0 HA THR A 44 4.175 -20.656 3.739 1.00 0.00 H new ATOM 0 HB THR A 44 5.722 -22.771 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.845 -22.394 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.623 -21.762 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.047 -21.302 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.954 -20.143 3.255 1.00 0.00 H new ATOM 718 N LEU A 45 3.003 -21.439 6.397 1.00 0.00 N ATOM 719 CA LEU A 45 2.154 -22.217 7.326 1.00 0.00 C ATOM 720 C LEU A 45 1.098 -23.243 6.817 1.00 0.00 C ATOM 721 O LEU A 45 0.541 -23.955 7.648 1.00 0.00 O ATOM 722 CB LEU A 45 1.544 -21.289 8.409 1.00 0.00 C ATOM 723 CG LEU A 45 1.417 -19.766 8.185 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.601 -19.300 6.968 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.760 -19.171 9.430 1.00 0.00 C ATOM 0 H LEU A 45 3.037 -20.456 6.668 1.00 0.00 H new ATOM 0 HA LEU A 45 2.899 -22.914 7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.542 -21.663 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.134 -21.428 9.315 1.00 0.00 H new ATOM 0 HG LEU A 45 2.434 -19.426 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.593 -18.211 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.052 -19.691 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.422 -19.667 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.654 -18.093 9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.224 -19.618 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.380 -19.377 10.302 1.00 0.00 H new ATOM 737 N LEU A 46 0.776 -23.347 5.528 1.00 0.00 N ATOM 738 CA LEU A 46 -0.294 -24.210 4.991 1.00 0.00 C ATOM 739 C LEU A 46 -0.070 -24.580 3.510 1.00 0.00 C ATOM 740 O LEU A 46 0.775 -23.983 2.852 1.00 0.00 O ATOM 741 CB LEU A 46 -1.706 -23.611 5.240 1.00 0.00 C ATOM 742 CG LEU A 46 -1.988 -22.089 5.248 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.065 -21.536 6.658 1.00 0.00 C ATOM 744 CD2 LEU A 46 -1.086 -21.218 4.366 1.00 0.00 C ATOM 0 H LEU A 46 1.262 -22.821 4.802 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.245 -25.145 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.363 -24.043 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.037 -23.992 6.206 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.967 -22.020 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.264 -20.465 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.868 -22.035 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.118 -21.710 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.385 -20.174 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.049 -21.329 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.182 -21.531 3.326 1.00 0.00 H new ATOM 756 N VAL A 47 -0.832 -25.557 2.989 1.00 0.00 N ATOM 757 CA VAL A 47 -0.654 -26.233 1.687 1.00 0.00 C ATOM 758 C VAL A 47 -2.010 -26.387 0.969 1.00 0.00 C ATOM 759 O VAL A 47 -2.983 -26.846 1.569 1.00 0.00 O ATOM 760 CB VAL A 47 -0.040 -27.637 1.910 1.00 0.00 C ATOM 761 CG1 VAL A 47 0.422 -28.273 0.595 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.155 -27.622 2.865 1.00 0.00 C ATOM 0 H VAL A 47 -1.640 -25.920 3.495 1.00 0.00 H new ATOM 0 HA VAL A 47 0.011 -25.628 1.071 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.844 -28.225 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.846 -29.257 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.429 -28.376 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.178 -27.640 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.541 -28.635 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.937 -26.980 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.840 -27.241 3.836 1.00 0.00 H new ATOM 772 N GLN A 48 -2.087 -26.009 -0.315 1.00 0.00 N ATOM 773 CA GLN A 48 -3.307 -26.103 -1.151 1.00 0.00 C ATOM 774 C GLN A 48 -3.945 -27.509 -1.165 1.00 0.00 C ATOM 775 O GLN A 48 -5.164 -27.655 -1.161 1.00 0.00 O ATOM 776 CB GLN A 48 -2.995 -25.675 -2.595 1.00 0.00 C ATOM 777 CG GLN A 48 -2.831 -24.156 -2.713 1.00 0.00 C ATOM 778 CD GLN A 48 -2.491 -23.732 -4.141 1.00 0.00 C ATOM 779 OE1 GLN A 48 -1.338 -23.730 -4.546 1.00 0.00 O ATOM 780 NE2 GLN A 48 -3.452 -23.366 -4.959 1.00 0.00 N ATOM 0 H GLN A 48 -1.289 -25.620 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.033 -25.429 -0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.082 -26.167 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.797 -26.007 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.752 -23.665 -2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.044 -23.822 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.420 -23.361 -4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.230 -23.087 -5.914 1.00 0.00 H new ATOM 789 N ASN A 49 -3.091 -28.534 -1.112 1.00 0.00 N ATOM 790 CA ASN A 49 -3.381 -29.971 -1.015 1.00 0.00 C ATOM 791 C ASN A 49 -4.110 -30.410 0.288 1.00 0.00 C ATOM 792 O ASN A 49 -4.219 -31.601 0.573 1.00 0.00 O ATOM 793 CB ASN A 49 -2.015 -30.669 -1.176 1.00 0.00 C ATOM 794 CG ASN A 49 -2.103 -32.168 -1.370 1.00 0.00 C ATOM 795 OD1 ASN A 49 -2.581 -32.675 -2.367 1.00 0.00 O ATOM 796 ND2 ASN A 49 -1.594 -32.923 -0.429 1.00 0.00 N ATOM 0 H ASN A 49 -2.085 -28.366 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.094 -30.254 -1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.495 -30.233 -2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.408 -30.463 -0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.598 -33.938 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.194 -32.496 0.406 1.00 0.00 H new ATOM 803 N ALA A 50 -4.558 -29.478 1.135 1.00 0.00 N ATOM 804 CA ALA A 50 -5.216 -29.779 2.403 1.00 0.00 C ATOM 805 C ALA A 50 -6.555 -30.517 2.201 1.00 0.00 C ATOM 806 O ALA A 50 -7.437 -30.097 1.441 1.00 0.00 O ATOM 807 CB ALA A 50 -5.380 -28.480 3.198 1.00 0.00 C ATOM 0 H ALA A 50 -4.471 -28.478 0.953 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.591 -30.465 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.871 -28.694 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.400 -28.043 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.987 -27.778 2.626 1.00 0.00 H new ATOM 813 N ASN A 51 -6.755 -31.580 2.979 1.00 0.00 N ATOM 814 CA ASN A 51 -7.843 -32.565 2.849 1.00 0.00 C ATOM 815 C ASN A 51 -8.979 -32.200 3.847 1.00 0.00 C ATOM 816 O ASN A 51 -8.857 -31.145 4.471 1.00 0.00 O ATOM 817 CB ASN A 51 -7.207 -33.968 3.019 1.00 0.00 C ATOM 818 CG ASN A 51 -6.971 -34.371 4.464 1.00 0.00 C ATOM 819 OD1 ASN A 51 -7.057 -33.563 5.366 1.00 0.00 O ATOM 820 ND2 ASN A 51 -6.721 -35.628 4.736 1.00 0.00 N ATOM 0 H ASN A 51 -6.134 -31.794 3.759 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.329 -32.563 1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.854 -34.708 2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.256 -33.991 2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.599 -35.926 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.648 -36.309 3.980 1.00 0.00 H new ATOM 827 N PRO A 52 -10.110 -32.919 4.005 1.00 0.00 N ATOM 828 CA PRO A 52 -11.124 -32.483 4.981 1.00 0.00 C ATOM 829 C PRO A 52 -10.615 -32.595 6.433 1.00 0.00 C ATOM 830 O PRO A 52 -10.764 -31.662 7.220 1.00 0.00 O ATOM 831 CB PRO A 52 -12.349 -33.362 4.712 1.00 0.00 C ATOM 832 CG PRO A 52 -11.773 -34.629 4.077 1.00 0.00 C ATOM 833 CD PRO A 52 -10.521 -34.148 3.339 1.00 0.00 C ATOM 0 HA PRO A 52 -11.369 -31.427 4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.887 -33.588 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.054 -32.868 4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.527 -35.376 4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.485 -35.090 3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.731 -34.898 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.734 -33.968 2.285 1.00 0.00 H new ATOM 841 N ASP A 53 -9.962 -33.719 6.725 1.00 0.00 N ATOM 842 CA ASP A 53 -9.461 -34.155 8.030 1.00 0.00 C ATOM 843 C ASP A 53 -8.534 -33.124 8.706 1.00 0.00 C ATOM 844 O ASP A 53 -8.882 -32.594 9.761 1.00 0.00 O ATOM 845 CB ASP A 53 -8.789 -35.507 7.757 1.00 0.00 C ATOM 846 CG ASP A 53 -8.163 -36.145 8.984 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.945 -36.651 9.815 1.00 0.00 O ATOM 848 OD2 ASP A 53 -6.913 -36.136 9.022 1.00 0.00 O ATOM 0 H ASP A 53 -9.752 -34.403 5.998 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.266 -34.253 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.529 -36.191 7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.019 -35.371 6.998 1.00 0.00 H new ATOM 853 N CYS A 54 -7.435 -32.727 8.047 1.00 0.00 N ATOM 854 CA CYS A 54 -6.495 -31.698 8.519 1.00 0.00 C ATOM 855 C CYS A 54 -7.237 -30.487 9.069 1.00 0.00 C ATOM 856 O CYS A 54 -7.077 -30.110 10.224 1.00 0.00 O ATOM 857 CB CYS A 54 -5.524 -31.323 7.373 1.00 0.00 C ATOM 858 SG CYS A 54 -5.232 -29.554 7.060 1.00 0.00 S ATOM 0 H CYS A 54 -7.168 -33.124 7.146 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.906 -32.097 9.345 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.562 -31.790 7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.902 -31.769 6.453 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.396 -29.420 6.073 1.00 0.00 H new ATOM 864 N LYS A 55 -8.112 -29.881 8.271 1.00 0.00 N ATOM 865 CA LYS A 55 -8.796 -28.655 8.680 1.00 0.00 C ATOM 866 C LYS A 55 -9.621 -28.845 9.954 1.00 0.00 C ATOM 867 O LYS A 55 -9.524 -28.001 10.842 1.00 0.00 O ATOM 868 CB LYS A 55 -9.666 -28.151 7.543 1.00 0.00 C ATOM 869 CG LYS A 55 -8.859 -27.359 6.486 1.00 0.00 C ATOM 870 CD LYS A 55 -8.526 -28.089 5.173 1.00 0.00 C ATOM 871 CE LYS A 55 -9.805 -28.259 4.339 1.00 0.00 C ATOM 872 NZ LYS A 55 -9.533 -28.899 3.030 1.00 0.00 N ATOM 0 H LYS A 55 -8.364 -30.216 7.341 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.034 -27.910 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.156 -28.997 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.453 -27.514 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.417 -26.456 6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.923 -27.040 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.784 -27.524 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.088 -29.064 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.523 -28.862 4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.265 -27.284 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.424 -29.010 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.881 -28.303 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.102 -29.833 3.183 1.00 0.00 H new ATOM 886 N THR A 56 -10.364 -29.947 10.060 1.00 0.00 N ATOM 887 CA THR A 56 -11.103 -30.354 11.270 1.00 0.00 C ATOM 888 C THR A 56 -10.200 -30.515 12.501 1.00 0.00 C ATOM 889 O THR A 56 -10.683 -30.416 13.628 1.00 0.00 O ATOM 890 CB THR A 56 -11.860 -31.670 11.004 1.00 0.00 C ATOM 891 OG1 THR A 56 -12.649 -31.530 9.844 1.00 0.00 O ATOM 892 CG2 THR A 56 -12.830 -32.075 12.112 1.00 0.00 C ATOM 0 H THR A 56 -10.476 -30.604 9.288 1.00 0.00 H new ATOM 0 HA THR A 56 -11.806 -29.552 11.494 1.00 0.00 H new ATOM 0 HB THR A 56 -11.083 -32.430 10.921 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.130 -32.367 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.319 -33.011 11.843 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.282 -32.207 13.045 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.582 -31.296 12.240 1.00 0.00 H new ATOM 900 N ILE A 57 -8.893 -30.705 12.293 1.00 0.00 N ATOM 901 CA ILE A 57 -7.928 -30.998 13.376 1.00 0.00 C ATOM 902 C ILE A 57 -7.098 -29.772 13.764 1.00 0.00 C ATOM 903 O ILE A 57 -7.180 -29.334 14.914 1.00 0.00 O ATOM 904 CB ILE A 57 -7.015 -32.185 13.017 1.00 0.00 C ATOM 905 CG1 ILE A 57 -7.850 -33.466 12.827 1.00 0.00 C ATOM 906 CG2 ILE A 57 -5.969 -32.430 14.126 1.00 0.00 C ATOM 907 CD1 ILE A 57 -7.110 -34.460 11.937 1.00 0.00 C ATOM 0 H ILE A 57 -8.466 -30.661 11.368 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.520 -31.278 14.248 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.502 -31.939 12.087 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.056 -33.920 13.796 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.813 -33.217 12.381 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.336 -33.273 13.849 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.353 -31.539 14.249 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.478 -32.651 15.064 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.715 -35.358 11.814 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.927 -34.009 10.962 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.158 -34.724 12.399 1.00 0.00 H new ATOM 919 N LEU A 58 -6.325 -29.163 12.849 1.00 0.00 N ATOM 920 CA LEU A 58 -5.526 -27.975 13.183 1.00 0.00 C ATOM 921 C LEU A 58 -6.391 -26.833 13.719 1.00 0.00 C ATOM 922 O LEU A 58 -5.901 -26.032 14.510 1.00 0.00 O ATOM 923 CB LEU A 58 -4.675 -27.480 12.009 1.00 0.00 C ATOM 924 CG LEU A 58 -3.687 -28.527 11.469 1.00 0.00 C ATOM 925 CD1 LEU A 58 -4.308 -29.454 10.438 1.00 0.00 C ATOM 926 CD2 LEU A 58 -2.511 -27.820 10.805 1.00 0.00 C ATOM 0 H LEU A 58 -6.238 -29.472 11.881 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.846 -28.296 13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.336 -27.168 11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.118 -26.598 12.324 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.373 -29.126 12.324 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.561 -30.170 10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.144 -29.990 10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.665 -28.869 9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.810 -28.561 10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.874 -27.205 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.007 -27.188 11.536 1.00 0.00 H new ATOM 938 N LYS A 59 -7.690 -26.823 13.377 1.00 0.00 N ATOM 939 CA LYS A 59 -8.703 -25.960 14.024 1.00 0.00 C ATOM 940 C LYS A 59 -8.615 -25.871 15.554 1.00 0.00 C ATOM 941 O LYS A 59 -8.962 -24.839 16.119 1.00 0.00 O ATOM 942 CB LYS A 59 -10.103 -26.420 13.616 1.00 0.00 C ATOM 943 CG LYS A 59 -10.536 -25.666 12.359 1.00 0.00 C ATOM 944 CD LYS A 59 -11.173 -24.307 12.703 1.00 0.00 C ATOM 945 CE LYS A 59 -10.882 -23.267 11.620 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.264 -23.727 10.265 1.00 0.00 N ATOM 0 H LYS A 59 -8.073 -27.415 12.640 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.491 -24.952 13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.105 -27.494 13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.809 -26.236 14.426 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.673 -25.510 11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.249 -26.271 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.251 -24.426 12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.789 -23.955 13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.420 -22.348 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.819 -23.026 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.628 -23.301 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.190 -24.763 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.243 -23.441 10.064 1.00 0.00 H new ATOM 960 N ALA A 60 -8.136 -26.935 16.195 1.00 0.00 N ATOM 961 CA ALA A 60 -7.763 -26.973 17.611 1.00 0.00 C ATOM 962 C ALA A 60 -6.253 -27.233 17.826 1.00 0.00 C ATOM 963 O ALA A 60 -5.703 -26.853 18.859 1.00 0.00 O ATOM 964 CB ALA A 60 -8.633 -28.027 18.307 1.00 0.00 C ATOM 0 H ALA A 60 -7.991 -27.829 15.726 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.945 -25.993 18.053 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.373 -28.073 19.364 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.684 -27.757 18.204 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.462 -29.001 17.848 1.00 0.00 H new ATOM 970 N LEU A 61 -5.545 -27.804 16.841 1.00 0.00 N ATOM 971 CA LEU A 61 -4.119 -28.147 16.928 1.00 0.00 C ATOM 972 C LEU A 61 -3.192 -27.080 16.321 1.00 0.00 C ATOM 973 O LEU A 61 -2.082 -27.377 15.881 1.00 0.00 O ATOM 974 CB LEU A 61 -3.870 -29.570 16.380 1.00 0.00 C ATOM 975 CG LEU A 61 -3.024 -30.396 17.371 1.00 0.00 C ATOM 976 CD1 LEU A 61 -3.867 -30.884 18.554 1.00 0.00 C ATOM 977 CD2 LEU A 61 -2.398 -31.621 16.712 1.00 0.00 C ATOM 0 H LEU A 61 -5.958 -28.046 15.940 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.849 -28.155 17.984 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.823 -30.069 16.204 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.359 -29.511 15.419 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.237 -29.726 17.717 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.241 -31.463 19.233 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.281 -30.026 19.084 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.680 -31.511 18.187 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.812 -32.171 17.449 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.185 -32.265 16.320 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.749 -31.303 15.896 1.00 0.00 H new ATOM 989 N GLY A 62 -3.619 -25.817 16.365 1.00 0.00 N ATOM 990 CA GLY A 62 -2.868 -24.663 15.864 1.00 0.00 C ATOM 991 C GLY A 62 -2.271 -23.701 16.906 1.00 0.00 C ATOM 992 O GLY A 62 -2.247 -22.500 16.625 1.00 0.00 O ATOM 0 H GLY A 62 -4.523 -25.561 16.762 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.053 -25.035 15.243 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.527 -24.088 15.214 1.00 0.00 H new ATOM 996 N PRO A 63 -1.734 -24.141 18.067 1.00 0.00 N ATOM 997 CA PRO A 63 -0.973 -23.287 18.987 1.00 0.00 C ATOM 998 C PRO A 63 0.460 -23.017 18.465 1.00 0.00 C ATOM 999 O PRO A 63 1.419 -23.064 19.224 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.992 -24.057 20.314 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.846 -25.497 19.835 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.697 -25.510 18.573 1.00 0.00 C ATOM 0 HA PRO A 63 -1.405 -22.292 19.095 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.176 -23.759 20.972 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.919 -23.901 20.865 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.193 -25.752 19.627 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.207 -26.210 20.576 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.273 -26.184 17.829 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.703 -25.868 18.791 1.00 0.00 H new ATOM 1010 N ALA A 64 0.616 -22.802 17.153 1.00 0.00 N ATOM 1011 CA ALA A 64 1.892 -22.542 16.471 1.00 0.00 C ATOM 1012 C ALA A 64 3.059 -23.516 16.794 1.00 0.00 C ATOM 1013 O ALA A 64 4.197 -23.078 16.917 1.00 0.00 O ATOM 1014 CB ALA A 64 2.247 -21.058 16.670 1.00 0.00 C ATOM 0 H ALA A 64 -0.176 -22.804 16.510 1.00 0.00 H new ATOM 0 HA ALA A 64 1.742 -22.754 15.412 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.192 -20.840 16.172 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.460 -20.435 16.244 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.341 -20.846 17.735 1.00 0.00 H new ATOM 1020 N ALA A 65 2.795 -24.828 16.901 1.00 0.00 N ATOM 1021 CA ALA A 65 3.847 -25.852 17.042 1.00 0.00 C ATOM 1022 C ALA A 65 3.541 -27.119 16.226 1.00 0.00 C ATOM 1023 O ALA A 65 3.975 -27.205 15.087 1.00 0.00 O ATOM 1024 CB ALA A 65 4.088 -26.125 18.536 1.00 0.00 C ATOM 0 H ALA A 65 1.849 -25.210 16.892 1.00 0.00 H new ATOM 0 HA ALA A 65 4.777 -25.474 16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.865 -26.881 18.647 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.404 -25.205 19.028 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.166 -26.482 18.994 1.00 0.00 H new ATOM 1030 N THR A 66 2.723 -28.059 16.721 1.00 0.00 N ATOM 1031 CA THR A 66 2.418 -29.345 16.038 1.00 0.00 C ATOM 1032 C THR A 66 1.921 -29.200 14.588 1.00 0.00 C ATOM 1033 O THR A 66 2.032 -30.113 13.774 1.00 0.00 O ATOM 1034 CB THR A 66 1.397 -30.166 16.847 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.573 -29.947 18.234 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.539 -31.669 16.612 1.00 0.00 C ATOM 0 H THR A 66 2.245 -27.956 17.616 1.00 0.00 H new ATOM 0 HA THR A 66 3.374 -29.866 15.986 1.00 0.00 H new ATOM 0 HB THR A 66 0.414 -29.836 16.511 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.916 -30.474 18.734 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.796 -32.202 17.206 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.385 -31.888 15.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.538 -31.991 16.907 1.00 0.00 H new ATOM 1044 N LEU A 67 1.411 -28.019 14.240 1.00 0.00 N ATOM 1045 CA LEU A 67 1.097 -27.592 12.876 1.00 0.00 C ATOM 1046 C LEU A 67 2.194 -27.956 11.866 1.00 0.00 C ATOM 1047 O LEU A 67 1.886 -28.427 10.785 1.00 0.00 O ATOM 1048 CB LEU A 67 0.898 -26.080 12.935 1.00 0.00 C ATOM 1049 CG LEU A 67 0.260 -25.353 11.727 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.696 -23.892 11.798 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.618 -25.911 10.372 1.00 0.00 C ATOM 0 H LEU A 67 1.196 -27.301 14.932 1.00 0.00 H new ATOM 0 HA LEU A 67 0.203 -28.109 12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.284 -25.864 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.874 -25.628 13.112 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.818 -25.489 11.809 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.266 -23.343 10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.351 -23.454 12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.783 -23.834 11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.119 -25.330 9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.697 -25.856 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.297 -26.951 10.310 1.00 0.00 H new ATOM 1063 N GLU A 68 3.461 -27.748 12.198 1.00 0.00 N ATOM 1064 CA GLU A 68 4.611 -28.087 11.334 1.00 0.00 C ATOM 1065 C GLU A 68 4.513 -29.455 10.661 1.00 0.00 C ATOM 1066 O GLU A 68 4.829 -29.570 9.476 1.00 0.00 O ATOM 1067 CB GLU A 68 5.914 -28.022 12.141 1.00 0.00 C ATOM 1068 CG GLU A 68 6.190 -26.593 12.559 1.00 0.00 C ATOM 1069 CD GLU A 68 7.647 -26.411 13.012 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.491 -26.169 12.118 1.00 0.00 O ATOM 1071 OE2 GLU A 68 7.903 -26.544 14.230 1.00 0.00 O ATOM 0 H GLU A 68 3.736 -27.332 13.088 1.00 0.00 H new ATOM 0 HA GLU A 68 4.603 -27.344 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.839 -28.660 13.022 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.742 -28.402 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.980 -25.922 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.518 -26.314 13.370 1.00 0.00 H new ATOM 1078 N GLU A 69 4.001 -30.458 11.375 1.00 0.00 N ATOM 1079 CA GLU A 69 3.644 -31.724 10.711 1.00 0.00 C ATOM 1080 C GLU A 69 2.296 -31.633 9.961 1.00 0.00 C ATOM 1081 O GLU A 69 2.185 -31.993 8.784 1.00 0.00 O ATOM 1082 CB GLU A 69 3.694 -32.898 11.704 1.00 0.00 C ATOM 1083 CG GLU A 69 2.470 -33.083 12.620 1.00 0.00 C ATOM 1084 CD GLU A 69 1.637 -34.304 12.196 1.00 0.00 C ATOM 1085 OE1 GLU A 69 2.156 -35.433 12.332 1.00 0.00 O ATOM 1086 OE2 GLU A 69 0.503 -34.087 11.713 1.00 0.00 O ATOM 0 H GLU A 69 3.826 -30.429 12.380 1.00 0.00 H new ATOM 0 HA GLU A 69 4.394 -31.919 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.836 -33.818 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.575 -32.773 12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.800 -33.205 13.652 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.850 -32.187 12.588 1.00 0.00 H new ATOM 1093 N MET A 70 1.277 -31.057 10.607 1.00 0.00 N ATOM 1094 CA MET A 70 -0.120 -31.083 10.169 1.00 0.00 C ATOM 1095 C MET A 70 -0.387 -30.307 8.872 1.00 0.00 C ATOM 1096 O MET A 70 -1.349 -30.589 8.152 1.00 0.00 O ATOM 1097 CB MET A 70 -0.970 -30.499 11.270 1.00 0.00 C ATOM 1098 CG MET A 70 -0.901 -31.086 12.662 1.00 0.00 C ATOM 1099 SD MET A 70 -2.498 -31.705 13.265 1.00 0.00 S ATOM 1100 CE MET A 70 -2.638 -33.216 12.265 1.00 0.00 C ATOM 0 H MET A 70 1.408 -30.543 11.478 1.00 0.00 H new ATOM 0 HA MET A 70 -0.368 -32.123 9.959 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.718 -29.442 11.350 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.009 -30.555 10.944 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.178 -31.902 12.669 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.531 -30.326 13.351 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.646 -33.291 11.858 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.919 -33.179 11.447 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.433 -34.086 12.889 1.00 0.00 H new ATOM 1110 N MET A 71 0.512 -29.364 8.581 1.00 0.00 N ATOM 1111 CA MET A 71 0.677 -28.592 7.348 1.00 0.00 C ATOM 1112 C MET A 71 0.382 -29.467 6.129 1.00 0.00 C ATOM 1113 O MET A 71 -0.390 -29.082 5.252 1.00 0.00 O ATOM 1114 CB MET A 71 2.129 -28.054 7.336 1.00 0.00 C ATOM 1115 CG MET A 71 2.527 -27.386 6.011 1.00 0.00 C ATOM 1116 SD MET A 71 4.256 -26.868 5.878 1.00 0.00 S ATOM 1117 CE MET A 71 4.324 -25.550 7.119 1.00 0.00 C ATOM 0 H MET A 71 1.212 -29.096 9.272 1.00 0.00 H new ATOM 0 HA MET A 71 -0.024 -27.758 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.247 -27.334 8.146 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.814 -28.877 7.538 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.311 -28.079 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.893 -26.512 5.862 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.959 -24.742 6.757 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.319 -25.169 7.300 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.735 -25.946 8.048 1.00 0.00 H new ATOM 1127 N THR A 72 0.957 -30.671 6.138 1.00 0.00 N ATOM 1128 CA THR A 72 0.847 -31.651 5.065 1.00 0.00 C ATOM 1129 C THR A 72 0.579 -33.071 5.543 1.00 0.00 C ATOM 1130 O THR A 72 0.182 -33.874 4.709 1.00 0.00 O ATOM 1131 CB THR A 72 2.131 -31.721 4.230 1.00 0.00 C ATOM 1132 OG1 THR A 72 2.924 -30.552 4.273 1.00 0.00 O ATOM 1133 CG2 THR A 72 1.824 -31.941 2.749 1.00 0.00 C ATOM 0 H THR A 72 1.528 -30.997 6.917 1.00 0.00 H new ATOM 0 HA THR A 72 -0.003 -31.298 4.481 1.00 0.00 H new ATOM 0 HB THR A 72 2.675 -32.552 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.722 -30.678 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.757 -31.986 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.281 -32.878 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.215 -31.117 2.377 1.00 0.00 H new ATOM 1141 N ALA A 73 0.752 -33.431 6.822 1.00 0.00 N ATOM 1142 CA ALA A 73 0.716 -34.843 7.246 1.00 0.00 C ATOM 1143 C ALA A 73 -0.593 -35.547 6.864 1.00 0.00 C ATOM 1144 O ALA A 73 -0.609 -36.727 6.513 1.00 0.00 O ATOM 1145 CB ALA A 73 0.942 -34.927 8.754 1.00 0.00 C ATOM 0 H ALA A 73 0.918 -32.769 7.580 1.00 0.00 H new ATOM 0 HA ALA A 73 1.514 -35.363 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.916 -35.970 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.913 -34.498 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.159 -34.372 9.271 1.00 0.00 H new ATOM 1151 N CYS A 74 -1.675 -34.768 6.799 1.00 0.00 N ATOM 1152 CA CYS A 74 -2.994 -35.237 6.370 1.00 0.00 C ATOM 1153 C CYS A 74 -3.027 -35.896 4.977 1.00 0.00 C ATOM 1154 O CYS A 74 -3.922 -36.688 4.678 1.00 0.00 O ATOM 1155 CB CYS A 74 -3.948 -34.056 6.441 1.00 0.00 C ATOM 1156 SG CYS A 74 -3.522 -32.781 5.200 1.00 0.00 S ATOM 0 H CYS A 74 -1.659 -33.779 7.047 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.295 -36.038 7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.969 -34.400 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.916 -33.620 7.439 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.254 -31.661 5.803 1.00 0.00 H new ATOM 1162 N GLN A 75 -2.035 -35.612 4.128 1.00 0.00 N ATOM 1163 CA GLN A 75 -1.896 -36.199 2.799 1.00 0.00 C ATOM 1164 C GLN A 75 -1.738 -37.726 2.814 1.00 0.00 C ATOM 1165 O GLN A 75 -2.081 -38.371 1.828 1.00 0.00 O ATOM 1166 CB GLN A 75 -0.745 -35.493 2.063 1.00 0.00 C ATOM 1167 CG GLN A 75 0.691 -35.911 2.451 1.00 0.00 C ATOM 1168 CD GLN A 75 1.151 -37.255 1.898 1.00 0.00 C ATOM 1169 OE1 GLN A 75 1.517 -38.153 2.632 1.00 0.00 O ATOM 1170 NE2 GLN A 75 1.166 -37.450 0.598 1.00 0.00 N ATOM 0 H GLN A 75 -1.291 -34.952 4.354 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.826 -36.035 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.871 -35.663 0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.843 -34.420 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.381 -35.140 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.762 -35.941 3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.862 -36.708 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.481 -38.343 0.220 1.00 0.00 H new