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 25 TYR OH : rot 180:sc= 0.0513 USER MOD Set 1.2: A 39 ASN : amide:sc= -0.339 K(o=-0.53,f=-5.1!) USER MOD Set 1.3: A 71 MET CE :methyl 172:sc= -0.24 (180deg=-0.119) USER MOD Set 2.1: A 42 THR OG1 : rot -69:sc= 1.93 USER MOD Set 2.2: A 44 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 150:sc= 1.3 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.091) USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.877 X(o=-0.88,f=-1.1) USER MOD Single : A 34 SER OG : rot 150:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.552 K(o=-0.55,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 0.0859 (180deg=0.00612) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 49 ASN : amide:sc= 0.0623 X(o=0.062,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.13! C(o=-2.1!,f=-11!) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.624 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= 0.363 (180deg=0.217) USER MOD Single : A 56 THR OG1 : rot 86:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.12) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 176:sc=-0.00619 (180deg=-0.0197) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -102:sc= 0.393 USER MOD Single : A 75 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.275 -10.647 3.473 1.00 0.00 N ATOM 71 CA ILE A 6 0.899 -11.133 3.263 1.00 0.00 C ATOM 72 C ILE A 6 0.099 -11.114 4.558 1.00 0.00 C ATOM 73 O ILE A 6 -1.117 -10.976 4.491 1.00 0.00 O ATOM 74 CB ILE A 6 0.860 -12.551 2.633 1.00 0.00 C ATOM 75 CG1 ILE A 6 0.913 -13.730 3.642 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.036 -12.701 1.653 1.00 0.00 C ATOM 77 CD1 ILE A 6 -0.422 -14.262 4.182 1.00 0.00 C ATOM 0 HA ILE A 6 0.438 -10.444 2.555 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.110 -12.618 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.436 -14.558 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.519 -13.418 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.014 -13.695 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.953 -11.950 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.976 -12.564 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.233 -15.082 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.949 -13.462 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.033 -14.620 3.353 1.00 0.00 H new ATOM 89 N LEU A 7 0.788 -11.262 5.699 1.00 0.00 N ATOM 90 CA LEU A 7 0.286 -11.496 7.073 1.00 0.00 C ATOM 91 C LEU A 7 -0.935 -10.695 7.574 1.00 0.00 C ATOM 92 O LEU A 7 -1.502 -11.050 8.604 1.00 0.00 O ATOM 93 CB LEU A 7 1.484 -11.412 8.047 1.00 0.00 C ATOM 94 CG LEU A 7 2.223 -10.054 8.110 1.00 0.00 C ATOM 95 CD1 LEU A 7 1.522 -9.022 8.997 1.00 0.00 C ATOM 96 CD2 LEU A 7 3.625 -10.252 8.689 1.00 0.00 C ATOM 0 H LEU A 7 1.807 -11.218 5.689 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.154 -12.493 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.128 -11.655 9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.205 -12.181 7.770 1.00 0.00 H new ATOM 0 HG LEU A 7 2.244 -9.682 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.093 -8.094 8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.520 -8.832 8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.453 -9.405 10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.140 -9.292 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.548 -10.667 9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.187 -10.938 8.055 1.00 0.00 H new ATOM 108 N ASP A 8 -1.336 -9.651 6.852 1.00 0.00 N ATOM 109 CA ASP A 8 -2.594 -8.920 7.034 1.00 0.00 C ATOM 110 C ASP A 8 -3.804 -9.850 6.842 1.00 0.00 C ATOM 111 O ASP A 8 -4.726 -9.880 7.661 1.00 0.00 O ATOM 112 CB ASP A 8 -2.612 -7.783 5.995 1.00 0.00 C ATOM 113 CG ASP A 8 -3.983 -7.109 5.850 1.00 0.00 C ATOM 114 OD1 ASP A 8 -4.788 -7.614 5.032 1.00 0.00 O ATOM 115 OD2 ASP A 8 -4.187 -6.075 6.525 1.00 0.00 O ATOM 0 H ASP A 8 -0.771 -9.273 6.091 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.659 -8.520 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.874 -7.032 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.307 -8.181 5.027 1.00 0.00 H new ATOM 120 N ILE A 9 -3.787 -10.659 5.775 1.00 0.00 N ATOM 121 CA ILE A 9 -4.950 -11.450 5.369 1.00 0.00 C ATOM 122 C ILE A 9 -5.319 -12.521 6.410 1.00 0.00 C ATOM 123 O ILE A 9 -4.519 -13.389 6.776 1.00 0.00 O ATOM 124 CB ILE A 9 -4.857 -11.984 3.927 1.00 0.00 C ATOM 125 CG1 ILE A 9 -3.769 -13.048 3.686 1.00 0.00 C ATOM 126 CG2 ILE A 9 -4.691 -10.810 2.942 1.00 0.00 C ATOM 127 CD1 ILE A 9 -4.113 -13.938 2.489 1.00 0.00 C ATOM 0 H ILE A 9 -2.972 -10.782 5.174 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.794 -10.761 5.344 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.798 -12.506 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.811 -12.558 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.656 -13.664 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.626 -11.195 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.549 -10.143 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.780 -10.261 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.325 -14.677 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.059 -14.447 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.201 -13.324 1.592 1.00 0.00 H new ATOM 139 N ARG A 10 -6.585 -12.465 6.847 1.00 0.00 N ATOM 140 CA ARG A 10 -7.313 -13.272 7.843 1.00 0.00 C ATOM 141 C ARG A 10 -6.576 -14.418 8.561 1.00 0.00 C ATOM 142 O ARG A 10 -7.057 -15.543 8.468 1.00 0.00 O ATOM 143 CB ARG A 10 -8.661 -13.684 7.205 1.00 0.00 C ATOM 144 CG ARG A 10 -8.609 -14.326 5.798 1.00 0.00 C ATOM 145 CD ARG A 10 -8.261 -15.830 5.718 1.00 0.00 C ATOM 146 NE ARG A 10 -9.186 -16.591 4.842 1.00 0.00 N ATOM 147 CZ ARG A 10 -10.296 -17.205 5.216 1.00 0.00 C ATOM 148 NH1 ARG A 10 -10.726 -17.184 6.449 1.00 0.00 N ATOM 149 NH2 ARG A 10 -11.014 -17.858 4.358 1.00 0.00 N ATOM 0 H ARG A 10 -7.208 -11.757 6.458 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.454 -12.627 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.154 -14.385 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.293 -12.798 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.579 -14.178 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.877 -13.778 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.242 -15.943 5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.284 -16.257 6.721 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.941 -16.646 3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.200 -16.681 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.587 -17.671 6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.725 -17.903 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.868 -18.327 4.660 1.00 0.00 H new ATOM 163 N GLN A 11 -5.438 -14.179 9.236 1.00 0.00 N ATOM 164 CA GLN A 11 -4.548 -15.238 9.769 1.00 0.00 C ATOM 165 C GLN A 11 -5.298 -16.464 10.308 1.00 0.00 C ATOM 166 O GLN A 11 -5.905 -16.496 11.382 1.00 0.00 O ATOM 167 CB GLN A 11 -3.515 -14.714 10.765 1.00 0.00 C ATOM 168 CG GLN A 11 -2.229 -14.291 10.040 1.00 0.00 C ATOM 169 CD GLN A 11 -1.094 -13.945 11.006 1.00 0.00 C ATOM 170 OE1 GLN A 11 -1.288 -13.662 12.176 1.00 0.00 O ATOM 171 NE2 GLN A 11 0.149 -14.073 10.588 1.00 0.00 N ATOM 0 H GLN A 11 -5.102 -13.236 9.432 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.991 -15.587 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.927 -13.865 11.311 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.287 -15.486 11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.907 -15.097 9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.440 -13.428 9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.338 -14.309 9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.923 -13.936 11.239 1.00 0.00 H new ATOM 180 N GLY A 12 -5.263 -17.497 9.473 1.00 0.00 N ATOM 181 CA GLY A 12 -6.178 -18.620 9.617 1.00 0.00 C ATOM 182 C GLY A 12 -6.245 -19.505 8.386 1.00 0.00 C ATOM 183 O GLY A 12 -7.264 -19.479 7.703 1.00 0.00 O ATOM 0 H GLY A 12 -4.612 -17.579 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.871 -19.222 10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.176 -18.240 9.837 1.00 0.00 H new ATOM 187 N PRO A 13 -5.217 -20.321 8.124 1.00 0.00 N ATOM 188 CA PRO A 13 -5.250 -21.297 7.039 1.00 0.00 C ATOM 189 C PRO A 13 -6.188 -22.480 7.312 1.00 0.00 C ATOM 190 O PRO A 13 -6.574 -23.145 6.366 1.00 0.00 O ATOM 191 CB PRO A 13 -3.805 -21.772 6.946 1.00 0.00 C ATOM 192 CG PRO A 13 -3.333 -21.729 8.403 1.00 0.00 C ATOM 193 CD PRO A 13 -4.000 -20.457 8.915 1.00 0.00 C ATOM 0 HA PRO A 13 -5.634 -20.854 6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.737 -22.777 6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.207 -21.121 6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.651 -22.610 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.247 -21.679 8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.227 -20.532 9.978 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.349 -19.592 8.788 1.00 0.00 H new ATOM 201 N LYS A 14 -6.521 -22.702 8.596 1.00 0.00 N ATOM 202 CA LYS A 14 -7.225 -23.836 9.248 1.00 0.00 C ATOM 203 C LYS A 14 -8.072 -24.695 8.284 1.00 0.00 C ATOM 204 O LYS A 14 -7.526 -25.535 7.577 1.00 0.00 O ATOM 205 CB LYS A 14 -7.990 -23.290 10.474 1.00 0.00 C ATOM 206 CG LYS A 14 -7.077 -22.626 11.532 1.00 0.00 C ATOM 207 CD LYS A 14 -7.817 -21.564 12.364 1.00 0.00 C ATOM 208 CE LYS A 14 -6.848 -20.884 13.348 1.00 0.00 C ATOM 209 NZ LYS A 14 -7.440 -19.673 13.977 1.00 0.00 N ATOM 0 H LYS A 14 -6.273 -22.003 9.296 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.489 -24.560 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.728 -22.563 10.136 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.539 -24.107 10.942 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.680 -23.393 12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.225 -22.164 11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.258 -20.818 11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.636 -22.028 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.566 -21.594 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.934 -20.608 12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.751 -19.250 14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.686 -18.983 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.298 -19.938 14.502 1.00 0.00 H new ATOM 223 N GLU A 15 -9.385 -24.465 8.218 1.00 0.00 N ATOM 224 CA GLU A 15 -10.242 -25.018 7.163 1.00 0.00 C ATOM 225 C GLU A 15 -9.873 -24.517 5.749 1.00 0.00 C ATOM 226 O GLU A 15 -9.829 -25.341 4.833 1.00 0.00 O ATOM 227 CB GLU A 15 -11.728 -24.739 7.443 1.00 0.00 C ATOM 228 CG GLU A 15 -12.211 -25.285 8.792 1.00 0.00 C ATOM 229 CD GLU A 15 -13.742 -25.327 8.834 1.00 0.00 C ATOM 230 OE1 GLU A 15 -14.332 -24.266 9.142 1.00 0.00 O ATOM 231 OE2 GLU A 15 -14.294 -26.405 8.490 1.00 0.00 O ATOM 0 H GLU A 15 -9.886 -23.889 8.895 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.067 -26.094 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.899 -23.663 7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.328 -25.179 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.809 -26.285 8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.836 -24.658 9.601 1.00 0.00 H new ATOM 238 N PRO A 16 -9.602 -23.214 5.508 1.00 0.00 N ATOM 239 CA PRO A 16 -9.405 -22.678 4.160 1.00 0.00 C ATOM 240 C PRO A 16 -8.000 -22.937 3.563 1.00 0.00 C ATOM 241 O PRO A 16 -7.473 -22.046 2.898 1.00 0.00 O ATOM 242 CB PRO A 16 -9.746 -21.182 4.293 1.00 0.00 C ATOM 243 CG PRO A 16 -9.252 -20.855 5.687 1.00 0.00 C ATOM 244 CD PRO A 16 -9.662 -22.100 6.457 1.00 0.00 C ATOM 0 HA PRO A 16 -10.045 -23.186 3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.244 -20.582 3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.815 -20.999 4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.174 -20.694 5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.718 -19.954 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.993 -22.272 7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.667 -21.991 6.864 1.00 0.00 H new ATOM 252 N PHE A 17 -7.360 -24.107 3.741 1.00 0.00 N ATOM 253 CA PHE A 17 -5.953 -24.292 3.314 1.00 0.00 C ATOM 254 C PHE A 17 -5.728 -23.919 1.836 1.00 0.00 C ATOM 255 O PHE A 17 -4.770 -23.221 1.532 1.00 0.00 O ATOM 256 CB PHE A 17 -5.430 -25.716 3.606 1.00 0.00 C ATOM 257 CG PHE A 17 -4.073 -25.808 4.307 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.921 -25.295 5.611 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.972 -26.458 3.702 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.677 -25.353 6.269 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.733 -26.538 4.372 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.578 -25.964 5.647 1.00 0.00 C ATOM 0 H PHE A 17 -7.783 -24.930 4.171 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.370 -23.597 3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.168 -26.233 4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.365 -26.257 2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.769 -24.852 6.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.081 -26.896 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.569 -24.926 7.255 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.900 -27.042 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.619 -25.994 6.144 1.00 0.00 H new ATOM 272 N ARG A 18 -6.635 -24.281 0.908 1.00 0.00 N ATOM 273 CA ARG A 18 -6.573 -23.878 -0.502 1.00 0.00 C ATOM 274 C ARG A 18 -6.869 -22.390 -0.691 1.00 0.00 C ATOM 275 O ARG A 18 -6.283 -21.715 -1.529 1.00 0.00 O ATOM 276 CB ARG A 18 -7.455 -24.805 -1.351 1.00 0.00 C ATOM 277 CG ARG A 18 -8.977 -24.659 -1.226 1.00 0.00 C ATOM 278 CD ARG A 18 -9.608 -23.481 -1.980 1.00 0.00 C ATOM 279 NE ARG A 18 -9.610 -23.641 -3.455 1.00 0.00 N ATOM 280 CZ ARG A 18 -8.704 -23.140 -4.291 1.00 0.00 C ATOM 281 NH1 ARG A 18 -7.696 -22.426 -3.903 1.00 0.00 N ATOM 282 NH2 ARG A 18 -8.759 -23.332 -5.578 1.00 0.00 N ATOM 0 H ARG A 18 -7.440 -24.869 1.124 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.551 -23.998 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.189 -24.654 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.196 -25.834 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.440 -25.580 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.226 -24.563 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.635 -23.352 -1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.069 -22.569 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.372 -24.182 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.567 -22.223 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.031 -22.067 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.517 -23.884 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.044 -22.930 -6.185 1.00 0.00 H new ATOM 296 N ASP A 19 -7.832 -21.892 0.076 1.00 0.00 N ATOM 297 CA ASP A 19 -8.357 -20.514 -0.010 1.00 0.00 C ATOM 298 C ASP A 19 -7.406 -19.484 0.632 1.00 0.00 C ATOM 299 O ASP A 19 -7.614 -18.276 0.538 1.00 0.00 O ATOM 300 CB ASP A 19 -9.781 -20.487 0.568 1.00 0.00 C ATOM 301 CG ASP A 19 -10.333 -19.067 0.699 1.00 0.00 C ATOM 302 OD1 ASP A 19 -10.659 -18.475 -0.350 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.381 -18.549 1.837 1.00 0.00 O ATOM 0 H ASP A 19 -8.290 -22.445 0.801 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.413 -20.210 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.441 -21.072 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.781 -20.965 1.547 1.00 0.00 H new ATOM 308 N TYR A 20 -6.301 -19.981 1.181 1.00 0.00 N ATOM 309 CA TYR A 20 -5.195 -19.203 1.749 1.00 0.00 C ATOM 310 C TYR A 20 -3.871 -19.496 1.016 1.00 0.00 C ATOM 311 O TYR A 20 -3.130 -18.567 0.691 1.00 0.00 O ATOM 312 CB TYR A 20 -5.134 -19.477 3.266 1.00 0.00 C ATOM 313 CG TYR A 20 -4.465 -18.403 4.115 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.100 -18.089 3.957 1.00 0.00 C ATOM 315 CD2 TYR A 20 -5.221 -17.715 5.087 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.503 -17.106 4.769 1.00 0.00 C ATOM 317 CE2 TYR A 20 -4.640 -16.681 5.851 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.273 -16.377 5.697 1.00 0.00 C ATOM 319 OH TYR A 20 -2.705 -15.383 6.430 1.00 0.00 O ATOM 0 H TYR A 20 -6.141 -20.986 1.247 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.367 -18.136 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.152 -19.618 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.606 -20.417 3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.511 -18.603 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.255 -17.982 5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.445 -16.909 4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.242 -16.123 6.553 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.379 -14.701 6.634 1.00 0.00 H new ATOM 329 N VAL A 21 -3.573 -20.761 0.685 1.00 0.00 N ATOM 330 CA VAL A 21 -2.317 -21.153 0.007 1.00 0.00 C ATOM 331 C VAL A 21 -2.141 -20.513 -1.363 1.00 0.00 C ATOM 332 O VAL A 21 -1.053 -20.015 -1.649 1.00 0.00 O ATOM 333 CB VAL A 21 -2.167 -22.685 -0.070 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.132 -23.383 -1.018 1.00 0.00 C ATOM 335 CG2 VAL A 21 -0.774 -23.148 -0.467 1.00 0.00 C ATOM 0 H VAL A 21 -4.194 -21.547 0.878 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.512 -20.762 0.630 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.395 -22.970 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.946 -24.457 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.157 -23.187 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.985 -23.006 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.748 -24.237 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.525 -22.750 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.049 -22.789 0.264 1.00 0.00 H new ATOM 345 N ASP A 22 -3.199 -20.454 -2.176 1.00 0.00 N ATOM 346 CA ASP A 22 -3.127 -19.899 -3.516 1.00 0.00 C ATOM 347 C ASP A 22 -2.828 -18.397 -3.472 1.00 0.00 C ATOM 348 O ASP A 22 -1.910 -17.881 -4.111 1.00 0.00 O ATOM 349 CB ASP A 22 -4.499 -20.126 -4.149 1.00 0.00 C ATOM 350 CG ASP A 22 -4.824 -21.547 -4.624 1.00 0.00 C ATOM 351 OD1 ASP A 22 -4.404 -22.525 -3.969 1.00 0.00 O ATOM 352 OD2 ASP A 22 -5.672 -21.660 -5.539 1.00 0.00 O ATOM 0 H ASP A 22 -4.126 -20.791 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.329 -20.376 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.258 -19.830 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.593 -19.455 -5.003 1.00 0.00 H new ATOM 357 N ARG A 23 -3.610 -17.718 -2.629 1.00 0.00 N ATOM 358 CA ARG A 23 -3.518 -16.290 -2.293 1.00 0.00 C ATOM 359 C ARG A 23 -2.117 -15.902 -1.850 1.00 0.00 C ATOM 360 O ARG A 23 -1.599 -14.886 -2.311 1.00 0.00 O ATOM 361 CB ARG A 23 -4.505 -15.921 -1.165 1.00 0.00 C ATOM 362 CG ARG A 23 -5.791 -16.696 -1.110 1.00 0.00 C ATOM 363 CD ARG A 23 -6.654 -16.473 -2.338 1.00 0.00 C ATOM 364 NE ARG A 23 -8.023 -16.562 -1.856 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.136 -16.138 -2.423 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.133 -15.567 -3.595 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.279 -16.281 -1.830 1.00 0.00 N ATOM 0 H ARG A 23 -4.372 -18.177 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.770 -15.744 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.992 -16.045 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.750 -14.863 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.568 -17.759 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.349 -16.406 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.456 -15.500 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.455 -17.224 -3.102 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.139 -17.017 -0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.255 -15.439 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.009 -15.249 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.326 -16.726 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.132 -15.949 -2.280 1.00 0.00 H new ATOM 381 N PHE A 24 -1.538 -16.709 -0.963 1.00 0.00 N ATOM 382 CA PHE A 24 -0.225 -16.461 -0.389 1.00 0.00 C ATOM 383 C PHE A 24 0.875 -16.792 -1.397 1.00 0.00 C ATOM 384 O PHE A 24 1.640 -15.908 -1.769 1.00 0.00 O ATOM 385 CB PHE A 24 -0.080 -17.262 0.916 1.00 0.00 C ATOM 386 CG PHE A 24 1.150 -16.982 1.772 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.228 -16.180 1.341 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.193 -17.494 3.079 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.353 -15.986 2.149 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.336 -17.320 3.872 1.00 0.00 C ATOM 391 CZ PHE A 24 3.463 -16.645 3.364 1.00 0.00 C ATOM 0 H PHE A 24 -1.977 -17.564 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.121 -15.403 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.965 -17.078 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.082 -18.322 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.184 -15.708 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.340 -18.025 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.139 -15.320 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.352 -17.707 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.395 -16.641 3.910 1.00 0.00 H new ATOM 401 N TYR A 25 0.987 -18.030 -1.888 1.00 0.00 N ATOM 402 CA TYR A 25 2.095 -18.383 -2.784 1.00 0.00 C ATOM 403 C TYR A 25 2.127 -17.501 -4.049 1.00 0.00 C ATOM 404 O TYR A 25 3.219 -17.175 -4.505 1.00 0.00 O ATOM 405 CB TYR A 25 2.195 -19.898 -3.015 1.00 0.00 C ATOM 406 CG TYR A 25 3.001 -20.653 -1.946 1.00 0.00 C ATOM 407 CD1 TYR A 25 2.789 -20.412 -0.572 1.00 0.00 C ATOM 408 CD2 TYR A 25 3.998 -21.588 -2.319 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.590 -21.038 0.391 1.00 0.00 C ATOM 410 CE2 TYR A 25 4.757 -22.280 -1.347 1.00 0.00 C ATOM 411 CZ TYR A 25 4.564 -21.983 0.018 1.00 0.00 C ATOM 412 OH TYR A 25 5.235 -22.650 0.995 1.00 0.00 O ATOM 0 H TYR A 25 0.339 -18.791 -1.686 1.00 0.00 H new ATOM 0 HA TYR A 25 3.030 -18.139 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.188 -20.314 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.651 -20.075 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.003 -19.740 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.182 -21.776 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.459 -20.792 1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.476 -23.028 -1.647 1.00 0.00 H new ATOM 0 HH TYR A 25 5.875 -23.270 0.587 1.00 0.00 H new ATOM 422 N LYS A 26 0.986 -16.961 -4.513 1.00 0.00 N ATOM 423 CA LYS A 26 0.879 -15.907 -5.549 1.00 0.00 C ATOM 424 C LYS A 26 1.682 -14.622 -5.256 1.00 0.00 C ATOM 425 O LYS A 26 2.141 -13.985 -6.210 1.00 0.00 O ATOM 426 CB LYS A 26 -0.627 -15.639 -5.773 1.00 0.00 C ATOM 427 CG LYS A 26 -1.047 -14.362 -6.524 1.00 0.00 C ATOM 428 CD LYS A 26 -1.115 -13.148 -5.582 1.00 0.00 C ATOM 429 CE LYS A 26 -1.702 -11.913 -6.268 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.639 -10.741 -5.360 1.00 0.00 N ATOM 0 H LYS A 26 0.074 -17.256 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 26 1.348 -16.269 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.037 -16.491 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.109 -15.621 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.337 -14.161 -7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.020 -14.517 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.721 -13.400 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.114 -12.917 -5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.151 -11.702 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.736 -12.105 -6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.146 -9.941 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.081 -10.982 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.645 -10.477 -5.202 1.00 0.00 H new ATOM 444 N THR A 27 1.818 -14.211 -3.988 1.00 0.00 N ATOM 445 CA THR A 27 2.597 -13.027 -3.548 1.00 0.00 C ATOM 446 C THR A 27 3.941 -13.401 -2.939 1.00 0.00 C ATOM 447 O THR A 27 4.920 -12.752 -3.285 1.00 0.00 O ATOM 448 CB THR A 27 1.887 -12.155 -2.495 1.00 0.00 C ATOM 449 OG1 THR A 27 1.294 -12.964 -1.516 1.00 0.00 O ATOM 450 CG2 THR A 27 0.766 -11.287 -3.054 1.00 0.00 C ATOM 0 H THR A 27 1.379 -14.703 -3.210 1.00 0.00 H new ATOM 0 HA THR A 27 2.718 -12.465 -4.474 1.00 0.00 H new ATOM 0 HB THR A 27 2.672 -11.510 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.717 -12.416 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.319 -10.706 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.170 -10.611 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.005 -11.923 -3.507 1.00 0.00 H new ATOM 458 N LEU A 28 4.030 -14.460 -2.120 1.00 0.00 N ATOM 459 CA LEU A 28 5.318 -15.009 -1.643 1.00 0.00 C ATOM 460 C LEU A 28 6.307 -15.189 -2.796 1.00 0.00 C ATOM 461 O LEU A 28 7.458 -14.774 -2.677 1.00 0.00 O ATOM 462 CB LEU A 28 5.114 -16.326 -0.867 1.00 0.00 C ATOM 463 CG LEU A 28 6.379 -17.196 -0.676 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.383 -17.799 0.721 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.476 -18.357 -1.674 1.00 0.00 C ATOM 0 H LEU A 28 3.215 -14.962 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 28 5.748 -14.284 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.708 -16.088 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.362 -16.920 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 28 7.226 -16.530 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.276 -18.411 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.380 -17.000 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.496 -18.419 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.386 -18.926 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.610 -19.009 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.501 -17.963 -2.690 1.00 0.00 H new ATOM 477 N ARG A 29 5.864 -15.720 -3.941 1.00 0.00 N ATOM 478 CA ARG A 29 6.688 -15.834 -5.164 1.00 0.00 C ATOM 479 C ARG A 29 7.107 -14.493 -5.815 1.00 0.00 C ATOM 480 O ARG A 29 7.568 -14.491 -6.954 1.00 0.00 O ATOM 481 CB ARG A 29 6.052 -16.854 -6.122 1.00 0.00 C ATOM 482 CG ARG A 29 4.807 -16.342 -6.862 1.00 0.00 C ATOM 483 CD ARG A 29 5.104 -15.933 -8.306 1.00 0.00 C ATOM 484 NE ARG A 29 4.337 -14.737 -8.689 1.00 0.00 N ATOM 485 CZ ARG A 29 4.836 -13.610 -9.159 1.00 0.00 C ATOM 486 NH1 ARG A 29 6.102 -13.312 -9.088 1.00 0.00 N ATOM 487 NH2 ARG A 29 4.052 -12.743 -9.729 1.00 0.00 N ATOM 0 H ARG A 29 4.919 -16.087 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 29 7.661 -16.222 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.797 -17.157 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.782 -17.746 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.043 -17.119 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.396 -15.488 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.170 -15.736 -8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.859 -16.756 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 29 3.324 -14.784 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.756 -13.964 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.440 -12.427 -9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.054 -12.935 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.435 -11.871 -10.093 1.00 0.00 H new ATOM 501 N ALA A 30 6.940 -13.356 -5.140 1.00 0.00 N ATOM 502 CA ALA A 30 7.442 -12.026 -5.514 1.00 0.00 C ATOM 503 C ALA A 30 8.031 -11.232 -4.318 1.00 0.00 C ATOM 504 O ALA A 30 8.295 -10.041 -4.449 1.00 0.00 O ATOM 505 CB ALA A 30 6.287 -11.244 -6.161 1.00 0.00 C ATOM 0 H ALA A 30 6.419 -13.333 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 30 8.267 -12.160 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.635 -10.252 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.938 -11.776 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.468 -11.149 -5.448 1.00 0.00 H new ATOM 511 N GLU A 31 8.216 -11.886 -3.166 1.00 0.00 N ATOM 512 CA GLU A 31 8.556 -11.276 -1.870 1.00 0.00 C ATOM 513 C GLU A 31 9.591 -12.174 -1.159 1.00 0.00 C ATOM 514 O GLU A 31 10.762 -11.818 -1.048 1.00 0.00 O ATOM 515 CB GLU A 31 7.205 -11.099 -1.125 1.00 0.00 C ATOM 516 CG GLU A 31 7.143 -11.193 0.403 1.00 0.00 C ATOM 517 CD GLU A 31 7.913 -10.103 1.159 1.00 0.00 C ATOM 518 OE1 GLU A 31 7.872 -8.929 0.732 1.00 0.00 O ATOM 519 OE2 GLU A 31 8.514 -10.468 2.195 1.00 0.00 O ATOM 0 H GLU A 31 8.130 -12.901 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 31 9.033 -10.298 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.809 -10.122 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.518 -11.847 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.098 -11.156 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.531 -12.165 0.707 1.00 0.00 H new ATOM 526 N GLN A 32 9.196 -13.410 -0.837 1.00 0.00 N ATOM 527 CA GLN A 32 10.029 -14.424 -0.168 1.00 0.00 C ATOM 528 C GLN A 32 10.752 -15.367 -1.141 1.00 0.00 C ATOM 529 O GLN A 32 11.732 -16.006 -0.768 1.00 0.00 O ATOM 530 CB GLN A 32 9.120 -15.270 0.755 1.00 0.00 C ATOM 531 CG GLN A 32 9.570 -15.291 2.213 1.00 0.00 C ATOM 532 CD GLN A 32 9.753 -13.884 2.759 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.871 -13.453 2.971 1.00 0.00 O ATOM 534 NE2 GLN A 32 8.689 -13.139 2.954 1.00 0.00 N ATOM 0 H GLN A 32 8.255 -13.747 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 32 10.800 -13.890 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.103 -14.880 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.088 -16.293 0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.833 -15.823 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.508 -15.840 2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.760 -13.518 2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.792 -12.181 3.289 1.00 0.00 H new ATOM 543 N ALA A 33 10.210 -15.498 -2.357 1.00 0.00 N ATOM 544 CA ALA A 33 10.585 -16.362 -3.485 1.00 0.00 C ATOM 545 C ALA A 33 10.803 -17.876 -3.230 1.00 0.00 C ATOM 546 O ALA A 33 10.713 -18.641 -4.184 1.00 0.00 O ATOM 547 CB ALA A 33 11.753 -15.703 -4.230 1.00 0.00 C ATOM 0 H ALA A 33 9.399 -14.932 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 33 9.689 -16.419 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.047 -16.329 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.445 -14.724 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.598 -15.587 -3.552 1.00 0.00 H new ATOM 553 N SER A 34 10.991 -18.319 -1.980 1.00 0.00 N ATOM 554 CA SER A 34 11.427 -19.651 -1.533 1.00 0.00 C ATOM 555 C SER A 34 10.974 -20.852 -2.368 1.00 0.00 C ATOM 556 O SER A 34 11.823 -21.650 -2.747 1.00 0.00 O ATOM 557 CB SER A 34 11.002 -19.828 -0.068 1.00 0.00 C ATOM 558 OG SER A 34 11.233 -21.149 0.379 1.00 0.00 O ATOM 0 H SER A 34 10.828 -17.701 -1.185 1.00 0.00 H new ATOM 0 HA SER A 34 12.509 -19.658 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.553 -19.128 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.944 -19.586 0.038 1.00 0.00 H new ATOM 0 HG SER A 34 11.423 -21.140 1.340 1.00 0.00 H new ATOM 564 N GLN A 35 9.665 -20.975 -2.622 1.00 0.00 N ATOM 565 CA GLN A 35 8.996 -22.060 -3.355 1.00 0.00 C ATOM 566 C GLN A 35 9.650 -23.459 -3.214 1.00 0.00 C ATOM 567 O GLN A 35 9.857 -24.190 -4.182 1.00 0.00 O ATOM 568 CB GLN A 35 8.718 -21.568 -4.790 1.00 0.00 C ATOM 569 CG GLN A 35 8.010 -22.522 -5.771 1.00 0.00 C ATOM 570 CD GLN A 35 6.802 -23.288 -5.232 1.00 0.00 C ATOM 571 OE1 GLN A 35 6.269 -23.080 -4.155 1.00 0.00 O ATOM 572 NE2 GLN A 35 6.288 -24.215 -6.004 1.00 0.00 N ATOM 0 H GLN A 35 9.000 -20.272 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 35 8.036 -22.273 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.118 -20.661 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.672 -21.285 -5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.687 -21.943 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.741 -23.247 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.709 -24.414 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.467 -24.737 -5.697 1.00 0.00 H new ATOM 581 N GLU A 36 9.942 -23.851 -1.970 1.00 0.00 N ATOM 582 CA GLU A 36 10.456 -25.175 -1.626 1.00 0.00 C ATOM 583 C GLU A 36 9.828 -25.681 -0.312 1.00 0.00 C ATOM 584 O GLU A 36 9.311 -24.912 0.494 1.00 0.00 O ATOM 585 CB GLU A 36 11.999 -25.125 -1.557 1.00 0.00 C ATOM 586 CG GLU A 36 12.609 -26.533 -1.443 1.00 0.00 C ATOM 587 CD GLU A 36 14.139 -26.578 -1.385 1.00 0.00 C ATOM 588 OE1 GLU A 36 14.744 -25.570 -0.971 1.00 0.00 O ATOM 589 OE2 GLU A 36 14.672 -27.716 -1.401 1.00 0.00 O ATOM 0 H GLU A 36 9.824 -23.243 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 36 10.176 -25.889 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.387 -24.631 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.306 -24.525 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.213 -27.012 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.276 -27.126 -2.295 1.00 0.00 H new ATOM 596 N VAL A 37 9.920 -26.991 -0.070 1.00 0.00 N ATOM 597 CA VAL A 37 9.603 -27.719 1.174 1.00 0.00 C ATOM 598 C VAL A 37 10.033 -27.022 2.478 1.00 0.00 C ATOM 599 O VAL A 37 9.401 -27.257 3.504 1.00 0.00 O ATOM 600 CB VAL A 37 10.248 -29.125 1.082 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.207 -29.957 2.371 1.00 0.00 C ATOM 602 CG2 VAL A 37 9.612 -29.954 -0.046 1.00 0.00 C ATOM 0 H VAL A 37 10.245 -27.629 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 37 8.516 -27.765 1.240 1.00 0.00 H new ATOM 0 HB VAL A 37 11.298 -28.912 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.684 -30.921 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.737 -29.428 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.171 -30.114 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.084 -30.935 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.546 -30.072 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.755 -29.443 -0.998 1.00 0.00 H new ATOM 612 N LYS A 38 11.094 -26.195 2.478 1.00 0.00 N ATOM 613 CA LYS A 38 11.597 -25.520 3.693 1.00 0.00 C ATOM 614 C LYS A 38 10.704 -24.368 4.175 1.00 0.00 C ATOM 615 O LYS A 38 10.816 -24.015 5.340 1.00 0.00 O ATOM 616 CB LYS A 38 12.992 -24.901 3.476 1.00 0.00 C ATOM 617 CG LYS A 38 13.933 -25.519 2.447 1.00 0.00 C ATOM 618 CD LYS A 38 14.528 -26.902 2.759 1.00 0.00 C ATOM 619 CE LYS A 38 15.082 -27.259 1.384 1.00 0.00 C ATOM 620 NZ LYS A 38 15.826 -28.516 1.208 1.00 0.00 N ATOM 0 H LYS A 38 11.628 -25.974 1.637 1.00 0.00 H new ATOM 0 HA LYS A 38 11.617 -26.317 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.847 -23.856 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.507 -24.909 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.395 -25.591 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.760 -24.826 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.303 -26.861 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.777 -27.612 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.243 -27.275 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.738 -26.445 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.780 -28.810 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.819 -28.373 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.406 -29.255 1.807 1.00 0.00 H new ATOM 634 N ASN A 39 9.951 -23.778 3.242 1.00 0.00 N ATOM 635 CA ASN A 39 9.111 -22.568 3.227 1.00 0.00 C ATOM 636 C ASN A 39 9.091 -21.523 4.376 1.00 0.00 C ATOM 637 O ASN A 39 8.915 -20.349 4.066 1.00 0.00 O ATOM 638 CB ASN A 39 7.707 -23.019 2.850 1.00 0.00 C ATOM 639 CG ASN A 39 6.853 -23.429 4.016 1.00 0.00 C ATOM 640 OD1 ASN A 39 7.284 -24.069 4.956 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.610 -23.052 3.917 1.00 0.00 N ATOM 0 H ASN A 39 9.910 -24.214 2.321 1.00 0.00 H new ATOM 0 HA ASN A 39 9.632 -21.933 2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.209 -22.209 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.781 -23.857 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.944 -23.293 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.303 -22.516 3.105 1.00 0.00 H new ATOM 648 N ALA A 40 9.198 -21.921 5.645 1.00 0.00 N ATOM 649 CA ALA A 40 8.979 -21.152 6.873 1.00 0.00 C ATOM 650 C ALA A 40 10.053 -20.080 7.222 1.00 0.00 C ATOM 651 O ALA A 40 10.572 -19.382 6.354 1.00 0.00 O ATOM 652 CB ALA A 40 8.772 -22.191 7.987 1.00 0.00 C ATOM 0 H ALA A 40 9.466 -22.881 5.860 1.00 0.00 H new ATOM 0 HA ALA A 40 8.104 -20.516 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.603 -21.680 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.908 -22.811 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.659 -22.820 8.067 1.00 0.00 H new ATOM 658 N MET A 41 10.319 -19.863 8.522 1.00 0.00 N ATOM 659 CA MET A 41 11.102 -18.731 9.084 1.00 0.00 C ATOM 660 C MET A 41 10.493 -17.344 8.768 1.00 0.00 C ATOM 661 O MET A 41 11.125 -16.307 8.955 1.00 0.00 O ATOM 662 CB MET A 41 12.595 -18.819 8.706 1.00 0.00 C ATOM 663 CG MET A 41 13.224 -20.171 9.062 1.00 0.00 C ATOM 664 SD MET A 41 15.031 -20.209 8.896 1.00 0.00 S ATOM 665 CE MET A 41 15.339 -21.940 9.328 1.00 0.00 C ATOM 0 H MET A 41 9.982 -20.496 9.248 1.00 0.00 H new ATOM 0 HA MET A 41 11.040 -18.833 10.167 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.704 -18.644 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.141 -18.025 9.216 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.958 -20.425 10.088 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.794 -20.941 8.421 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.409 -22.143 9.278 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.980 -22.132 10.339 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.814 -22.589 8.627 1.00 0.00 H new ATOM 675 N THR A 42 9.240 -17.359 8.318 1.00 0.00 N ATOM 676 CA THR A 42 8.396 -16.292 7.767 1.00 0.00 C ATOM 677 C THR A 42 6.948 -16.646 8.114 1.00 0.00 C ATOM 678 O THR A 42 6.693 -17.717 8.666 1.00 0.00 O ATOM 679 CB THR A 42 8.538 -16.239 6.228 1.00 0.00 C ATOM 680 OG1 THR A 42 8.593 -17.540 5.673 1.00 0.00 O ATOM 681 CG2 THR A 42 9.805 -15.487 5.825 1.00 0.00 C ATOM 0 H THR A 42 8.721 -18.237 8.332 1.00 0.00 H new ATOM 0 HA THR A 42 8.688 -15.326 8.178 1.00 0.00 H new ATOM 0 HB THR A 42 7.661 -15.718 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.436 -17.970 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.883 -15.463 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.761 -14.468 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.676 -15.993 6.240 1.00 0.00 H new ATOM 689 N GLU A 43 5.980 -15.795 7.762 1.00 0.00 N ATOM 690 CA GLU A 43 4.545 -16.136 7.837 1.00 0.00 C ATOM 691 C GLU A 43 4.107 -17.413 7.093 1.00 0.00 C ATOM 692 O GLU A 43 2.962 -17.810 7.199 1.00 0.00 O ATOM 693 CB GLU A 43 3.710 -14.953 7.333 1.00 0.00 C ATOM 694 CG GLU A 43 4.039 -14.498 5.902 1.00 0.00 C ATOM 695 CD GLU A 43 4.360 -13.005 5.866 1.00 0.00 C ATOM 696 OE1 GLU A 43 5.473 -12.673 6.321 1.00 0.00 O ATOM 697 OE2 GLU A 43 3.497 -12.211 5.422 1.00 0.00 O ATOM 0 H GLU A 43 6.162 -14.852 7.417 1.00 0.00 H new ATOM 0 HA GLU A 43 4.370 -16.349 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.655 -15.224 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.853 -14.110 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.888 -15.066 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.195 -14.709 5.246 1.00 0.00 H new ATOM 704 N THR A 44 4.964 -18.017 6.286 1.00 0.00 N ATOM 705 CA THR A 44 4.729 -19.200 5.446 1.00 0.00 C ATOM 706 C THR A 44 4.267 -20.448 6.207 1.00 0.00 C ATOM 707 O THR A 44 5.058 -21.224 6.732 1.00 0.00 O ATOM 708 CB THR A 44 5.886 -19.463 4.483 1.00 0.00 C ATOM 709 OG1 THR A 44 6.531 -18.263 4.114 1.00 0.00 O ATOM 710 CG2 THR A 44 5.287 -19.971 3.180 1.00 0.00 C ATOM 0 H THR A 44 5.919 -17.673 6.187 1.00 0.00 H new ATOM 0 HA THR A 44 3.865 -18.946 4.832 1.00 0.00 H new ATOM 0 HB THR A 44 6.578 -20.150 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.179 -18.014 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.086 -20.170 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.731 -20.890 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.614 -19.218 2.771 1.00 0.00 H new ATOM 718 N LEU A 45 2.943 -20.622 6.186 1.00 0.00 N ATOM 719 CA LEU A 45 2.132 -21.530 7.007 1.00 0.00 C ATOM 720 C LEU A 45 1.354 -22.612 6.219 1.00 0.00 C ATOM 721 O LEU A 45 0.397 -23.182 6.735 1.00 0.00 O ATOM 722 CB LEU A 45 1.259 -20.649 7.937 1.00 0.00 C ATOM 723 CG LEU A 45 0.465 -19.490 7.276 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.862 -19.904 6.664 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.202 -18.373 8.285 1.00 0.00 C ATOM 0 H LEU A 45 2.361 -20.088 5.541 1.00 0.00 H new ATOM 0 HA LEU A 45 2.791 -22.156 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.547 -21.298 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.906 -20.221 8.703 1.00 0.00 H new ATOM 0 HG LEU A 45 1.102 -19.146 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.348 -19.033 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.688 -20.651 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.503 -20.326 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.355 -17.570 7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.378 -18.766 9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.151 -17.985 8.653 1.00 0.00 H new ATOM 737 N LEU A 46 1.730 -22.845 4.952 1.00 0.00 N ATOM 738 CA LEU A 46 1.129 -23.753 3.949 1.00 0.00 C ATOM 739 C LEU A 46 1.968 -23.749 2.644 1.00 0.00 C ATOM 740 O LEU A 46 2.898 -22.955 2.565 1.00 0.00 O ATOM 741 CB LEU A 46 -0.349 -23.400 3.731 1.00 0.00 C ATOM 742 CG LEU A 46 -0.698 -22.047 3.099 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.112 -21.682 3.528 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.195 -20.830 3.312 1.00 0.00 C ATOM 0 H LEU A 46 2.538 -22.359 4.562 1.00 0.00 H new ATOM 0 HA LEU A 46 1.148 -24.778 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.786 -24.179 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.847 -23.451 4.699 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.551 -22.245 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.388 -20.722 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.806 -22.449 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.156 -21.613 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.224 -19.974 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.255 -20.605 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.193 -21.040 2.928 1.00 0.00 H new ATOM 756 N VAL A 47 1.699 -24.610 1.640 1.00 0.00 N ATOM 757 CA VAL A 47 2.558 -24.862 0.457 1.00 0.00 C ATOM 758 C VAL A 47 1.734 -25.228 -0.791 1.00 0.00 C ATOM 759 O VAL A 47 0.890 -26.113 -0.699 1.00 0.00 O ATOM 760 CB VAL A 47 3.516 -26.054 0.737 1.00 0.00 C ATOM 761 CG1 VAL A 47 4.598 -26.174 -0.343 1.00 0.00 C ATOM 762 CG2 VAL A 47 4.235 -25.971 2.084 1.00 0.00 C ATOM 0 H VAL A 47 0.847 -25.171 1.628 1.00 0.00 H new ATOM 0 HA VAL A 47 3.108 -23.939 0.272 1.00 0.00 H new ATOM 0 HB VAL A 47 2.860 -26.925 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.249 -27.018 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.127 -26.332 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.188 -25.258 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.884 -26.838 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.834 -25.061 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.500 -25.954 2.888 1.00 0.00 H new ATOM 772 N GLN A 48 2.004 -24.645 -1.972 1.00 0.00 N ATOM 773 CA GLN A 48 1.373 -25.011 -3.262 1.00 0.00 C ATOM 774 C GLN A 48 1.194 -26.517 -3.533 1.00 0.00 C ATOM 775 O GLN A 48 0.152 -26.912 -4.046 1.00 0.00 O ATOM 776 CB GLN A 48 2.167 -24.402 -4.439 1.00 0.00 C ATOM 777 CG GLN A 48 1.724 -22.972 -4.747 1.00 0.00 C ATOM 778 CD GLN A 48 2.437 -22.363 -5.963 1.00 0.00 C ATOM 779 OE1 GLN A 48 3.625 -22.099 -5.954 1.00 0.00 O ATOM 780 NE2 GLN A 48 1.769 -22.064 -7.055 1.00 0.00 N ATOM 0 H GLN A 48 2.682 -23.888 -2.063 1.00 0.00 H new ATOM 0 HA GLN A 48 0.367 -24.600 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.231 -24.409 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.034 -25.022 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.648 -22.962 -4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.910 -22.346 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.771 -22.265 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.249 -21.631 -7.844 1.00 0.00 H new ATOM 789 N ASN A 49 2.167 -27.371 -3.181 1.00 0.00 N ATOM 790 CA ASN A 49 2.125 -28.819 -3.462 1.00 0.00 C ATOM 791 C ASN A 49 1.144 -29.611 -2.555 1.00 0.00 C ATOM 792 O ASN A 49 1.254 -30.832 -2.427 1.00 0.00 O ATOM 793 CB ASN A 49 3.559 -29.383 -3.395 1.00 0.00 C ATOM 794 CG ASN A 49 3.778 -30.548 -4.337 1.00 0.00 C ATOM 795 OD1 ASN A 49 4.241 -30.403 -5.452 1.00 0.00 O ATOM 796 ND2 ASN A 49 3.463 -31.734 -3.906 1.00 0.00 N ATOM 0 H ASN A 49 3.011 -27.077 -2.690 1.00 0.00 H new ATOM 0 HA ASN A 49 1.724 -28.949 -4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.268 -28.590 -3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.771 -29.702 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.604 -32.548 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.075 -31.850 -2.970 1.00 0.00 H new ATOM 803 N ALA A 50 0.234 -28.929 -1.853 1.00 0.00 N ATOM 804 CA ALA A 50 -0.781 -29.541 -1.004 1.00 0.00 C ATOM 805 C ALA A 50 -1.669 -30.526 -1.796 1.00 0.00 C ATOM 806 O ALA A 50 -2.258 -30.185 -2.823 1.00 0.00 O ATOM 807 CB ALA A 50 -1.589 -28.413 -0.353 1.00 0.00 C ATOM 0 H ALA A 50 0.185 -27.910 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.310 -30.142 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.358 -28.841 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.925 -27.787 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.059 -27.808 -1.128 1.00 0.00 H new ATOM 813 N ASN A 51 -1.855 -31.732 -1.272 1.00 0.00 N ATOM 814 CA ASN A 51 -2.489 -32.877 -1.944 1.00 0.00 C ATOM 815 C ASN A 51 -3.957 -33.017 -1.436 1.00 0.00 C ATOM 816 O ASN A 51 -4.404 -32.101 -0.744 1.00 0.00 O ATOM 817 CB ASN A 51 -1.563 -34.085 -1.686 1.00 0.00 C ATOM 818 CG ASN A 51 -1.795 -34.675 -0.315 1.00 0.00 C ATOM 819 OD1 ASN A 51 -2.064 -33.956 0.635 1.00 0.00 O ATOM 820 ND2 ASN A 51 -1.820 -35.975 -0.190 1.00 0.00 N ATOM 0 H ASN A 51 -1.556 -31.956 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.591 -32.770 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.737 -34.847 -2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.522 -33.774 -1.778 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.065 -36.397 0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.594 -36.569 -0.988 1.00 0.00 H new ATOM 827 N PRO A 52 -4.772 -34.043 -1.759 1.00 0.00 N ATOM 828 CA PRO A 52 -6.125 -34.120 -1.186 1.00 0.00 C ATOM 829 C PRO A 52 -6.098 -34.350 0.338 1.00 0.00 C ATOM 830 O PRO A 52 -6.877 -33.741 1.074 1.00 0.00 O ATOM 831 CB PRO A 52 -6.829 -35.253 -1.940 1.00 0.00 C ATOM 832 CG PRO A 52 -5.686 -36.150 -2.412 1.00 0.00 C ATOM 833 CD PRO A 52 -4.519 -35.185 -2.630 1.00 0.00 C ATOM 0 HA PRO A 52 -6.662 -33.179 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.520 -35.794 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.410 -34.872 -2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.442 -36.909 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.945 -36.676 -3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.569 -35.660 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.460 -34.874 -3.673 1.00 0.00 H new ATOM 841 N ASP A 53 -5.160 -35.180 0.794 1.00 0.00 N ATOM 842 CA ASP A 53 -5.009 -35.618 2.183 1.00 0.00 C ATOM 843 C ASP A 53 -4.764 -34.455 3.165 1.00 0.00 C ATOM 844 O ASP A 53 -5.573 -34.243 4.066 1.00 0.00 O ATOM 845 CB ASP A 53 -3.857 -36.624 2.192 1.00 0.00 C ATOM 846 CG ASP A 53 -3.798 -37.435 3.469 1.00 0.00 C ATOM 847 OD1 ASP A 53 -4.731 -38.234 3.672 1.00 0.00 O ATOM 848 OD2 ASP A 53 -2.794 -37.245 4.189 1.00 0.00 O ATOM 0 H ASP A 53 -4.453 -35.584 0.179 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.936 -36.072 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.963 -37.299 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.915 -36.092 2.061 1.00 0.00 H new ATOM 853 N CYS A 54 -3.730 -33.626 2.926 1.00 0.00 N ATOM 854 CA CYS A 54 -3.370 -32.474 3.769 1.00 0.00 C ATOM 855 C CYS A 54 -4.595 -31.612 4.048 1.00 0.00 C ATOM 856 O CYS A 54 -4.996 -31.429 5.192 1.00 0.00 O ATOM 857 CB CYS A 54 -2.208 -31.680 3.114 1.00 0.00 C ATOM 858 SG CYS A 54 -2.397 -29.870 3.034 1.00 0.00 S ATOM 0 H CYS A 54 -3.110 -33.742 2.125 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.012 -32.826 4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.292 -31.903 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.071 -32.053 2.099 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.350 -29.349 2.465 1.00 0.00 H new ATOM 864 N LYS A 55 -5.263 -31.143 2.998 1.00 0.00 N ATOM 865 CA LYS A 55 -6.434 -30.277 3.144 1.00 0.00 C ATOM 866 C LYS A 55 -7.511 -30.900 4.025 1.00 0.00 C ATOM 867 O LYS A 55 -8.004 -30.233 4.929 1.00 0.00 O ATOM 868 CB LYS A 55 -6.994 -29.974 1.765 1.00 0.00 C ATOM 869 CG LYS A 55 -6.238 -28.817 1.076 1.00 0.00 C ATOM 870 CD LYS A 55 -5.181 -29.178 0.020 1.00 0.00 C ATOM 871 CE LYS A 55 -5.869 -29.655 -1.266 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.927 -29.680 -2.413 1.00 0.00 N ATOM 0 H LYS A 55 -5.013 -31.348 2.031 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.118 -29.358 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.933 -30.868 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.050 -29.717 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.976 -28.170 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.749 -28.228 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.555 -28.311 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.524 -29.959 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.281 -30.652 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.707 -28.997 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.220 -30.416 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.932 -28.754 -2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.967 -29.887 -2.070 1.00 0.00 H new ATOM 886 N THR A 56 -7.815 -32.175 3.785 1.00 0.00 N ATOM 887 CA THR A 56 -8.776 -32.972 4.560 1.00 0.00 C ATOM 888 C THR A 56 -8.389 -33.073 6.040 1.00 0.00 C ATOM 889 O THR A 56 -9.262 -33.193 6.899 1.00 0.00 O ATOM 890 CB THR A 56 -8.910 -34.375 3.939 1.00 0.00 C ATOM 891 OG1 THR A 56 -9.135 -34.251 2.549 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.095 -35.171 4.483 1.00 0.00 C ATOM 0 H THR A 56 -7.388 -32.702 3.023 1.00 0.00 H new ATOM 0 HA THR A 56 -9.738 -32.462 4.519 1.00 0.00 H new ATOM 0 HB THR A 56 -7.985 -34.896 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.275 -34.181 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.128 -36.148 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.983 -35.300 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.020 -34.633 4.276 1.00 0.00 H new ATOM 900 N ILE A 57 -7.095 -32.951 6.346 1.00 0.00 N ATOM 901 CA ILE A 57 -6.549 -33.132 7.706 1.00 0.00 C ATOM 902 C ILE A 57 -6.401 -31.808 8.449 1.00 0.00 C ATOM 903 O ILE A 57 -7.054 -31.619 9.480 1.00 0.00 O ATOM 904 CB ILE A 57 -5.205 -33.890 7.661 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.457 -35.349 7.232 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.470 -33.868 9.020 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.193 -35.962 6.643 1.00 0.00 C ATOM 0 H ILE A 57 -6.383 -32.721 5.653 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.268 -33.733 8.263 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.565 -33.384 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.785 -35.934 8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.261 -35.384 6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.531 -34.415 8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.265 -32.836 9.306 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.095 -34.337 9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.392 -36.992 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.882 -35.387 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.399 -35.946 7.390 1.00 0.00 H new ATOM 919 N LEU A 58 -5.572 -30.872 7.959 1.00 0.00 N ATOM 920 CA LEU A 58 -5.329 -29.590 8.636 1.00 0.00 C ATOM 921 C LEU A 58 -6.617 -28.787 8.832 1.00 0.00 C ATOM 922 O LEU A 58 -6.696 -28.007 9.783 1.00 0.00 O ATOM 923 CB LEU A 58 -4.225 -28.769 7.964 1.00 0.00 C ATOM 924 CG LEU A 58 -2.882 -29.524 7.897 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.756 -30.380 6.645 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.727 -28.532 7.914 1.00 0.00 C ATOM 0 H LEU A 58 -5.054 -30.983 7.087 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.960 -29.834 9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.539 -28.503 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.087 -27.837 8.511 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.849 -30.180 8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.792 -30.889 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.557 -31.119 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.828 -29.745 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.782 -29.073 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.807 -27.865 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.764 -27.946 8.833 1.00 0.00 H new ATOM 938 N LYS A 59 -7.648 -29.115 8.033 1.00 0.00 N ATOM 939 CA LYS A 59 -9.056 -28.725 8.248 1.00 0.00 C ATOM 940 C LYS A 59 -9.489 -28.725 9.721 1.00 0.00 C ATOM 941 O LYS A 59 -10.226 -27.846 10.152 1.00 0.00 O ATOM 942 CB LYS A 59 -9.960 -29.690 7.472 1.00 0.00 C ATOM 943 CG LYS A 59 -10.582 -29.083 6.213 1.00 0.00 C ATOM 944 CD LYS A 59 -11.973 -28.447 6.427 1.00 0.00 C ATOM 945 CE LYS A 59 -13.065 -29.417 6.918 1.00 0.00 C ATOM 946 NZ LYS A 59 -14.360 -28.727 7.161 1.00 0.00 N ATOM 0 H LYS A 59 -7.521 -29.677 7.192 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.150 -27.698 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.380 -30.569 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.758 -30.033 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.906 -28.324 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.665 -29.860 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.878 -27.636 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.300 -28.001 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.208 -30.205 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.734 -29.899 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.995 -29.357 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.194 -27.860 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.798 -28.481 6.251 1.00 0.00 H new ATOM 960 N ALA A 60 -8.992 -29.703 10.474 1.00 0.00 N ATOM 961 CA ALA A 60 -9.112 -29.787 11.927 1.00 0.00 C ATOM 962 C ALA A 60 -7.748 -29.730 12.644 1.00 0.00 C ATOM 963 O ALA A 60 -7.687 -29.374 13.822 1.00 0.00 O ATOM 964 CB ALA A 60 -9.868 -31.079 12.261 1.00 0.00 C ATOM 0 H ALA A 60 -8.476 -30.487 10.075 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.662 -28.919 12.290 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.973 -31.170 13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.856 -31.052 11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.313 -31.935 11.878 1.00 0.00 H new ATOM 970 N LEU A 61 -6.643 -30.036 11.954 1.00 0.00 N ATOM 971 CA LEU A 61 -5.309 -30.092 12.548 1.00 0.00 C ATOM 972 C LEU A 61 -4.619 -28.722 12.565 1.00 0.00 C ATOM 973 O LEU A 61 -3.543 -28.517 12.003 1.00 0.00 O ATOM 974 CB LEU A 61 -4.458 -31.246 11.977 1.00 0.00 C ATOM 975 CG LEU A 61 -3.676 -31.925 13.120 1.00 0.00 C ATOM 976 CD1 LEU A 61 -4.570 -32.888 13.905 1.00 0.00 C ATOM 977 CD2 LEU A 61 -2.487 -32.722 12.608 1.00 0.00 C ATOM 0 H LEU A 61 -6.654 -30.253 10.957 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.431 -30.345 13.601 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.100 -31.973 11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.766 -30.864 11.226 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.326 -31.116 13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.992 -33.352 14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.407 -32.338 14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.948 -33.661 13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.968 -33.181 13.449 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.836 -33.499 11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.804 -32.057 12.079 1.00 0.00 H new ATOM 989 N GLY A 62 -5.244 -27.796 13.291 1.00 0.00 N ATOM 990 CA GLY A 62 -4.665 -26.511 13.672 1.00 0.00 C ATOM 991 C GLY A 62 -4.474 -26.347 15.186 1.00 0.00 C ATOM 992 O GLY A 62 -4.842 -25.282 15.686 1.00 0.00 O ATOM 0 H GLY A 62 -6.194 -27.924 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.700 -26.396 13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.308 -25.710 13.307 1.00 0.00 H new ATOM 996 N PRO A 63 -3.881 -27.309 15.935 1.00 0.00 N ATOM 997 CA PRO A 63 -3.530 -27.153 17.352 1.00 0.00 C ATOM 998 C PRO A 63 -2.274 -26.266 17.509 1.00 0.00 C ATOM 999 O PRO A 63 -1.323 -26.634 18.191 1.00 0.00 O ATOM 1000 CB PRO A 63 -3.319 -28.589 17.850 1.00 0.00 C ATOM 1001 CG PRO A 63 -2.632 -29.243 16.654 1.00 0.00 C ATOM 1002 CD PRO A 63 -3.349 -28.591 15.472 1.00 0.00 C ATOM 0 HA PRO A 63 -4.299 -26.647 17.935 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.699 -28.623 18.746 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.262 -29.078 18.096 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.561 -29.043 16.641 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.754 -30.326 16.657 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.661 -28.443 14.640 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.153 -29.232 15.110 1.00 0.00 H new ATOM 1010 N ALA A 64 -2.232 -25.149 16.776 1.00 0.00 N ATOM 1011 CA ALA A 64 -1.144 -24.181 16.602 1.00 0.00 C ATOM 1012 C ALA A 64 0.258 -24.689 16.188 1.00 0.00 C ATOM 1013 O ALA A 64 1.015 -23.878 15.672 1.00 0.00 O ATOM 1014 CB ALA A 64 -1.077 -23.297 17.855 1.00 0.00 C ATOM 0 H ALA A 64 -3.048 -24.871 16.231 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.423 -23.627 15.706 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.273 -22.570 17.745 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.025 -22.774 17.982 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.886 -23.919 18.729 1.00 0.00 H new ATOM 1020 N ALA A 65 0.595 -25.976 16.334 1.00 0.00 N ATOM 1021 CA ALA A 65 1.978 -26.455 16.201 1.00 0.00 C ATOM 1022 C ALA A 65 2.151 -27.635 15.236 1.00 0.00 C ATOM 1023 O ALA A 65 3.000 -27.566 14.359 1.00 0.00 O ATOM 1024 CB ALA A 65 2.492 -26.802 17.604 1.00 0.00 C ATOM 0 H ALA A 65 -0.078 -26.712 16.547 1.00 0.00 H new ATOM 0 HA ALA A 65 2.567 -25.655 15.752 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.519 -27.161 17.537 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.459 -25.913 18.234 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.864 -27.579 18.040 1.00 0.00 H new ATOM 1030 N THR A 66 1.333 -28.695 15.301 1.00 0.00 N ATOM 1031 CA THR A 66 1.489 -29.841 14.372 1.00 0.00 C ATOM 1032 C THR A 66 1.352 -29.449 12.891 1.00 0.00 C ATOM 1033 O THR A 66 1.836 -30.147 12.012 1.00 0.00 O ATOM 1034 CB THR A 66 0.514 -30.985 14.695 1.00 0.00 C ATOM 1035 OG1 THR A 66 0.378 -31.158 16.090 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.988 -32.323 14.131 1.00 0.00 C ATOM 0 H THR A 66 0.569 -28.790 15.970 1.00 0.00 H new ATOM 0 HA THR A 66 2.510 -30.190 14.528 1.00 0.00 H new ATOM 0 HB THR A 66 -0.434 -30.701 14.238 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.248 -31.890 16.269 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.267 -33.100 14.384 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.077 -32.250 13.047 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.959 -32.575 14.558 1.00 0.00 H new ATOM 1044 N LEU A 67 0.741 -28.302 12.579 1.00 0.00 N ATOM 1045 CA LEU A 67 0.726 -27.756 11.216 1.00 0.00 C ATOM 1046 C LEU A 67 2.128 -27.698 10.600 1.00 0.00 C ATOM 1047 O LEU A 67 2.296 -28.096 9.462 1.00 0.00 O ATOM 1048 CB LEU A 67 0.079 -26.376 11.265 1.00 0.00 C ATOM 1049 CG LEU A 67 -0.333 -25.672 9.941 1.00 0.00 C ATOM 1050 CD1 LEU A 67 -0.372 -24.172 10.222 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.585 -25.917 8.768 1.00 0.00 C ATOM 0 H LEU A 67 0.245 -27.727 13.260 1.00 0.00 H new ATOM 0 HA LEU A 67 0.147 -28.416 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.815 -26.457 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.768 -25.712 11.787 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.296 -26.090 9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.658 -23.639 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.100 -23.968 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.614 -23.836 10.544 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.210 -25.383 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.586 -25.561 9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.622 -26.985 8.552 1.00 0.00 H new ATOM 1063 N GLU A 68 3.127 -27.242 11.340 1.00 0.00 N ATOM 1064 CA GLU A 68 4.518 -27.106 10.875 1.00 0.00 C ATOM 1065 C GLU A 68 5.036 -28.306 10.065 1.00 0.00 C ATOM 1066 O GLU A 68 5.697 -28.119 9.045 1.00 0.00 O ATOM 1067 CB GLU A 68 5.452 -26.940 12.082 1.00 0.00 C ATOM 1068 CG GLU A 68 5.084 -25.810 13.042 1.00 0.00 C ATOM 1069 CD GLU A 68 5.839 -24.513 12.742 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.070 -24.471 12.959 1.00 0.00 O ATOM 1071 OE2 GLU A 68 5.167 -23.575 12.256 1.00 0.00 O ATOM 0 H GLU A 68 3.000 -26.946 12.308 1.00 0.00 H new ATOM 0 HA GLU A 68 4.517 -26.235 10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.469 -27.877 12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.464 -26.769 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.012 -25.624 12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.298 -26.122 14.064 1.00 0.00 H new ATOM 1078 N GLU A 69 4.693 -29.536 10.473 1.00 0.00 N ATOM 1079 CA GLU A 69 4.970 -30.704 9.619 1.00 0.00 C ATOM 1080 C GLU A 69 3.930 -30.864 8.503 1.00 0.00 C ATOM 1081 O GLU A 69 4.268 -31.105 7.342 1.00 0.00 O ATOM 1082 CB GLU A 69 5.098 -31.998 10.442 1.00 0.00 C ATOM 1083 CG GLU A 69 3.806 -32.522 11.079 1.00 0.00 C ATOM 1084 CD GLU A 69 4.018 -33.879 11.755 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.099 -34.876 11.004 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.082 -33.900 13.006 1.00 0.00 O ATOM 0 H GLU A 69 4.237 -29.747 11.361 1.00 0.00 H new ATOM 0 HA GLU A 69 5.933 -30.517 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.503 -32.777 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.828 -31.830 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.444 -31.802 11.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.034 -32.613 10.315 1.00 0.00 H new ATOM 1093 N MET A 70 2.650 -30.688 8.836 1.00 0.00 N ATOM 1094 CA MET A 70 1.508 -30.986 7.966 1.00 0.00 C ATOM 1095 C MET A 70 1.451 -30.110 6.709 1.00 0.00 C ATOM 1096 O MET A 70 0.918 -30.519 5.677 1.00 0.00 O ATOM 1097 CB MET A 70 0.236 -30.807 8.756 1.00 0.00 C ATOM 1098 CG MET A 70 0.106 -31.653 9.992 1.00 0.00 C ATOM 1099 SD MET A 70 -0.702 -33.257 9.742 1.00 0.00 S ATOM 1100 CE MET A 70 0.743 -34.342 9.558 1.00 0.00 C ATOM 0 H MET A 70 2.370 -30.323 9.746 1.00 0.00 H new ATOM 0 HA MET A 70 1.625 -32.014 7.624 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.156 -29.759 9.046 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.609 -31.022 8.101 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.101 -31.825 10.403 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.455 -31.093 10.740 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.412 -35.377 9.468 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.299 -34.060 8.664 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.387 -34.242 10.432 1.00 0.00 H new ATOM 1110 N MET A 71 2.055 -28.923 6.820 1.00 0.00 N ATOM 1111 CA MET A 71 2.329 -27.909 5.799 1.00 0.00 C ATOM 1112 C MET A 71 2.775 -28.550 4.490 1.00 0.00 C ATOM 1113 O MET A 71 2.339 -28.141 3.415 1.00 0.00 O ATOM 1114 CB MET A 71 3.423 -26.986 6.374 1.00 0.00 C ATOM 1115 CG MET A 71 3.828 -25.784 5.502 1.00 0.00 C ATOM 1116 SD MET A 71 4.213 -24.327 6.500 1.00 0.00 S ATOM 1117 CE MET A 71 5.573 -24.935 7.534 1.00 0.00 C ATOM 0 H MET A 71 2.402 -28.616 7.729 1.00 0.00 H new ATOM 0 HA MET A 71 1.429 -27.341 5.566 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.081 -26.610 7.338 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.313 -27.587 6.563 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.695 -26.050 4.898 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.019 -25.547 4.811 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.002 -24.105 8.096 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.195 -25.686 8.228 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.341 -25.380 6.901 1.00 0.00 H new ATOM 1127 N THR A 72 3.594 -29.597 4.620 1.00 0.00 N ATOM 1128 CA THR A 72 4.229 -30.309 3.519 1.00 0.00 C ATOM 1129 C THR A 72 4.238 -31.828 3.673 1.00 0.00 C ATOM 1130 O THR A 72 4.419 -32.499 2.664 1.00 0.00 O ATOM 1131 CB THR A 72 5.704 -29.906 3.395 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.996 -28.633 3.940 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.151 -29.867 1.935 1.00 0.00 C ATOM 0 H THR A 72 3.839 -29.983 5.532 1.00 0.00 H new ATOM 0 HA THR A 72 3.633 -30.036 2.648 1.00 0.00 H new ATOM 0 HB THR A 72 6.238 -30.670 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.951 -28.441 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.201 -29.578 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.024 -30.853 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.548 -29.142 1.389 1.00 0.00 H new ATOM 1141 N ALA A 73 4.074 -32.406 4.871 1.00 0.00 N ATOM 1142 CA ALA A 73 4.305 -33.844 5.105 1.00 0.00 C ATOM 1143 C ALA A 73 3.454 -34.738 4.190 1.00 0.00 C ATOM 1144 O ALA A 73 3.901 -35.769 3.689 1.00 0.00 O ATOM 1145 CB ALA A 73 4.042 -34.171 6.581 1.00 0.00 C ATOM 0 H ALA A 73 3.779 -31.896 5.703 1.00 0.00 H new ATOM 0 HA ALA A 73 5.346 -34.056 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.213 -35.234 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.716 -33.588 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.010 -33.924 6.830 1.00 0.00 H new ATOM 1151 N CYS A 74 2.254 -34.264 3.861 1.00 0.00 N ATOM 1152 CA CYS A 74 1.326 -34.980 2.974 1.00 0.00 C ATOM 1153 C CYS A 74 1.779 -34.984 1.490 1.00 0.00 C ATOM 1154 O CYS A 74 1.067 -35.490 0.628 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.081 -34.405 3.181 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.688 -34.756 4.859 1.00 0.00 S ATOM 0 H CYS A 74 1.893 -33.372 4.200 1.00 0.00 H new ATOM 0 HA CYS A 74 1.319 -36.036 3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.066 -33.328 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.764 -34.832 2.447 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.535 -35.741 4.817 1.00 0.00 H new ATOM 1162 N GLN A 75 2.954 -34.436 1.151 1.00 0.00 N ATOM 1163 CA GLN A 75 3.584 -34.615 -0.167 1.00 0.00 C ATOM 1164 C GLN A 75 3.959 -36.087 -0.432 1.00 0.00 C ATOM 1165 O GLN A 75 4.009 -36.517 -1.583 1.00 0.00 O ATOM 1166 CB GLN A 75 4.817 -33.695 -0.287 1.00 0.00 C ATOM 1167 CG GLN A 75 6.019 -34.113 0.591 1.00 0.00 C ATOM 1168 CD GLN A 75 6.972 -35.128 -0.041 1.00 0.00 C ATOM 1169 OE1 GLN A 75 7.201 -36.205 0.473 1.00 0.00 O ATOM 1170 NE2 GLN A 75 7.595 -34.833 -1.160 1.00 0.00 N ATOM 0 H GLN A 75 3.498 -33.852 1.786 1.00 0.00 H new ATOM 0 HA GLN A 75 2.858 -34.335 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.136 -33.671 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.524 -32.680 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.587 -33.219 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.638 -34.529 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.425 -33.937 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.248 -35.500 -1.571 1.00 0.00 H new